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 2bxn_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 0.000 175.309 175.328 -0.032 0.000 0.993 3 H CA 0.000 55.984 56.048 -0.107 0.000 1.023 3 H CB 0.000 29.694 29.762 -0.114 0.000 1.292 4 K N 0.615 121.000 120.400 -0.025 0.000 2.305 4 K HA 0.580 4.901 4.320 0.003 0.000 0.199 4 K C 1.316 177.927 176.600 0.018 0.000 1.047 4 K CA 1.513 57.800 56.287 0.001 0.000 0.976 4 K CB 0.041 32.538 32.500 -0.004 0.000 0.765 4 K HN 1.076 nan 8.250 nan 0.000 0.474 5 S N -0.233 115.476 115.700 0.014 0.000 2.552 5 S HA 0.319 4.791 4.470 0.003 0.000 0.314 5 S C 0.586 175.237 174.600 0.085 0.000 1.099 5 S CA -0.505 57.717 58.200 0.037 0.000 1.070 5 S CB 1.530 64.728 63.200 -0.004 0.000 0.998 5 S HN 0.481 nan 8.310 nan 0.000 0.474 6 E N 3.412 123.680 120.200 0.113 0.000 2.016 6 E HA -0.098 4.254 4.350 0.003 0.000 0.190 6 E C 1.659 178.364 176.600 0.175 0.000 0.985 6 E CA 1.523 58.015 56.400 0.153 0.000 0.802 6 E CB -0.109 29.665 29.700 0.124 0.000 0.762 6 E HN 0.663 nan 8.360 nan 0.000 0.448 7 V N 1.777 121.793 119.914 0.170 0.000 2.250 7 V HA -0.345 3.776 4.120 0.003 0.000 0.250 7 V C 2.554 178.732 176.094 0.140 0.000 1.060 7 V CA 2.119 64.543 62.300 0.206 0.000 1.030 7 V CB -1.344 30.586 31.823 0.178 0.000 0.643 7 V HN 0.445 nan 8.190 nan 0.000 0.445 8 A N -0.851 121.993 122.820 0.040 0.000 1.908 8 A HA -0.326 3.996 4.320 0.003 0.000 0.218 8 A C 2.228 179.912 177.584 0.167 0.000 1.181 8 A CA 2.351 54.401 52.037 0.022 0.000 0.627 8 A CB -1.045 17.930 19.000 -0.041 0.000 0.818 8 A HN 0.790 nan 8.150 nan 0.000 0.445 9 H N -0.987 118.119 119.070 0.060 0.000 2.321 9 H HA -0.114 4.444 4.556 0.003 0.000 0.300 9 H C 2.342 177.726 175.328 0.094 0.000 1.087 9 H CA 1.129 57.217 56.048 0.067 0.000 1.319 9 H CB 0.090 29.885 29.762 0.055 0.000 1.379 9 H HN 0.280 nan 8.280 nan 0.000 0.501 10 R N 0.056 120.636 120.500 0.133 0.000 2.096 10 R HA -0.144 4.197 4.340 0.003 0.000 0.235 10 R C 2.289 178.685 176.300 0.160 0.000 1.127 10 R CA 0.947 57.103 56.100 0.093 0.000 0.968 10 R CB -1.173 29.254 30.300 0.212 0.000 0.861 10 R HN 0.359 nan 8.270 nan 0.000 0.440 11 F N 2.231 122.176 119.950 -0.008 0.000 2.075 11 F HA -0.186 4.343 4.527 0.003 0.000 0.297 11 F C 2.240 177.985 175.800 -0.091 0.000 1.113 11 F CA 1.629 59.484 58.000 -0.241 0.000 1.218 11 F CB -0.046 38.658 39.000 -0.494 0.000 0.984 11 F HN -0.116 nan 8.300 nan 0.000 0.472 12 K N -0.140 120.350 120.400 0.149 0.000 2.009 12 K HA -0.231 4.090 4.320 0.003 0.000 0.210 12 K C 1.478 178.087 176.600 0.015 0.000 1.049 12 K CA 2.027 58.373 56.287 0.099 0.000 0.929 12 K CB -0.557 32.038 32.500 0.158 0.000 0.714 12 K HN 0.466 nan 8.250 nan 0.000 0.440 13 D N -0.307 120.108 120.400 0.025 0.000 2.340 13 D HA -0.039 4.603 4.640 0.003 0.000 0.220 13 D C 1.552 177.831 176.300 -0.035 0.000 1.039 13 D CA 0.353 54.351 54.000 -0.004 0.000 0.866 13 D CB 0.001 40.804 40.800 0.005 0.000 0.913 13 D HN 0.144 nan 8.370 nan 0.000 0.523 14 L N -0.193 120.995 121.223 -0.057 0.000 2.221 14 L HA 0.352 4.693 4.340 0.003 0.000 0.202 14 L C 1.071 177.880 176.870 -0.100 0.000 1.074 14 L CA 0.675 55.489 54.840 -0.043 0.000 0.795 14 L CB -0.197 41.882 42.059 0.032 0.000 0.960 14 L HN 0.346 nan 8.230 nan 0.000 0.458 15 G N -0.098 108.552 108.800 -0.249 0.000 2.617 15 G HA2 -0.191 3.771 3.960 0.003 0.000 0.686 15 G HA3 -0.191 3.771 3.960 0.003 0.000 0.686 15 G C 0.077 174.703 174.900 -0.457 0.000 1.214 15 G CA -0.037 44.875 45.100 -0.314 0.000 0.796 15 G HN 0.179 nan 8.290 nan 0.000 0.654 16 E N -0.104 119.802 120.200 -0.490 0.000 2.038 16 E HA -0.185 4.166 4.350 0.003 0.000 0.195 16 E C 2.192 178.779 176.600 -0.021 0.000 1.000 16 E CA 1.746 57.954 56.400 -0.320 0.000 0.803 16 E CB -0.047 29.637 29.700 -0.027 0.000 0.750 16 E HN 0.546 nan 8.360 nan 0.000 0.448 17 E N 0.745 120.943 120.200 -0.005 0.000 2.049 17 E HA -0.211 4.141 4.350 0.003 0.000 0.198 17 E C 1.878 178.516 176.600 0.063 0.000 1.007 17 E CA 1.053 57.481 56.400 0.047 0.000 0.809 17 E CB -0.563 29.157 29.700 0.033 0.000 0.749 17 E HN 0.328 nan 8.360 nan 0.000 0.450 18 N N 0.223 118.943 118.700 0.034 0.000 2.188 18 N HA -0.122 4.619 4.740 0.003 0.000 0.184 18 N C 1.781 177.328 175.510 0.062 0.000 1.018 18 N CA 0.559 53.632 53.050 0.038 0.000 0.858 18 N CB -0.509 37.986 38.487 0.015 0.000 0.989 18 N HN 0.118 nan 8.380 nan 0.000 0.426 19 F N 2.270 122.171 119.950 -0.082 0.000 2.046 19 F HA -0.170 4.359 4.527 0.003 0.000 0.297 19 F C 2.206 178.035 175.800 0.049 0.000 1.123 19 F CA 1.577 59.555 58.000 -0.037 0.000 1.199 19 F CB -0.099 38.838 39.000 -0.104 0.000 0.972 19 F HN -0.121 nan 8.300 nan 0.000 0.474 20 K N 0.085 120.671 120.400 0.310 0.000 2.113 20 K HA -0.214 4.107 4.320 0.003 0.000 0.208 20 K C 2.218 178.880 176.600 0.104 0.000 1.047 20 K CA 1.457 57.880 56.287 0.227 0.000 0.928 20 K CB -0.560 32.078 32.500 0.230 0.000 0.716 20 K HN 0.404 nan 8.250 nan 0.000 0.446 21 A N 0.856 123.722 122.820 0.077 0.000 1.929 21 A HA -0.072 4.250 4.320 0.003 0.000 0.216 21 A C 2.072 179.664 177.584 0.014 0.000 1.176 21 A CA 1.028 53.104 52.037 0.064 0.000 0.628 21 A CB -0.443 18.596 19.000 0.066 0.000 0.816 21 A HN 0.139 nan 8.150 nan 0.000 0.444 22 L N -0.619 120.567 121.223 -0.061 0.000 2.027 22 L HA -0.142 4.200 4.340 0.003 0.000 0.206 22 L C 2.528 179.307 176.870 -0.152 0.000 1.074 22 L CA 1.051 55.814 54.840 -0.129 0.000 0.745 22 L CB -0.609 41.331 42.059 -0.199 0.000 0.898 22 L HN 0.225 nan 8.230 nan 0.000 0.433 23 V N 0.114 119.899 119.914 -0.215 0.000 2.392 23 V HA -0.311 3.810 4.120 0.003 0.000 0.249 23 V C 2.428 178.594 176.094 0.119 0.000 1.059 23 V CA 1.749 63.974 62.300 -0.125 0.000 1.051 23 V CB -0.443 31.316 31.823 -0.108 0.000 0.658 23 V HN 0.328 nan 8.190 nan 0.000 0.455 24 L N 0.059 121.360 121.223 0.130 0.000 1.989 24 L HA -0.164 4.178 4.340 0.003 0.000 0.211 24 L C 2.182 179.146 176.870 0.156 0.000 1.071 24 L CA 2.025 56.983 54.840 0.197 0.000 0.749 24 L CB -0.548 41.614 42.059 0.172 0.000 0.890 24 L HN 0.234 nan 8.230 nan 0.000 0.431 25 I N -0.397 120.220 120.570 0.079 0.000 2.226 25 I HA -0.310 3.862 4.170 0.003 0.000 0.245 25 I C 2.605 178.737 176.117 0.026 0.000 1.100 25 I CA 1.198 62.523 61.300 0.042 0.000 1.374 25 I CB -0.705 37.302 38.000 0.012 0.000 1.057 25 I HN 0.393 nan 8.210 nan 0.000 0.413 26 A N 0.740 123.552 122.820 -0.013 0.000 1.883 26 A HA -0.222 4.100 4.320 0.003 0.000 0.217 26 A C 2.098 179.786 177.584 0.173 0.000 1.186 26 A CA 1.724 53.730 52.037 -0.051 0.000 0.624 26 A CB -0.962 17.856 19.000 -0.304 0.000 0.822 26 A HN 0.332 nan 8.150 nan 0.000 0.444 27 F N -0.065 120.049 119.950 0.273 0.000 2.206 27 F HA 0.042 4.571 4.527 0.003 0.000 0.298 27 F C 2.733 178.646 175.800 0.187 0.000 1.090 27 F CA 0.615 58.816 58.000 0.335 0.000 1.323 27 F CB -0.539 38.668 39.000 0.344 0.000 1.028 27 F HN 0.248 nan 8.300 nan 0.000 0.492 28 A N -0.662 122.238 122.820 0.133 0.000 2.067 28 A HA -0.190 4.131 4.320 0.003 0.000 0.219 28 A C 2.075 179.662 177.584 0.005 0.000 1.158 28 A CA 1.364 53.339 52.037 -0.102 0.000 0.661 28 A CB -0.602 18.345 19.000 -0.088 0.000 0.801 28 A HN 0.469 nan 8.150 nan 0.000 0.452 29 Q N -2.145 117.666 119.800 0.019 0.000 2.187 29 Q HA -0.078 4.263 4.340 0.003 0.000 0.199 29 Q C 1.499 177.386 176.000 -0.189 0.000 0.957 29 Q CA 1.314 57.034 55.803 -0.137 0.000 0.857 29 Q CB -0.120 28.466 28.738 -0.255 0.000 0.929 29 Q HN 0.866 nan 8.270 nan 0.000 0.453 30 Y N -0.563 119.762 120.300 0.043 0.000 2.343 30 Y HA 0.012 4.564 4.550 0.003 0.000 0.294 30 Y C 0.627 176.512 175.900 -0.025 0.000 1.122 30 Y CA 0.218 58.329 58.100 0.019 0.000 1.173 30 Y CB 0.635 39.115 38.460 0.034 0.000 1.077 30 Y HN -0.008 nan 8.280 nan 0.000 0.542 31 L N 1.571 122.937 121.223 0.238 0.000 2.657 31 L HA 0.209 4.551 4.340 0.003 0.000 0.239 31 L C 0.794 177.896 176.870 0.387 0.000 1.215 31 L CA 0.039 54.987 54.840 0.181 0.000 1.161 31 L CB 0.062 42.282 42.059 0.268 0.000 1.436 31 L HN 0.263 nan 8.230 nan 0.000 0.414 32 Q N -0.542 119.428 119.800 0.284 0.000 2.508 32 Q HA -0.121 4.220 4.340 0.003 0.000 0.214 32 Q C 0.938 177.097 176.000 0.265 0.000 0.979 32 Q CA 0.819 56.746 55.803 0.208 0.000 0.911 32 Q CB 0.259 29.059 28.738 0.103 0.000 0.969 32 Q HN 0.540 nan 8.270 nan 0.000 0.504 33 Q N -0.883 119.169 119.800 0.420 0.000 2.317 33 Q HA 0.097 4.439 4.340 0.003 0.000 0.220 33 Q C 0.389 176.544 176.000 0.258 0.000 0.873 33 Q CA 0.127 56.079 55.803 0.248 0.000 0.936 33 Q CB 0.582 29.325 28.738 0.008 0.000 1.105 33 Q HN 0.280 nan 8.270 nan 0.000 0.520 34 C N 3.856 123.397 119.300 0.401 0.000 2.657 34 C HA 0.283 4.744 4.460 0.003 0.000 0.404 34 C C -1.702 173.456 174.990 0.279 0.000 1.291 34 C CA -0.913 58.239 59.018 0.223 0.000 2.218 34 C CB 0.550 28.284 27.740 -0.010 0.000 2.687 34 C HN 0.271 nan 8.230 nan 0.000 0.634 35 P HA 0.047 nan 4.420 nan 0.000 0.274 35 P C 0.578 177.831 177.300 -0.079 0.000 1.237 35 P CA -0.070 63.083 63.100 0.088 0.000 0.793 35 P CB 0.432 32.139 31.700 0.011 0.000 0.977 36 F N 2.799 122.474 119.950 -0.458 0.000 2.043 36 F HA -0.285 4.243 4.527 0.003 0.000 0.297 36 F C 1.761 177.354 175.800 -0.345 0.000 1.118 36 F CA 2.321 59.844 58.000 -0.796 0.000 1.202 36 F CB -1.075 37.506 39.000 -0.698 0.000 0.965 36 F HN 0.281 nan 8.300 nan 0.000 0.482 37 E N 0.170 120.083 120.200 -0.478 0.000 2.219 37 E HA -0.229 4.123 4.350 0.003 0.000 0.198 37 E C 1.629 177.984 176.600 -0.409 0.000 0.998 37 E CA 1.741 57.861 56.400 -0.466 0.000 0.818 37 E CB -0.825 28.749 29.700 -0.211 0.000 0.741 37 E HN 0.517 nan 8.360 nan 0.000 0.477 38 D N -0.504 119.678 120.400 -0.362 0.000 2.149 38 D HA -0.078 4.564 4.640 0.003 0.000 0.201 38 D C 1.641 177.671 176.300 -0.450 0.000 0.972 38 D CA 0.894 54.674 54.000 -0.367 0.000 0.835 38 D CB -0.065 40.523 40.800 -0.353 0.000 0.966 38 D HN 0.304 nan 8.370 nan 0.000 0.476 39 H N -0.188 118.677 119.070 -0.343 0.000 2.389 39 H HA -0.001 4.557 4.556 0.003 0.000 0.299 39 H C 2.166 177.310 175.328 -0.306 0.000 1.081 39 H CA 0.640 56.514 56.048 -0.290 0.000 1.345 39 H CB -0.168 29.498 29.762 -0.161 0.000 1.393 39 H HN 0.055 nan 8.280 nan 0.000 0.520 40 V N 1.299 121.001 119.914 -0.353 0.000 2.392 40 V HA -0.244 3.878 4.120 0.003 0.000 0.249 40 V C 2.584 178.564 176.094 -0.190 0.000 1.059 40 V CA 1.803 63.916 62.300 -0.311 0.000 1.051 40 V CB -0.395 31.138 31.823 -0.484 0.000 0.658 40 V HN 0.317 nan 8.190 nan 0.000 0.455 41 K N -0.037 120.230 120.400 -0.221 0.000 2.025 41 K HA -0.111 4.211 4.320 0.003 0.000 0.207 41 K C 2.163 178.675 176.600 -0.147 0.000 1.049 41 K CA 1.341 57.528 56.287 -0.167 0.000 0.933 41 K CB -0.174 32.215 32.500 -0.184 0.000 0.714 41 K HN 0.386 nan 8.250 nan 0.000 0.438 42 L N 0.637 121.726 121.223 -0.223 0.000 2.012 42 L HA -0.217 4.125 4.340 0.003 0.000 0.210 42 L C 2.435 179.269 176.870 -0.060 0.000 1.073 42 L CA 1.078 55.762 54.840 -0.259 0.000 0.748 42 L CB -0.602 41.080 42.059 -0.629 0.000 0.891 42 L HN 0.047 nan 8.230 nan 0.000 0.431 43 V N 0.341 120.260 119.914 0.010 0.000 2.252 43 V HA -0.329 3.793 4.120 0.003 0.000 0.249 43 V C 2.315 178.501 176.094 0.154 0.000 1.056 43 V CA 2.150 64.537 62.300 0.146 0.000 1.022 43 V CB -0.741 31.160 31.823 0.130 0.000 0.641 43 V HN 0.506 nan 8.190 nan 0.000 0.445 44 N N 0.027 118.772 118.700 0.076 0.000 2.104 44 N HA -0.189 4.553 4.740 0.003 0.000 0.190 44 N C 1.833 177.396 175.510 0.088 0.000 1.024 44 N CA 1.673 54.769 53.050 0.077 0.000 0.853 44 N CB -0.341 38.158 38.487 0.020 0.000 1.008 44 N HN 0.627 nan 8.380 nan 0.000 0.424 45 E N 0.198 120.432 120.200 0.057 0.000 2.077 45 E HA -0.081 4.271 4.350 0.003 0.000 0.193 45 E C 1.947 178.639 176.600 0.152 0.000 0.989 45 E CA 0.813 57.251 56.400 0.064 0.000 0.800 45 E CB 0.058 29.758 29.700 -0.002 0.000 0.746 45 E HN 0.084 nan 8.360 nan 0.000 0.452 46 V N 0.995 121.036 119.914 0.213 0.000 2.453 46 V HA -0.196 3.925 4.120 0.003 0.000 0.247 46 V C 2.240 178.591 176.094 0.428 0.000 1.048 46 V CA 1.907 64.422 62.300 0.359 0.000 1.049 46 V CB -0.493 31.584 31.823 0.424 0.000 0.672 46 V HN 0.313 nan 8.190 nan 0.000 0.457 47 T N -0.641 114.140 114.554 0.378 0.000 2.777 47 T HA -0.183 4.168 4.350 0.003 0.000 0.266 47 T C 1.932 176.665 174.700 0.055 0.000 1.040 47 T CA 1.590 63.876 62.100 0.310 0.000 1.141 47 T CB -0.167 68.896 68.868 0.324 0.000 0.868 47 T HN 0.374 nan 8.240 nan 0.000 0.444 48 E N 0.739 120.992 120.200 0.089 0.000 2.051 48 E HA -0.083 4.269 4.350 0.003 0.000 0.192 48 E C 1.692 178.298 176.600 0.010 0.000 0.991 48 E CA 0.885 57.299 56.400 0.023 0.000 0.799 48 E CB -0.524 29.209 29.700 0.054 0.000 0.748 48 E HN 0.468 nan 8.360 nan 0.000 0.449 49 F N 0.819 120.747 119.950 -0.037 0.000 2.069 49 F HA -0.198 4.331 4.527 0.003 0.000 0.298 49 F C 2.062 177.790 175.800 -0.119 0.000 1.113 49 F CA 1.890 59.864 58.000 -0.042 0.000 1.214 49 F CB -1.035 37.978 39.000 0.022 0.000 0.978 49 F HN 0.064 nan 8.300 nan 0.000 0.474 50 A N 0.672 123.319 122.820 -0.288 0.000 1.896 50 A HA -0.330 3.992 4.320 0.003 0.000 0.220 50 A C 2.294 179.394 177.584 -0.807 0.000 1.206 50 A CA 2.552 54.230 52.037 -0.597 0.000 0.647 50 A CB -1.047 17.553 19.000 -0.666 0.000 0.828 50 A HN 0.535 nan 8.150 nan 0.000 0.455 51 K N -1.247 118.670 120.400 -0.804 0.000 2.160 51 K HA -0.133 4.189 4.320 0.003 0.000 0.206 51 K C 2.111 178.458 176.600 -0.422 0.000 1.047 51 K CA 1.723 57.605 56.287 -0.674 0.000 0.930 51 K CB -0.452 31.782 32.500 -0.443 0.000 0.720 51 K HN 0.550 nan 8.250 nan 0.000 0.450 52 T N 0.715 115.046 114.554 -0.372 0.000 2.708 52 T HA -0.167 4.185 4.350 0.003 0.000 0.266 52 T C 2.075 176.589 174.700 -0.310 0.000 1.037 52 T CA 1.332 63.264 62.100 -0.279 0.000 1.146 52 T CB -0.328 68.399 68.868 -0.234 0.000 0.865 52 T HN 0.340 nan 8.240 nan 0.000 0.435 53 c N 0.954 119.280 118.600 -0.457 0.000 2.435 53 c HA 0.059 4.631 4.570 0.003 0.000 0.279 53 c C 2.815 176.753 174.090 -0.254 0.000 1.321 53 c CA -0.151 55.956 56.329 -0.371 0.000 1.752 53 c CB -1.165 41.053 42.510 -0.485 0.000 1.959 53 c HN 0.352 nan 8.230 nan 0.000 0.500 54 V N 1.653 121.388 119.914 -0.299 0.000 2.295 54 V HA -0.217 3.905 4.120 0.003 0.000 0.246 54 V C 2.747 178.760 176.094 -0.135 0.000 1.049 54 V CA 2.324 64.504 62.300 -0.199 0.000 1.024 54 V CB -1.226 30.441 31.823 -0.259 0.000 0.648 54 V HN 0.582 nan 8.190 nan 0.000 0.447 55 A N -0.721 122.008 122.820 -0.153 0.000 2.015 55 A HA -0.105 4.217 4.320 0.003 0.000 0.219 55 A C 1.085 178.618 177.584 -0.083 0.000 1.163 55 A CA 1.721 53.696 52.037 -0.103 0.000 0.646 55 A CB -0.165 18.773 19.000 -0.104 0.000 0.806 55 A HN 0.611 nan 8.150 nan 0.000 0.448 56 D N -1.636 118.705 120.400 -0.098 0.000 2.333 56 D HA 0.152 4.793 4.640 0.003 0.000 0.225 56 D C -0.124 176.127 176.300 -0.081 0.000 1.345 56 D CA -0.391 53.565 54.000 -0.073 0.000 0.971 56 D CB 0.287 41.051 40.800 -0.060 0.000 1.451 56 D HN 0.180 nan 8.370 nan 0.000 0.561 57 E N 1.026 121.187 120.200 -0.066 0.000 2.533 57 E HA -0.034 4.318 4.350 0.003 0.000 0.203 57 E C 0.439 177.016 176.600 -0.037 0.000 1.101 57 E CA 0.492 56.858 56.400 -0.058 0.000 0.894 57 E CB 0.264 29.940 29.700 -0.041 0.000 0.843 57 E HN 0.234 nan 8.360 nan 0.000 0.552 58 S N -0.132 115.547 115.700 -0.034 0.000 2.603 58 S HA 0.216 4.688 4.470 0.003 0.000 0.232 58 S C 0.507 175.104 174.600 -0.005 0.000 1.016 58 S CA -0.286 57.906 58.200 -0.013 0.000 0.976 58 S CB 0.846 64.040 63.200 -0.010 0.000 0.921 58 S HN 0.281 nan 8.310 nan 0.000 0.516 59 A N 2.099 124.906 122.820 -0.021 0.000 2.492 59 A HA 0.199 4.521 4.320 0.003 0.000 0.236 59 A C 0.346 177.959 177.584 0.049 0.000 1.078 59 A CA -0.116 51.920 52.037 -0.002 0.000 0.773 59 A CB -0.005 18.973 19.000 -0.036 0.000 1.023 59 A HN 0.486 nan 8.150 nan 0.000 0.504 60 E N 1.179 121.425 120.200 0.077 0.000 2.565 60 E HA -0.116 4.236 4.350 0.003 0.000 0.268 60 E C 0.337 177.058 176.600 0.202 0.000 1.000 60 E CA 0.670 57.135 56.400 0.109 0.000 0.964 60 E CB 0.049 29.806 29.700 0.096 0.000 0.955 60 E HN 0.664 nan 8.360 nan 0.000 0.459 61 N N 0.222 119.021 118.700 0.166 0.000 2.805 61 N HA -0.284 4.457 4.740 0.003 0.000 0.241 61 N C 0.728 176.443 175.510 0.342 0.000 1.007 61 N CA 1.383 54.561 53.050 0.214 0.000 0.961 61 N CB -1.908 36.667 38.487 0.146 0.000 1.121 61 N HN 0.521 nan 8.380 nan 0.000 0.600 62 c N 1.427 120.190 118.600 0.272 0.000 2.430 62 c HA -0.098 4.473 4.570 0.003 0.000 0.288 62 c C 2.093 176.254 174.090 0.118 0.000 1.448 62 c CA 0.949 57.363 56.329 0.142 0.000 1.784 62 c CB -0.931 41.549 42.510 -0.050 0.000 1.776 62 c HN 0.559 nan 8.230 nan 0.000 0.547 63 D N 0.172 120.642 120.400 0.116 0.000 2.327 63 D HA -0.012 4.630 4.640 0.003 0.000 0.205 63 D C 0.786 177.148 176.300 0.103 0.000 0.989 63 D CA 0.325 54.378 54.000 0.088 0.000 0.873 63 D CB -0.349 40.490 40.800 0.064 0.000 0.955 63 D HN 0.156 nan 8.370 nan 0.000 0.515 64 K N 0.750 121.226 120.400 0.128 0.000 2.440 64 K HA 0.253 4.575 4.320 0.003 0.000 0.270 64 K C 0.832 177.509 176.600 0.128 0.000 0.980 64 K CA -0.075 56.283 56.287 0.118 0.000 0.953 64 K CB 0.538 33.105 32.500 0.112 0.000 0.925 64 K HN 0.509 nan 8.250 nan 0.000 0.497 65 S N 1.110 116.879 115.700 0.114 0.000 2.592 65 S HA 0.218 4.689 4.470 0.003 0.000 0.271 65 S C 1.507 176.174 174.600 0.111 0.000 1.326 65 S CA -0.718 57.547 58.200 0.108 0.000 1.024 65 S CB 0.314 63.583 63.200 0.115 0.000 0.921 65 S HN 0.534 nan 8.310 nan 0.000 0.527 66 L N 0.929 122.189 121.223 0.062 0.000 2.013 66 L HA -0.207 4.134 4.340 0.003 0.000 0.212 66 L C 2.632 179.547 176.870 0.075 0.000 1.073 66 L CA 2.055 56.919 54.840 0.040 0.000 0.753 66 L CB -0.927 41.085 42.059 -0.077 0.000 0.890 66 L HN 0.858 nan 8.230 nan 0.000 0.432 67 H N -1.181 117.944 119.070 0.092 0.000 2.319 67 H HA -0.176 4.381 4.556 0.003 0.000 0.297 67 H C 2.342 177.751 175.328 0.134 0.000 1.097 67 H CA 1.790 57.906 56.048 0.114 0.000 1.285 67 H CB -0.017 29.803 29.762 0.097 0.000 1.368 67 H HN 0.300 nan 8.280 nan 0.000 0.495 68 T N 0.740 115.435 114.554 0.234 0.000 2.674 68 T HA -0.141 4.211 4.350 0.003 0.000 0.265 68 T C 2.185 176.948 174.700 0.105 0.000 1.039 68 T CA 1.123 63.312 62.100 0.148 0.000 1.150 68 T CB -0.361 68.577 68.868 0.117 0.000 0.864 68 T HN 0.173 nan 8.240 nan 0.000 0.427 69 L N -0.104 121.185 121.223 0.110 0.000 2.012 69 L HA -0.087 4.255 4.340 0.003 0.000 0.210 69 L C 2.319 179.232 176.870 0.072 0.000 1.073 69 L CA 1.476 56.355 54.840 0.066 0.000 0.748 69 L CB -0.572 41.557 42.059 0.118 0.000 0.891 69 L HN 0.189 nan 8.230 nan 0.000 0.431 70 F N 0.809 120.735 119.950 -0.041 0.000 2.126 70 F HA -0.159 4.369 4.527 0.003 0.000 0.299 70 F C 2.191 177.893 175.800 -0.163 0.000 1.096 70 F CA 1.626 59.545 58.000 -0.135 0.000 1.255 70 F CB -0.728 38.133 39.000 -0.231 0.000 0.997 70 F HN -0.015 nan 8.300 nan 0.000 0.479 71 G N -0.483 108.208 108.800 -0.183 0.000 2.408 71 G HA2 -0.213 3.748 3.960 0.003 0.000 0.217 71 G HA3 -0.213 3.748 3.960 0.003 0.000 0.217 71 G C 1.409 176.200 174.900 -0.181 0.000 1.150 71 G CA 0.878 45.820 45.100 -0.263 0.000 0.776 71 G HN 0.331 nan 8.290 nan 0.000 0.542 72 D N 0.558 120.901 120.400 -0.094 0.000 2.117 72 D HA -0.062 4.580 4.640 0.003 0.000 0.197 72 D C 2.376 178.603 176.300 -0.121 0.000 0.987 72 D CA 0.725 54.679 54.000 -0.078 0.000 0.829 72 D CB -0.021 40.742 40.800 -0.061 0.000 0.961 72 D HN 0.067 nan 8.370 nan 0.000 0.460 73 K N 0.585 120.902 120.400 -0.139 0.000 2.148 73 K HA -0.059 4.263 4.320 0.003 0.000 0.204 73 K C 2.095 178.580 176.600 -0.193 0.000 1.050 73 K CA 0.093 56.302 56.287 -0.130 0.000 0.942 73 K CB -0.497 31.993 32.500 -0.017 0.000 0.724 73 K HN 0.115 nan 8.250 nan 0.000 0.446 74 L N 0.713 121.758 121.223 -0.297 0.000 2.046 74 L HA -0.168 4.174 4.340 0.003 0.000 0.208 74 L C 1.991 178.709 176.870 -0.253 0.000 1.077 74 L CA 1.584 56.183 54.840 -0.402 0.000 0.747 74 L CB -0.597 40.914 42.059 -0.914 0.000 0.896 74 L HN 0.091 nan 8.230 nan 0.000 0.432 75 c N -1.462 117.045 118.600 -0.155 0.000 2.539 75 c HA 0.002 4.574 4.570 0.003 0.000 0.271 75 c C 2.539 176.597 174.090 -0.054 0.000 1.412 75 c CA 0.795 57.103 56.329 -0.035 0.000 1.729 75 c CB -1.424 41.106 42.510 0.033 0.000 1.739 75 c HN 0.539 nan 8.230 nan 0.000 0.570 76 T N 0.681 115.176 114.554 -0.098 0.000 2.857 76 T HA -0.031 4.321 4.350 0.003 0.000 0.266 76 T C 0.886 175.530 174.700 -0.093 0.000 1.048 76 T CA 0.751 62.793 62.100 -0.096 0.000 1.139 76 T CB -0.020 68.772 68.868 -0.126 0.000 0.874 76 T HN 0.235 nan 8.240 nan 0.000 0.455 77 V N 2.545 122.392 119.914 -0.111 0.000 2.539 77 V HA 0.044 4.166 4.120 0.003 0.000 0.300 77 V C 1.562 177.634 176.094 -0.037 0.000 1.019 77 V CA 0.192 62.439 62.300 -0.089 0.000 1.160 77 V CB 0.129 31.899 31.823 -0.087 0.000 0.901 77 V HN 0.467 nan 8.190 nan 0.000 0.481 78 A N 4.982 127.779 122.820 -0.039 0.000 1.873 78 A HA -0.110 4.212 4.320 0.003 0.000 0.215 78 A C 2.081 179.665 177.584 -0.000 0.000 1.186 78 A CA 1.861 53.885 52.037 -0.023 0.000 0.616 78 A CB -0.603 18.376 19.000 -0.035 0.000 0.823 78 A HN 0.962 nan 8.150 nan 0.000 0.442 79 T N -2.006 112.552 114.554 0.006 0.000 3.317 79 T HA 0.179 4.530 4.350 0.003 0.000 0.250 79 T C 1.321 176.067 174.700 0.076 0.000 1.106 79 T CA 0.580 62.688 62.100 0.014 0.000 0.986 79 T CB -0.303 68.556 68.868 -0.015 0.000 1.010 79 T HN 0.115 nan 8.240 nan 0.000 0.560 80 L N 1.687 122.982 121.223 0.120 0.000 1.990 80 L HA -0.074 4.268 4.340 0.003 0.000 0.213 80 L C 2.803 179.798 176.870 0.208 0.000 1.072 80 L CA 2.014 56.995 54.840 0.235 0.000 0.755 80 L CB -0.541 41.591 42.059 0.121 0.000 0.889 80 L HN 0.319 nan 8.230 nan 0.000 0.432 81 R N -0.674 119.883 120.500 0.094 0.000 2.066 81 R HA -0.136 4.206 4.340 0.003 0.000 0.232 81 R C 2.247 178.562 176.300 0.025 0.000 1.131 81 R CA 1.772 57.905 56.100 0.054 0.000 0.955 81 R CB -0.500 29.814 30.300 0.024 0.000 0.851 81 R HN 0.469 nan 8.270 nan 0.000 0.432 82 E N -0.338 119.864 120.200 0.003 0.000 2.150 82 E HA -0.114 4.238 4.350 0.003 0.000 0.193 82 E C 1.816 178.373 176.600 -0.071 0.000 0.985 82 E CA 1.763 58.146 56.400 -0.028 0.000 0.814 82 E CB -0.835 28.846 29.700 -0.032 0.000 0.752 82 E HN 0.620 nan 8.360 nan 0.000 0.466 83 T N -1.142 113.343 114.554 -0.115 0.000 2.983 83 T HA 0.119 4.471 4.350 0.003 0.000 0.250 83 T C 1.335 175.776 174.700 -0.431 0.000 1.037 83 T CA 1.000 62.906 62.100 -0.323 0.000 1.142 83 T CB -0.146 68.405 68.868 -0.529 0.000 0.876 83 T HN 0.566 nan 8.240 nan 0.000 0.455 84 Y N 0.829 121.138 120.300 0.015 0.000 2.444 84 Y HA 0.419 4.971 4.550 0.003 0.000 0.249 84 Y C 2.009 177.908 175.900 -0.003 0.000 1.134 84 Y CA -0.324 57.789 58.100 0.023 0.000 1.261 84 Y CB -0.263 38.226 38.460 0.047 0.000 1.143 84 Y HN 0.340 nan 8.280 nan 0.000 0.523 85 G N 1.092 109.949 108.800 0.094 0.000 2.646 85 G HA2 -0.518 3.443 3.960 0.003 0.000 0.324 85 G HA3 -0.518 3.443 3.960 0.003 0.000 0.324 85 G C 1.296 176.198 174.900 0.003 0.000 1.195 85 G CA 1.045 46.167 45.100 0.037 0.000 0.976 85 G HN 0.368 nan 8.290 nan 0.000 0.546 86 E N -0.188 119.990 120.200 -0.036 0.000 2.169 86 E HA -0.236 4.115 4.350 0.003 0.000 0.202 86 E C 2.621 179.034 176.600 -0.312 0.000 1.016 86 E CA 1.819 58.134 56.400 -0.142 0.000 0.817 86 E CB -0.205 29.420 29.700 -0.124 0.000 0.736 86 E HN 0.532 nan 8.360 nan 0.000 0.462 87 M N -0.212 119.214 119.600 -0.290 0.000 2.144 87 M HA -0.232 4.250 4.480 0.003 0.000 0.260 87 M C 2.192 178.426 176.300 -0.110 0.000 1.067 87 M CA 1.656 56.797 55.300 -0.265 0.000 1.095 87 M CB -0.089 32.518 32.600 0.012 0.000 1.365 87 M HN 0.198 nan 8.290 nan 0.000 0.406 88 A N 0.106 122.913 122.820 -0.021 0.000 1.978 88 A HA -0.217 4.105 4.320 0.003 0.000 0.220 88 A C 1.581 179.137 177.584 -0.047 0.000 1.170 88 A CA 2.044 54.087 52.037 0.010 0.000 0.636 88 A CB -0.852 18.165 19.000 0.028 0.000 0.810 88 A HN 0.556 nan 8.150 nan 0.000 0.448 89 D N -0.668 119.674 120.400 -0.096 0.000 2.350 89 D HA -0.084 4.558 4.640 0.003 0.000 0.216 89 D C 1.787 178.005 176.300 -0.138 0.000 0.968 89 D CA 0.888 54.831 54.000 -0.096 0.000 0.894 89 D CB -0.372 40.377 40.800 -0.086 0.000 0.909 89 D HN 0.492 nan 8.370 nan 0.000 0.520 90 c N 0.256 118.711 118.600 -0.240 0.000 2.446 90 c HA -0.134 4.438 4.570 0.003 0.000 0.277 90 c C 2.926 176.861 174.090 -0.258 0.000 1.275 90 c CA 0.036 56.126 56.329 -0.398 0.000 1.727 90 c CB -0.966 40.946 42.510 -0.995 0.000 2.010 90 c HN 0.459 nan 8.230 nan 0.000 0.486 91 c N 1.189 119.720 118.600 -0.115 0.000 2.401 91 c HA -0.096 4.475 4.570 0.003 0.000 0.286 91 c C 2.968 177.048 174.090 -0.018 0.000 1.332 91 c CA 1.183 57.514 56.329 0.005 0.000 1.795 91 c CB -1.689 40.851 42.510 0.050 0.000 1.922 91 c HN 0.727 nan 8.230 nan 0.000 0.520 92 A N 0.103 122.897 122.820 -0.043 0.000 1.930 92 A HA -0.022 4.300 4.320 0.003 0.000 0.215 92 A C 1.245 178.809 177.584 -0.032 0.000 1.176 92 A CA 0.870 52.889 52.037 -0.031 0.000 0.632 92 A CB -0.164 18.816 19.000 -0.033 0.000 0.819 92 A HN 0.666 nan 8.150 nan 0.000 0.445 93 K N 0.218 120.585 120.400 -0.055 0.000 2.149 93 K HA 0.303 4.625 4.320 0.003 0.000 0.245 93 K C -0.051 176.534 176.600 -0.025 0.000 1.024 93 K CA -0.009 56.250 56.287 -0.046 0.000 0.899 93 K CB 0.292 32.748 32.500 -0.072 0.000 1.038 93 K HN 0.446 nan 8.250 nan 0.000 0.496 94 Q N 0.706 120.499 119.800 -0.011 0.000 2.252 94 Q HA 0.177 4.519 4.340 0.003 0.000 0.256 94 Q C -0.837 175.172 176.000 0.014 0.000 1.020 94 Q CA -0.878 54.929 55.803 0.008 0.000 0.913 94 Q CB 1.320 30.064 28.738 0.011 0.000 1.286 94 Q HN 0.356 nan 8.270 nan 0.000 0.480 95 E N 2.025 122.245 120.200 0.033 0.000 2.354 95 E HA 0.059 4.411 4.350 0.003 0.000 0.269 95 E C -1.795 174.820 176.600 0.026 0.000 1.036 95 E CA -1.432 54.991 56.400 0.039 0.000 0.876 95 E CB 0.699 30.438 29.700 0.065 0.000 1.009 95 E HN 0.268 nan 8.360 nan 0.000 0.416 96 P HA 0.091 nan 4.420 nan 0.000 0.261 96 P C -0.130 177.167 177.300 -0.004 0.000 1.268 96 P CA 0.197 63.294 63.100 -0.004 0.000 0.833 96 P CB 0.665 32.357 31.700 -0.014 0.000 1.231 97 E N 0.720 120.918 120.200 -0.004 0.000 2.153 97 E HA -0.150 4.202 4.350 0.003 0.000 0.194 97 E C 2.201 178.773 176.600 -0.046 0.000 0.988 97 E CA 0.956 57.347 56.400 -0.016 0.000 0.811 97 E CB -0.643 29.046 29.700 -0.019 0.000 0.746 97 E HN 0.226 nan 8.360 nan 0.000 0.466 98 R N 0.557 121.030 120.500 -0.044 0.000 2.083 98 R HA -0.181 4.160 4.340 0.003 0.000 0.237 98 R C 2.099 178.368 176.300 -0.051 0.000 1.137 98 R CA 1.817 57.854 56.100 -0.105 0.000 0.951 98 R CB -0.220 30.090 30.300 0.018 0.000 0.851 98 R HN 0.161 nan 8.270 nan 0.000 0.434 99 N N 0.296 119.062 118.700 0.110 0.000 2.142 99 N HA -0.199 4.543 4.740 0.003 0.000 0.186 99 N C 1.613 177.209 175.510 0.144 0.000 1.023 99 N CA 1.605 54.780 53.050 0.209 0.000 0.852 99 N CB -0.085 38.395 38.487 -0.012 0.000 0.998 99 N HN 0.182 nan 8.380 nan 0.000 0.424 100 E N 0.008 120.240 120.200 0.052 0.000 2.077 100 E HA -0.133 4.219 4.350 0.003 0.000 0.193 100 E C 2.065 178.689 176.600 0.040 0.000 0.989 100 E CA 0.906 57.342 56.400 0.060 0.000 0.800 100 E CB -0.963 28.768 29.700 0.052 0.000 0.746 100 E HN 0.478 nan 8.360 nan 0.000 0.452 101 c N -0.432 118.151 118.600 -0.029 0.000 2.429 101 c HA -0.114 4.457 4.570 0.003 0.000 0.277 101 c C 2.386 176.508 174.090 0.054 0.000 1.262 101 c CA 0.740 57.039 56.329 -0.050 0.000 1.733 101 c CB -1.504 40.881 42.510 -0.208 0.000 2.010 101 c HN 0.455 nan 8.230 nan 0.000 0.483 102 F N 0.386 120.451 119.950 0.191 0.000 2.186 102 F HA -0.011 4.517 4.527 0.003 0.000 0.299 102 F C 2.089 178.068 175.800 0.298 0.000 1.090 102 F CA 1.036 59.189 58.000 0.255 0.000 1.307 102 F CB -1.041 38.059 39.000 0.165 0.000 1.019 102 F HN 0.112 nan 8.300 nan 0.000 0.489 103 L N 0.141 121.587 121.223 0.371 0.000 2.042 103 L HA -0.218 4.124 4.340 0.003 0.000 0.210 103 L C 2.260 179.183 176.870 0.088 0.000 1.076 103 L CA 1.799 56.755 54.840 0.194 0.000 0.749 103 L CB -1.286 40.781 42.059 0.013 0.000 0.893 103 L HN 0.245 nan 8.230 nan 0.000 0.432 104 Q N -1.658 118.140 119.800 -0.003 0.000 2.364 104 Q HA -0.125 4.216 4.340 0.003 0.000 0.207 104 Q C 0.875 176.697 176.000 -0.298 0.000 0.970 104 Q CA 0.823 56.525 55.803 -0.169 0.000 0.888 104 Q CB -0.059 28.498 28.738 -0.301 0.000 0.951 104 Q HN 0.619 nan 8.270 nan 0.000 0.469 105 H N -0.147 118.992 119.070 0.116 0.000 2.542 105 H HA 0.218 4.775 4.556 0.003 0.000 0.283 105 H C -0.196 175.203 175.328 0.118 0.000 1.059 105 H CA -0.032 56.087 56.048 0.118 0.000 1.162 105 H CB 0.435 30.273 29.762 0.127 0.000 1.539 105 H HN 0.033 nan 8.280 nan 0.000 0.543 106 K N 2.264 122.749 120.400 0.142 0.000 2.284 106 K HA 0.037 4.358 4.320 0.003 0.000 0.287 106 K C -0.753 175.876 176.600 0.048 0.000 1.081 106 K CA -0.463 55.836 56.287 0.020 0.000 0.910 106 K CB 0.547 32.919 32.500 -0.214 0.000 1.088 106 K HN -0.009 nan 8.250 nan 0.000 0.478 107 D N 3.341 123.773 120.400 0.053 0.000 2.325 107 D HA -0.014 4.627 4.640 0.003 0.000 0.251 107 D C 0.506 176.834 176.300 0.047 0.000 1.196 107 D CA 0.025 54.067 54.000 0.070 0.000 0.866 107 D CB 1.265 42.107 40.800 0.070 0.000 1.101 107 D HN 0.566 nan 8.370 nan 0.000 0.476 108 D N 3.050 123.534 120.400 0.140 0.000 2.348 108 D HA -0.056 4.586 4.640 0.003 0.000 0.216 108 D C 0.034 176.356 176.300 0.037 0.000 0.970 108 D CA 0.867 54.972 54.000 0.175 0.000 0.889 108 D CB -0.026 40.948 40.800 0.291 0.000 0.912 108 D HN 0.429 nan 8.370 nan 0.000 0.524 109 N N 0.654 119.360 118.700 0.011 0.000 2.733 109 N HA 0.262 5.004 4.740 0.003 0.000 0.271 109 N C -2.778 172.715 175.510 -0.027 0.000 1.720 109 N CA -1.118 51.914 53.050 -0.030 0.000 0.803 109 N CB 0.448 38.925 38.487 -0.016 0.000 1.208 109 N HN 0.031 nan 8.380 nan 0.000 0.498 110 P HA 0.105 nan 4.420 nan 0.000 0.270 110 P C -0.606 176.675 177.300 -0.031 0.000 1.223 110 P CA 0.055 63.141 63.100 -0.023 0.000 0.785 110 P CB 0.862 32.546 31.700 -0.028 0.000 0.923 111 N N 0.901 119.591 118.700 -0.017 0.000 3.259 111 N HA 0.175 4.916 4.740 0.003 0.000 0.308 111 N C -0.153 175.343 175.510 -0.024 0.000 1.334 111 N CA -0.299 52.740 53.050 -0.019 0.000 1.202 111 N CB -0.412 38.069 38.487 -0.011 0.000 1.485 111 N HN 0.266 nan 8.380 nan 0.000 0.549 112 L N 0.806 122.006 121.223 -0.038 0.000 2.379 112 L HA 0.496 4.837 4.340 0.003 0.000 0.269 112 L C -1.760 175.087 176.870 -0.039 0.000 1.084 112 L CA -1.972 52.843 54.840 -0.041 0.000 0.802 112 L CB 0.461 42.482 42.059 -0.065 0.000 1.175 112 L HN 0.060 nan 8.230 nan 0.000 0.448 113 P HA 0.149 nan 4.420 nan 0.000 0.272 113 P C -1.193 176.091 177.300 -0.027 0.000 1.223 113 P CA -0.657 62.428 63.100 -0.024 0.000 0.784 113 P CB 0.387 32.076 31.700 -0.018 0.000 0.923 114 R N 1.661 122.150 120.500 -0.018 0.000 2.538 114 R HA 0.178 4.520 4.340 0.003 0.000 0.282 114 R C -0.379 175.918 176.300 -0.005 0.000 1.009 114 R CA -0.576 55.517 56.100 -0.012 0.000 1.063 114 R CB -0.305 29.992 30.300 -0.004 0.000 0.945 114 R HN 0.228 nan 8.270 nan 0.000 0.414 115 L N 4.698 125.920 121.223 -0.002 0.000 2.418 115 L HA 0.088 4.430 4.340 0.003 0.000 0.274 115 L C -0.363 176.529 176.870 0.036 0.000 1.135 115 L CA 0.031 54.881 54.840 0.016 0.000 0.870 115 L CB 1.193 43.267 42.059 0.025 0.000 1.154 115 L HN 0.628 nan 8.230 nan 0.000 0.462 116 V N 3.291 123.235 119.914 0.049 0.000 2.532 116 V HA 0.565 4.686 4.120 0.003 0.000 0.295 116 V C 0.210 176.355 176.094 0.084 0.000 1.041 116 V CA -1.068 61.264 62.300 0.054 0.000 0.926 116 V CB 1.292 33.140 31.823 0.042 0.000 0.992 116 V HN 0.795 nan 8.190 nan 0.000 0.457 117 R N 4.946 125.485 120.500 0.065 0.000 2.210 117 R HA 0.451 4.792 4.340 0.003 0.000 0.338 117 R C -1.983 174.368 176.300 0.086 0.000 1.062 117 R CA -1.238 54.905 56.100 0.071 0.000 0.902 117 R CB 0.827 31.155 30.300 0.047 0.000 1.050 117 R HN 0.835 nan 8.270 nan 0.000 0.461 118 P HA 0.169 nan 4.420 nan 0.000 0.289 118 P C -0.700 176.664 177.300 0.105 0.000 1.299 118 P CA -0.308 62.861 63.100 0.115 0.000 0.766 118 P CB 0.301 32.092 31.700 0.153 0.000 1.226 119 E N -0.334 119.922 120.200 0.094 0.000 2.360 119 E HA 0.178 4.530 4.350 0.003 0.000 0.269 119 E C 1.364 178.025 176.600 0.100 0.000 1.022 119 E CA -0.348 56.100 56.400 0.080 0.000 0.887 119 E CB -0.281 29.456 29.700 0.062 0.000 0.990 119 E HN 0.247 nan 8.360 nan 0.000 0.426 120 V N 2.219 122.184 119.914 0.086 0.000 2.313 120 V HA -0.319 3.802 4.120 0.003 0.000 0.253 120 V C 1.833 177.987 176.094 0.100 0.000 1.070 120 V CA 2.453 64.811 62.300 0.096 0.000 1.057 120 V CB -0.493 31.360 31.823 0.049 0.000 0.653 120 V HN 0.884 nan 8.190 nan 0.000 0.450 121 D N 0.027 120.470 120.400 0.072 0.000 2.104 121 D HA -0.145 4.497 4.640 0.003 0.000 0.194 121 D C 2.204 178.549 176.300 0.075 0.000 0.994 121 D CA 1.870 55.907 54.000 0.062 0.000 0.830 121 D CB -0.540 40.287 40.800 0.044 0.000 0.959 121 D HN 0.536 nan 8.370 nan 0.000 0.452 122 V N -1.027 118.941 119.914 0.090 0.000 2.358 122 V HA -0.216 3.906 4.120 0.003 0.000 0.246 122 V C 2.237 178.409 176.094 0.130 0.000 1.047 122 V CA 1.158 63.519 62.300 0.102 0.000 1.035 122 V CB -0.637 31.250 31.823 0.108 0.000 0.658 122 V HN 0.058 nan 8.190 nan 0.000 0.452 123 M N 0.066 119.770 119.600 0.174 0.000 2.084 123 M HA -0.202 4.279 4.480 0.003 0.000 0.259 123 M C 2.535 178.821 176.300 -0.023 0.000 1.072 123 M CA 2.595 58.020 55.300 0.208 0.000 1.107 123 M CB -1.224 31.602 32.600 0.377 0.000 1.299 123 M HN 0.523 nan 8.290 nan 0.000 0.413 124 c N 0.396 119.051 118.600 0.092 0.000 2.401 124 c HA -0.153 4.418 4.570 0.003 0.000 0.276 124 c C 2.998 177.149 174.090 0.101 0.000 1.233 124 c CA 1.526 57.916 56.329 0.101 0.000 1.753 124 c CB -1.137 41.440 42.510 0.111 0.000 2.029 124 c HN 0.608 nan 8.230 nan 0.000 0.478 125 T N 0.759 115.352 114.554 0.065 0.000 2.737 125 T HA -0.091 4.260 4.350 0.003 0.000 0.265 125 T C 2.122 176.845 174.700 0.039 0.000 1.038 125 T CA 1.606 63.748 62.100 0.071 0.000 1.144 125 T CB -0.429 68.475 68.868 0.059 0.000 0.866 125 T HN 0.635 nan 8.240 nan 0.000 0.434 126 A N 1.100 123.915 122.820 -0.009 0.000 1.940 126 A HA -0.052 4.270 4.320 0.003 0.000 0.219 126 A C 1.995 179.426 177.584 -0.255 0.000 1.176 126 A CA 1.469 53.492 52.037 -0.022 0.000 0.631 126 A CB -0.969 18.134 19.000 0.171 0.000 0.814 126 A HN 0.491 nan 8.150 nan 0.000 0.446 127 F N 0.455 119.930 119.950 -0.792 0.000 2.026 127 F HA -0.245 4.284 4.527 0.003 0.000 0.296 127 F C 2.266 177.860 175.800 -0.344 0.000 1.133 127 F CA 2.531 59.949 58.000 -0.970 0.000 1.188 127 F CB -0.938 37.457 39.000 -1.009 0.000 0.968 127 F HN 0.498 nan 8.300 nan 0.000 0.476 128 H N -0.284 118.582 119.070 -0.340 0.000 2.353 128 H HA -0.168 4.390 4.556 0.003 0.000 0.298 128 H C 1.635 176.810 175.328 -0.254 0.000 1.103 128 H CA 2.382 58.250 56.048 -0.300 0.000 1.293 128 H CB -0.670 29.058 29.762 -0.056 0.000 1.372 128 H HN 0.269 nan 8.280 nan 0.000 0.501 129 D N -0.585 119.665 120.400 -0.250 0.000 2.371 129 D HA -0.020 4.622 4.640 0.003 0.000 0.221 129 D C 0.038 176.208 176.300 -0.216 0.000 0.986 129 D CA 0.657 54.520 54.000 -0.229 0.000 0.899 129 D CB 0.104 40.882 40.800 -0.036 0.000 0.902 129 D HN 0.339 nan 8.370 nan 0.000 0.530 130 N N -0.134 118.415 118.700 -0.252 0.000 3.161 130 N HA -0.046 4.696 4.740 0.003 0.000 0.174 130 N C 0.336 175.755 175.510 -0.153 0.000 1.308 130 N CA 0.032 52.988 53.050 -0.158 0.000 1.294 130 N CB 0.148 38.609 38.487 -0.042 0.000 1.642 130 N HN -0.279 nan 8.380 nan 0.000 0.624 131 E N 0.346 120.350 120.200 -0.326 0.000 2.136 131 E HA -0.263 4.089 4.350 0.003 0.000 0.202 131 E C 1.329 177.932 176.600 0.005 0.000 1.019 131 E CA 1.928 58.148 56.400 -0.299 0.000 0.819 131 E CB 0.243 29.724 29.700 -0.365 0.000 0.739 131 E HN 0.523 nan 8.360 nan 0.000 0.458 132 E N -0.441 119.759 120.200 -0.000 0.000 2.000 132 E HA -0.204 4.148 4.350 0.003 0.000 0.199 132 E C 2.216 178.883 176.600 0.112 0.000 1.011 132 E CA 2.430 58.869 56.400 0.065 0.000 0.836 132 E CB -0.818 28.910 29.700 0.046 0.000 0.778 132 E HN 0.379 nan 8.360 nan 0.000 0.462 133 T N -1.412 113.209 114.554 0.112 0.000 2.803 133 T HA -0.202 4.149 4.350 0.003 0.000 0.269 133 T C 1.993 176.706 174.700 0.023 0.000 1.052 133 T CA 1.410 63.584 62.100 0.123 0.000 1.136 133 T CB -0.760 68.190 68.868 0.137 0.000 0.864 133 T HN 0.257 nan 8.240 nan 0.000 0.467 134 F N 1.842 121.761 119.950 -0.051 0.000 2.095 134 F HA 0.075 4.604 4.527 0.003 0.000 0.298 134 F C 1.995 177.808 175.800 0.022 0.000 1.104 134 F CA 1.318 59.299 58.000 -0.032 0.000 1.232 134 F CB -0.330 38.655 39.000 -0.024 0.000 0.987 134 F HN 0.121 nan 8.300 nan 0.000 0.475 135 L N -0.225 121.069 121.223 0.117 0.000 2.095 135 L HA -0.140 4.202 4.340 0.003 0.000 0.204 135 L C 2.434 179.301 176.870 -0.004 0.000 1.080 135 L CA 0.787 55.657 54.840 0.050 0.000 0.759 135 L CB -0.648 41.525 42.059 0.189 0.000 0.914 135 L HN -0.035 nan 8.230 nan 0.000 0.439 136 K N 0.494 120.913 120.400 0.031 0.000 2.148 136 K HA -0.171 4.151 4.320 0.003 0.000 0.204 136 K C 1.977 178.511 176.600 -0.110 0.000 1.050 136 K CA 1.086 57.427 56.287 0.090 0.000 0.942 136 K CB -0.279 32.386 32.500 0.275 0.000 0.724 136 K HN 0.063 nan 8.250 nan 0.000 0.446 137 K N 0.288 120.348 120.400 -0.567 0.000 2.057 137 K HA -0.123 4.199 4.320 0.003 0.000 0.207 137 K C 1.952 178.234 176.600 -0.530 0.000 1.049 137 K CA 1.376 56.985 56.287 -1.129 0.000 0.931 137 K CB -0.406 31.421 32.500 -1.121 0.000 0.714 137 K HN 0.056 nan 8.250 nan 0.000 0.440 138 Y N -0.171 119.887 120.300 -0.403 0.000 2.337 138 Y HA -0.018 4.534 4.550 0.003 0.000 0.293 138 Y C 1.854 177.618 175.900 -0.227 0.000 1.123 138 Y CA 0.932 58.825 58.100 -0.344 0.000 1.201 138 Y CB -0.224 37.942 38.460 -0.490 0.000 1.011 138 Y HN 0.064 nan 8.280 nan 0.000 0.545 139 L N -0.677 120.547 121.223 0.002 0.000 2.083 139 L HA -0.236 4.106 4.340 0.003 0.000 0.209 139 L C 2.258 179.153 176.870 0.041 0.000 1.083 139 L CA 1.754 56.608 54.840 0.023 0.000 0.752 139 L CB -1.156 40.945 42.059 0.069 0.000 0.899 139 L HN 0.388 nan 8.230 nan 0.000 0.433 140 Y N 0.164 120.429 120.300 -0.058 0.000 2.145 140 Y HA -0.187 4.365 4.550 0.003 0.000 0.286 140 Y C 2.292 178.152 175.900 -0.066 0.000 1.145 140 Y CA 1.910 59.991 58.100 -0.032 0.000 1.148 140 Y CB -0.268 38.243 38.460 0.085 0.000 0.981 140 Y HN 0.243 nan 8.280 nan 0.000 0.507 141 E N 0.503 120.458 120.200 -0.408 0.000 2.110 141 E HA -0.164 4.188 4.350 0.003 0.000 0.193 141 E C 2.240 178.687 176.600 -0.256 0.000 0.988 141 E CA 1.343 57.472 56.400 -0.451 0.000 0.804 141 E CB -0.186 29.349 29.700 -0.276 0.000 0.745 141 E HN 0.534 nan 8.360 nan 0.000 0.458 142 I N 0.830 121.310 120.570 -0.150 0.000 2.233 142 I HA -0.117 4.055 4.170 0.003 0.000 0.243 142 I C 2.447 178.537 176.117 -0.044 0.000 1.093 142 I CA 0.894 62.142 61.300 -0.087 0.000 1.380 142 I CB -1.594 36.313 38.000 -0.154 0.000 1.067 142 I HN -0.074 nan 8.210 nan 0.000 0.413 143 A N 2.209 124.978 122.820 -0.086 0.000 1.902 143 A HA -0.213 4.109 4.320 0.003 0.000 0.217 143 A C 2.413 179.940 177.584 -0.095 0.000 1.181 143 A CA 1.762 53.767 52.037 -0.053 0.000 0.623 143 A CB -0.674 18.307 19.000 -0.032 0.000 0.818 143 A HN 0.541 nan 8.150 nan 0.000 0.443 144 R N -0.678 119.706 120.500 -0.194 0.000 2.189 144 R HA -0.025 4.317 4.340 0.003 0.000 0.223 144 R C 1.820 178.022 176.300 -0.163 0.000 1.092 144 R CA 1.341 57.326 56.100 -0.191 0.000 0.989 144 R CB -0.340 29.779 30.300 -0.302 0.000 0.876 144 R HN 0.456 nan 8.270 nan 0.000 0.457 145 R N -0.073 120.328 120.500 -0.165 0.000 2.210 145 R HA 0.059 4.400 4.340 0.003 0.000 0.203 145 R C -0.035 175.989 176.300 -0.461 0.000 1.010 145 R CA 0.663 56.608 56.100 -0.259 0.000 1.008 145 R CB 0.207 30.369 30.300 -0.230 0.000 0.923 145 R HN 0.388 nan 8.270 nan 0.000 0.469 146 H N 0.078 119.089 119.070 -0.098 0.000 2.348 146 H HA 0.154 4.711 4.556 0.003 0.000 0.232 146 H C -1.921 173.386 175.328 -0.034 0.000 1.419 146 H CA -1.817 54.211 56.048 -0.034 0.000 1.416 146 H CB 1.000 30.725 29.762 -0.062 0.000 1.510 146 H HN -0.009 nan 8.280 nan 0.000 0.507 147 P HA -0.194 nan 4.420 nan 0.000 0.229 147 P C 0.205 177.222 177.300 -0.471 0.000 1.150 147 P CA 1.342 64.248 63.100 -0.323 0.000 0.765 147 P CB 0.205 31.621 31.700 -0.474 0.000 0.783 148 Y N -2.766 117.567 120.300 0.054 0.000 2.445 148 Y HA 0.256 4.808 4.550 0.003 0.000 0.247 148 Y C 1.103 177.084 175.900 0.136 0.000 1.129 148 Y CA -0.873 57.259 58.100 0.054 0.000 1.251 148 Y CB -0.046 38.435 38.460 0.035 0.000 1.176 148 Y HN -0.225 nan 8.280 nan 0.000 0.522 149 F N 1.355 121.392 119.950 0.146 0.000 2.578 149 F HA 0.004 4.533 4.527 0.002 0.000 0.381 149 F C 0.288 176.168 175.800 0.133 0.000 1.069 149 F CA -1.056 57.024 58.000 0.133 0.000 1.231 149 F CB 0.008 39.056 39.000 0.079 0.000 1.086 149 F HN 0.028 nan 8.300 nan 0.000 0.564 150 Y N 6.950 127.041 120.300 -0.349 0.000 2.815 150 Y HA 0.145 4.697 4.550 0.003 0.000 0.346 150 Y C 1.117 176.965 175.900 -0.087 0.000 1.267 150 Y CA -0.109 57.859 58.100 -0.220 0.000 1.604 150 Y CB 0.221 38.508 38.460 -0.289 0.000 1.218 150 Y HN 0.791 nan 8.280 nan 0.000 0.527 151 A N 7.623 130.203 122.820 -0.399 0.000 1.881 151 A HA -0.238 4.084 4.320 0.003 0.000 0.219 151 A C -0.265 177.159 177.584 -0.267 0.000 1.215 151 A CA 2.170 54.047 52.037 -0.267 0.000 0.648 151 A CB -1.904 16.925 19.000 -0.285 0.000 0.832 151 A HN 0.717 nan 8.150 nan 0.000 0.455 152 P HA -0.160 nan 4.420 nan 0.000 0.216 152 P C 1.358 178.646 177.300 -0.020 0.000 1.150 152 P CA 1.700 64.646 63.100 -0.256 0.000 0.843 152 P CB 0.017 31.537 31.700 -0.299 0.000 0.787 153 E N -0.837 119.378 120.200 0.025 0.000 2.152 153 E HA -0.135 4.217 4.350 0.003 0.000 0.192 153 E C 1.719 178.666 176.600 0.577 0.000 0.983 153 E CA 0.630 57.151 56.400 0.202 0.000 0.818 153 E CB -1.078 28.668 29.700 0.077 0.000 0.758 153 E HN 0.010 nan 8.360 nan 0.000 0.467 154 L N -0.011 121.573 121.223 0.603 0.000 2.093 154 L HA -0.026 4.316 4.340 0.003 0.000 0.208 154 L C 2.028 179.143 176.870 0.409 0.000 1.085 154 L CA 1.248 56.495 54.840 0.678 0.000 0.755 154 L CB -0.590 41.757 42.059 0.480 0.000 0.904 154 L HN 0.296 nan 8.230 nan 0.000 0.435 155 L N -1.313 120.059 121.223 0.249 0.000 2.093 155 L HA -0.159 4.183 4.340 0.003 0.000 0.208 155 L C 2.300 179.265 176.870 0.159 0.000 1.085 155 L CA 1.657 56.593 54.840 0.159 0.000 0.755 155 L CB -0.982 41.123 42.059 0.076 0.000 0.904 155 L HN 0.371 nan 8.230 nan 0.000 0.435 156 F N -0.610 119.336 119.950 -0.006 0.000 2.126 156 F HA -0.270 4.259 4.527 0.003 0.000 0.299 156 F C 1.951 177.672 175.800 -0.132 0.000 1.096 156 F CA 1.634 59.529 58.000 -0.174 0.000 1.255 156 F CB -0.472 38.243 39.000 -0.475 0.000 0.997 156 F HN 0.091 nan 8.300 nan 0.000 0.479 157 F N 0.639 120.647 119.950 0.097 0.000 2.186 157 F HA -0.077 4.452 4.527 0.002 0.000 0.299 157 F C 2.620 178.474 175.800 0.091 0.000 1.090 157 F CA 1.284 59.312 58.000 0.046 0.000 1.307 157 F CB -1.343 37.790 39.000 0.221 0.000 1.019 157 F HN 0.084 nan 8.300 nan 0.000 0.489 158 A N 0.182 123.182 122.820 0.301 0.000 1.908 158 A HA -0.247 4.075 4.320 0.003 0.000 0.218 158 A C 2.192 179.886 177.584 0.184 0.000 1.181 158 A CA 1.887 54.078 52.037 0.256 0.000 0.627 158 A CB -0.660 18.442 19.000 0.170 0.000 0.818 158 A HN 0.376 nan 8.150 nan 0.000 0.445 159 K N -0.791 119.630 120.400 0.035 0.000 2.211 159 K HA -0.083 4.239 4.320 0.003 0.000 0.203 159 K C 2.120 178.685 176.600 -0.058 0.000 1.050 159 K CA 1.296 57.573 56.287 -0.017 0.000 0.945 159 K CB -0.122 32.318 32.500 -0.100 0.000 0.732 159 K HN 0.409 nan 8.250 nan 0.000 0.451 160 R N -0.683 119.722 120.500 -0.158 0.000 2.161 160 R HA -0.023 4.319 4.340 0.003 0.000 0.213 160 R C 1.708 177.945 176.300 -0.105 0.000 1.055 160 R CA 0.827 56.806 56.100 -0.202 0.000 0.996 160 R CB -0.066 30.019 30.300 -0.358 0.000 0.901 160 R HN 0.177 nan 8.270 nan 0.000 0.456 161 Y N 1.128 121.446 120.300 0.030 0.000 2.220 161 Y HA -0.134 4.417 4.550 0.003 0.000 0.291 161 Y C 2.404 178.445 175.900 0.236 0.000 1.129 161 Y CA 1.311 59.480 58.100 0.114 0.000 1.161 161 Y CB -0.045 38.525 38.460 0.185 0.000 0.997 161 Y HN -0.097 nan 8.280 nan 0.000 0.522 162 K N 0.201 120.834 120.400 0.388 0.000 2.063 162 K HA -0.215 4.106 4.320 0.003 0.000 0.208 162 K C 2.238 178.970 176.600 0.218 0.000 1.048 162 K CA 1.297 57.804 56.287 0.365 0.000 0.928 162 K CB -0.312 32.360 32.500 0.286 0.000 0.713 162 K HN 0.264 nan 8.250 nan 0.000 0.442 163 A N 1.017 123.898 122.820 0.102 0.000 1.908 163 A HA -0.124 4.198 4.320 0.003 0.000 0.218 163 A C 2.315 179.877 177.584 -0.037 0.000 1.181 163 A CA 1.938 53.990 52.037 0.025 0.000 0.627 163 A CB -0.773 18.211 19.000 -0.028 0.000 0.818 163 A HN 0.507 nan 8.150 nan 0.000 0.445 164 A N -1.399 121.360 122.820 -0.100 0.000 1.930 164 A HA 0.059 4.380 4.320 0.003 0.000 0.217 164 A C 1.930 179.298 177.584 -0.360 0.000 1.175 164 A CA 1.437 53.327 52.037 -0.246 0.000 0.627 164 A CB -0.639 18.148 19.000 -0.355 0.000 0.815 164 A HN 0.456 nan 8.150 nan 0.000 0.443 165 F N 0.230 120.015 119.950 -0.276 0.000 2.128 165 F HA -0.075 4.454 4.527 0.003 0.000 0.295 165 F C 2.780 178.242 175.800 -0.562 0.000 1.100 165 F CA 1.775 59.400 58.000 -0.624 0.000 1.260 165 F CB -1.013 37.227 39.000 -1.268 0.000 1.009 165 F HN 0.103 nan 8.300 nan 0.000 0.476 166 T N -0.415 114.061 114.554 -0.130 0.000 2.635 166 T HA -0.295 4.057 4.350 0.003 0.000 0.267 166 T C 1.905 176.626 174.700 0.035 0.000 1.040 166 T CA 1.944 64.104 62.100 0.099 0.000 1.156 166 T CB -0.378 68.593 68.868 0.171 0.000 0.863 166 T HN 0.346 nan 8.240 nan 0.000 0.430 167 E N -0.354 119.834 120.200 -0.020 0.000 2.015 167 E HA -0.138 4.213 4.350 0.003 0.000 0.191 167 E C 2.412 178.983 176.600 -0.049 0.000 0.991 167 E CA 1.392 57.774 56.400 -0.029 0.000 0.802 167 E CB -0.179 29.491 29.700 -0.049 0.000 0.759 167 E HN 0.476 nan 8.360 nan 0.000 0.447 168 c N 0.365 118.903 118.600 -0.103 0.000 2.450 168 c HA -0.054 4.517 4.570 0.003 0.000 0.279 168 c C 2.735 176.785 174.090 -0.067 0.000 1.335 168 c CA 0.175 56.441 56.329 -0.105 0.000 1.749 168 c CB -0.837 41.567 42.510 -0.176 0.000 1.963 168 c HN 0.629 nan 8.230 nan 0.000 0.501 169 c N 0.673 119.239 118.600 -0.056 0.000 2.466 169 c HA -0.070 4.501 4.570 0.003 0.000 0.283 169 c C 2.361 176.470 174.090 0.033 0.000 1.472 169 c CA 0.929 57.264 56.329 0.010 0.000 1.765 169 c CB -1.861 40.687 42.510 0.062 0.000 1.724 169 c HN 0.670 nan 8.230 nan 0.000 0.560 170 Q N 0.153 119.966 119.800 0.023 0.000 2.317 170 Q HA 0.278 4.620 4.340 0.003 0.000 0.220 170 Q C 1.051 177.053 176.000 0.005 0.000 0.873 170 Q CA -0.060 55.757 55.803 0.023 0.000 0.936 170 Q CB 0.173 28.933 28.738 0.036 0.000 1.105 170 Q HN 0.600 nan 8.270 nan 0.000 0.520 171 A N 0.867 123.683 122.820 -0.007 0.000 2.492 171 A HA 0.307 4.629 4.320 0.003 0.000 0.236 171 A C 1.258 178.836 177.584 -0.010 0.000 1.078 171 A CA 0.665 52.694 52.037 -0.013 0.000 0.773 171 A CB 0.210 19.194 19.000 -0.026 0.000 1.023 171 A HN 0.360 nan 8.150 nan 0.000 0.504 172 A N 0.230 123.044 122.820 -0.010 0.000 1.930 172 A HA 0.035 4.357 4.320 0.003 0.000 0.217 172 A C 0.929 178.507 177.584 -0.009 0.000 1.175 172 A CA 1.964 53.996 52.037 -0.008 0.000 0.627 172 A CB -0.180 18.816 19.000 -0.007 0.000 0.815 172 A HN 0.792 nan 8.150 nan 0.000 0.443 173 D N -1.287 119.106 120.400 -0.013 0.000 2.432 173 D HA 0.393 5.035 4.640 0.003 0.000 0.265 173 D C 0.713 177.001 176.300 -0.020 0.000 1.160 173 D CA -0.349 53.643 54.000 -0.014 0.000 0.911 173 D CB 0.603 41.396 40.800 -0.013 0.000 1.052 173 D HN 0.144 nan 8.370 nan 0.000 0.508 174 K N 1.438 121.827 120.400 -0.018 0.000 2.015 174 K HA -0.202 4.120 4.320 0.003 0.000 0.216 174 K C 1.988 178.566 176.600 -0.037 0.000 1.052 174 K CA 1.947 58.218 56.287 -0.027 0.000 0.937 174 K CB -0.080 32.414 32.500 -0.011 0.000 0.719 174 K HN 0.409 nan 8.250 nan 0.000 0.446 175 A N 1.381 124.188 122.820 -0.022 0.000 1.859 175 A HA -0.237 4.085 4.320 0.003 0.000 0.217 175 A C 2.403 179.967 177.584 -0.033 0.000 1.198 175 A CA 2.411 54.434 52.037 -0.023 0.000 0.629 175 A CB -1.283 17.711 19.000 -0.009 0.000 0.830 175 A HN 0.402 nan 8.150 nan 0.000 0.446 176 A N -1.874 120.930 122.820 -0.027 0.000 2.131 176 A HA -0.157 4.164 4.320 0.003 0.000 0.220 176 A C 2.271 179.832 177.584 -0.039 0.000 1.158 176 A CA 1.861 53.882 52.037 -0.027 0.000 0.665 176 A CB -1.086 17.902 19.000 -0.020 0.000 0.795 176 A HN 0.844 nan 8.150 nan 0.000 0.460 177 c N -2.178 116.390 118.600 -0.052 0.000 2.520 177 c HA 0.285 4.857 4.570 0.003 0.000 0.291 177 c C 2.288 176.315 174.090 -0.106 0.000 1.364 177 c CA 0.887 57.174 56.329 -0.070 0.000 1.781 177 c CB -0.945 41.524 42.510 -0.069 0.000 2.171 177 c HN 0.531 nan 8.230 nan 0.000 0.516 178 L N 0.804 121.951 121.223 -0.126 0.000 2.049 178 L HA 0.166 4.508 4.340 0.003 0.000 0.203 178 L C 2.220 178.999 176.870 -0.151 0.000 1.074 178 L CA 1.758 56.482 54.840 -0.193 0.000 0.749 178 L CB -1.109 40.813 42.059 -0.229 0.000 0.907 178 L HN 0.171 nan 8.230 nan 0.000 0.439 179 L N 0.809 121.977 121.223 -0.091 0.000 2.010 179 L HA -0.204 4.138 4.340 0.003 0.000 0.219 179 L C -0.333 176.504 176.870 -0.054 0.000 1.077 179 L CA 2.612 57.418 54.840 -0.057 0.000 0.773 179 L CB -2.539 39.503 42.059 -0.029 0.000 0.892 179 L HN 0.280 nan 8.230 nan 0.000 0.436 180 P HA -0.182 nan 4.420 nan 0.000 0.216 180 P C 1.488 178.751 177.300 -0.063 0.000 1.153 180 P CA 1.492 64.567 63.100 -0.043 0.000 0.848 180 P CB -0.006 31.674 31.700 -0.033 0.000 0.787 181 K N -0.317 120.023 120.400 -0.101 0.000 2.097 181 K HA -0.041 4.280 4.320 0.003 0.000 0.206 181 K C 2.388 178.892 176.600 -0.161 0.000 1.049 181 K CA 1.011 57.215 56.287 -0.138 0.000 0.933 181 K CB -0.539 31.849 32.500 -0.186 0.000 0.717 181 K HN 0.170 nan 8.250 nan 0.000 0.442 182 L N 1.052 122.192 121.223 -0.138 0.000 2.056 182 L HA -0.201 4.140 4.340 0.003 0.000 0.207 182 L C 1.927 178.784 176.870 -0.022 0.000 1.078 182 L CA 1.102 55.902 54.840 -0.067 0.000 0.749 182 L CB -0.412 41.634 42.059 -0.022 0.000 0.901 182 L HN 0.197 nan 8.230 nan 0.000 0.433 183 D N -0.178 120.208 120.400 -0.023 0.000 2.117 183 D HA -0.234 4.408 4.640 0.003 0.000 0.197 183 D C 1.973 178.269 176.300 -0.006 0.000 0.987 183 D CA 1.262 55.260 54.000 -0.003 0.000 0.829 183 D CB -0.030 40.772 40.800 0.003 0.000 0.961 183 D HN 0.396 nan 8.370 nan 0.000 0.460 184 E N 0.181 120.369 120.200 -0.021 0.000 2.085 184 E HA -0.189 4.163 4.350 0.003 0.000 0.194 184 E C 2.063 178.653 176.600 -0.017 0.000 0.994 184 E CA 0.577 56.972 56.400 -0.010 0.000 0.801 184 E CB 0.016 29.705 29.700 -0.018 0.000 0.743 184 E HN 0.025 nan 8.360 nan 0.000 0.453 185 L N 1.365 122.540 121.223 -0.080 0.000 2.017 185 L HA -0.165 4.176 4.340 0.003 0.000 0.208 185 L C 2.606 179.458 176.870 -0.031 0.000 1.073 185 L CA 2.190 56.954 54.840 -0.126 0.000 0.745 185 L CB -0.780 40.972 42.059 -0.512 0.000 0.894 185 L HN 0.216 nan 8.230 nan 0.000 0.432 186 R N -1.323 119.184 120.500 0.011 0.000 2.115 186 R HA -0.072 4.270 4.340 0.003 0.000 0.226 186 R C 1.710 177.984 176.300 -0.043 0.000 1.100 186 R CA 1.400 57.495 56.100 -0.007 0.000 0.980 186 R CB -1.054 29.257 30.300 0.018 0.000 0.875 186 R HN 0.192 nan 8.270 nan 0.000 0.445 187 D N 0.924 121.318 120.400 -0.011 0.000 2.097 187 D HA -0.174 4.468 4.640 0.003 0.000 0.195 187 D C 1.721 178.018 176.300 -0.006 0.000 0.989 187 D CA 1.540 55.537 54.000 -0.004 0.000 0.827 187 D CB -0.265 40.546 40.800 0.018 0.000 0.966 187 D HN 0.520 nan 8.370 nan 0.000 0.456 188 E N -0.099 120.120 120.200 0.031 0.000 2.110 188 E HA -0.110 4.242 4.350 0.003 0.000 0.193 188 E C 2.101 178.750 176.600 0.083 0.000 0.988 188 E CA 1.120 57.581 56.400 0.102 0.000 0.804 188 E CB -0.188 29.641 29.700 0.215 0.000 0.745 188 E HN 0.267 nan 8.360 nan 0.000 0.458 189 G N 0.981 109.707 108.800 -0.123 0.000 2.418 189 G HA2 -0.265 3.696 3.960 0.003 0.000 0.217 189 G HA3 -0.265 3.696 3.960 0.003 0.000 0.217 189 G C 1.458 176.192 174.900 -0.277 0.000 1.158 189 G CA 0.746 45.537 45.100 -0.515 0.000 0.771 189 G HN 0.159 nan 8.290 nan 0.000 0.545 190 K N 0.535 120.833 120.400 -0.169 0.000 2.063 190 K HA -0.007 4.315 4.320 0.003 0.000 0.208 190 K C 2.939 179.522 176.600 -0.028 0.000 1.048 190 K CA 1.071 57.302 56.287 -0.093 0.000 0.928 190 K CB -0.217 32.252 32.500 -0.052 0.000 0.713 190 K HN 0.277 nan 8.250 nan 0.000 0.442 191 A N 0.740 123.549 122.820 -0.017 0.000 1.898 191 A HA -0.168 4.154 4.320 0.003 0.000 0.216 191 A C 2.222 179.834 177.584 0.046 0.000 1.181 191 A CA 1.900 53.930 52.037 -0.012 0.000 0.620 191 A CB -0.675 18.287 19.000 -0.063 0.000 0.819 191 A HN 0.255 nan 8.150 nan 0.000 0.442 192 S N -0.710 115.065 115.700 0.125 0.000 2.370 192 S HA -0.159 4.313 4.470 0.003 0.000 0.226 192 S C 2.364 177.115 174.600 0.251 0.000 1.033 192 S CA 1.983 60.327 58.200 0.239 0.000 1.011 192 S CB -0.399 63.094 63.200 0.488 0.000 0.852 192 S HN 0.645 nan 8.310 nan 0.000 0.457 193 S N 0.543 116.395 115.700 0.254 0.000 2.355 193 S HA 0.040 4.512 4.470 0.003 0.000 0.222 193 S C 2.113 176.801 174.600 0.147 0.000 1.031 193 S CA 1.317 59.677 58.200 0.267 0.000 0.993 193 S CB -0.736 62.556 63.200 0.154 0.000 0.859 193 S HN 0.651 nan 8.310 nan 0.000 0.453 194 A N 1.438 124.309 122.820 0.086 0.000 1.940 194 A HA -0.138 4.183 4.320 0.003 0.000 0.219 194 A C 2.149 179.754 177.584 0.035 0.000 1.176 194 A CA 1.736 53.803 52.037 0.050 0.000 0.631 194 A CB -0.575 18.438 19.000 0.022 0.000 0.814 194 A HN 0.621 nan 8.150 nan 0.000 0.446 195 K N -0.697 119.723 120.400 0.033 0.000 2.025 195 K HA -0.169 4.153 4.320 0.003 0.000 0.207 195 K C 2.374 178.975 176.600 0.001 0.000 1.049 195 K CA 1.622 57.913 56.287 0.008 0.000 0.933 195 K CB -0.255 32.248 32.500 0.006 0.000 0.714 195 K HN 0.620 nan 8.250 nan 0.000 0.438 196 Q N 0.452 120.262 119.800 0.016 0.000 2.096 196 Q HA -0.182 4.159 4.340 0.003 0.000 0.204 196 Q C 2.163 178.154 176.000 -0.015 0.000 0.982 196 Q CA 1.559 57.352 55.803 -0.018 0.000 0.850 196 Q CB -0.129 28.598 28.738 -0.019 0.000 0.901 196 Q HN 0.275 nan 8.270 nan 0.000 0.422 197 R N 0.219 120.728 120.500 0.015 0.000 2.066 197 R HA -0.129 4.213 4.340 0.003 0.000 0.232 197 R C 2.362 178.653 176.300 -0.015 0.000 1.131 197 R CA 1.039 57.135 56.100 -0.007 0.000 0.955 197 R CB -0.521 29.789 30.300 0.017 0.000 0.851 197 R HN 0.157 nan 8.270 nan 0.000 0.432 198 L N 1.868 123.090 121.223 -0.002 0.000 2.012 198 L HA -0.211 4.130 4.340 0.003 0.000 0.210 198 L C 1.631 178.500 176.870 -0.002 0.000 1.073 198 L CA 1.913 56.754 54.840 0.000 0.000 0.748 198 L CB -0.244 41.813 42.059 -0.004 0.000 0.891 198 L HN -0.012 nan 8.230 nan 0.000 0.431 199 K N -1.389 119.002 120.400 -0.015 0.000 2.148 199 K HA -0.124 4.197 4.320 0.003 0.000 0.204 199 K C 2.104 178.731 176.600 0.045 0.000 1.050 199 K CA 1.455 57.751 56.287 0.014 0.000 0.942 199 K CB -0.503 32.027 32.500 0.049 0.000 0.724 199 K HN 0.438 nan 8.250 nan 0.000 0.446 200 c N 0.598 119.194 118.600 -0.007 0.000 2.466 200 c HA 0.017 4.589 4.570 0.003 0.000 0.278 200 c C 2.928 176.990 174.090 -0.046 0.000 1.288 200 c CA 0.663 56.965 56.329 -0.045 0.000 1.722 200 c CB -0.796 41.663 42.510 -0.085 0.000 2.017 200 c HN 0.554 nan 8.230 nan 0.000 0.488 201 A N 0.808 123.603 122.820 -0.040 0.000 1.892 201 A HA -0.207 4.115 4.320 0.003 0.000 0.218 201 A C 2.248 179.803 177.584 -0.048 0.000 1.188 201 A CA 2.533 54.538 52.037 -0.053 0.000 0.631 201 A CB -0.924 18.053 19.000 -0.038 0.000 0.822 201 A HN 0.569 nan 8.150 nan 0.000 0.447 202 S N -0.482 115.243 115.700 0.042 0.000 2.359 202 S HA -0.166 4.306 4.470 0.003 0.000 0.224 202 S C 1.851 176.544 174.600 0.155 0.000 1.035 202 S CA 1.405 59.716 58.200 0.185 0.000 1.018 202 S CB -0.564 62.789 63.200 0.256 0.000 0.876 202 S HN 0.548 nan 8.310 nan 0.000 0.448 203 L N 1.093 122.367 121.223 0.084 0.000 2.261 203 L HA -0.239 4.103 4.340 0.003 0.000 0.216 203 L C 2.801 179.653 176.870 -0.030 0.000 1.114 203 L CA 1.641 56.481 54.840 0.000 0.000 0.777 203 L CB -0.666 41.282 42.059 -0.184 0.000 0.910 203 L HN 0.513 nan 8.230 nan 0.000 0.440 204 Q N 0.169 119.934 119.800 -0.058 0.000 2.013 204 Q HA -0.163 4.179 4.340 0.003 0.000 0.195 204 Q C 2.124 178.047 176.000 -0.128 0.000 0.974 204 Q CA 1.454 57.203 55.803 -0.089 0.000 0.826 204 Q CB -0.536 28.142 28.738 -0.101 0.000 0.895 204 Q HN 0.535 nan 8.270 nan 0.000 0.448 205 K N -0.024 120.227 120.400 -0.248 0.000 1.965 205 K HA -0.014 4.307 4.320 0.003 0.000 0.220 205 K C 1.918 178.323 176.600 -0.325 0.000 1.046 205 K CA 1.695 57.726 56.287 -0.426 0.000 0.974 205 K CB -0.535 31.426 32.500 -0.899 0.000 0.738 205 K HN 0.449 nan 8.250 nan 0.000 0.444 206 F N 1.199 121.171 119.950 0.037 0.000 2.373 206 F HA -0.059 4.470 4.527 0.004 0.000 0.300 206 F C 1.442 177.279 175.800 0.062 0.000 1.080 206 F CA 0.562 58.594 58.000 0.054 0.000 1.417 206 F CB -0.595 38.449 39.000 0.073 0.000 1.070 206 F HN 0.372 nan 8.300 nan 0.000 0.546 207 G N 0.431 109.331 108.800 0.167 0.000 2.746 207 G HA2 -0.278 3.684 3.960 0.003 0.000 0.685 207 G HA3 -0.278 3.684 3.960 0.003 0.000 0.685 207 G C 0.270 175.267 174.900 0.163 0.000 1.350 207 G CA -0.035 45.140 45.100 0.124 0.000 0.837 207 G HN 0.286 nan 8.290 nan 0.000 0.564 208 E N -0.328 119.939 120.200 0.112 0.000 2.077 208 E HA -0.156 4.196 4.350 0.003 0.000 0.193 208 E C 2.535 179.256 176.600 0.201 0.000 0.989 208 E CA 1.328 57.809 56.400 0.136 0.000 0.800 208 E CB -0.058 29.682 29.700 0.066 0.000 0.746 208 E HN 0.527 nan 8.360 nan 0.000 0.452 209 R N 0.056 120.651 120.500 0.158 0.000 2.094 209 R HA -0.198 4.144 4.340 0.003 0.000 0.239 209 R C 2.229 178.634 176.300 0.174 0.000 1.137 209 R CA 1.606 57.797 56.100 0.152 0.000 0.943 209 R CB -0.373 30.001 30.300 0.123 0.000 0.850 209 R HN 0.204 nan 8.270 nan 0.000 0.433 210 A N -0.009 122.925 122.820 0.191 0.000 1.972 210 A HA -0.187 4.135 4.320 0.003 0.000 0.219 210 A C 1.968 179.685 177.584 0.222 0.000 1.169 210 A CA 1.278 53.426 52.037 0.185 0.000 0.635 210 A CB -0.691 18.423 19.000 0.191 0.000 0.810 210 A HN 0.563 nan 8.150 nan 0.000 0.446 211 F N 0.376 120.402 119.950 0.126 0.000 2.128 211 F HA -0.042 4.487 4.527 0.003 0.000 0.295 211 F C 2.160 178.031 175.800 0.119 0.000 1.100 211 F CA 1.893 59.955 58.000 0.102 0.000 1.260 211 F CB -0.123 38.902 39.000 0.041 0.000 1.009 211 F HN 0.063 nan 8.300 nan 0.000 0.476 212 K N 0.249 120.802 120.400 0.256 0.000 2.103 212 K HA -0.186 4.135 4.320 0.003 0.000 0.207 212 K C 2.255 178.890 176.600 0.057 0.000 1.048 212 K CA 1.161 57.539 56.287 0.151 0.000 0.930 212 K CB -0.505 32.098 32.500 0.172 0.000 0.716 212 K HN 0.384 nan 8.250 nan 0.000 0.444 213 A N 0.641 123.511 122.820 0.083 0.000 1.858 213 A HA -0.204 4.117 4.320 0.003 0.000 0.216 213 A C 1.897 179.482 177.584 0.002 0.000 1.190 213 A CA 1.352 53.423 52.037 0.056 0.000 0.617 213 A CB -1.088 17.951 19.000 0.064 0.000 0.827 213 A HN 0.522 nan 8.150 nan 0.000 0.443 214 W N 0.196 121.384 121.300 -0.187 0.000 2.304 214 W HA -0.274 4.388 4.660 0.003 0.000 0.315 214 W C 2.681 179.034 176.519 -0.278 0.000 1.233 214 W CA 2.829 60.025 57.345 -0.248 0.000 1.261 214 W CB -0.133 29.118 29.460 -0.349 0.000 1.150 214 W HN 0.411 nan 8.180 nan 0.000 0.494 215 A N -0.931 121.865 122.820 -0.041 0.000 1.898 215 A HA -0.180 4.142 4.320 0.003 0.000 0.216 215 A C 1.947 179.499 177.584 -0.053 0.000 1.181 215 A CA 2.122 54.106 52.037 -0.089 0.000 0.620 215 A CB -1.218 17.663 19.000 -0.198 0.000 0.819 215 A HN 0.129 nan 8.150 nan 0.000 0.442 216 V N 0.001 119.898 119.914 -0.029 0.000 2.332 216 V HA -0.290 3.832 4.120 0.003 0.000 0.248 216 V C 3.059 179.145 176.094 -0.014 0.000 1.055 216 V CA 2.044 64.356 62.300 0.019 0.000 1.038 216 V CB -1.320 30.555 31.823 0.086 0.000 0.651 216 V HN 0.628 nan 8.190 nan 0.000 0.450 217 A N 0.035 122.792 122.820 -0.105 0.000 1.858 217 A HA -0.275 4.046 4.320 0.003 0.000 0.216 217 A C 2.325 179.784 177.584 -0.208 0.000 1.190 217 A CA 2.318 54.241 52.037 -0.190 0.000 0.617 217 A CB -0.548 18.244 19.000 -0.346 0.000 0.827 217 A HN 0.457 nan 8.150 nan 0.000 0.443 218 R N -0.258 120.103 120.500 -0.233 0.000 2.070 218 R HA 0.033 4.375 4.340 0.003 0.000 0.233 218 R C 2.041 178.226 176.300 -0.191 0.000 1.137 218 R CA 1.464 57.447 56.100 -0.196 0.000 0.945 218 R CB -0.631 29.626 30.300 -0.071 0.000 0.845 218 R HN 0.510 nan 8.270 nan 0.000 0.430 219 L N -0.062 121.073 121.223 -0.147 0.000 2.131 219 L HA -0.158 4.184 4.340 0.003 0.000 0.210 219 L C 2.067 178.852 176.870 -0.141 0.000 1.092 219 L CA 1.471 56.198 54.840 -0.189 0.000 0.759 219 L CB -0.350 41.703 42.059 -0.009 0.000 0.903 219 L HN 0.273 nan 8.230 nan 0.000 0.435 220 S N -0.906 114.772 115.700 -0.037 0.000 2.414 220 S HA -0.138 4.334 4.470 0.003 0.000 0.227 220 S C 1.860 176.404 174.600 -0.093 0.000 1.022 220 S CA 0.794 59.009 58.200 0.025 0.000 0.958 220 S CB 0.009 63.253 63.200 0.073 0.000 0.797 220 S HN 0.463 nan 8.310 nan 0.000 0.493 221 Q N 0.558 120.267 119.800 -0.153 0.000 2.079 221 Q HA -0.022 4.319 4.340 0.003 0.000 0.200 221 Q C 2.380 178.277 176.000 -0.172 0.000 0.974 221 Q CA 1.078 56.783 55.803 -0.164 0.000 0.840 221 Q CB -0.104 28.536 28.738 -0.164 0.000 0.898 221 Q HN 0.249 nan 8.270 nan 0.000 0.430 222 R N -0.230 120.102 120.500 -0.280 0.000 2.073 222 R HA -0.048 4.293 4.340 0.003 0.000 0.229 222 R C 0.152 176.322 176.300 -0.218 0.000 1.120 222 R CA 0.999 56.867 56.100 -0.388 0.000 0.967 222 R CB 0.281 30.114 30.300 -0.778 0.000 0.862 222 R HN 0.064 nan 8.270 nan 0.000 0.436 223 F N 1.133 121.083 119.950 -0.001 0.000 2.550 223 F HA 0.362 4.891 4.527 0.004 0.000 0.312 223 F C -1.691 174.124 175.800 0.026 0.000 1.256 223 F CA -3.244 54.765 58.000 0.015 0.000 1.182 223 F CB 1.022 40.043 39.000 0.034 0.000 1.383 223 F HN 0.008 nan 8.300 nan 0.000 0.541 224 P HA -0.184 nan 4.420 nan 0.000 0.223 224 P C 0.893 178.229 177.300 0.061 0.000 1.144 224 P CA 1.389 64.502 63.100 0.021 0.000 0.783 224 P CB 0.345 32.007 31.700 -0.063 0.000 0.771 225 K N -0.537 119.925 120.400 0.105 0.000 2.356 225 K HA 0.216 4.538 4.320 0.003 0.000 0.195 225 K C 1.189 177.868 176.600 0.132 0.000 1.037 225 K CA -0.081 56.260 56.287 0.089 0.000 1.014 225 K CB 0.024 32.555 32.500 0.052 0.000 0.815 225 K HN 0.053 nan 8.250 nan 0.000 0.507 226 A N 2.473 125.399 122.820 0.176 0.000 2.498 226 A HA -0.044 4.277 4.320 0.003 0.000 0.239 226 A C 0.028 177.740 177.584 0.213 0.000 1.068 226 A CA -0.096 52.034 52.037 0.155 0.000 0.766 226 A CB 0.062 19.155 19.000 0.156 0.000 1.003 226 A HN 0.307 nan 8.150 nan 0.000 0.497 227 E N 1.342 121.609 120.200 0.113 0.000 2.383 227 E HA 0.091 4.443 4.350 0.003 0.000 0.264 227 E C 0.351 176.909 176.600 -0.069 0.000 1.050 227 E CA -0.353 56.102 56.400 0.091 0.000 0.896 227 E CB 0.288 30.024 29.700 0.059 0.000 0.982 227 E HN 0.596 nan 8.360 nan 0.000 0.424 228 F N 3.994 123.700 119.950 -0.406 0.000 2.202 228 F HA -0.168 4.361 4.527 0.003 0.000 0.301 228 F C 1.768 177.393 175.800 -0.293 0.000 1.082 228 F CA 1.876 59.450 58.000 -0.710 0.000 1.313 228 F CB -0.172 38.399 39.000 -0.714 0.000 1.024 228 F HN 0.591 nan 8.300 nan 0.000 0.495 229 A N -0.467 122.233 122.820 -0.201 0.000 1.969 229 A HA -0.153 4.169 4.320 0.003 0.000 0.218 229 A C 2.044 179.502 177.584 -0.209 0.000 1.169 229 A CA 1.593 53.515 52.037 -0.192 0.000 0.635 229 A CB -0.711 18.277 19.000 -0.019 0.000 0.810 229 A HN 0.422 nan 8.150 nan 0.000 0.445 230 E N -0.075 120.039 120.200 -0.143 0.000 2.072 230 E HA -0.093 4.259 4.350 0.003 0.000 0.191 230 E C 1.863 178.405 176.600 -0.097 0.000 0.985 230 E CA 1.381 57.745 56.400 -0.061 0.000 0.801 230 E CB -0.352 29.343 29.700 -0.008 0.000 0.750 230 E HN 0.241 nan 8.360 nan 0.000 0.452 231 V N 0.233 120.033 119.914 -0.189 0.000 2.407 231 V HA -0.237 3.885 4.120 0.003 0.000 0.248 231 V C 2.257 178.193 176.094 -0.263 0.000 1.055 231 V CA 1.917 64.118 62.300 -0.165 0.000 1.049 231 V CB -0.530 31.181 31.823 -0.188 0.000 0.662 231 V HN 0.222 nan 8.190 nan 0.000 0.455 232 S N -0.132 115.277 115.700 -0.485 0.000 2.368 232 S HA -0.203 4.269 4.470 0.003 0.000 0.224 232 S C 2.012 176.500 174.600 -0.188 0.000 1.029 232 S CA 1.702 59.672 58.200 -0.384 0.000 0.988 232 S CB -0.300 62.611 63.200 -0.481 0.000 0.838 232 S HN 0.585 nan 8.310 nan 0.000 0.462 233 K N 2.186 122.485 120.400 -0.168 0.000 2.009 233 K HA -0.007 4.314 4.320 0.003 0.000 0.210 233 K C 1.786 178.318 176.600 -0.113 0.000 1.049 233 K CA 1.505 57.713 56.287 -0.131 0.000 0.929 233 K CB -0.866 31.566 32.500 -0.113 0.000 0.714 233 K HN 0.338 nan 8.250 nan 0.000 0.440 234 L N 0.130 121.317 121.223 -0.059 0.000 2.083 234 L HA -0.132 4.210 4.340 0.003 0.000 0.209 234 L C 2.344 179.218 176.870 0.006 0.000 1.083 234 L CA 0.887 55.729 54.840 0.003 0.000 0.752 234 L CB -0.452 41.666 42.059 0.098 0.000 0.899 234 L HN 0.007 nan 8.230 nan 0.000 0.433 235 V N -0.556 119.350 119.914 -0.014 0.000 2.427 235 V HA -0.252 3.870 4.120 0.003 0.000 0.248 235 V C 2.530 178.645 176.094 0.035 0.000 1.051 235 V CA 2.216 64.523 62.300 0.012 0.000 1.048 235 V CB -0.703 31.116 31.823 -0.007 0.000 0.666 235 V HN 0.485 nan 8.190 nan 0.000 0.456 236 T N -0.218 114.333 114.554 -0.005 0.000 2.701 236 T HA -0.172 4.179 4.350 0.003 0.000 0.263 236 T C 1.644 176.340 174.700 -0.006 0.000 1.040 236 T CA 1.693 63.791 62.100 -0.003 0.000 1.147 236 T CB -0.364 68.482 68.868 -0.035 0.000 0.865 236 T HN 0.467 nan 8.240 nan 0.000 0.426 237 D N 0.927 121.307 120.400 -0.033 0.000 2.144 237 D HA -0.012 4.630 4.640 0.003 0.000 0.200 237 D C 2.000 178.310 176.300 0.017 0.000 0.978 237 D CA 0.432 54.413 54.000 -0.030 0.000 0.833 237 D CB -0.452 40.302 40.800 -0.077 0.000 0.961 237 D HN 0.172 nan 8.370 nan 0.000 0.470 238 L N 0.634 121.881 121.223 0.040 0.000 2.093 238 L HA -0.112 4.230 4.340 0.003 0.000 0.208 238 L C 2.141 179.052 176.870 0.068 0.000 1.085 238 L CA 1.530 56.408 54.840 0.063 0.000 0.755 238 L CB -0.631 41.457 42.059 0.048 0.000 0.904 238 L HN -0.071 nan 8.230 nan 0.000 0.435 239 T N -0.654 113.958 114.554 0.096 0.000 2.821 239 T HA -0.201 4.151 4.350 0.003 0.000 0.267 239 T C 1.885 176.539 174.700 -0.076 0.000 1.046 239 T CA 1.559 63.664 62.100 0.008 0.000 1.139 239 T CB -0.137 68.779 68.868 0.080 0.000 0.871 239 T HN 0.325 nan 8.240 nan 0.000 0.454 240 K N 0.891 121.279 120.400 -0.021 0.000 2.057 240 K HA -0.059 4.262 4.320 0.003 0.000 0.206 240 K C 2.211 178.810 176.600 -0.001 0.000 1.050 240 K CA 0.929 57.202 56.287 -0.024 0.000 0.935 240 K CB -0.278 32.214 32.500 -0.014 0.000 0.715 240 K HN 0.137 nan 8.250 nan 0.000 0.439 241 V N 1.396 121.335 119.914 0.040 0.000 2.255 241 V HA -0.269 3.852 4.120 0.003 0.000 0.247 241 V C 2.206 178.355 176.094 0.092 0.000 1.051 241 V CA 1.997 64.343 62.300 0.076 0.000 1.018 241 V CB -0.628 31.272 31.823 0.128 0.000 0.641 241 V HN 0.466 nan 8.190 nan 0.000 0.445 242 H N -0.886 118.124 119.070 -0.100 0.000 2.428 242 H HA -0.109 4.449 4.556 0.003 0.000 0.296 242 H C 2.475 177.699 175.328 -0.175 0.000 1.062 242 H CA 1.477 57.438 56.048 -0.145 0.000 1.350 242 H CB 0.017 29.671 29.762 -0.180 0.000 1.403 242 H HN 0.401 nan 8.280 nan 0.000 0.533 243 T N 0.913 115.420 114.554 -0.079 0.000 2.652 243 T HA -0.152 4.200 4.350 0.003 0.000 0.267 243 T C 1.810 176.488 174.700 -0.037 0.000 1.039 243 T CA 1.461 63.499 62.100 -0.104 0.000 1.153 243 T CB -0.144 68.652 68.868 -0.119 0.000 0.863 243 T HN 0.509 nan 8.240 nan 0.000 0.428 244 E N 0.081 120.274 120.200 -0.011 0.000 2.072 244 E HA -0.096 4.256 4.350 0.003 0.000 0.191 244 E C 2.459 179.099 176.600 0.066 0.000 0.985 244 E CA 1.100 57.526 56.400 0.044 0.000 0.801 244 E CB -0.284 29.441 29.700 0.041 0.000 0.750 244 E HN 0.463 nan 8.360 nan 0.000 0.452 245 c N 0.409 119.006 118.600 -0.005 0.000 2.432 245 c HA -0.060 4.512 4.570 0.003 0.000 0.282 245 c C 2.727 176.803 174.090 -0.023 0.000 1.388 245 c CA -0.057 56.248 56.329 -0.039 0.000 1.777 245 c CB -0.870 41.526 42.510 -0.190 0.000 1.882 245 c HN 0.584 nan 8.230 nan 0.000 0.520 246 c N -1.289 117.294 118.600 -0.028 0.000 2.485 246 c HA -0.063 4.509 4.570 0.003 0.000 0.278 246 c C 2.597 176.696 174.090 0.014 0.000 1.356 246 c CA 0.553 56.857 56.329 -0.043 0.000 1.747 246 c CB -1.650 40.817 42.510 -0.071 0.000 2.001 246 c HN 0.700 nan 8.230 nan 0.000 0.501 247 H N 0.490 119.537 119.070 -0.038 0.000 2.489 247 H HA -0.031 4.527 4.556 0.003 0.000 0.295 247 H C 1.878 177.247 175.328 0.068 0.000 1.082 247 H CA 1.186 57.231 56.048 -0.005 0.000 1.295 247 H CB -0.090 29.677 29.762 0.008 0.000 1.380 247 H HN 0.557 nan 8.280 nan 0.000 0.548 248 G N 0.927 109.777 108.800 0.084 0.000 2.157 248 G HA2 -0.233 3.729 3.960 0.003 0.000 0.239 248 G HA3 -0.233 3.729 3.960 0.003 0.000 0.239 248 G C -0.084 174.870 174.900 0.090 0.000 0.982 248 G CA 0.281 45.472 45.100 0.152 0.000 0.650 248 G HN 0.547 nan 8.290 nan 0.000 0.527 249 D N 1.037 121.488 120.400 0.085 0.000 2.393 249 D HA 0.316 4.958 4.640 0.003 0.000 0.232 249 D C 1.781 178.167 176.300 0.142 0.000 1.192 249 D CA -0.477 53.604 54.000 0.135 0.000 0.882 249 D CB 0.793 41.697 40.800 0.174 0.000 1.038 249 D HN 0.104 nan 8.370 nan 0.000 0.499 250 L N 5.508 126.793 121.223 0.104 0.000 2.034 250 L HA -0.246 4.096 4.340 0.003 0.000 0.217 250 L C 1.896 178.800 176.870 0.056 0.000 1.077 250 L CA 1.868 56.747 54.840 0.065 0.000 0.769 250 L CB -0.632 41.397 42.059 -0.049 0.000 0.890 250 L HN 0.538 nan 8.230 nan 0.000 0.435 251 L N -0.873 120.360 121.223 0.017 0.000 1.976 251 L HA -0.224 4.118 4.340 0.003 0.000 0.209 251 L C 2.634 179.529 176.870 0.041 0.000 1.071 251 L CA 1.701 56.519 54.840 -0.038 0.000 0.746 251 L CB -0.664 41.257 42.059 -0.231 0.000 0.890 251 L HN 0.341 nan 8.230 nan 0.000 0.432 252 E N -0.229 120.044 120.200 0.122 0.000 2.058 252 E HA -0.274 4.078 4.350 0.003 0.000 0.194 252 E C 2.259 178.914 176.600 0.092 0.000 0.997 252 E CA 1.853 58.327 56.400 0.123 0.000 0.801 252 E CB -0.654 29.147 29.700 0.169 0.000 0.746 252 E HN 0.497 nan 8.360 nan 0.000 0.450 253 c N 0.184 118.845 118.600 0.103 0.000 2.393 253 c HA -0.120 4.452 4.570 0.003 0.000 0.276 253 c C 2.811 176.953 174.090 0.086 0.000 1.215 253 c CA 1.921 58.295 56.329 0.076 0.000 1.743 253 c CB -1.478 41.093 42.510 0.101 0.000 2.044 253 c HN 0.573 nan 8.230 nan 0.000 0.464 254 A N 0.168 123.087 122.820 0.165 0.000 1.902 254 A HA -0.177 4.145 4.320 0.003 0.000 0.217 254 A C 1.947 179.588 177.584 0.094 0.000 1.181 254 A CA 2.221 54.370 52.037 0.187 0.000 0.623 254 A CB -0.752 18.332 19.000 0.140 0.000 0.818 254 A HN 0.729 nan 8.150 nan 0.000 0.443 255 D N 0.112 120.549 120.400 0.061 0.000 2.144 255 D HA -0.113 4.528 4.640 0.003 0.000 0.200 255 D C 1.205 177.533 176.300 0.047 0.000 0.978 255 D CA 1.274 55.301 54.000 0.046 0.000 0.833 255 D CB -0.382 40.441 40.800 0.039 0.000 0.961 255 D HN 0.391 nan 8.370 nan 0.000 0.470 256 D N 0.811 121.237 120.400 0.044 0.000 2.117 256 D HA -0.101 4.540 4.640 0.003 0.000 0.197 256 D C 2.169 178.490 176.300 0.035 0.000 0.987 256 D CA 0.636 54.657 54.000 0.036 0.000 0.829 256 D CB -0.102 40.715 40.800 0.029 0.000 0.961 256 D HN 0.226 nan 8.370 nan 0.000 0.460 257 R N 0.659 121.174 120.500 0.025 0.000 2.075 257 R HA -0.011 4.331 4.340 0.003 0.000 0.232 257 R C 2.320 178.649 176.300 0.049 0.000 1.126 257 R CA 1.145 57.256 56.100 0.020 0.000 0.963 257 R CB -0.224 30.057 30.300 -0.030 0.000 0.858 257 R HN 0.092 nan 8.270 nan 0.000 0.435 258 A N 1.597 124.452 122.820 0.058 0.000 1.855 258 A HA -0.193 4.129 4.320 0.003 0.000 0.215 258 A C 1.576 179.198 177.584 0.064 0.000 1.191 258 A CA 1.821 53.894 52.037 0.060 0.000 0.613 258 A CB -0.539 18.491 19.000 0.050 0.000 0.829 258 A HN 0.144 nan 8.150 nan 0.000 0.442 259 D N -0.571 119.867 120.400 0.063 0.000 2.133 259 D HA -0.160 4.481 4.640 0.003 0.000 0.195 259 D C 1.718 178.080 176.300 0.102 0.000 0.997 259 D CA 1.293 55.338 54.000 0.075 0.000 0.840 259 D CB -0.296 40.540 40.800 0.059 0.000 0.947 259 D HN 0.314 nan 8.370 nan 0.000 0.452 260 L N 0.206 121.482 121.223 0.088 0.000 2.156 260 L HA 0.066 4.408 4.340 0.003 0.000 0.208 260 L C 1.963 178.917 176.870 0.141 0.000 1.095 260 L CA 1.404 56.313 54.840 0.115 0.000 0.770 260 L CB -0.756 41.351 42.059 0.081 0.000 0.914 260 L HN -0.008 nan 8.230 nan 0.000 0.439 261 A N 0.200 123.079 122.820 0.099 0.000 1.929 261 A HA -0.197 4.124 4.320 0.003 0.000 0.216 261 A C 2.259 179.881 177.584 0.062 0.000 1.176 261 A CA 1.572 53.655 52.037 0.077 0.000 0.628 261 A CB -0.516 18.521 19.000 0.062 0.000 0.816 261 A HN 0.625 nan 8.150 nan 0.000 0.444 262 K N -1.880 118.564 120.400 0.073 0.000 2.155 262 K HA -0.158 4.164 4.320 0.003 0.000 0.203 262 K C 1.929 178.552 176.600 0.040 0.000 1.052 262 K CA 1.548 57.865 56.287 0.050 0.000 0.948 262 K CB -0.532 32.005 32.500 0.062 0.000 0.728 262 K HN 0.415 nan 8.250 nan 0.000 0.448 263 Y N 1.907 122.207 120.300 -0.001 0.000 2.163 263 Y HA -0.063 4.489 4.550 0.003 0.000 0.288 263 Y C 1.862 177.744 175.900 -0.030 0.000 1.136 263 Y CA 1.230 59.324 58.100 -0.011 0.000 1.147 263 Y CB -0.066 38.390 38.460 -0.006 0.000 0.987 263 Y HN -0.056 nan 8.280 nan 0.000 0.509 264 I N -0.919 119.624 120.570 -0.044 0.000 2.127 264 I HA -0.403 3.769 4.170 0.003 0.000 0.241 264 I C 2.476 178.471 176.117 -0.203 0.000 1.075 264 I CA 1.506 62.725 61.300 -0.134 0.000 1.334 264 I CB -0.712 37.276 38.000 -0.020 0.000 1.040 264 I HN 0.317 nan 8.210 nan 0.000 0.405 265 c N 0.576 119.103 118.600 -0.122 0.000 2.413 265 c HA -0.151 4.420 4.570 0.003 0.000 0.277 265 c C 2.626 176.635 174.090 -0.135 0.000 1.265 265 c CA 0.857 57.123 56.329 -0.106 0.000 1.752 265 c CB -1.154 41.325 42.510 -0.052 0.000 1.998 265 c HN 0.493 nan 8.230 nan 0.000 0.489 266 E N 0.431 120.527 120.200 -0.174 0.000 2.152 266 E HA -0.104 4.247 4.350 0.003 0.000 0.192 266 E C 1.151 177.619 176.600 -0.220 0.000 0.983 266 E CA 0.869 57.164 56.400 -0.174 0.000 0.818 266 E CB -0.205 29.394 29.700 -0.167 0.000 0.758 266 E HN 0.753 nan 8.360 nan 0.000 0.467 267 N N 0.671 119.171 118.700 -0.333 0.000 2.251 267 N HA -0.004 4.737 4.740 0.003 0.000 0.217 267 N C 1.236 176.605 175.510 -0.234 0.000 1.124 267 N CA -0.236 52.630 53.050 -0.306 0.000 0.843 267 N CB 0.351 38.562 38.487 -0.460 0.000 1.024 267 N HN 0.117 nan 8.380 nan 0.000 0.501 268 Q N 1.800 121.478 119.800 -0.203 0.000 2.084 268 Q HA -0.296 4.046 4.340 0.003 0.000 0.215 268 Q C 0.877 176.788 176.000 -0.149 0.000 1.020 268 Q CA 2.093 57.792 55.803 -0.173 0.000 0.887 268 Q CB 0.045 28.709 28.738 -0.122 0.000 0.975 268 Q HN 0.345 nan 8.270 nan 0.000 0.413 269 D N -0.287 120.047 120.400 -0.111 0.000 2.133 269 D HA -0.136 4.506 4.640 0.003 0.000 0.195 269 D C 1.757 178.010 176.300 -0.079 0.000 0.997 269 D CA 1.701 55.652 54.000 -0.081 0.000 0.840 269 D CB -0.299 40.465 40.800 -0.060 0.000 0.947 269 D HN 0.400 nan 8.370 nan 0.000 0.452 270 S N -0.784 114.861 115.700 -0.092 0.000 2.710 270 S HA 0.175 4.646 4.470 0.003 0.000 0.224 270 S C 1.480 176.025 174.600 -0.092 0.000 0.948 270 S CA -0.195 57.963 58.200 -0.070 0.000 0.949 270 S CB -0.159 63.006 63.200 -0.058 0.000 0.778 270 S HN 0.235 nan 8.310 nan 0.000 0.498 271 I N -0.855 119.623 120.570 -0.153 0.000 3.990 271 I HA 0.304 4.475 4.170 0.003 0.000 0.275 271 I C 0.567 176.520 176.117 -0.273 0.000 1.157 271 I CA -0.004 61.138 61.300 -0.263 0.000 1.338 271 I CB 0.898 38.634 38.000 -0.439 0.000 1.588 271 I HN 0.335 nan 8.210 nan 0.000 0.441 272 S N -0.649 114.913 115.700 -0.230 0.000 2.567 272 S HA 0.263 4.734 4.470 0.003 0.000 0.270 272 S C 0.209 174.771 174.600 -0.064 0.000 1.152 272 S CA 0.056 58.195 58.200 -0.101 0.000 0.835 272 S CB 1.489 64.639 63.200 -0.083 0.000 1.115 272 S HN 0.228 nan 8.310 nan 0.000 0.459 273 S N 1.699 117.392 115.700 -0.013 0.000 2.517 273 S HA 0.262 4.733 4.470 0.003 0.000 0.214 273 S C 0.712 175.311 174.600 -0.002 0.000 0.991 273 S CA -0.195 57.996 58.200 -0.014 0.000 0.906 273 S CB -0.204 62.992 63.200 -0.006 0.000 0.789 273 S HN 0.635 nan 8.310 nan 0.000 0.513 274 K N 1.102 121.515 120.400 0.020 0.000 2.437 274 K HA 0.348 4.670 4.320 0.003 0.000 0.198 274 K C 0.303 176.922 176.600 0.032 0.000 1.024 274 K CA 0.006 56.312 56.287 0.031 0.000 1.148 274 K CB -0.045 32.485 32.500 0.050 0.000 0.860 274 K HN 0.405 nan 8.250 nan 0.000 0.515 275 L N 0.522 121.751 121.223 0.009 0.000 2.685 275 L HA 0.066 4.407 4.340 0.003 0.000 0.233 275 L C 2.261 179.125 176.870 -0.011 0.000 1.173 275 L CA -0.105 54.735 54.840 -0.001 0.000 0.961 275 L CB -0.460 41.570 42.059 -0.048 0.000 1.217 275 L HN 0.112 nan 8.230 nan 0.000 0.478 276 K N 0.671 121.068 120.400 -0.006 0.000 1.973 276 K HA -0.125 4.197 4.320 0.003 0.000 0.210 276 K C 2.222 178.823 176.600 0.002 0.000 1.045 276 K CA 1.751 58.033 56.287 -0.007 0.000 0.937 276 K CB -1.131 31.366 32.500 -0.005 0.000 0.721 276 K HN 0.399 nan 8.250 nan 0.000 0.438 277 E N 0.400 120.605 120.200 0.009 0.000 2.033 277 E HA -0.215 4.137 4.350 0.003 0.000 0.199 277 E C 2.384 178.995 176.600 0.019 0.000 1.011 277 E CA 1.761 58.171 56.400 0.016 0.000 0.815 277 E CB -1.594 28.118 29.700 0.020 0.000 0.755 277 E HN 0.677 nan 8.360 nan 0.000 0.451 278 c N -0.212 118.401 118.600 0.021 0.000 2.392 278 c HA -0.197 4.374 4.570 0.003 0.000 0.276 278 c C 2.853 176.956 174.090 0.021 0.000 1.212 278 c CA 1.074 57.418 56.329 0.025 0.000 1.791 278 c CB -1.258 41.266 42.510 0.022 0.000 2.063 278 c HN 0.811 nan 8.230 nan 0.000 0.481 279 c N -0.042 118.563 118.600 0.009 0.000 2.539 279 c HA -0.002 4.570 4.570 0.003 0.000 0.268 279 c C 2.320 176.414 174.090 0.006 0.000 1.395 279 c CA 0.558 56.888 56.329 0.002 0.000 1.757 279 c CB -1.426 41.074 42.510 -0.016 0.000 1.851 279 c HN 0.638 nan 8.230 nan 0.000 0.545 280 E N 0.366 120.573 120.200 0.011 0.000 2.340 280 E HA 0.021 4.372 4.350 0.003 0.000 0.194 280 E C 0.693 177.306 176.600 0.021 0.000 0.996 280 E CA 0.154 56.561 56.400 0.013 0.000 0.869 280 E CB 0.224 29.931 29.700 0.011 0.000 0.835 280 E HN 0.586 nan 8.360 nan 0.000 0.493 281 K N 2.195 122.612 120.400 0.028 0.000 2.402 281 K HA 0.026 4.348 4.320 0.003 0.000 0.265 281 K C -2.210 174.412 176.600 0.037 0.000 0.978 281 K CA -0.736 55.574 56.287 0.038 0.000 0.913 281 K CB -0.227 32.303 32.500 0.051 0.000 0.954 281 K HN 0.029 nan 8.250 nan 0.000 0.511 282 P HA -0.023 nan 4.420 nan 0.000 0.279 282 P C 0.833 178.157 177.300 0.041 0.000 1.239 282 P CA -0.316 62.806 63.100 0.036 0.000 0.789 282 P CB 0.765 32.484 31.700 0.032 0.000 0.933 283 L N 4.133 125.375 121.223 0.033 0.000 2.125 283 L HA -0.295 4.047 4.340 0.003 0.000 0.234 283 L C 2.222 179.120 176.870 0.046 0.000 1.110 283 L CA 2.239 57.099 54.840 0.033 0.000 0.832 283 L CB -1.684 40.385 42.059 0.017 0.000 0.922 283 L HN 0.362 nan 8.230 nan 0.000 0.449 284 L N -0.526 120.722 121.223 0.042 0.000 2.043 284 L HA -0.253 4.088 4.340 0.003 0.000 0.212 284 L C 2.456 179.375 176.870 0.081 0.000 1.075 284 L CA 2.391 57.262 54.840 0.052 0.000 0.752 284 L CB -0.626 41.456 42.059 0.039 0.000 0.891 284 L HN 0.547 nan 8.230 nan 0.000 0.432 285 E N -1.536 118.716 120.200 0.087 0.000 2.250 285 E HA -0.112 4.239 4.350 0.003 0.000 0.192 285 E C 1.934 178.605 176.600 0.119 0.000 0.986 285 E CA 0.118 56.590 56.400 0.120 0.000 0.849 285 E CB 0.007 29.785 29.700 0.130 0.000 0.797 285 E HN 0.434 nan 8.360 nan 0.000 0.482 286 K N 1.094 121.544 120.400 0.084 0.000 2.023 286 K HA -0.261 4.061 4.320 0.003 0.000 0.227 286 K C 2.383 179.022 176.600 0.064 0.000 1.054 286 K CA 2.149 58.475 56.287 0.065 0.000 0.977 286 K CB -0.391 32.141 32.500 0.054 0.000 0.733 286 K HN -0.025 nan 8.250 nan 0.000 0.451 287 S N -0.031 115.713 115.700 0.073 0.000 2.368 287 S HA -0.256 4.216 4.470 0.003 0.000 0.226 287 S C 1.858 176.479 174.600 0.033 0.000 1.044 287 S CA 1.886 60.121 58.200 0.058 0.000 1.062 287 S CB -0.624 62.614 63.200 0.064 0.000 0.931 287 S HN 0.413 nan 8.310 nan 0.000 0.440 288 H N 0.502 119.551 119.070 -0.036 0.000 2.289 288 H HA -0.159 4.399 4.556 0.003 0.000 0.296 288 H C 2.522 177.779 175.328 -0.118 0.000 1.091 288 H CA 1.930 57.903 56.048 -0.125 0.000 1.274 288 H CB -0.984 28.653 29.762 -0.207 0.000 1.364 288 H HN 0.441 nan 8.280 nan 0.000 0.490 289 c N 0.051 118.588 118.600 -0.105 0.000 2.418 289 c HA -0.164 4.408 4.570 0.003 0.000 0.280 289 c C 2.911 176.940 174.090 -0.101 0.000 1.223 289 c CA 1.381 57.645 56.329 -0.108 0.000 1.736 289 c CB -1.410 41.109 42.510 0.015 0.000 2.056 289 c HN 0.701 nan 8.230 nan 0.000 0.459 290 I N 1.535 122.089 120.570 -0.028 0.000 2.118 290 I HA -0.265 3.906 4.170 0.003 0.000 0.241 290 I C 2.878 179.001 176.117 0.010 0.000 1.070 290 I CA 1.993 63.309 61.300 0.027 0.000 1.327 290 I CB -0.910 37.129 38.000 0.065 0.000 1.034 290 I HN 0.478 nan 8.210 nan 0.000 0.405 291 A N 0.087 122.880 122.820 -0.044 0.000 1.948 291 A HA -0.284 4.038 4.320 0.003 0.000 0.220 291 A C 2.223 179.748 177.584 -0.099 0.000 1.177 291 A CA 2.170 54.171 52.037 -0.058 0.000 0.636 291 A CB -0.623 18.322 19.000 -0.092 0.000 0.815 291 A HN 0.520 nan 8.150 nan 0.000 0.449 292 E N -0.922 119.173 120.200 -0.174 0.000 2.478 292 E HA 0.155 4.507 4.350 0.003 0.000 0.194 292 E C 0.263 176.815 176.600 -0.080 0.000 1.045 292 E CA -0.279 56.025 56.400 -0.160 0.000 0.868 292 E CB 0.119 29.650 29.700 -0.282 0.000 0.885 292 E HN 0.308 nan 8.360 nan 0.000 0.505 293 V N 1.705 121.594 119.914 -0.041 0.000 2.814 293 V HA -0.113 4.008 4.120 0.003 0.000 0.307 293 V C 0.157 176.251 176.094 0.000 0.000 1.089 293 V CA 0.433 62.736 62.300 0.006 0.000 1.212 293 V CB 1.205 33.073 31.823 0.075 0.000 0.912 293 V HN 0.155 nan 8.190 nan 0.000 0.497 294 E N 5.710 125.915 120.200 0.007 0.000 2.404 294 E HA 0.074 4.426 4.350 0.003 0.000 0.261 294 E C 0.182 176.784 176.600 0.002 0.000 1.074 294 E CA -0.536 55.862 56.400 -0.002 0.000 0.917 294 E CB 0.621 30.321 29.700 0.000 0.000 0.965 294 E HN 0.888 nan 8.360 nan 0.000 0.433 295 N N 3.260 121.946 118.700 -0.023 0.000 2.412 295 N HA 0.023 4.765 4.740 0.003 0.000 0.258 295 N C -0.162 175.354 175.510 0.009 0.000 1.236 295 N CA 0.127 53.159 53.050 -0.029 0.000 0.882 295 N CB 0.383 38.838 38.487 -0.055 0.000 1.066 295 N HN 0.595 nan 8.380 nan 0.000 0.465 296 D N 1.009 121.440 120.400 0.053 0.000 2.393 296 D HA 0.057 4.699 4.640 0.003 0.000 0.246 296 D C -0.296 176.012 176.300 0.013 0.000 1.275 296 D CA 0.006 54.041 54.000 0.059 0.000 0.979 296 D CB 0.714 41.581 40.800 0.113 0.000 1.101 296 D HN 0.345 nan 8.370 nan 0.000 0.505 297 E N 0.240 120.442 120.200 0.003 0.000 2.216 297 E HA 0.233 4.585 4.350 0.003 0.000 0.279 297 E C -0.172 176.411 176.600 -0.029 0.000 0.997 297 E CA -0.516 55.870 56.400 -0.022 0.000 0.817 297 E CB 1.427 31.113 29.700 -0.023 0.000 1.096 297 E HN 0.418 nan 8.360 nan 0.000 0.393 298 M N 1.032 120.596 119.600 -0.059 0.000 2.233 298 M HA 0.411 4.893 4.480 0.003 0.000 0.350 298 M C -2.375 173.883 176.300 -0.069 0.000 1.176 298 M CA -1.803 53.451 55.300 -0.077 0.000 1.150 298 M CB -0.284 32.237 32.600 -0.132 0.000 1.530 298 M HN 0.032 nan 8.290 nan 0.000 0.459 299 P HA 0.106 nan 4.420 nan 0.000 0.267 299 P C -0.100 177.162 177.300 -0.063 0.000 1.200 299 P CA 0.013 63.084 63.100 -0.047 0.000 0.772 299 P CB 0.685 32.365 31.700 -0.034 0.000 0.855 300 A N 1.331 124.121 122.820 -0.050 0.000 2.030 300 A HA 0.125 4.447 4.320 0.003 0.000 0.215 300 A C 1.488 179.043 177.584 -0.049 0.000 1.164 300 A CA 1.186 53.191 52.037 -0.054 0.000 0.697 300 A CB -1.243 17.731 19.000 -0.042 0.000 0.827 300 A HN 0.591 nan 8.150 nan 0.000 0.457 301 D N 0.537 120.915 120.400 -0.037 0.000 2.801 301 D HA 0.492 5.133 4.640 0.003 0.000 0.232 301 D C -0.265 176.016 176.300 -0.032 0.000 1.128 301 D CA -0.036 53.947 54.000 -0.029 0.000 1.003 301 D CB -0.335 40.455 40.800 -0.017 0.000 1.110 301 D HN 0.165 nan 8.370 nan 0.000 0.477 302 L N 1.044 122.238 121.223 -0.050 0.000 2.305 302 L HA 0.451 4.792 4.340 0.003 0.000 0.284 302 L C -1.654 175.184 176.870 -0.052 0.000 1.013 302 L CA -1.263 53.541 54.840 -0.059 0.000 0.819 302 L CB 1.371 43.368 42.059 -0.102 0.000 1.227 302 L HN 0.244 nan 8.230 nan 0.000 0.417 303 P HA 0.024 nan 4.420 nan 0.000 0.282 303 P C -0.642 176.650 177.300 -0.014 0.000 1.273 303 P CA -0.183 62.910 63.100 -0.011 0.000 0.809 303 P CB 0.468 32.173 31.700 0.009 0.000 1.246 304 S N -1.167 114.542 115.700 0.016 0.000 2.454 304 S HA 0.265 4.737 4.470 0.003 0.000 0.306 304 S C 1.140 175.804 174.600 0.106 0.000 1.100 304 S CA -0.712 57.512 58.200 0.040 0.000 1.087 304 S CB -0.095 63.128 63.200 0.038 0.000 1.019 304 S HN 0.326 nan 8.310 nan 0.000 0.480 305 L N 4.184 125.509 121.223 0.169 0.000 2.079 305 L HA -0.113 4.228 4.340 0.003 0.000 0.210 305 L C 2.865 179.988 176.870 0.422 0.000 1.081 305 L CA 1.666 56.731 54.840 0.375 0.000 0.752 305 L CB -0.811 41.470 42.059 0.370 0.000 0.896 305 L HN 0.844 nan 8.230 nan 0.000 0.433 306 A N 0.117 123.009 122.820 0.119 0.000 2.024 306 A HA -0.196 4.126 4.320 0.003 0.000 0.220 306 A C 2.545 180.125 177.584 -0.007 0.000 1.164 306 A CA 1.719 53.665 52.037 -0.152 0.000 0.643 306 A CB -0.585 18.250 19.000 -0.276 0.000 0.806 306 A HN 0.437 nan 8.150 nan 0.000 0.451 307 A N 0.287 123.130 122.820 0.038 0.000 1.841 307 A HA -0.221 4.101 4.320 0.003 0.000 0.216 307 A C 1.746 179.314 177.584 -0.026 0.000 1.199 307 A CA 2.058 54.104 52.037 0.015 0.000 0.621 307 A CB -0.797 18.213 19.000 0.016 0.000 0.835 307 A HN 0.466 nan 8.150 nan 0.000 0.445 308 D N -2.019 118.306 120.400 -0.125 0.000 2.323 308 D HA 0.097 4.739 4.640 0.003 0.000 0.209 308 D C 0.984 176.949 176.300 -0.558 0.000 0.973 308 D CA 0.754 54.519 54.000 -0.393 0.000 0.874 308 D CB -0.020 40.381 40.800 -0.665 0.000 0.930 308 D HN 0.516 nan 8.370 nan 0.000 0.521 309 F N -1.245 118.805 119.950 0.167 0.000 2.724 309 F HA 0.211 4.740 4.527 0.003 0.000 0.306 309 F C 1.507 177.383 175.800 0.128 0.000 1.100 309 F CA -0.073 58.069 58.000 0.237 0.000 1.255 309 F CB 0.642 39.804 39.000 0.270 0.000 1.072 309 F HN -0.155 nan 8.300 nan 0.000 0.589 310 V N -1.242 118.743 119.914 0.118 0.000 3.442 310 V HA 0.019 4.141 4.120 0.003 0.000 0.205 310 V C 1.437 177.556 176.094 0.041 0.000 1.320 310 V CA 0.108 62.436 62.300 0.047 0.000 1.306 310 V CB -0.156 31.561 31.823 -0.178 0.000 1.267 310 V HN -0.011 nan 8.190 nan 0.000 0.538 311 E N 1.188 121.398 120.200 0.017 0.000 2.516 311 E HA 0.028 4.380 4.350 0.003 0.000 0.199 311 E C 0.658 177.383 176.600 0.209 0.000 1.069 311 E CA 0.426 56.891 56.400 0.109 0.000 0.876 311 E CB 0.237 29.976 29.700 0.066 0.000 0.843 311 E HN 0.372 nan 8.360 nan 0.000 0.530 312 S N 0.975 116.771 115.700 0.161 0.000 2.474 312 S HA 0.192 4.663 4.470 0.003 0.000 0.321 312 S C -0.262 174.466 174.600 0.213 0.000 1.080 312 S CA -0.663 57.628 58.200 0.153 0.000 1.106 312 S CB 1.235 64.473 63.200 0.065 0.000 0.984 312 S HN -0.035 nan 8.310 nan 0.000 0.464 313 K N 2.846 123.385 120.400 0.231 0.000 2.136 313 K HA 0.193 4.515 4.320 0.003 0.000 0.237 313 K C 0.606 177.279 176.600 0.121 0.000 1.048 313 K CA 1.087 57.510 56.287 0.226 0.000 0.880 313 K CB 0.019 32.603 32.500 0.140 0.000 1.105 313 K HN 1.130 nan 8.250 nan 0.000 0.507 314 D N -2.102 118.349 120.400 0.085 0.000 3.070 314 D HA -0.153 4.489 4.640 0.003 0.000 0.210 314 D C 0.383 176.678 176.300 -0.009 0.000 1.103 314 D CA 1.211 55.230 54.000 0.031 0.000 0.980 314 D CB -1.317 39.498 40.800 0.025 0.000 1.100 314 D HN 0.170 nan 8.370 nan 0.000 0.423 315 V N -0.514 119.410 119.914 0.017 0.000 2.379 315 V HA -0.107 4.015 4.120 0.003 0.000 0.243 315 V C 2.585 178.551 176.094 -0.212 0.000 1.035 315 V CA 1.584 63.838 62.300 -0.078 0.000 1.035 315 V CB -0.160 31.677 31.823 0.022 0.000 0.673 315 V HN 0.653 nan 8.190 nan 0.000 0.457 316 c N 0.035 118.599 118.600 -0.059 0.000 2.419 316 c HA -0.116 4.456 4.570 0.003 0.000 0.283 316 c C 2.666 176.732 174.090 -0.039 0.000 1.373 316 c CA 1.344 57.661 56.329 -0.020 0.000 1.781 316 c CB -1.028 41.522 42.510 0.066 0.000 1.886 316 c HN 0.574 nan 8.230 nan 0.000 0.520 317 K N 1.065 121.423 120.400 -0.069 0.000 2.116 317 K HA -0.067 4.254 4.320 0.003 0.000 0.203 317 K C 1.627 178.144 176.600 -0.138 0.000 1.052 317 K CA 1.233 57.477 56.287 -0.072 0.000 0.952 317 K CB -0.298 32.178 32.500 -0.040 0.000 0.729 317 K HN 0.597 nan 8.250 nan 0.000 0.446 318 N N -0.511 118.037 118.700 -0.254 0.000 2.171 318 N HA -0.178 4.564 4.740 0.003 0.000 0.184 318 N C 1.774 177.018 175.510 -0.443 0.000 1.021 318 N CA 0.935 53.781 53.050 -0.339 0.000 0.854 318 N CB -0.158 38.063 38.487 -0.444 0.000 0.994 318 N HN 0.170 nan 8.380 nan 0.000 0.426 319 Y N 1.980 121.770 120.300 -0.850 0.000 2.145 319 Y HA -0.128 4.425 4.550 0.005 0.000 0.286 319 Y C 2.336 178.124 175.900 -0.187 0.000 1.145 319 Y CA 1.434 59.213 58.100 -0.535 0.000 1.148 319 Y CB -0.577 37.606 38.460 -0.462 0.000 0.981 319 Y HN 0.006 nan 8.280 nan 0.000 0.507 320 A N 0.093 122.784 122.820 -0.214 0.000 1.933 320 A HA -0.219 4.103 4.320 0.003 0.000 0.218 320 A C 2.126 179.605 177.584 -0.175 0.000 1.175 320 A CA 1.774 53.671 52.037 -0.233 0.000 0.628 320 A CB -0.954 17.987 19.000 -0.098 0.000 0.814 320 A HN 0.601 nan 8.150 nan 0.000 0.444 321 E N -0.087 120.039 120.200 -0.123 0.000 2.114 321 E HA -0.065 4.287 4.350 0.003 0.000 0.199 321 E C 0.480 177.047 176.600 -0.055 0.000 1.008 321 E CA 1.641 57.999 56.400 -0.070 0.000 0.810 321 E CB -0.185 29.485 29.700 -0.049 0.000 0.739 321 E HN 0.669 nan 8.360 nan 0.000 0.456 322 A N -0.664 122.117 122.820 -0.064 0.000 2.664 322 A HA 0.231 4.552 4.320 0.003 0.000 0.300 322 A C 0.243 177.822 177.584 -0.008 0.000 1.210 322 A CA -0.432 51.594 52.037 -0.018 0.000 0.863 322 A CB 0.469 19.503 19.000 0.056 0.000 1.464 322 A HN 0.086 nan 8.150 nan 0.000 0.438 323 K N 0.485 120.784 120.400 -0.168 0.000 2.015 323 K HA -0.210 4.112 4.320 0.003 0.000 0.216 323 K C 0.826 177.509 176.600 0.138 0.000 1.052 323 K CA 2.167 58.318 56.287 -0.227 0.000 0.937 323 K CB -0.006 32.231 32.500 -0.438 0.000 0.719 323 K HN 0.669 nan 8.250 nan 0.000 0.446 324 D N 0.402 120.872 120.400 0.117 0.000 2.144 324 D HA -0.110 4.531 4.640 0.003 0.000 0.199 324 D C 1.996 178.438 176.300 0.235 0.000 0.984 324 D CA 0.851 54.959 54.000 0.179 0.000 0.834 324 D CB -0.180 40.701 40.800 0.135 0.000 0.955 324 D HN -0.028 nan 8.370 nan 0.000 0.465 325 V N 0.712 120.764 119.914 0.230 0.000 2.358 325 V HA -0.210 3.912 4.120 0.003 0.000 0.246 325 V C 2.147 178.404 176.094 0.272 0.000 1.047 325 V CA 1.105 63.565 62.300 0.268 0.000 1.035 325 V CB -0.550 31.414 31.823 0.235 0.000 0.658 325 V HN 0.071 nan 8.190 nan 0.000 0.452 326 F N 0.475 120.532 119.950 0.178 0.000 2.102 326 F HA -0.132 4.396 4.527 0.001 0.000 0.298 326 F C 2.052 178.052 175.800 0.335 0.000 1.105 326 F CA 1.550 59.699 58.000 0.248 0.000 1.239 326 F CB -0.274 38.924 39.000 0.329 0.000 0.991 326 F HN 0.010 nan 8.300 nan 0.000 0.474 327 L N -0.366 121.101 121.223 0.407 0.000 2.131 327 L HA -0.153 4.189 4.340 0.003 0.000 0.210 327 L C 2.747 179.759 176.870 0.236 0.000 1.092 327 L CA 1.247 56.271 54.840 0.306 0.000 0.759 327 L CB -1.481 40.769 42.059 0.317 0.000 0.903 327 L HN 0.328 nan 8.230 nan 0.000 0.435 328 G N -0.231 108.710 108.800 0.235 0.000 2.421 328 G HA2 -0.258 3.704 3.960 0.003 0.000 0.216 328 G HA3 -0.258 3.704 3.960 0.003 0.000 0.216 328 G C 1.621 176.645 174.900 0.207 0.000 1.171 328 G CA 0.645 45.920 45.100 0.292 0.000 0.775 328 G HN 0.208 nan 8.290 nan 0.000 0.543 329 M N -0.520 118.986 119.600 -0.156 0.000 2.149 329 M HA 0.027 4.508 4.480 0.003 0.000 0.261 329 M C 2.298 178.582 176.300 -0.026 0.000 1.064 329 M CA 1.098 56.190 55.300 -0.346 0.000 1.102 329 M CB -0.402 31.959 32.600 -0.398 0.000 1.369 329 M HN 0.259 nan 8.290 nan 0.000 0.408 330 F N 1.452 121.218 119.950 -0.307 0.000 2.051 330 F HA -0.208 4.320 4.527 0.001 0.000 0.296 330 F C 2.009 177.599 175.800 -0.350 0.000 1.122 330 F CA 1.662 59.247 58.000 -0.691 0.000 1.201 330 F CB -0.493 38.116 39.000 -0.652 0.000 0.978 330 F HN -0.074 nan 8.300 nan 0.000 0.472 331 L N -0.815 120.350 121.223 -0.096 0.000 2.043 331 L HA -0.301 4.040 4.340 0.003 0.000 0.212 331 L C 2.498 179.318 176.870 -0.083 0.000 1.075 331 L CA 1.972 56.743 54.840 -0.116 0.000 0.752 331 L CB -0.913 41.168 42.059 0.036 0.000 0.891 331 L HN 0.384 nan 8.230 nan 0.000 0.432 332 Y N 0.788 121.060 120.300 -0.046 0.000 2.097 332 Y HA -0.279 4.273 4.550 0.003 0.000 0.282 332 Y C 2.557 178.412 175.900 -0.075 0.000 1.152 332 Y CA 1.771 59.892 58.100 0.035 0.000 1.136 332 Y CB -0.176 38.459 38.460 0.291 0.000 0.975 332 Y HN 0.135 nan 8.280 nan 0.000 0.498 333 E N -0.782 119.215 120.200 -0.338 0.000 2.106 333 E HA -0.223 4.129 4.350 0.003 0.000 0.192 333 E C 2.057 178.351 176.600 -0.511 0.000 0.984 333 E CA 1.385 57.508 56.400 -0.462 0.000 0.806 333 E CB -0.749 28.807 29.700 -0.240 0.000 0.750 333 E HN 0.621 nan 8.360 nan 0.000 0.458 334 Y N 0.840 120.746 120.300 -0.657 0.000 2.243 334 Y HA -0.025 4.528 4.550 0.005 0.000 0.293 334 Y C 2.298 177.973 175.900 -0.375 0.000 1.124 334 Y CA 1.140 58.884 58.100 -0.593 0.000 1.159 334 Y CB -0.321 37.593 38.460 -0.909 0.000 1.008 334 Y HN 0.007 nan 8.280 nan 0.000 0.527 335 A N 0.879 123.611 122.820 -0.146 0.000 1.930 335 A HA -0.185 4.137 4.320 0.003 0.000 0.217 335 A C 2.162 179.620 177.584 -0.209 0.000 1.175 335 A CA 1.703 53.659 52.037 -0.134 0.000 0.627 335 A CB -0.692 18.223 19.000 -0.141 0.000 0.815 335 A HN 0.580 nan 8.150 nan 0.000 0.443 336 R N -0.780 119.539 120.500 -0.302 0.000 2.316 336 R HA 0.072 4.413 4.340 0.003 0.000 0.202 336 R C 1.308 177.405 176.300 -0.339 0.000 1.029 336 R CA 1.037 56.954 56.100 -0.305 0.000 1.018 336 R CB -0.215 29.856 30.300 -0.381 0.000 0.888 336 R HN 0.413 nan 8.270 nan 0.000 0.471 337 R N -0.293 119.944 120.500 -0.438 0.000 2.397 337 R HA 0.170 4.512 4.340 0.003 0.000 0.241 337 R C -0.193 175.573 176.300 -0.889 0.000 0.914 337 R CA -0.009 55.726 56.100 -0.609 0.000 1.071 337 R CB 0.566 30.446 30.300 -0.701 0.000 1.116 337 R HN 0.285 nan 8.270 nan 0.000 0.524 338 H N -0.291 118.546 119.070 -0.390 0.000 2.429 338 H HA 0.203 4.763 4.556 0.006 0.000 0.231 338 H C -2.224 172.905 175.328 -0.331 0.000 1.416 338 H CA -2.005 53.744 56.048 -0.497 0.000 1.443 338 H CB 1.582 30.838 29.762 -0.843 0.000 1.591 338 H HN -0.084 nan 8.280 nan 0.000 0.507 339 P HA -0.097 nan 4.420 nan 0.000 0.226 339 P C 1.265 178.529 177.300 -0.061 0.000 1.153 339 P CA 0.860 63.893 63.100 -0.111 0.000 0.777 339 P CB 0.420 32.054 31.700 -0.110 0.000 0.794 340 D N -2.667 117.697 120.400 -0.060 0.000 2.347 340 D HA -0.119 4.523 4.640 0.003 0.000 0.215 340 D C 0.402 176.796 176.300 0.157 0.000 0.976 340 D CA 0.575 54.588 54.000 0.022 0.000 0.884 340 D CB -0.751 40.063 40.800 0.024 0.000 0.915 340 D HN 0.109 nan 8.370 nan 0.000 0.526 341 Y N 1.900 122.172 120.300 -0.046 0.000 2.307 341 Y HA 0.306 4.860 4.550 0.008 0.000 0.324 341 Y C 1.263 177.080 175.900 -0.138 0.000 1.238 341 Y CA -2.305 55.727 58.100 -0.114 0.000 1.280 341 Y CB 0.964 39.326 38.460 -0.163 0.000 1.248 341 Y HN -0.117 nan 8.280 nan 0.000 0.508 342 S N 0.027 115.722 115.700 -0.009 0.000 2.580 342 S HA 0.235 4.706 4.470 0.003 0.000 0.274 342 S C 0.968 175.450 174.600 -0.197 0.000 1.329 342 S CA -0.761 57.381 58.200 -0.095 0.000 1.036 342 S CB 1.142 64.283 63.200 -0.099 0.000 0.919 342 S HN 0.417 nan 8.310 nan 0.000 0.515 343 V N 3.019 122.737 119.914 -0.327 0.000 2.282 343 V HA -0.170 3.952 4.120 0.003 0.000 0.249 343 V C 2.498 178.270 176.094 -0.538 0.000 1.057 343 V CA 2.073 64.017 62.300 -0.594 0.000 1.032 343 V CB -0.837 30.230 31.823 -1.260 0.000 0.645 343 V HN 0.843 nan 8.190 nan 0.000 0.447 344 V N -0.293 119.386 119.914 -0.392 0.000 2.594 344 V HA -0.195 3.927 4.120 0.003 0.000 0.253 344 V C 2.259 178.204 176.094 -0.248 0.000 1.069 344 V CA 2.207 64.351 62.300 -0.260 0.000 1.082 344 V CB -0.075 31.692 31.823 -0.093 0.000 0.680 344 V HN 0.543 nan 8.190 nan 0.000 0.469 345 L N -0.120 120.946 121.223 -0.262 0.000 2.017 345 L HA -0.091 4.251 4.340 0.003 0.000 0.208 345 L C 2.182 178.829 176.870 -0.371 0.000 1.073 345 L CA 2.099 56.748 54.840 -0.318 0.000 0.745 345 L CB -0.731 41.092 42.059 -0.393 0.000 0.894 345 L HN 0.310 nan 8.230 nan 0.000 0.432 346 L N -1.079 119.942 121.223 -0.338 0.000 2.012 346 L HA -0.271 4.071 4.340 0.003 0.000 0.210 346 L C 2.575 179.234 176.870 -0.352 0.000 1.073 346 L CA 1.529 56.150 54.840 -0.364 0.000 0.748 346 L CB -0.657 41.232 42.059 -0.283 0.000 0.891 346 L HN 0.315 nan 8.230 nan 0.000 0.431 347 L N -0.842 120.202 121.223 -0.298 0.000 2.046 347 L HA -0.223 4.118 4.340 0.003 0.000 0.208 347 L C 2.830 179.586 176.870 -0.190 0.000 1.077 347 L CA 1.263 55.973 54.840 -0.217 0.000 0.747 347 L CB -0.527 41.410 42.059 -0.203 0.000 0.896 347 L HN 0.213 nan 8.230 nan 0.000 0.432 348 R N 0.024 120.392 120.500 -0.220 0.000 2.083 348 R HA -0.154 4.188 4.340 0.003 0.000 0.237 348 R C 2.313 178.476 176.300 -0.229 0.000 1.137 348 R CA 1.335 57.321 56.100 -0.190 0.000 0.951 348 R CB -0.418 29.764 30.300 -0.197 0.000 0.851 348 R HN 0.306 nan 8.270 nan 0.000 0.434 349 L N -0.075 120.903 121.223 -0.407 0.000 1.994 349 L HA -0.179 4.163 4.340 0.003 0.000 0.208 349 L C 2.729 179.388 176.870 -0.353 0.000 1.071 349 L CA 1.435 55.880 54.840 -0.658 0.000 0.745 349 L CB -0.788 40.503 42.059 -1.280 0.000 0.892 349 L HN 0.259 nan 8.230 nan 0.000 0.431 350 A N 0.431 123.135 122.820 -0.192 0.000 1.908 350 A HA -0.284 4.038 4.320 0.003 0.000 0.218 350 A C 2.312 179.899 177.584 0.004 0.000 1.181 350 A CA 2.253 54.298 52.037 0.015 0.000 0.627 350 A CB -0.483 18.566 19.000 0.082 0.000 0.818 350 A HN 0.311 nan 8.150 nan 0.000 0.445 351 K N -0.322 120.061 120.400 -0.029 0.000 2.057 351 K HA -0.095 4.226 4.320 0.003 0.000 0.207 351 K C 1.901 178.511 176.600 0.018 0.000 1.049 351 K CA 2.385 58.669 56.287 -0.005 0.000 0.931 351 K CB -0.959 31.524 32.500 -0.028 0.000 0.714 351 K HN 0.390 nan 8.250 nan 0.000 0.440 352 T N 0.072 114.649 114.554 0.038 0.000 2.708 352 T HA -0.142 4.210 4.350 0.003 0.000 0.266 352 T C 1.376 176.169 174.700 0.155 0.000 1.037 352 T CA 1.492 63.661 62.100 0.116 0.000 1.146 352 T CB -0.627 68.375 68.868 0.223 0.000 0.865 352 T HN 0.284 nan 8.240 nan 0.000 0.435 353 Y N 2.088 122.400 120.300 0.020 0.000 2.081 353 Y HA -0.215 4.335 4.550 -0.001 0.000 0.280 353 Y C 2.562 178.348 175.900 -0.190 0.000 1.163 353 Y CA 1.906 59.929 58.100 -0.128 0.000 1.135 353 Y CB -0.592 37.547 38.460 -0.535 0.000 0.970 353 Y HN 0.318 nan 8.280 nan 0.000 0.498 354 E N -0.977 119.141 120.200 -0.136 0.000 2.065 354 E HA -0.279 4.073 4.350 0.003 0.000 0.201 354 E C 2.046 178.563 176.600 -0.139 0.000 1.016 354 E CA 2.421 58.725 56.400 -0.159 0.000 0.818 354 E CB -0.366 29.343 29.700 0.015 0.000 0.749 354 E HN 0.503 nan 8.360 nan 0.000 0.453 355 T N 0.097 114.616 114.554 -0.059 0.000 2.720 355 T HA -0.162 4.190 4.350 0.003 0.000 0.268 355 T C 1.833 176.492 174.700 -0.068 0.000 1.037 355 T CA 1.841 63.921 62.100 -0.034 0.000 1.144 355 T CB -0.496 68.371 68.868 -0.002 0.000 0.864 355 T HN 0.301 nan 8.240 nan 0.000 0.444 356 T N 2.465 116.957 114.554 -0.105 0.000 2.643 356 T HA 0.008 4.359 4.350 0.003 0.000 0.264 356 T C 1.989 176.579 174.700 -0.183 0.000 1.045 356 T CA 0.988 63.022 62.100 -0.109 0.000 1.155 356 T CB -0.566 68.244 68.868 -0.096 0.000 0.863 356 T HN 0.249 nan 8.240 nan 0.000 0.420 357 L N 0.910 121.877 121.223 -0.427 0.000 2.081 357 L HA -0.149 4.193 4.340 0.003 0.000 0.212 357 L C 2.910 179.650 176.870 -0.216 0.000 1.080 357 L CA 1.263 55.794 54.840 -0.515 0.000 0.754 357 L CB -0.611 40.758 42.059 -1.149 0.000 0.893 357 L HN 0.266 nan 8.230 nan 0.000 0.433 358 E N 0.674 120.807 120.200 -0.111 0.000 2.047 358 E HA -0.161 4.190 4.350 0.003 0.000 0.191 358 E C 1.731 178.345 176.600 0.024 0.000 0.987 358 E CA 1.624 58.047 56.400 0.038 0.000 0.799 358 E CB -0.123 29.610 29.700 0.055 0.000 0.752 358 E HN 0.428 nan 8.360 nan 0.000 0.449 359 K N 0.153 120.553 120.400 -0.000 0.000 3.141 359 K HA 0.325 4.646 4.320 0.003 0.000 0.248 359 K C 0.701 177.309 176.600 0.014 0.000 1.282 359 K CA 0.097 56.390 56.287 0.010 0.000 1.251 359 K CB -0.862 31.642 32.500 0.007 0.000 1.533 359 K HN 0.177 nan 8.250 nan 0.000 0.409 360 c N -2.333 116.284 118.600 0.027 0.000 5.262 360 c HA 0.073 4.644 4.570 0.003 0.000 0.426 360 c C 2.000 176.140 174.090 0.082 0.000 1.393 360 c CA 0.204 56.568 56.329 0.058 0.000 2.237 360 c CB -0.244 42.337 42.510 0.119 0.000 2.827 360 c HN 0.771 nan 8.230 nan 0.000 0.519 361 c N 1.381 120.023 118.600 0.070 0.000 2.618 361 c HA 0.410 4.982 4.570 0.003 0.000 0.264 361 c C 2.059 176.185 174.090 0.060 0.000 1.334 361 c CA 1.141 57.520 56.329 0.083 0.000 1.731 361 c CB -1.109 41.457 42.510 0.094 0.000 1.852 361 c HN 0.704 nan 8.230 nan 0.000 0.566 362 A N -0.098 122.750 122.820 0.046 0.000 2.610 362 A HA 0.723 5.045 4.320 0.003 0.000 0.286 362 A C 0.677 178.275 177.584 0.022 0.000 1.306 362 A CA 0.360 52.417 52.037 0.032 0.000 0.942 362 A CB -0.240 18.779 19.000 0.030 0.000 1.112 362 A HN 0.435 nan 8.150 nan 0.000 0.527 363 A N -1.256 121.577 122.820 0.022 0.000 2.309 363 A HA 0.823 5.145 4.320 0.003 0.000 0.317 363 A C 1.354 178.940 177.584 0.003 0.000 1.134 363 A CA 0.099 52.142 52.037 0.009 0.000 0.866 363 A CB 0.211 19.212 19.000 0.002 0.000 1.329 363 A HN 0.990 nan 8.150 nan 0.000 0.477 364 A N -0.096 122.720 122.820 -0.006 0.000 1.830 364 A HA 0.010 4.332 4.320 0.003 0.000 0.214 364 A C 0.821 178.397 177.584 -0.014 0.000 1.218 364 A CA 2.122 54.154 52.037 -0.009 0.000 0.628 364 A CB -0.801 18.191 19.000 -0.013 0.000 0.860 364 A HN 0.819 nan 8.150 nan 0.000 0.454 365 D N -0.868 119.516 120.400 -0.027 0.000 2.456 365 D HA 0.429 5.070 4.640 0.003 0.000 0.219 365 D C -1.886 174.372 176.300 -0.071 0.000 1.126 365 D CA -1.939 52.039 54.000 -0.036 0.000 0.890 365 D CB 1.058 41.834 40.800 -0.040 0.000 1.025 365 D HN -0.005 nan 8.370 nan 0.000 0.511 366 P HA -0.189 nan 4.420 nan 0.000 0.213 366 P C 1.033 178.043 177.300 -0.483 0.000 1.170 366 P CA 1.176 64.217 63.100 -0.099 0.000 0.902 366 P CB 0.017 31.759 31.700 0.069 0.000 0.789 367 H N -0.243 118.564 119.070 -0.437 0.000 2.478 367 H HA -0.175 4.383 4.556 0.004 0.000 0.294 367 H C 1.240 176.154 175.328 -0.691 0.000 1.125 367 H CA 1.825 57.524 56.048 -0.582 0.000 1.225 367 H CB -0.036 29.611 29.762 -0.192 0.000 1.360 367 H HN 0.266 nan 8.280 nan 0.000 0.519 368 E N -1.608 118.372 120.200 -0.366 0.000 2.526 368 E HA 0.026 4.378 4.350 0.003 0.000 0.208 368 E C 1.798 178.243 176.600 -0.257 0.000 0.997 368 E CA 0.266 56.515 56.400 -0.252 0.000 0.961 368 E CB 0.225 29.883 29.700 -0.070 0.000 1.030 368 E HN 0.471 nan 8.360 nan 0.000 0.483 369 c N 0.950 119.358 118.600 -0.320 0.000 2.457 369 c HA -0.101 4.470 4.570 0.003 0.000 0.278 369 c C 2.488 176.523 174.090 -0.091 0.000 1.309 369 c CA 0.820 57.054 56.329 -0.157 0.000 1.735 369 c CB -0.648 41.803 42.510 -0.097 0.000 1.992 369 c HN 0.598 nan 8.230 nan 0.000 0.493 370 Y N 0.273 120.535 120.300 -0.063 0.000 2.458 370 Y HA 0.559 5.108 4.550 -0.001 0.000 0.254 370 Y C 2.076 177.930 175.900 -0.076 0.000 1.120 370 Y CA 0.118 58.176 58.100 -0.070 0.000 1.282 370 Y CB -1.541 36.866 38.460 -0.088 0.000 1.109 370 Y HN 0.134 nan 8.280 nan 0.000 0.526 371 A N 1.827 124.594 122.820 -0.088 0.000 2.001 371 A HA -0.304 4.017 4.320 0.003 0.000 0.224 371 A C 2.070 179.655 177.584 0.002 0.000 1.203 371 A CA 2.955 54.951 52.037 -0.068 0.000 0.667 371 A CB -1.231 17.667 19.000 -0.170 0.000 0.823 371 A HN 0.575 nan 8.150 nan 0.000 0.473 372 K N -0.506 119.901 120.400 0.011 0.000 2.570 372 K HA 0.594 4.916 4.320 0.003 0.000 0.210 372 K C 1.308 177.913 176.600 0.008 0.000 1.048 372 K CA 0.564 56.856 56.287 0.008 0.000 1.167 372 K CB -0.943 31.556 32.500 -0.000 0.000 0.892 372 K HN 0.499 nan 8.250 nan 0.000 0.480 373 V N -0.260 119.676 119.914 0.037 0.000 2.295 373 V HA -0.149 3.972 4.120 0.003 0.000 0.246 373 V C 1.800 177.701 176.094 -0.321 0.000 1.049 373 V CA 1.886 64.154 62.300 -0.053 0.000 1.024 373 V CB -0.633 31.249 31.823 0.098 0.000 0.648 373 V HN 0.667 nan 8.190 nan 0.000 0.447 374 F N 0.627 120.291 119.950 -0.477 0.000 2.449 374 F HA -0.089 4.439 4.527 0.001 0.000 0.299 374 F C 2.106 177.746 175.800 -0.266 0.000 1.092 374 F CA 1.244 58.950 58.000 -0.491 0.000 1.446 374 F CB -0.818 38.148 39.000 -0.056 0.000 1.084 374 F HN 0.322 nan 8.300 nan 0.000 0.567 375 D N -0.367 120.017 120.400 -0.026 0.000 2.323 375 D HA -0.069 4.573 4.640 0.003 0.000 0.209 375 D C 1.809 178.096 176.300 -0.022 0.000 0.973 375 D CA 0.685 54.688 54.000 0.006 0.000 0.874 375 D CB -0.050 40.758 40.800 0.013 0.000 0.930 375 D HN 0.390 nan 8.370 nan 0.000 0.521 376 E N -0.779 119.357 120.200 -0.107 0.000 2.447 376 E HA -0.002 4.349 4.350 0.003 0.000 0.195 376 E C 1.180 177.849 176.600 0.116 0.000 1.028 376 E CA -0.029 56.357 56.400 -0.023 0.000 0.876 376 E CB 0.203 29.886 29.700 -0.029 0.000 0.885 376 E HN 0.171 nan 8.360 nan 0.000 0.500 377 F N 1.495 121.439 119.950 -0.011 0.000 2.234 377 F HA -0.054 4.471 4.527 -0.004 0.000 0.296 377 F C 2.763 178.510 175.800 -0.089 0.000 1.089 377 F CA 1.030 58.975 58.000 -0.092 0.000 1.343 377 F CB -1.202 37.709 39.000 -0.149 0.000 1.040 377 F HN -0.014 nan 8.300 nan 0.000 0.498 378 K N 1.294 121.786 120.400 0.153 0.000 2.034 378 K HA -0.184 4.138 4.320 0.003 0.000 0.214 378 K C -0.230 176.382 176.600 0.020 0.000 1.051 378 K CA 2.129 58.460 56.287 0.074 0.000 0.931 378 K CB -2.873 29.669 32.500 0.070 0.000 0.715 378 K HN 0.302 nan 8.250 nan 0.000 0.446 379 P HA -0.054 nan 4.420 nan 0.000 0.226 379 P C 1.092 178.374 177.300 -0.031 0.000 1.153 379 P CA 0.565 63.663 63.100 -0.002 0.000 0.777 379 P CB 0.126 31.831 31.700 0.009 0.000 0.794 380 L N -0.557 120.643 121.223 -0.038 0.000 2.095 380 L HA -0.047 4.295 4.340 0.003 0.000 0.204 380 L C 2.758 179.515 176.870 -0.187 0.000 1.080 380 L CA 1.316 56.097 54.840 -0.099 0.000 0.759 380 L CB -1.466 40.532 42.059 -0.101 0.000 0.914 380 L HN -0.193 nan 8.230 nan 0.000 0.439 381 V N -0.593 119.189 119.914 -0.220 0.000 2.307 381 V HA -0.258 3.863 4.120 0.003 0.000 0.245 381 V C 2.391 178.358 176.094 -0.212 0.000 1.045 381 V CA 1.551 63.646 62.300 -0.342 0.000 1.024 381 V CB -0.438 31.196 31.823 -0.315 0.000 0.651 381 V HN 0.456 nan 8.190 nan 0.000 0.449 382 E N -0.331 119.803 120.200 -0.111 0.000 2.085 382 E HA -0.258 4.094 4.350 0.003 0.000 0.194 382 E C 2.326 178.890 176.600 -0.060 0.000 0.994 382 E CA 1.235 57.596 56.400 -0.064 0.000 0.801 382 E CB -0.196 29.486 29.700 -0.029 0.000 0.743 382 E HN 0.554 nan 8.360 nan 0.000 0.453 383 E N 0.659 120.820 120.200 -0.064 0.000 2.033 383 E HA -0.182 4.170 4.350 0.003 0.000 0.199 383 E C -0.684 175.885 176.600 -0.051 0.000 1.011 383 E CA 1.767 58.138 56.400 -0.048 0.000 0.815 383 E CB -0.934 28.737 29.700 -0.048 0.000 0.755 383 E HN 0.160 nan 8.360 nan 0.000 0.451 384 P HA -0.144 nan 4.420 nan 0.000 0.214 384 P C 1.464 178.729 177.300 -0.058 0.000 1.163 384 P CA 1.772 64.825 63.100 -0.078 0.000 0.883 384 P CB -0.192 31.430 31.700 -0.131 0.000 0.788 385 Q N -0.792 118.968 119.800 -0.067 0.000 2.061 385 Q HA -0.186 4.155 4.340 0.003 0.000 0.204 385 Q C 1.970 177.958 176.000 -0.020 0.000 0.984 385 Q CA 1.338 57.118 55.803 -0.038 0.000 0.846 385 Q CB -0.766 27.953 28.738 -0.030 0.000 0.902 385 Q HN 0.312 nan 8.270 nan 0.000 0.421 386 N N 0.646 119.335 118.700 -0.018 0.000 2.223 386 N HA -0.104 4.637 4.740 0.003 0.000 0.185 386 N C 1.819 177.330 175.510 0.002 0.000 1.016 386 N CA 0.909 53.956 53.050 -0.005 0.000 0.863 386 N CB -0.138 38.347 38.487 -0.004 0.000 0.983 386 N HN 0.246 nan 8.380 nan 0.000 0.429 387 L N 0.662 121.886 121.223 0.001 0.000 2.056 387 L HA -0.066 4.276 4.340 0.003 0.000 0.207 387 L C 2.021 178.901 176.870 0.016 0.000 1.078 387 L CA 0.717 55.567 54.840 0.017 0.000 0.749 387 L CB -0.259 41.811 42.059 0.019 0.000 0.901 387 L HN 0.104 nan 8.230 nan 0.000 0.433 388 I N 0.295 120.862 120.570 -0.006 0.000 2.394 388 I HA -0.254 3.918 4.170 0.003 0.000 0.251 388 I C 2.515 178.623 176.117 -0.015 0.000 1.136 388 I CA 1.218 62.506 61.300 -0.021 0.000 1.425 388 I CB -0.792 37.187 38.000 -0.035 0.000 1.079 388 I HN 0.279 nan 8.210 nan 0.000 0.425 389 K N 1.733 122.130 120.400 -0.004 0.000 1.980 389 K HA -0.168 4.154 4.320 0.003 0.000 0.208 389 K C 2.361 178.967 176.600 0.010 0.000 1.043 389 K CA 2.362 58.649 56.287 0.001 0.000 0.938 389 K CB -0.800 31.702 32.500 0.003 0.000 0.724 389 K HN 0.253 nan 8.250 nan 0.000 0.438 390 Q N 1.273 121.085 119.800 0.020 0.000 2.096 390 Q HA -0.154 4.188 4.340 0.003 0.000 0.204 390 Q C 2.026 178.059 176.000 0.055 0.000 0.982 390 Q CA 2.137 57.960 55.803 0.034 0.000 0.850 390 Q CB -1.214 27.547 28.738 0.037 0.000 0.901 390 Q HN 0.585 nan 8.270 nan 0.000 0.422 391 N N -0.599 118.140 118.700 0.065 0.000 2.270 391 N HA -0.075 4.667 4.740 0.003 0.000 0.181 391 N C 1.913 177.415 175.510 -0.012 0.000 1.016 391 N CA 1.358 54.473 53.050 0.109 0.000 0.870 391 N CB -0.219 38.364 38.487 0.161 0.000 0.979 391 N HN 0.612 nan 8.380 nan 0.000 0.431 392 c N 1.284 119.861 118.600 -0.038 0.000 2.450 392 c HA 0.040 4.612 4.570 0.003 0.000 0.279 392 c C 2.479 176.574 174.090 0.009 0.000 1.335 392 c CA 0.174 56.468 56.329 -0.059 0.000 1.749 392 c CB -0.597 41.877 42.510 -0.059 0.000 1.963 392 c HN 0.470 nan 8.230 nan 0.000 0.501 393 E N 0.505 120.709 120.200 0.006 0.000 2.028 393 E HA -0.208 4.144 4.350 0.003 0.000 0.191 393 E C 2.017 178.613 176.600 -0.006 0.000 0.988 393 E CA 0.924 57.328 56.400 0.006 0.000 0.799 393 E CB -0.380 29.326 29.700 0.010 0.000 0.755 393 E HN 0.402 nan 8.360 nan 0.000 0.447 394 L N 1.036 122.269 121.223 0.017 0.000 2.081 394 L HA -0.185 4.157 4.340 0.003 0.000 0.212 394 L C 2.101 178.950 176.870 -0.035 0.000 1.080 394 L CA 1.568 56.439 54.840 0.052 0.000 0.754 394 L CB -0.697 41.470 42.059 0.179 0.000 0.893 394 L HN 0.106 nan 8.230 nan 0.000 0.433 395 F N 0.361 120.063 119.950 -0.414 0.000 2.102 395 F HA -0.206 4.323 4.527 0.002 0.000 0.298 395 F C 2.334 177.969 175.800 -0.274 0.000 1.105 395 F CA 1.957 59.544 58.000 -0.688 0.000 1.239 395 F CB -0.162 38.256 39.000 -0.970 0.000 0.991 395 F HN 0.200 nan 8.300 nan 0.000 0.474 396 E N -0.155 119.878 120.200 -0.278 0.000 2.106 396 E HA -0.230 4.122 4.350 0.003 0.000 0.192 396 E C 2.096 178.556 176.600 -0.235 0.000 0.984 396 E CA 1.328 57.562 56.400 -0.277 0.000 0.806 396 E CB -0.110 29.552 29.700 -0.065 0.000 0.750 396 E HN 0.630 nan 8.360 nan 0.000 0.458 397 Q N 0.517 120.228 119.800 -0.149 0.000 1.891 397 Q HA -0.099 4.242 4.340 0.003 0.000 0.214 397 Q C 1.159 177.090 176.000 -0.114 0.000 0.995 397 Q CA 0.930 56.678 55.803 -0.092 0.000 0.866 397 Q CB -0.314 28.400 28.738 -0.041 0.000 0.931 397 Q HN 0.169 nan 8.270 nan 0.000 0.422 398 L N -0.135 121.033 121.223 -0.090 0.000 2.456 398 L HA 0.183 4.524 4.340 0.003 0.000 0.246 398 L C 0.926 177.691 176.870 -0.175 0.000 1.238 398 L CA -0.230 54.573 54.840 -0.061 0.000 0.826 398 L CB -0.263 41.818 42.059 0.038 0.000 1.150 398 L HN 0.253 nan 8.230 nan 0.000 0.514 399 G N -1.268 107.475 108.800 -0.095 0.000 2.671 399 G HA2 0.199 4.161 3.960 0.003 0.000 0.275 399 G HA3 0.199 4.161 3.960 0.003 0.000 0.275 399 G C 0.443 175.299 174.900 -0.074 0.000 1.368 399 G CA -0.256 44.747 45.100 -0.161 0.000 1.044 399 G HN 0.784 nan 8.290 nan 0.000 0.543 400 E N -1.462 118.764 120.200 0.044 0.000 2.058 400 E HA -0.253 4.099 4.350 0.003 0.000 0.194 400 E C 1.882 178.704 176.600 0.370 0.000 0.997 400 E CA 1.409 58.021 56.400 0.354 0.000 0.801 400 E CB -0.274 29.645 29.700 0.365 0.000 0.746 400 E HN 0.499 nan 8.360 nan 0.000 0.450 401 Y N 1.333 121.724 120.300 0.151 0.000 2.114 401 Y HA -0.147 4.405 4.550 0.004 0.000 0.284 401 Y C 1.976 177.938 175.900 0.104 0.000 1.143 401 Y CA 1.931 60.100 58.100 0.116 0.000 1.135 401 Y CB -0.069 38.439 38.460 0.079 0.000 0.980 401 Y HN -0.095 nan 8.280 nan 0.000 0.499 402 K N -0.990 119.396 120.400 -0.024 0.000 2.211 402 K HA -0.165 4.157 4.320 0.003 0.000 0.203 402 K C 1.984 178.563 176.600 -0.035 0.000 1.050 402 K CA 1.332 57.545 56.287 -0.123 0.000 0.945 402 K CB -0.464 32.036 32.500 -0.001 0.000 0.732 402 K HN 0.344 nan 8.250 nan 0.000 0.451 403 F N 2.466 122.383 119.950 -0.055 0.000 2.186 403 F HA -0.146 4.381 4.527 0.001 0.000 0.299 403 F C 2.055 177.861 175.800 0.009 0.000 1.090 403 F CA 1.415 59.422 58.000 0.013 0.000 1.307 403 F CB -0.161 38.919 39.000 0.132 0.000 1.019 403 F HN -0.013 nan 8.300 nan 0.000 0.489 404 Q N 0.054 119.771 119.800 -0.138 0.000 2.084 404 Q HA -0.213 4.128 4.340 0.003 0.000 0.202 404 Q C 1.854 177.704 176.000 -0.250 0.000 0.978 404 Q CA 1.677 57.351 55.803 -0.215 0.000 0.844 404 Q CB -0.361 28.357 28.738 -0.034 0.000 0.898 404 Q HN 0.407 nan 8.270 nan 0.000 0.426 405 N N 0.722 119.251 118.700 -0.285 0.000 2.166 405 N HA -0.141 4.601 4.740 0.003 0.000 0.186 405 N C 1.548 176.937 175.510 -0.203 0.000 1.019 405 N CA 1.340 54.237 53.050 -0.255 0.000 0.856 405 N CB -0.416 37.881 38.487 -0.316 0.000 0.993 405 N HN 0.257 nan 8.380 nan 0.000 0.426 406 A N 1.091 123.781 122.820 -0.217 0.000 1.883 406 A HA -0.086 4.235 4.320 0.003 0.000 0.217 406 A C 2.258 179.678 177.584 -0.274 0.000 1.186 406 A CA 1.063 52.980 52.037 -0.200 0.000 0.624 406 A CB -0.865 18.044 19.000 -0.151 0.000 0.822 406 A HN 0.234 nan 8.150 nan 0.000 0.444 407 L N -1.158 119.845 121.223 -0.368 0.000 2.079 407 L HA -0.194 4.148 4.340 0.003 0.000 0.210 407 L C 2.547 179.291 176.870 -0.211 0.000 1.081 407 L CA 0.813 55.442 54.840 -0.351 0.000 0.752 407 L CB -0.626 41.297 42.059 -0.227 0.000 0.896 407 L HN 0.331 nan 8.230 nan 0.000 0.433 408 L N -0.353 120.792 121.223 -0.129 0.000 1.989 408 L HA -0.201 4.140 4.340 0.003 0.000 0.211 408 L C 2.467 179.295 176.870 -0.070 0.000 1.071 408 L CA 1.703 56.512 54.840 -0.052 0.000 0.749 408 L CB -0.646 41.375 42.059 -0.064 0.000 0.890 408 L HN -0.035 nan 8.230 nan 0.000 0.431 409 V N -0.565 119.280 119.914 -0.115 0.000 2.295 409 V HA -0.285 3.836 4.120 0.003 0.000 0.246 409 V C 2.702 178.710 176.094 -0.143 0.000 1.049 409 V CA 1.910 64.148 62.300 -0.102 0.000 1.024 409 V CB -0.700 31.064 31.823 -0.099 0.000 0.648 409 V HN 0.478 nan 8.190 nan 0.000 0.447 410 R N -0.738 119.607 120.500 -0.258 0.000 2.096 410 R HA -0.216 4.126 4.340 0.003 0.000 0.240 410 R C 2.304 178.387 176.300 -0.361 0.000 1.139 410 R CA 2.273 58.143 56.100 -0.382 0.000 0.952 410 R CB -0.325 29.600 30.300 -0.624 0.000 0.854 410 R HN 0.555 nan 8.270 nan 0.000 0.436 411 Y N -0.316 119.954 120.300 -0.050 0.000 2.475 411 Y HA 0.050 4.600 4.550 0.000 0.000 0.289 411 Y C 2.428 178.300 175.900 -0.047 0.000 1.121 411 Y CA 1.016 59.094 58.100 -0.037 0.000 1.257 411 Y CB -0.402 38.036 38.460 -0.038 0.000 1.026 411 Y HN 0.061 nan 8.280 nan 0.000 0.555 412 T N 0.106 114.691 114.554 0.051 0.000 2.746 412 T HA -0.155 4.197 4.350 0.003 0.000 0.267 412 T C 1.762 176.420 174.700 -0.070 0.000 1.039 412 T CA 1.405 63.498 62.100 -0.012 0.000 1.142 412 T CB -0.129 68.727 68.868 -0.020 0.000 0.866 412 T HN 0.306 nan 8.240 nan 0.000 0.444 413 K N 0.774 121.139 120.400 -0.058 0.000 2.283 413 K HA 0.012 4.334 4.320 0.003 0.000 0.202 413 K C 2.252 178.826 176.600 -0.043 0.000 1.048 413 K CA 0.813 57.063 56.287 -0.063 0.000 0.948 413 K CB 0.026 32.498 32.500 -0.047 0.000 0.742 413 K HN 0.293 nan 8.250 nan 0.000 0.458 414 K N 0.559 120.958 120.400 -0.002 0.000 2.137 414 K HA -0.012 4.310 4.320 0.003 0.000 0.202 414 K C 0.727 177.337 176.600 0.016 0.000 1.052 414 K CA 0.872 57.179 56.287 0.035 0.000 0.961 414 K CB 0.590 33.160 32.500 0.117 0.000 0.741 414 K HN 0.006 nan 8.250 nan 0.000 0.452 415 V N -1.435 118.481 119.914 0.003 0.000 2.467 415 V HA 0.266 4.387 4.120 0.003 0.000 0.260 415 V C -2.806 173.230 176.094 -0.096 0.000 0.963 415 V CA -1.629 60.659 62.300 -0.020 0.000 0.856 415 V CB 1.348 33.192 31.823 0.035 0.000 1.087 415 V HN -0.106 nan 8.190 nan 0.000 0.467 416 P HA 0.010 nan 4.420 nan 0.000 0.234 416 P C 1.163 178.284 177.300 -0.298 0.000 1.167 416 P CA 0.990 63.782 63.100 -0.512 0.000 0.763 416 P CB 0.281 31.103 31.700 -1.463 0.000 0.835 417 Q N -1.235 118.503 119.800 -0.104 0.000 2.331 417 Q HA 0.030 4.371 4.340 0.003 0.000 0.203 417 Q C 0.715 176.750 176.000 0.059 0.000 0.944 417 Q CA 0.377 56.211 55.803 0.051 0.000 0.892 417 Q CB -0.774 28.026 28.738 0.104 0.000 0.983 417 Q HN 0.089 nan 8.270 nan 0.000 0.482 418 V N 1.165 121.106 119.914 0.045 0.000 2.999 418 V HA -0.018 4.104 4.120 0.003 0.000 0.307 418 V C 0.623 176.744 176.094 0.045 0.000 1.084 418 V CA -0.214 62.127 62.300 0.068 0.000 1.155 418 V CB 1.330 33.192 31.823 0.065 0.000 0.975 418 V HN 0.221 nan 8.190 nan 0.000 0.490 419 S N 2.680 118.408 115.700 0.047 0.000 2.560 419 S HA 0.006 4.478 4.470 0.003 0.000 0.284 419 S C 1.430 176.045 174.600 0.024 0.000 1.327 419 S CA 0.210 58.429 58.200 0.031 0.000 1.055 419 S CB 0.891 64.107 63.200 0.026 0.000 0.868 419 S HN 0.892 nan 8.310 nan 0.000 0.506 420 T N 5.741 120.305 114.554 0.017 0.000 2.759 420 T HA -0.034 4.318 4.350 0.003 0.000 0.269 420 T C -0.952 173.758 174.700 0.016 0.000 1.042 420 T CA 1.547 63.655 62.100 0.014 0.000 1.140 420 T CB -0.789 68.080 68.868 0.002 0.000 0.864 420 T HN 0.685 nan 8.240 nan 0.000 0.455 421 P HA 0.031 nan 4.420 nan 0.000 0.220 421 P C 1.404 178.714 177.300 0.017 0.000 1.152 421 P CA 1.037 64.147 63.100 0.016 0.000 0.812 421 P CB -0.188 31.518 31.700 0.011 0.000 0.792 422 T N 0.713 115.278 114.554 0.017 0.000 2.821 422 T HA -0.033 4.319 4.350 0.003 0.000 0.267 422 T C 1.957 176.662 174.700 0.008 0.000 1.046 422 T CA 0.943 63.052 62.100 0.015 0.000 1.139 422 T CB -0.714 68.170 68.868 0.027 0.000 0.871 422 T HN 0.032 nan 8.240 nan 0.000 0.454 423 L N 0.623 121.855 121.223 0.015 0.000 2.046 423 L HA -0.087 4.255 4.340 0.003 0.000 0.208 423 L C 2.629 179.511 176.870 0.020 0.000 1.077 423 L CA 0.927 55.777 54.840 0.018 0.000 0.747 423 L CB -0.576 41.501 42.059 0.030 0.000 0.896 423 L HN 0.147 nan 8.230 nan 0.000 0.432 424 V N -0.632 119.296 119.914 0.024 0.000 2.343 424 V HA -0.255 3.867 4.120 0.003 0.000 0.247 424 V C 2.535 178.646 176.094 0.028 0.000 1.051 424 V CA 1.594 63.913 62.300 0.032 0.000 1.036 424 V CB -0.449 31.398 31.823 0.040 0.000 0.654 424 V HN 0.421 nan 8.190 nan 0.000 0.451 425 E N 0.177 120.388 120.200 0.019 0.000 2.023 425 E HA -0.190 4.162 4.350 0.003 0.000 0.196 425 E C 2.323 178.923 176.600 -0.001 0.000 1.003 425 E CA 1.754 58.163 56.400 0.014 0.000 0.809 425 E CB -0.406 29.298 29.700 0.007 0.000 0.755 425 E HN 0.445 nan 8.360 nan 0.000 0.449 426 V N 1.357 121.254 119.914 -0.027 0.000 2.252 426 V HA -0.283 3.839 4.120 0.003 0.000 0.249 426 V C 2.440 178.501 176.094 -0.056 0.000 1.056 426 V CA 2.131 64.388 62.300 -0.071 0.000 1.022 426 V CB -0.702 31.042 31.823 -0.131 0.000 0.641 426 V HN 0.193 nan 8.190 nan 0.000 0.445 427 S N -0.471 115.219 115.700 -0.017 0.000 2.400 427 S HA -0.194 4.278 4.470 0.003 0.000 0.232 427 S C 2.006 176.614 174.600 0.014 0.000 1.025 427 S CA 1.475 59.687 58.200 0.019 0.000 0.993 427 S CB -0.313 62.912 63.200 0.041 0.000 0.808 427 S HN 0.590 nan 8.310 nan 0.000 0.478 428 R N 1.355 121.874 120.500 0.032 0.000 2.075 428 R HA 0.129 4.471 4.340 0.003 0.000 0.226 428 R C 1.887 178.232 176.300 0.074 0.000 1.114 428 R CA 0.997 57.136 56.100 0.065 0.000 0.972 428 R CB -0.378 29.968 30.300 0.076 0.000 0.869 428 R HN 0.359 nan 8.270 nan 0.000 0.437 429 N N 1.154 119.884 118.700 0.050 0.000 2.120 429 N HA -0.140 4.602 4.740 0.003 0.000 0.188 429 N C 1.795 177.345 175.510 0.068 0.000 1.024 429 N CA 0.935 54.020 53.050 0.059 0.000 0.852 429 N CB -0.192 38.313 38.487 0.030 0.000 1.003 429 N HN 0.041 nan 8.380 nan 0.000 0.424 430 L N 1.302 122.545 121.223 0.033 0.000 2.012 430 L HA -0.039 4.303 4.340 0.003 0.000 0.210 430 L C 2.340 179.274 176.870 0.106 0.000 1.073 430 L CA 1.588 56.450 54.840 0.036 0.000 0.748 430 L CB -1.343 40.708 42.059 -0.013 0.000 0.891 430 L HN 0.174 nan 8.230 nan 0.000 0.431 431 G N -1.382 107.485 108.800 0.110 0.000 2.462 431 G HA2 -0.268 3.694 3.960 0.003 0.000 0.220 431 G HA3 -0.268 3.694 3.960 0.003 0.000 0.220 431 G C 1.741 176.797 174.900 0.260 0.000 1.121 431 G CA 0.848 46.092 45.100 0.241 0.000 0.758 431 G HN 0.369 nan 8.290 nan 0.000 0.559 432 K N -0.047 120.445 120.400 0.154 0.000 2.001 432 K HA 0.022 4.344 4.320 0.003 0.000 0.208 432 K C 2.546 179.151 176.600 0.008 0.000 1.048 432 K CA 0.991 57.344 56.287 0.111 0.000 0.932 432 K CB -0.399 32.178 32.500 0.129 0.000 0.715 432 K HN 0.151 nan 8.250 nan 0.000 0.437 433 V N 1.296 121.220 119.914 0.017 0.000 2.370 433 V HA -0.287 3.835 4.120 0.003 0.000 0.252 433 V C 2.305 178.219 176.094 -0.301 0.000 1.068 433 V CA 2.238 64.442 62.300 -0.160 0.000 1.061 433 V CB -1.243 30.547 31.823 -0.056 0.000 0.656 433 V HN 0.557 nan 8.190 nan 0.000 0.455 434 G N 0.065 108.743 108.800 -0.204 0.000 2.404 434 G HA2 -0.263 3.699 3.960 0.003 0.000 0.215 434 G HA3 -0.263 3.699 3.960 0.003 0.000 0.215 434 G C 1.832 176.112 174.900 -1.033 0.000 1.174 434 G CA 1.245 46.041 45.100 -0.507 0.000 0.780 434 G HN 0.677 nan 8.290 nan 0.000 0.537 435 S N -0.245 114.963 115.700 -0.819 0.000 2.447 435 S HA -0.042 4.430 4.470 0.003 0.000 0.233 435 S C 2.038 176.442 174.600 -0.327 0.000 1.006 435 S CA 1.831 59.632 58.200 -0.666 0.000 0.957 435 S CB 0.008 63.247 63.200 0.065 0.000 0.773 435 S HN 0.285 nan 8.310 nan 0.000 0.507 436 K N -0.143 120.064 120.400 -0.321 0.000 2.284 436 K HA 0.253 4.575 4.320 0.003 0.000 0.198 436 K C 1.830 178.175 176.600 -0.424 0.000 1.048 436 K CA 0.829 56.958 56.287 -0.263 0.000 0.987 436 K CB -0.853 31.507 32.500 -0.234 0.000 0.800 436 K HN 0.738 nan 8.250 nan 0.000 0.486 437 c N -0.813 117.450 118.600 -0.561 0.000 2.535 437 c HA 0.285 4.856 4.570 0.003 0.000 0.310 437 c C 2.622 176.467 174.090 -0.409 0.000 1.344 437 c CA 0.007 55.952 56.329 -0.640 0.000 1.831 437 c CB -0.734 41.415 42.510 -0.602 0.000 2.284 437 c HN 0.704 nan 8.230 nan 0.000 0.523 438 c N 1.549 119.908 118.600 -0.402 0.000 2.409 438 c HA -0.087 4.485 4.570 0.003 0.000 0.288 438 c C 2.473 176.506 174.090 -0.095 0.000 1.395 438 c CA 1.114 57.280 56.329 -0.271 0.000 1.792 438 c CB -1.092 41.166 42.510 -0.420 0.000 1.847 438 c HN 0.556 nan 8.230 nan 0.000 0.534 439 K N -0.035 120.335 120.400 -0.050 0.000 2.366 439 K HA 0.080 4.402 4.320 0.003 0.000 0.198 439 K C 0.680 177.357 176.600 0.129 0.000 1.044 439 K CA 0.397 56.724 56.287 0.067 0.000 0.973 439 K CB -0.435 32.118 32.500 0.088 0.000 0.767 439 K HN 0.709 nan 8.250 nan 0.000 0.475 440 H N 1.173 120.202 119.070 -0.069 0.000 2.745 440 H HA 0.074 4.632 4.556 0.003 0.000 0.373 440 H C -2.046 173.259 175.328 -0.040 0.000 1.226 440 H CA -1.631 54.386 56.048 -0.052 0.000 1.435 440 H CB 0.298 30.022 29.762 -0.064 0.000 1.461 440 H HN -0.110 nan 8.280 nan 0.000 0.616 441 P HA -0.004 nan 4.420 nan 0.000 0.284 441 P C 0.608 177.934 177.300 0.043 0.000 1.253 441 P CA -0.197 62.922 63.100 0.033 0.000 0.800 441 P CB 0.765 32.465 31.700 0.001 0.000 0.961 442 E N 3.509 123.724 120.200 0.026 0.000 2.164 442 E HA -0.342 4.009 4.350 0.003 0.000 0.206 442 E C 1.369 177.986 176.600 0.028 0.000 1.032 442 E CA 2.022 58.434 56.400 0.021 0.000 0.832 442 E CB -0.562 29.148 29.700 0.016 0.000 0.742 442 E HN 0.458 nan 8.360 nan 0.000 0.460 443 A N 0.021 122.856 122.820 0.024 0.000 2.259 443 A HA -0.126 4.196 4.320 0.003 0.000 0.212 443 A C 1.967 179.567 177.584 0.028 0.000 1.178 443 A CA 1.620 53.670 52.037 0.021 0.000 0.734 443 A CB -0.240 18.761 19.000 0.001 0.000 0.774 443 A HN 0.222 nan 8.150 nan 0.000 0.481 444 K N -1.112 119.318 120.400 0.050 0.000 2.481 444 K HA 0.250 4.572 4.320 0.003 0.000 0.210 444 K C 1.577 178.222 176.600 0.076 0.000 1.161 444 K CA 0.102 56.439 56.287 0.084 0.000 1.023 444 K CB -0.024 32.556 32.500 0.132 0.000 0.971 444 K HN 0.317 nan 8.250 nan 0.000 0.577 445 R N 0.116 120.634 120.500 0.030 0.000 2.080 445 R HA -0.061 4.281 4.340 0.003 0.000 0.236 445 R C 2.115 178.371 176.300 -0.073 0.000 1.137 445 R CA 2.143 58.210 56.100 -0.054 0.000 0.943 445 R CB -0.319 29.951 30.300 -0.051 0.000 0.846 445 R HN 0.228 nan 8.270 nan 0.000 0.431 446 M N 0.334 119.917 119.600 -0.029 0.000 2.108 446 M HA -0.111 4.371 4.480 0.003 0.000 0.261 446 M C -0.893 175.393 176.300 -0.024 0.000 1.066 446 M CA 1.901 57.183 55.300 -0.030 0.000 1.107 446 M CB -0.704 31.891 32.600 -0.008 0.000 1.356 446 M HN -0.028 nan 8.290 nan 0.000 0.406 447 P HA -0.118 nan 4.420 nan 0.000 0.218 447 P C 1.592 178.907 177.300 0.024 0.000 1.149 447 P CA 1.044 64.149 63.100 0.008 0.000 0.817 447 P CB -0.271 31.437 31.700 0.014 0.000 0.785 448 c N -0.084 118.501 118.600 -0.025 0.000 2.442 448 c HA -0.081 4.491 4.570 0.003 0.000 0.279 448 c C 2.848 176.898 174.090 -0.066 0.000 1.237 448 c CA 1.709 57.987 56.329 -0.085 0.000 1.722 448 c CB -1.599 40.702 42.510 -0.349 0.000 2.056 448 c HN 0.224 nan 8.230 nan 0.000 0.469 449 A N 0.026 122.771 122.820 -0.126 0.000 1.908 449 A HA -0.261 4.061 4.320 0.003 0.000 0.218 449 A C 2.141 179.750 177.584 0.041 0.000 1.181 449 A CA 2.199 54.188 52.037 -0.080 0.000 0.627 449 A CB -1.077 17.871 19.000 -0.086 0.000 0.818 449 A HN 0.846 nan 8.150 nan 0.000 0.445 450 E N -0.213 120.012 120.200 0.042 0.000 2.049 450 E HA -0.323 4.029 4.350 0.003 0.000 0.198 450 E C 1.708 178.389 176.600 0.135 0.000 1.007 450 E CA 1.823 58.267 56.400 0.074 0.000 0.809 450 E CB -0.341 29.393 29.700 0.057 0.000 0.749 450 E HN 0.583 nan 8.360 nan 0.000 0.450 451 D N -1.165 119.341 120.400 0.176 0.000 2.116 451 D HA -0.191 4.450 4.640 0.003 0.000 0.193 451 D C 1.777 178.181 176.300 0.174 0.000 0.998 451 D CA 1.641 55.755 54.000 0.191 0.000 0.836 451 D CB -0.164 40.766 40.800 0.217 0.000 0.951 451 D HN 0.374 nan 8.370 nan 0.000 0.449 452 Y N -0.807 119.493 120.300 -0.001 0.000 2.220 452 Y HA -0.064 4.488 4.550 0.002 0.000 0.291 452 Y C 2.065 177.954 175.900 -0.020 0.000 1.129 452 Y CA -0.164 57.930 58.100 -0.011 0.000 1.161 452 Y CB -0.011 38.431 38.460 -0.030 0.000 0.997 452 Y HN 0.014 nan 8.280 nan 0.000 0.522 453 L N 0.088 121.397 121.223 0.145 0.000 2.083 453 L HA -0.219 4.123 4.340 0.003 0.000 0.209 453 L C 2.656 179.534 176.870 0.013 0.000 1.083 453 L CA 1.953 56.819 54.840 0.043 0.000 0.752 453 L CB -1.130 40.941 42.059 0.021 0.000 0.899 453 L HN 0.284 nan 8.230 nan 0.000 0.433 454 S N -1.871 113.856 115.700 0.045 0.000 2.368 454 S HA -0.170 4.301 4.470 0.003 0.000 0.225 454 S C 2.019 176.624 174.600 0.008 0.000 1.030 454 S CA 1.433 59.655 58.200 0.036 0.000 0.999 454 S CB -1.028 62.210 63.200 0.064 0.000 0.844 454 S HN 0.179 nan 8.310 nan 0.000 0.459 455 V N 1.752 121.667 119.914 0.001 0.000 2.261 455 V HA -0.127 3.995 4.120 0.003 0.000 0.246 455 V C 2.736 178.814 176.094 -0.026 0.000 1.047 455 V CA 1.744 64.034 62.300 -0.016 0.000 1.015 455 V CB -0.827 30.973 31.823 -0.039 0.000 0.642 455 V HN 0.475 nan 8.190 nan 0.000 0.446 456 V N -0.544 119.350 119.914 -0.032 0.000 2.343 456 V HA -0.231 3.891 4.120 0.003 0.000 0.247 456 V C 2.347 178.368 176.094 -0.122 0.000 1.051 456 V CA 1.657 63.918 62.300 -0.065 0.000 1.036 456 V CB -0.574 31.211 31.823 -0.063 0.000 0.654 456 V HN 0.381 nan 8.190 nan 0.000 0.451 457 L N 0.307 121.447 121.223 -0.138 0.000 2.156 457 L HA -0.068 4.274 4.340 0.003 0.000 0.208 457 L C 2.150 178.959 176.870 -0.103 0.000 1.095 457 L CA 1.900 56.612 54.840 -0.213 0.000 0.770 457 L CB -1.140 40.806 42.059 -0.189 0.000 0.914 457 L HN 0.453 nan 8.230 nan 0.000 0.439 458 N N -1.503 117.177 118.700 -0.035 0.000 2.207 458 N HA -0.205 4.537 4.740 0.003 0.000 0.182 458 N C 1.998 177.508 175.510 0.000 0.000 1.020 458 N CA 1.129 54.185 53.050 0.009 0.000 0.858 458 N CB 0.013 38.513 38.487 0.022 0.000 0.991 458 N HN 0.218 nan 8.380 nan 0.000 0.427 459 Q N -0.072 119.717 119.800 -0.019 0.000 2.135 459 Q HA -0.072 4.270 4.340 0.003 0.000 0.204 459 Q C 2.120 178.110 176.000 -0.017 0.000 0.981 459 Q CA 1.441 57.235 55.803 -0.014 0.000 0.856 459 Q CB -0.856 27.869 28.738 -0.022 0.000 0.902 459 Q HN 0.608 nan 8.270 nan 0.000 0.425 460 L N 0.109 121.298 121.223 -0.057 0.000 2.027 460 L HA -0.028 4.314 4.340 0.003 0.000 0.206 460 L C 2.605 179.484 176.870 0.014 0.000 1.074 460 L CA 2.401 57.201 54.840 -0.066 0.000 0.745 460 L CB -1.168 40.769 42.059 -0.204 0.000 0.898 460 L HN 0.547 nan 8.230 nan 0.000 0.433 461 c N -1.590 117.028 118.600 0.030 0.000 2.419 461 c HA -0.070 4.502 4.570 0.003 0.000 0.281 461 c C 2.708 176.866 174.090 0.114 0.000 1.336 461 c CA 0.730 57.123 56.329 0.106 0.000 1.770 461 c CB -0.874 41.706 42.510 0.117 0.000 1.929 461 c HN 0.500 nan 8.230 nan 0.000 0.509 462 V N 0.854 120.811 119.914 0.071 0.000 2.283 462 V HA -0.168 3.953 4.120 0.003 0.000 0.243 462 V C 2.382 178.514 176.094 0.063 0.000 1.039 462 V CA 1.690 64.024 62.300 0.056 0.000 1.016 462 V CB -0.618 31.225 31.823 0.032 0.000 0.650 462 V HN 0.504 nan 8.190 nan 0.000 0.449 463 L N -0.303 120.956 121.223 0.060 0.000 2.051 463 L HA -0.286 4.055 4.340 0.003 0.000 0.214 463 L C 2.617 179.533 176.870 0.076 0.000 1.076 463 L CA 2.246 57.119 54.840 0.055 0.000 0.758 463 L CB -1.026 41.064 42.059 0.051 0.000 0.890 463 L HN 0.506 nan 8.230 nan 0.000 0.433 464 H N 0.214 119.298 119.070 0.024 0.000 2.395 464 H HA -0.173 4.386 4.556 0.004 0.000 0.299 464 H C 2.205 177.551 175.328 0.029 0.000 1.070 464 H CA 1.683 57.752 56.048 0.034 0.000 1.356 464 H CB 0.389 30.186 29.762 0.057 0.000 1.401 464 H HN 0.394 nan 8.280 nan 0.000 0.524 465 E N 0.833 121.105 120.200 0.120 0.000 2.070 465 E HA -0.197 4.155 4.350 0.003 0.000 0.197 465 E C 2.013 178.608 176.600 -0.008 0.000 1.004 465 E CA 1.723 58.160 56.400 0.061 0.000 0.805 465 E CB 0.188 29.923 29.700 0.058 0.000 0.744 465 E HN 0.159 nan 8.360 nan 0.000 0.451 466 K N -0.436 119.957 120.400 -0.012 0.000 2.001 466 K HA 0.034 4.356 4.320 0.003 0.000 0.208 466 K C 0.802 177.366 176.600 -0.060 0.000 1.048 466 K CA 1.621 57.892 56.287 -0.027 0.000 0.932 466 K CB -0.098 32.394 32.500 -0.013 0.000 0.715 466 K HN 0.015 nan 8.250 nan 0.000 0.437 467 T N 3.392 117.891 114.554 -0.091 0.000 3.390 467 T HA 0.239 4.591 4.350 0.003 0.000 0.315 467 T C -2.695 171.838 174.700 -0.278 0.000 1.799 467 T CA -1.501 60.525 62.100 -0.123 0.000 1.553 467 T CB 0.781 69.606 68.868 -0.072 0.000 1.002 467 T HN 0.033 nan 8.240 nan 0.000 0.715 468 P HA 0.100 nan 4.420 nan 0.000 0.265 468 P C 0.195 177.239 177.300 -0.427 0.000 1.187 468 P CA 0.058 62.738 63.100 -0.701 0.000 0.766 468 P CB 1.352 32.877 31.700 -0.291 0.000 0.820 469 V N 0.455 120.141 119.914 -0.379 0.000 3.380 469 V HA 0.158 4.280 4.120 0.003 0.000 0.277 469 V C 0.686 176.891 176.094 0.185 0.000 1.590 469 V CA 0.345 62.657 62.300 0.019 0.000 1.019 469 V CB 0.695 32.562 31.823 0.072 0.000 0.828 469 V HN 0.716 nan 8.190 nan 0.000 0.427 470 S N 0.597 116.520 115.700 0.372 0.000 2.543 470 S HA 0.302 4.774 4.470 0.003 0.000 0.271 470 S C 0.268 174.981 174.600 0.187 0.000 1.148 470 S CA -0.060 58.274 58.200 0.224 0.000 0.914 470 S CB 1.845 65.138 63.200 0.155 0.000 1.096 470 S HN 0.437 nan 8.310 nan 0.000 0.471 471 D N 4.447 124.903 120.400 0.094 0.000 2.097 471 D HA -0.149 4.492 4.640 0.003 0.000 0.197 471 D C 1.555 177.853 176.300 -0.004 0.000 0.984 471 D CA 0.825 54.858 54.000 0.055 0.000 0.826 471 D CB -0.289 40.530 40.800 0.033 0.000 0.973 471 D HN 0.571 nan 8.370 nan 0.000 0.460 472 R N 0.591 121.074 120.500 -0.028 0.000 2.113 472 R HA -0.114 4.228 4.340 0.003 0.000 0.244 472 R C 2.649 178.831 176.300 -0.198 0.000 1.142 472 R CA 1.424 57.468 56.100 -0.094 0.000 0.953 472 R CB -0.555 29.703 30.300 -0.070 0.000 0.860 472 R HN 0.132 nan 8.270 nan 0.000 0.438 473 V N 0.161 119.953 119.914 -0.202 0.000 2.379 473 V HA -0.202 3.920 4.120 0.003 0.000 0.245 473 V C 2.068 178.000 176.094 -0.269 0.000 1.044 473 V CA 2.156 64.257 62.300 -0.332 0.000 1.036 473 V CB -0.476 31.033 31.823 -0.523 0.000 0.664 473 V HN 0.412 nan 8.190 nan 0.000 0.453 474 T N -0.154 114.327 114.554 -0.121 0.000 2.881 474 T HA -0.226 4.126 4.350 0.003 0.000 0.270 474 T C 1.905 176.591 174.700 -0.023 0.000 1.068 474 T CA 1.818 63.934 62.100 0.026 0.000 1.131 474 T CB -0.165 68.785 68.868 0.137 0.000 0.871 474 T HN 0.445 nan 8.240 nan 0.000 0.479 475 K N 0.935 121.287 120.400 -0.080 0.000 2.001 475 K HA -0.031 4.290 4.320 0.003 0.000 0.208 475 K C 2.341 178.863 176.600 -0.129 0.000 1.048 475 K CA 1.464 57.700 56.287 -0.085 0.000 0.932 475 K CB -0.931 31.510 32.500 -0.098 0.000 0.715 475 K HN 0.292 nan 8.250 nan 0.000 0.437 476 c N 0.272 118.697 118.600 -0.291 0.000 2.413 476 c HA -0.114 4.458 4.570 0.003 0.000 0.277 476 c C 2.782 176.809 174.090 -0.106 0.000 1.265 476 c CA 0.807 56.901 56.329 -0.393 0.000 1.752 476 c CB -1.114 40.659 42.510 -1.228 0.000 1.998 476 c HN 0.673 nan 8.230 nan 0.000 0.489 477 c N 0.800 119.387 118.600 -0.021 0.000 2.432 477 c HA -0.040 4.532 4.570 0.003 0.000 0.282 477 c C 2.450 176.611 174.090 0.118 0.000 1.388 477 c CA 1.785 58.194 56.329 0.134 0.000 1.777 477 c CB -1.613 40.981 42.510 0.140 0.000 1.882 477 c HN 0.835 nan 8.230 nan 0.000 0.520 478 T N -2.614 111.985 114.554 0.075 0.000 3.085 478 T HA 0.168 4.519 4.350 0.003 0.000 0.264 478 T C 0.032 174.797 174.700 0.109 0.000 1.019 478 T CA -0.009 62.142 62.100 0.086 0.000 0.910 478 T CB 0.211 69.110 68.868 0.051 0.000 1.059 478 T HN 0.486 nan 8.240 nan 0.000 0.542 479 E N 2.578 122.837 120.200 0.098 0.000 2.620 479 E HA 0.426 4.778 4.350 0.003 0.000 0.255 479 E C 0.267 176.966 176.600 0.165 0.000 1.346 479 E CA -0.380 56.073 56.400 0.089 0.000 1.013 479 E CB 0.737 30.451 29.700 0.025 0.000 1.131 479 E HN 0.401 nan 8.360 nan 0.000 0.608 480 S N 0.851 116.611 115.700 0.101 0.000 2.576 480 S HA 0.024 4.496 4.470 0.003 0.000 0.276 480 S C 0.760 175.300 174.600 -0.099 0.000 1.339 480 S CA -0.620 57.596 58.200 0.027 0.000 1.039 480 S CB 0.801 63.986 63.200 -0.026 0.000 0.902 480 S HN 0.568 nan 8.310 nan 0.000 0.516 481 L N 3.362 124.328 121.223 -0.429 0.000 2.737 481 L HA 0.231 4.573 4.340 0.003 0.000 0.246 481 L C 1.138 177.921 176.870 -0.145 0.000 1.153 481 L CA 0.817 55.487 54.840 -0.283 0.000 0.920 481 L CB -0.832 40.928 42.059 -0.499 0.000 1.090 481 L HN 0.744 nan 8.230 nan 0.000 0.430 482 V N -0.877 118.959 119.914 -0.129 0.000 3.379 482 V HA 0.122 4.244 4.120 0.003 0.000 0.249 482 V C 1.275 177.339 176.094 -0.051 0.000 1.184 482 V CA 0.519 62.768 62.300 -0.085 0.000 1.106 482 V CB 0.054 31.819 31.823 -0.097 0.000 0.826 482 V HN 0.463 nan 8.190 nan 0.000 0.465 483 N N -0.325 118.355 118.700 -0.033 0.000 2.205 483 N HA 0.124 4.866 4.740 0.003 0.000 0.201 483 N C 1.515 177.035 175.510 0.018 0.000 1.128 483 N CA -0.008 53.034 53.050 -0.013 0.000 0.867 483 N CB 0.007 38.485 38.487 -0.015 0.000 0.996 483 N HN 0.330 nan 8.380 nan 0.000 0.503 484 R N 1.125 121.654 120.500 0.048 0.000 2.113 484 R HA -0.047 4.295 4.340 0.003 0.000 0.231 484 R C 2.063 178.496 176.300 0.221 0.000 1.129 484 R CA 1.399 57.579 56.100 0.134 0.000 0.915 484 R CB 0.027 30.421 30.300 0.157 0.000 0.837 484 R HN -0.021 nan 8.270 nan 0.000 0.430 485 R N 0.154 120.752 120.500 0.162 0.000 2.081 485 R HA -0.058 4.284 4.340 0.003 0.000 0.235 485 R C -0.826 175.555 176.300 0.134 0.000 1.131 485 R CA 1.662 57.859 56.100 0.162 0.000 0.960 485 R CB -1.401 28.942 30.300 0.071 0.000 0.856 485 R HN 0.298 nan 8.270 nan 0.000 0.436 486 P HA -0.112 nan 4.420 nan 0.000 0.216 486 P C 1.667 178.985 177.300 0.030 0.000 1.150 486 P CA 0.975 64.096 63.100 0.034 0.000 0.837 486 P CB -0.272 31.427 31.700 -0.001 0.000 0.786 487 c N -1.843 116.761 118.600 0.006 0.000 2.432 487 c HA -0.153 4.419 4.570 0.003 0.000 0.277 487 c C 2.398 176.416 174.090 -0.121 0.000 1.249 487 c CA 0.768 57.046 56.329 -0.085 0.000 1.725 487 c CB -2.114 40.299 42.510 -0.161 0.000 2.028 487 c HN 0.059 nan 8.230 nan 0.000 0.477 488 F N 1.157 121.098 119.950 -0.015 0.000 2.146 488 F HA -0.059 4.471 4.527 0.005 0.000 0.298 488 F C 2.844 178.654 175.800 0.016 0.000 1.096 488 F CA 1.956 59.946 58.000 -0.018 0.000 1.275 488 F CB -0.765 38.207 39.000 -0.048 0.000 1.008 488 F HN 0.118 nan 8.300 nan 0.000 0.480 489 S N -0.298 115.522 115.700 0.201 0.000 2.383 489 S HA -0.204 4.267 4.470 0.003 0.000 0.229 489 S C 2.312 176.967 174.600 0.093 0.000 1.030 489 S CA 1.009 59.294 58.200 0.141 0.000 1.002 489 S CB -0.587 62.669 63.200 0.094 0.000 0.829 489 S HN 0.374 nan 8.310 nan 0.000 0.467 490 A N 1.272 124.123 122.820 0.052 0.000 1.898 490 A HA 0.117 4.439 4.320 0.003 0.000 0.216 490 A C 0.859 178.456 177.584 0.022 0.000 1.181 490 A CA 0.516 52.566 52.037 0.021 0.000 0.620 490 A CB -0.760 18.235 19.000 -0.009 0.000 0.819 490 A HN 0.457 nan 8.150 nan 0.000 0.442 491 L N 0.614 121.849 121.223 0.020 0.000 2.811 491 L HA -0.140 4.201 4.340 0.003 0.000 0.304 491 L C 0.551 177.444 176.870 0.038 0.000 1.227 491 L CA 0.348 55.202 54.840 0.023 0.000 0.880 491 L CB -0.157 41.937 42.059 0.057 0.000 1.169 491 L HN 0.504 nan 8.230 nan 0.000 0.498 492 E N 1.427 121.640 120.200 0.021 0.000 2.243 492 E HA 0.447 4.799 4.350 0.003 0.000 0.260 492 E C -0.780 175.832 176.600 0.019 0.000 0.985 492 E CA -0.862 55.550 56.400 0.019 0.000 0.858 492 E CB 1.729 31.436 29.700 0.012 0.000 1.210 492 E HN 0.276 nan 8.360 nan 0.000 0.411 493 V N 1.740 121.662 119.914 0.013 0.000 3.032 493 V HA -0.084 4.038 4.120 0.003 0.000 0.307 493 V C 0.251 176.359 176.094 0.023 0.000 1.097 493 V CA 0.459 62.766 62.300 0.012 0.000 1.191 493 V CB 0.595 32.423 31.823 0.008 0.000 0.964 493 V HN 0.652 nan 8.190 nan 0.000 0.494 494 D N 2.935 123.352 120.400 0.028 0.000 2.411 494 D HA 0.113 4.754 4.640 0.003 0.000 0.225 494 D C 0.886 177.243 176.300 0.095 0.000 1.156 494 D CA -0.305 53.730 54.000 0.058 0.000 0.874 494 D CB 1.139 41.972 40.800 0.054 0.000 1.034 494 D HN 0.540 nan 8.370 nan 0.000 0.502 495 E N 1.745 121.988 120.200 0.073 0.000 2.107 495 E HA -0.086 4.266 4.350 0.003 0.000 0.191 495 E C 1.720 178.370 176.600 0.083 0.000 0.982 495 E CA 0.816 57.257 56.400 0.068 0.000 0.809 495 E CB -0.234 29.491 29.700 0.042 0.000 0.756 495 E HN 0.465 nan 8.360 nan 0.000 0.459 496 T N 1.044 115.649 114.554 0.085 0.000 2.759 496 T HA -0.206 4.145 4.350 0.003 0.000 0.269 496 T C 0.711 175.472 174.700 0.102 0.000 1.042 496 T CA 0.651 62.798 62.100 0.078 0.000 1.140 496 T CB -0.527 68.386 68.868 0.076 0.000 0.864 496 T HN 0.148 nan 8.240 nan 0.000 0.455 497 Y N 2.588 122.901 120.300 0.022 0.000 2.969 497 Y HA 0.096 4.647 4.550 0.002 0.000 0.339 497 Y C -0.270 175.645 175.900 0.025 0.000 1.272 497 Y CA -0.587 57.529 58.100 0.027 0.000 1.577 497 Y CB 0.176 38.655 38.460 0.032 0.000 1.234 497 Y HN -0.126 nan 8.280 nan 0.000 0.590 498 V N 9.626 129.076 119.914 -0.774 0.000 2.311 498 V HA 0.252 4.373 4.120 0.003 0.000 0.275 498 V C -1.934 173.580 176.094 -0.967 0.000 1.022 498 V CA -1.965 59.974 62.300 -0.602 0.000 0.830 498 V CB 0.809 32.445 31.823 -0.310 0.000 1.012 498 V HN 0.735 nan 8.190 nan 0.000 0.452 499 P HA 0.001 nan 4.420 nan 0.000 0.264 499 P C -0.073 177.204 177.300 -0.039 0.000 1.179 499 P CA -0.038 62.950 63.100 -0.186 0.000 0.763 499 P CB 0.734 32.430 31.700 -0.007 0.000 0.806 500 K N 2.831 123.327 120.400 0.161 0.000 2.336 500 K HA 0.070 4.392 4.320 0.003 0.000 0.262 500 K C 0.177 176.947 176.600 0.284 0.000 0.992 500 K CA -0.282 56.113 56.287 0.180 0.000 0.927 500 K CB 0.721 33.340 32.500 0.198 0.000 0.956 500 K HN 0.455 nan 8.250 nan 0.000 0.495 501 E N 0.688 121.000 120.200 0.186 0.000 2.397 501 E HA 0.038 4.389 4.350 0.003 0.000 0.254 501 E C -0.770 175.931 176.600 0.169 0.000 1.231 501 E CA -0.650 55.886 56.400 0.227 0.000 0.954 501 E CB 0.406 30.183 29.700 0.129 0.000 1.024 501 E HN 0.432 nan 8.360 nan 0.000 0.481 502 F N 1.813 121.782 119.950 0.031 0.000 2.382 502 F HA 0.283 4.811 4.527 0.002 0.000 0.331 502 F C -0.107 175.643 175.800 -0.083 0.000 1.121 502 F CA -0.267 57.598 58.000 -0.225 0.000 1.183 502 F CB 0.808 39.780 39.000 -0.047 0.000 1.207 502 F HN 0.257 nan 8.300 nan 0.000 0.555 503 N N 3.615 121.661 118.700 -1.090 0.000 2.664 503 N HA 0.227 4.969 4.740 0.003 0.000 0.268 503 N C 0.179 175.222 175.510 -0.777 0.000 1.222 503 N CA 0.348 53.017 53.050 -0.635 0.000 0.805 503 N CB 1.609 39.856 38.487 -0.399 0.000 1.399 503 N HN 0.826 nan 8.380 nan 0.000 0.547 504 A N 3.175 125.758 122.820 -0.395 0.000 1.915 504 A HA -0.247 4.075 4.320 0.003 0.000 0.220 504 A C 1.724 179.244 177.584 -0.105 0.000 1.198 504 A CA 1.905 53.925 52.037 -0.029 0.000 0.647 504 A CB -0.443 18.676 19.000 0.199 0.000 0.825 504 A HN 0.823 nan 8.150 nan 0.000 0.456 505 E N -1.209 118.900 120.200 -0.152 0.000 2.048 505 E HA -0.206 4.146 4.350 0.003 0.000 0.202 505 E C 2.037 178.446 176.600 -0.319 0.000 1.021 505 E CA 1.769 58.066 56.400 -0.171 0.000 0.825 505 E CB -0.656 28.956 29.700 -0.148 0.000 0.756 505 E HN 0.609 nan 8.360 nan 0.000 0.454 506 T N 0.422 114.690 114.554 -0.478 0.000 2.848 506 T HA -0.172 4.180 4.350 0.003 0.000 0.269 506 T C 0.660 174.779 174.700 -0.968 0.000 1.081 506 T CA 1.133 62.783 62.100 -0.750 0.000 1.125 506 T CB -0.183 68.084 68.868 -1.003 0.000 0.848 506 T HN 0.075 nan 8.240 nan 0.000 0.503 507 F N 0.872 120.653 119.950 -0.282 0.000 2.855 507 F HA 0.331 4.859 4.527 0.002 0.000 0.317 507 F C 0.484 176.173 175.800 -0.184 0.000 1.169 507 F CA -0.742 57.165 58.000 -0.156 0.000 1.299 507 F CB 0.130 39.160 39.000 0.050 0.000 0.962 507 F HN -0.196 nan 8.300 nan 0.000 0.506 508 T N 1.207 115.536 114.554 -0.374 0.000 2.797 508 T HA 0.601 4.952 4.350 0.003 0.000 0.279 508 T C -0.806 173.629 174.700 -0.441 0.000 0.991 508 T CA -0.184 61.812 62.100 -0.174 0.000 0.979 508 T CB 0.984 69.823 68.868 -0.048 0.000 0.943 508 T HN -0.143 nan 8.240 nan 0.000 0.444 509 F N 1.501 121.648 119.950 0.329 0.000 2.551 509 F HA 0.548 5.077 4.527 0.002 0.000 0.316 509 F C 0.360 176.204 175.800 0.075 0.000 1.089 509 F CA -1.071 57.145 58.000 0.361 0.000 0.915 509 F CB 1.584 40.935 39.000 0.586 0.000 1.186 509 F HN 0.530 nan 8.300 nan 0.000 0.456 510 H N -0.068 119.019 119.070 0.028 0.000 2.615 510 H HA 0.606 5.164 4.556 0.003 0.000 0.346 510 H C 0.678 175.435 175.328 -0.952 0.000 1.200 510 H CA -0.344 55.484 56.048 -0.368 0.000 1.264 510 H CB 1.396 31.053 29.762 -0.174 0.000 1.699 510 H HN 0.674 nan 8.280 nan 0.000 0.567 511 A N 0.605 122.885 122.820 -0.900 0.000 2.076 511 A HA -0.208 4.114 4.320 0.003 0.000 0.220 511 A C 1.806 179.191 177.584 -0.332 0.000 1.160 511 A CA 1.670 53.220 52.037 -0.812 0.000 0.653 511 A CB -0.746 18.041 19.000 -0.355 0.000 0.801 511 A HN 0.904 nan 8.150 nan 0.000 0.455 512 D N 1.452 121.738 120.400 -0.190 0.000 2.172 512 D HA -0.263 4.378 4.640 0.003 0.000 0.196 512 D C 1.577 177.851 176.300 -0.044 0.000 0.999 512 D CA 1.895 55.845 54.000 -0.083 0.000 0.856 512 D CB -0.852 39.915 40.800 -0.055 0.000 0.934 512 D HN 0.700 nan 8.370 nan 0.000 0.453 513 I N -0.606 119.946 120.570 -0.030 0.000 2.700 513 I HA -0.141 4.031 4.170 0.003 0.000 0.261 513 I C 2.106 178.248 176.117 0.041 0.000 1.219 513 I CA 0.358 61.691 61.300 0.056 0.000 1.463 513 I CB -0.928 37.170 38.000 0.163 0.000 1.092 513 I HN 0.008 nan 8.210 nan 0.000 0.452 514 c N -0.217 118.385 118.600 0.003 0.000 2.467 514 c HA 0.000 4.572 4.570 0.003 0.000 0.279 514 c C 2.242 176.337 174.090 0.008 0.000 1.347 514 c CA 1.032 57.376 56.329 0.024 0.000 1.748 514 c CB -1.305 41.224 42.510 0.031 0.000 1.977 514 c HN 0.662 nan 8.230 nan 0.000 0.501 515 T N 1.041 115.592 114.554 -0.005 0.000 3.284 515 T HA 0.442 4.794 4.350 0.003 0.000 0.249 515 T C -0.201 174.500 174.700 0.002 0.000 0.944 515 T CA 0.171 62.269 62.100 -0.004 0.000 0.919 515 T CB -0.764 68.097 68.868 -0.011 0.000 1.089 515 T HN 0.297 nan 8.240 nan 0.000 0.576 516 L N 1.457 122.686 121.223 0.010 0.000 2.323 516 L HA 0.579 4.921 4.340 0.003 0.000 0.265 516 L C 0.599 177.475 176.870 0.010 0.000 1.012 516 L CA -1.162 53.686 54.840 0.014 0.000 0.820 516 L CB 2.223 44.299 42.059 0.029 0.000 1.334 516 L HN 0.267 nan 8.230 nan 0.000 0.427 517 S N -0.682 115.023 115.700 0.008 0.000 2.584 517 S HA 0.006 4.478 4.470 0.003 0.000 0.270 517 S C 0.889 175.485 174.600 -0.008 0.000 1.346 517 S CA -0.175 58.026 58.200 0.001 0.000 1.018 517 S CB 1.084 64.286 63.200 0.004 0.000 0.899 517 S HN 0.810 nan 8.310 nan 0.000 0.542 518 E N 0.946 121.131 120.200 -0.024 0.000 2.130 518 E HA -0.204 4.148 4.350 0.003 0.000 0.196 518 E C 1.736 178.302 176.600 -0.058 0.000 0.998 518 E CA 1.388 57.754 56.400 -0.057 0.000 0.806 518 E CB -0.117 29.541 29.700 -0.070 0.000 0.738 518 E HN 0.580 nan 8.360 nan 0.000 0.459 519 K N -0.099 120.287 120.400 -0.022 0.000 2.525 519 K HA -0.009 4.313 4.320 0.003 0.000 0.192 519 K C 1.191 177.805 176.600 0.023 0.000 1.029 519 K CA 0.771 57.059 56.287 0.003 0.000 1.029 519 K CB -0.007 32.503 32.500 0.016 0.000 0.814 519 K HN 0.276 nan 8.250 nan 0.000 0.503 520 E N 0.078 120.290 120.200 0.021 0.000 2.228 520 E HA 0.175 4.526 4.350 0.003 0.000 0.197 520 E C 2.133 178.770 176.600 0.062 0.000 0.909 520 E CA 0.476 56.900 56.400 0.040 0.000 0.911 520 E CB -0.058 29.662 29.700 0.033 0.000 0.887 520 E HN 0.385 nan 8.360 nan 0.000 0.481 521 R N 1.127 121.657 120.500 0.050 0.000 2.083 521 R HA -0.141 4.200 4.340 0.003 0.000 0.237 521 R C 2.451 178.817 176.300 0.111 0.000 1.137 521 R CA 1.483 57.633 56.100 0.082 0.000 0.951 521 R CB -0.334 29.994 30.300 0.046 0.000 0.851 521 R HN 0.210 nan 8.270 nan 0.000 0.434 522 Q N 0.728 120.563 119.800 0.058 0.000 1.998 522 Q HA -0.208 4.134 4.340 0.003 0.000 0.209 522 Q C 2.254 178.377 176.000 0.206 0.000 1.002 522 Q CA 1.953 57.834 55.803 0.131 0.000 0.858 522 Q CB -0.307 28.465 28.738 0.056 0.000 0.932 522 Q HN 0.392 nan 8.270 nan 0.000 0.416 523 I N 0.579 121.237 120.570 0.146 0.000 2.335 523 I HA -0.309 3.863 4.170 0.003 0.000 0.251 523 I C 2.165 178.364 176.117 0.137 0.000 1.129 523 I CA 1.238 62.616 61.300 0.129 0.000 1.402 523 I CB -0.347 37.709 38.000 0.092 0.000 1.069 523 I HN 0.208 nan 8.210 nan 0.000 0.424 524 K N 1.128 121.623 120.400 0.158 0.000 2.062 524 K HA -0.127 4.195 4.320 0.003 0.000 0.205 524 K C 2.128 178.879 176.600 0.252 0.000 1.051 524 K CA 1.198 57.608 56.287 0.205 0.000 0.941 524 K CB -0.055 32.588 32.500 0.239 0.000 0.719 524 K HN 0.310 nan 8.250 nan 0.000 0.440 525 K N 1.044 121.585 120.400 0.234 0.000 2.057 525 K HA -0.132 4.190 4.320 0.003 0.000 0.206 525 K C 2.192 178.860 176.600 0.113 0.000 1.050 525 K CA 1.217 57.611 56.287 0.179 0.000 0.935 525 K CB -0.036 32.621 32.500 0.261 0.000 0.715 525 K HN 0.161 nan 8.250 nan 0.000 0.439 526 Q N 0.227 120.115 119.800 0.148 0.000 2.167 526 Q HA -0.097 4.244 4.340 0.003 0.000 0.202 526 Q C 1.900 177.944 176.000 0.074 0.000 0.970 526 Q CA 1.461 57.320 55.803 0.093 0.000 0.855 526 Q CB -0.086 28.719 28.738 0.111 0.000 0.911 526 Q HN 0.307 nan 8.270 nan 0.000 0.438 527 T N 0.711 115.320 114.554 0.092 0.000 2.821 527 T HA -0.087 4.265 4.350 0.003 0.000 0.267 527 T C 1.901 176.638 174.700 0.062 0.000 1.046 527 T CA 1.111 63.250 62.100 0.065 0.000 1.139 527 T CB -0.158 68.746 68.868 0.059 0.000 0.871 527 T HN 0.375 nan 8.240 nan 0.000 0.454 528 A N 1.232 124.121 122.820 0.115 0.000 1.930 528 A HA 0.026 4.348 4.320 0.003 0.000 0.217 528 A C 2.192 179.886 177.584 0.184 0.000 1.175 528 A CA 0.998 53.138 52.037 0.172 0.000 0.627 528 A CB -0.741 18.460 19.000 0.336 0.000 0.815 528 A HN 0.378 nan 8.150 nan 0.000 0.443 529 L N 0.127 121.396 121.223 0.078 0.000 2.012 529 L HA -0.146 4.196 4.340 0.003 0.000 0.210 529 L C 2.465 179.382 176.870 0.077 0.000 1.073 529 L CA 2.068 56.936 54.840 0.047 0.000 0.748 529 L CB -0.660 41.395 42.059 -0.007 0.000 0.891 529 L HN 0.188 nan 8.230 nan 0.000 0.431 530 V N -0.372 119.581 119.914 0.064 0.000 2.295 530 V HA -0.251 3.870 4.120 0.003 0.000 0.246 530 V C 2.617 178.772 176.094 0.101 0.000 1.049 530 V CA 1.798 64.133 62.300 0.059 0.000 1.024 530 V CB -0.781 31.064 31.823 0.038 0.000 0.648 530 V HN 0.440 nan 8.190 nan 0.000 0.447 531 E N -0.096 120.172 120.200 0.114 0.000 2.118 531 E HA -0.216 4.136 4.350 0.003 0.000 0.195 531 E C 2.076 178.916 176.600 0.400 0.000 0.992 531 E CA 1.135 57.623 56.400 0.148 0.000 0.804 531 E CB -0.443 29.204 29.700 -0.087 0.000 0.741 531 E HN 0.466 nan 8.360 nan 0.000 0.458 532 L N 0.629 122.110 121.223 0.431 0.000 1.976 532 L HA -0.141 4.201 4.340 0.003 0.000 0.209 532 L C 2.319 179.321 176.870 0.219 0.000 1.071 532 L CA 1.482 56.518 54.840 0.328 0.000 0.746 532 L CB -0.842 41.309 42.059 0.154 0.000 0.890 532 L HN -0.093 nan 8.230 nan 0.000 0.432 533 V N -0.079 119.920 119.914 0.142 0.000 2.469 533 V HA -0.283 3.838 4.120 0.003 0.000 0.251 533 V C 2.515 178.689 176.094 0.134 0.000 1.064 533 V CA 1.888 64.244 62.300 0.094 0.000 1.066 533 V CB -0.887 30.959 31.823 0.038 0.000 0.667 533 V HN 0.463 nan 8.190 nan 0.000 0.461 534 K N -0.892 119.613 120.400 0.176 0.000 2.365 534 K HA -0.131 4.191 4.320 0.003 0.000 0.199 534 K C 2.036 178.859 176.600 0.371 0.000 1.045 534 K CA 0.997 57.422 56.287 0.230 0.000 0.962 534 K CB -0.094 32.520 32.500 0.189 0.000 0.759 534 K HN 0.543 nan 8.250 nan 0.000 0.469 535 H N 0.199 119.404 119.070 0.225 0.000 2.516 535 H HA 0.121 4.678 4.556 0.003 0.000 0.284 535 H C 0.192 175.618 175.328 0.162 0.000 0.999 535 H CA 1.164 57.343 56.048 0.217 0.000 1.303 535 H CB 0.619 30.545 29.762 0.273 0.000 1.452 535 H HN -0.043 nan 8.280 nan 0.000 0.530 536 K N 1.369 121.810 120.400 0.070 0.000 2.954 536 K HA 0.309 4.631 4.320 0.003 0.000 0.171 536 K C -2.400 174.223 176.600 0.039 0.000 1.079 536 K CA -0.902 55.372 56.287 -0.020 0.000 0.908 536 K CB 0.089 32.566 32.500 -0.039 0.000 1.142 536 K HN 0.260 nan 8.250 nan 0.000 0.613 537 P HA -0.186 nan 4.420 nan 0.000 0.222 537 P C 0.257 177.584 177.300 0.045 0.000 1.147 537 P CA 0.934 64.086 63.100 0.086 0.000 0.790 537 P CB 0.306 32.116 31.700 0.183 0.000 0.780 538 K N -0.302 120.115 120.400 0.030 0.000 2.476 538 K HA 0.303 4.625 4.320 0.003 0.000 0.196 538 K C 1.171 177.771 176.600 -0.001 0.000 1.025 538 K CA -0.358 55.937 56.287 0.013 0.000 1.138 538 K CB -0.349 32.154 32.500 0.006 0.000 0.860 538 K HN 0.095 nan 8.250 nan 0.000 0.515 539 A N 1.051 123.871 122.820 -0.001 0.000 2.387 539 A HA 0.280 4.601 4.320 0.003 0.000 0.251 539 A C 0.250 177.827 177.584 -0.011 0.000 1.113 539 A CA 0.269 52.301 52.037 -0.009 0.000 0.794 539 A CB 0.199 19.195 19.000 -0.007 0.000 1.069 539 A HN 0.206 nan 8.150 nan 0.000 0.506 540 T N -0.085 114.461 114.554 -0.014 0.000 2.924 540 T HA 0.354 4.705 4.350 0.003 0.000 0.291 540 T C 0.887 175.576 174.700 -0.018 0.000 1.045 540 T CA -0.738 61.353 62.100 -0.015 0.000 1.015 540 T CB 1.691 70.551 68.868 -0.013 0.000 1.103 540 T HN 0.593 nan 8.240 nan 0.000 0.496 541 K N 0.597 120.985 120.400 -0.020 0.000 2.280 541 K HA -0.118 4.204 4.320 0.003 0.000 0.202 541 K C 1.433 178.024 176.600 -0.016 0.000 1.047 541 K CA 1.354 57.627 56.287 -0.022 0.000 0.942 541 K CB 0.134 32.620 32.500 -0.023 0.000 0.739 541 K HN 0.540 nan 8.250 nan 0.000 0.457 542 E N 0.776 120.968 120.200 -0.013 0.000 2.030 542 E HA -0.093 4.259 4.350 0.003 0.000 0.189 542 E C 2.007 178.601 176.600 -0.010 0.000 0.974 542 E CA 0.791 57.185 56.400 -0.010 0.000 0.807 542 E CB 0.011 29.706 29.700 -0.009 0.000 0.771 542 E HN 0.192 nan 8.360 nan 0.000 0.451 543 Q N 0.155 119.948 119.800 -0.012 0.000 2.112 543 Q HA -0.202 4.139 4.340 0.003 0.000 0.206 543 Q C 2.095 178.087 176.000 -0.013 0.000 0.987 543 Q CA 1.039 56.834 55.803 -0.013 0.000 0.858 543 Q CB -0.153 28.576 28.738 -0.016 0.000 0.905 543 Q HN 0.132 nan 8.270 nan 0.000 0.420 544 L N 1.102 122.316 121.223 -0.014 0.000 1.976 544 L HA -0.232 4.110 4.340 0.003 0.000 0.209 544 L C 2.685 179.550 176.870 -0.009 0.000 1.071 544 L CA 2.657 57.487 54.840 -0.015 0.000 0.746 544 L CB -1.048 40.999 42.059 -0.020 0.000 0.890 544 L HN 0.163 nan 8.230 nan 0.000 0.432 545 K N -0.645 119.750 120.400 -0.008 0.000 2.160 545 K HA -0.128 4.193 4.320 0.003 0.000 0.206 545 K C 2.116 178.722 176.600 0.011 0.000 1.047 545 K CA 1.816 58.104 56.287 0.000 0.000 0.930 545 K CB -1.598 30.901 32.500 -0.002 0.000 0.720 545 K HN 0.581 nan 8.250 nan 0.000 0.450 546 A N 0.338 123.162 122.820 0.006 0.000 1.897 546 A HA 0.085 4.407 4.320 0.003 0.000 0.215 546 A C 2.593 180.188 177.584 0.018 0.000 1.181 546 A CA 1.607 53.649 52.037 0.009 0.000 0.620 546 A CB -0.309 18.691 19.000 0.001 0.000 0.821 546 A HN 0.310 nan 8.150 nan 0.000 0.443 547 V N 0.041 119.962 119.914 0.011 0.000 2.358 547 V HA -0.294 3.827 4.120 0.003 0.000 0.246 547 V C 2.635 178.764 176.094 0.058 0.000 1.047 547 V CA 2.160 64.470 62.300 0.018 0.000 1.035 547 V CB -0.714 31.102 31.823 -0.012 0.000 0.658 547 V HN 0.554 nan 8.190 nan 0.000 0.452 548 M N 0.215 119.842 119.600 0.045 0.000 2.213 548 M HA -0.175 4.307 4.480 0.003 0.000 0.263 548 M C 2.140 178.526 176.300 0.144 0.000 1.062 548 M CA 2.257 57.606 55.300 0.081 0.000 1.105 548 M CB -1.003 31.619 32.600 0.036 0.000 1.385 548 M HN 0.664 nan 8.290 nan 0.000 0.417 549 D N 0.373 120.828 120.400 0.092 0.000 2.097 549 D HA -0.178 4.463 4.640 0.003 0.000 0.197 549 D C 1.564 177.920 176.300 0.093 0.000 0.984 549 D CA 1.575 55.625 54.000 0.084 0.000 0.826 549 D CB -0.630 40.199 40.800 0.048 0.000 0.973 549 D HN 0.365 nan 8.370 nan 0.000 0.460 550 D N -1.140 119.311 120.400 0.085 0.000 2.178 550 D HA -0.049 4.592 4.640 0.003 0.000 0.201 550 D C 1.630 177.999 176.300 0.115 0.000 0.980 550 D CA 0.464 54.505 54.000 0.068 0.000 0.842 550 D CB -0.419 40.400 40.800 0.033 0.000 0.948 550 D HN 0.526 nan 8.370 nan 0.000 0.472 551 F N 1.609 121.572 119.950 0.022 0.000 2.163 551 F HA -0.044 4.485 4.527 0.003 0.000 0.297 551 F C 2.227 178.086 175.800 0.098 0.000 1.094 551 F CA 1.113 59.155 58.000 0.071 0.000 1.290 551 F CB -0.241 38.775 39.000 0.026 0.000 1.017 551 F HN -0.077 nan 8.300 nan 0.000 0.483 552 A N 0.826 123.763 122.820 0.194 0.000 1.859 552 A HA -0.257 4.064 4.320 0.003 0.000 0.218 552 A C 2.469 180.030 177.584 -0.039 0.000 1.209 552 A CA 2.686 54.776 52.037 0.088 0.000 0.639 552 A CB -1.741 17.322 19.000 0.104 0.000 0.835 552 A HN 0.530 nan 8.150 nan 0.000 0.450 553 A N -1.260 121.553 122.820 -0.011 0.000 1.849 553 A HA -0.170 4.152 4.320 0.003 0.000 0.217 553 A C 2.114 179.635 177.584 -0.106 0.000 1.202 553 A CA 1.929 53.941 52.037 -0.042 0.000 0.629 553 A CB -1.117 17.879 19.000 -0.007 0.000 0.834 553 A HN 0.942 nan 8.150 nan 0.000 0.447 554 F N 0.543 120.324 119.950 -0.282 0.000 2.063 554 F HA -0.344 4.185 4.527 0.003 0.000 0.296 554 F C 2.156 177.622 175.800 -0.558 0.000 1.093 554 F CA 2.371 60.120 58.000 -0.417 0.000 1.229 554 F CB -0.334 38.367 39.000 -0.497 0.000 0.971 554 F HN 0.104 nan 8.300 nan 0.000 0.491 555 V N 0.410 119.880 119.914 -0.739 0.000 2.216 555 V HA -0.320 3.801 4.120 0.003 0.000 0.242 555 V C 2.793 178.623 176.094 -0.440 0.000 1.042 555 V CA 2.794 64.670 62.300 -0.706 0.000 0.991 555 V CB -1.688 29.876 31.823 -0.431 0.000 0.633 555 V HN 0.569 nan 8.190 nan 0.000 0.449 556 E N 0.478 120.527 120.200 -0.252 0.000 2.086 556 E HA -0.370 3.981 4.350 0.003 0.000 0.200 556 E C 2.267 178.760 176.600 -0.178 0.000 1.012 556 E CA 2.123 58.429 56.400 -0.156 0.000 0.812 556 E CB -0.789 28.852 29.700 -0.097 0.000 0.743 556 E HN 0.503 nan 8.360 nan 0.000 0.453 557 K N -0.061 120.211 120.400 -0.213 0.000 2.063 557 K HA -0.112 4.209 4.320 0.003 0.000 0.208 557 K C 2.231 178.683 176.600 -0.247 0.000 1.048 557 K CA 1.686 57.860 56.287 -0.188 0.000 0.928 557 K CB -0.994 31.413 32.500 -0.155 0.000 0.713 557 K HN 0.519 nan 8.250 nan 0.000 0.442 558 c N 0.070 118.386 118.600 -0.475 0.000 2.514 558 c HA 0.039 4.611 4.570 0.003 0.000 0.271 558 c C 2.800 176.797 174.090 -0.155 0.000 1.399 558 c CA 0.081 56.089 56.329 -0.536 0.000 1.765 558 c CB -0.947 40.662 42.510 -1.502 0.000 1.893 558 c HN 0.601 nan 8.230 nan 0.000 0.531 559 c N -0.889 117.653 118.600 -0.096 0.000 2.519 559 c HA -0.016 4.556 4.570 0.003 0.000 0.281 559 c C 2.492 176.588 174.090 0.009 0.000 1.331 559 c CA 0.630 56.996 56.329 0.061 0.000 1.725 559 c CB -0.935 41.605 42.510 0.050 0.000 2.079 559 c HN 0.549 nan 8.230 nan 0.000 0.496 560 K N 0.788 121.167 120.400 -0.035 0.000 2.589 560 K HA 0.538 4.860 4.320 0.003 0.000 0.204 560 K C 0.022 176.606 176.600 -0.026 0.000 1.029 560 K CA 0.449 56.720 56.287 -0.027 0.000 1.177 560 K CB -0.920 31.559 32.500 -0.036 0.000 0.902 560 K HN 0.556 nan 8.250 nan 0.000 0.501 561 A N 0.065 122.872 122.820 -0.022 0.000 2.371 561 A HA 0.613 4.934 4.320 0.003 0.000 0.311 561 A C -0.113 177.475 177.584 0.006 0.000 1.068 561 A CA -0.181 51.846 52.037 -0.017 0.000 0.744 561 A CB 1.020 19.997 19.000 -0.039 0.000 1.239 561 A HN 0.594 nan 8.150 nan 0.000 0.435 562 D N 1.408 121.812 120.400 0.007 0.000 2.515 562 D HA 0.331 4.972 4.640 0.003 0.000 0.230 562 D C 0.413 176.729 176.300 0.028 0.000 1.181 562 D CA 1.231 55.240 54.000 0.016 0.000 0.875 562 D CB 0.047 40.854 40.800 0.012 0.000 1.213 562 D HN 1.381 nan 8.370 nan 0.000 0.478 563 D N -0.113 120.306 120.400 0.032 0.000 3.142 563 D HA -0.173 4.468 4.640 0.003 0.000 0.221 563 D C 1.549 177.891 176.300 0.070 0.000 1.193 563 D CA 1.800 55.826 54.000 0.043 0.000 0.900 563 D CB -1.082 39.742 40.800 0.040 0.000 0.886 563 D HN 0.896 nan 8.370 nan 0.000 0.399 564 K N 2.676 123.126 120.400 0.084 0.000 1.987 564 K HA -0.226 4.096 4.320 0.003 0.000 0.216 564 K C 1.963 178.701 176.600 0.229 0.000 1.051 564 K CA 2.285 58.672 56.287 0.166 0.000 0.942 564 K CB -0.910 31.669 32.500 0.133 0.000 0.722 564 K HN 0.545 nan 8.250 nan 0.000 0.444 565 E N 0.289 120.551 120.200 0.103 0.000 2.095 565 E HA -0.209 4.143 4.350 0.003 0.000 0.212 565 E C 2.274 178.960 176.600 0.144 0.000 1.044 565 E CA 2.789 59.236 56.400 0.079 0.000 0.857 565 E CB -0.908 28.820 29.700 0.047 0.000 0.764 565 E HN 0.589 nan 8.360 nan 0.000 0.462 566 T N -0.008 114.614 114.554 0.114 0.000 2.607 566 T HA -0.277 4.074 4.350 0.003 0.000 0.267 566 T C 2.002 176.784 174.700 0.138 0.000 1.049 566 T CA 1.533 63.697 62.100 0.106 0.000 1.162 566 T CB -1.040 67.872 68.868 0.073 0.000 0.863 566 T HN 0.490 nan 8.240 nan 0.000 0.424 567 c N 0.844 119.523 118.600 0.132 0.000 2.318 567 c HA -0.244 4.327 4.570 0.003 0.000 0.272 567 c C 2.300 176.462 174.090 0.120 0.000 1.156 567 c CA 1.200 57.580 56.329 0.084 0.000 1.783 567 c CB -1.763 40.755 42.510 0.012 0.000 2.023 567 c HN 0.551 nan 8.230 nan 0.000 0.437 568 F N 1.662 121.613 119.950 0.002 0.000 2.063 568 F HA -0.159 4.369 4.527 0.003 0.000 0.298 568 F C 2.639 178.567 175.800 0.213 0.000 1.109 568 F CA 2.214 60.259 58.000 0.075 0.000 1.212 568 F CB -1.123 37.868 39.000 -0.014 0.000 0.973 568 F HN 0.346 nan 8.300 nan 0.000 0.480 569 A N -0.601 122.393 122.820 0.291 0.000 2.067 569 A HA -0.049 4.272 4.320 0.003 0.000 0.219 569 A C 2.031 179.708 177.584 0.155 0.000 1.158 569 A CA 1.877 54.021 52.037 0.178 0.000 0.661 569 A CB -1.148 17.913 19.000 0.101 0.000 0.801 569 A HN 0.433 nan 8.150 nan 0.000 0.452 570 E N 0.096 120.390 120.200 0.155 0.000 2.038 570 E HA -0.075 4.277 4.350 0.003 0.000 0.190 570 E C 1.778 178.446 176.600 0.113 0.000 0.967 570 E CA 0.944 57.410 56.400 0.110 0.000 0.816 570 E CB -0.633 29.118 29.700 0.085 0.000 0.784 570 E HN 0.539 nan 8.360 nan 0.000 0.456 571 E N 0.595 120.894 120.200 0.164 0.000 2.204 571 E HA -0.063 4.288 4.350 0.003 0.000 0.195 571 E C 2.314 178.929 176.600 0.025 0.000 0.990 571 E CA 0.988 57.478 56.400 0.151 0.000 0.821 571 E CB -0.712 29.174 29.700 0.312 0.000 0.750 571 E HN 0.522 nan 8.360 nan 0.000 0.477 572 G N 1.536 110.440 108.800 0.172 0.000 2.418 572 G HA2 -0.309 3.652 3.960 0.003 0.000 0.217 572 G HA3 -0.309 3.652 3.960 0.003 0.000 0.217 572 G C 1.927 176.836 174.900 0.015 0.000 1.158 572 G CA 0.977 46.096 45.100 0.032 0.000 0.771 572 G HN 0.206 nan 8.290 nan 0.000 0.545 573 K N 0.279 120.716 120.400 0.062 0.000 2.057 573 K HA 0.021 4.343 4.320 0.003 0.000 0.207 573 K C 2.544 179.147 176.600 0.004 0.000 1.049 573 K CA 1.499 57.816 56.287 0.050 0.000 0.931 573 K CB -0.439 32.092 32.500 0.053 0.000 0.714 573 K HN 0.460 nan 8.250 nan 0.000 0.440 574 K N 0.024 120.413 120.400 -0.018 0.000 2.009 574 K HA -0.095 4.227 4.320 0.003 0.000 0.210 574 K C 2.224 178.775 176.600 -0.082 0.000 1.049 574 K CA 1.636 57.898 56.287 -0.042 0.000 0.929 574 K CB -0.446 32.032 32.500 -0.036 0.000 0.714 574 K HN 0.056 nan 8.250 nan 0.000 0.440 575 L N 1.123 122.246 121.223 -0.166 0.000 1.956 575 L HA -0.229 4.113 4.340 0.003 0.000 0.216 575 L C 2.097 178.908 176.870 -0.099 0.000 1.073 575 L CA 1.651 56.365 54.840 -0.210 0.000 0.762 575 L CB -0.628 41.134 42.059 -0.496 0.000 0.889 575 L HN -0.047 nan 8.230 nan 0.000 0.433 576 V N 0.120 120.009 119.914 -0.042 0.000 2.380 576 V HA -0.358 3.764 4.120 0.003 0.000 0.251 576 V C 2.708 178.787 176.094 -0.026 0.000 1.063 576 V CA 1.765 64.086 62.300 0.034 0.000 1.055 576 V CB -1.542 30.378 31.823 0.162 0.000 0.657 576 V HN 0.665 nan 8.190 nan 0.000 0.455 577 A N -0.042 122.754 122.820 -0.039 0.000 1.840 577 A HA -0.009 4.313 4.320 0.003 0.000 0.214 577 A C 2.442 179.988 177.584 -0.063 0.000 1.198 577 A CA 1.832 53.834 52.037 -0.059 0.000 0.608 577 A CB -0.915 18.060 19.000 -0.042 0.000 0.839 577 A HN 0.559 nan 8.150 nan 0.000 0.443 578 A N -0.657 122.129 122.820 -0.055 0.000 1.972 578 A HA -0.054 4.268 4.320 0.003 0.000 0.219 578 A C 2.428 179.981 177.584 -0.051 0.000 1.169 578 A CA 2.115 54.122 52.037 -0.050 0.000 0.635 578 A CB -0.753 18.219 19.000 -0.046 0.000 0.810 578 A HN 0.443 nan 8.150 nan 0.000 0.446 579 S N -0.725 114.941 115.700 -0.057 0.000 2.345 579 S HA -0.137 4.335 4.470 0.003 0.000 0.220 579 S C 2.185 176.748 174.600 -0.063 0.000 1.031 579 S CA 1.336 59.502 58.200 -0.057 0.000 0.996 579 S CB -0.350 62.812 63.200 -0.063 0.000 0.882 579 S HN 0.677 nan 8.310 nan 0.000 0.445 580 Q N 0.598 120.351 119.800 -0.079 0.000 2.248 580 Q HA -0.024 4.318 4.340 0.003 0.000 0.208 580 Q C 2.439 178.391 176.000 -0.080 0.000 0.984 580 Q CA 1.048 56.795 55.803 -0.094 0.000 0.875 580 Q CB -0.905 27.722 28.738 -0.184 0.000 0.910 580 Q HN 0.726 nan 8.270 nan 0.000 0.433 581 A N 0.350 123.128 122.820 -0.070 0.000 1.898 581 A HA 0.189 4.511 4.320 0.003 0.000 0.214 581 A C 2.408 179.964 177.584 -0.046 0.000 1.183 581 A CA 1.411 53.413 52.037 -0.057 0.000 0.622 581 A CB -0.881 18.089 19.000 -0.050 0.000 0.824 581 A HN 0.554 nan 8.150 nan 0.000 0.444 582 A N 0.122 122.917 122.820 -0.042 0.000 1.902 582 A HA -0.000 4.322 4.320 0.003 0.000 0.217 582 A C 1.836 179.399 177.584 -0.035 0.000 1.181 582 A CA 1.398 53.415 52.037 -0.034 0.000 0.623 582 A CB -0.643 18.339 19.000 -0.030 0.000 0.818 582 A HN 0.490 nan 8.150 nan 0.000 0.443 583 L N 0.044 121.243 121.223 -0.041 0.000 2.645 583 L HA 0.222 4.564 4.340 0.003 0.000 0.235 583 L C 1.461 178.301 176.870 -0.051 0.000 1.150 583 L CA -0.136 54.679 54.840 -0.043 0.000 0.911 583 L CB -1.749 40.284 42.059 -0.044 0.000 1.077 583 L HN 0.500 nan 8.230 nan 0.000 0.438 584 G N 0.000 108.771 108.800 -0.049 0.000 5.446 584 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 584 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 584 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925