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 2i30_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 0.000 175.360 175.328 0.054 0.000 0.993 3 H CA 0.000 56.075 56.048 0.045 0.000 1.023 3 H CB 0.000 29.766 29.762 0.006 0.000 1.292 4 K N 2.126 122.032 120.400 -0.824 0.000 2.484 4 K HA 0.173 4.511 4.320 0.030 0.000 0.280 4 K C -0.288 176.080 176.600 -0.388 0.000 1.013 4 K CA 1.027 56.994 56.287 -0.533 0.000 1.029 4 K CB 0.388 32.592 32.500 -0.493 0.000 0.902 4 K HN 0.777 nan 8.250 nan 0.000 0.481 5 S N 2.062 117.689 115.700 -0.121 0.000 3.388 5 S HA -0.133 4.355 4.470 0.030 0.000 0.569 5 S C 0.997 175.657 174.600 0.099 0.000 0.676 5 S CA 0.718 58.916 58.200 -0.003 0.000 1.373 5 S CB -0.345 62.836 63.200 -0.031 0.000 1.106 5 S HN 0.729 nan 8.310 nan 0.000 0.833 6 E N 3.556 123.846 120.200 0.150 0.000 2.047 6 E HA -0.065 4.303 4.350 0.030 0.000 0.191 6 E C 1.913 178.659 176.600 0.244 0.000 0.987 6 E CA 2.086 58.612 56.400 0.210 0.000 0.799 6 E CB -0.194 29.615 29.700 0.181 0.000 0.752 6 E HN 0.668 nan 8.360 nan 0.000 0.449 7 V N 1.225 121.285 119.914 0.243 0.000 2.252 7 V HA -0.338 3.800 4.120 0.030 0.000 0.249 7 V C 2.418 178.652 176.094 0.232 0.000 1.056 7 V CA 2.069 64.544 62.300 0.292 0.000 1.022 7 V CB -1.534 30.477 31.823 0.313 0.000 0.641 7 V HN 0.409 nan 8.190 nan 0.000 0.445 8 A N -0.456 122.451 122.820 0.146 0.000 1.869 8 A HA -0.362 3.976 4.320 0.030 0.000 0.218 8 A C 2.221 179.959 177.584 0.257 0.000 1.203 8 A CA 2.591 54.700 52.037 0.121 0.000 0.638 8 A CB -1.199 17.846 19.000 0.074 0.000 0.831 8 A HN 0.776 nan 8.150 nan 0.000 0.450 9 H N -1.040 118.131 119.070 0.169 0.000 2.290 9 H HA -0.154 4.420 4.556 0.030 0.000 0.298 9 H C 2.496 177.922 175.328 0.163 0.000 1.087 9 H CA 1.278 57.428 56.048 0.171 0.000 1.291 9 H CB 0.067 29.945 29.762 0.194 0.000 1.369 9 H HN 0.283 nan 8.280 nan 0.000 0.492 10 R N 0.086 120.725 120.500 0.233 0.000 2.083 10 R HA -0.176 4.182 4.340 0.030 0.000 0.237 10 R C 2.342 178.784 176.300 0.237 0.000 1.137 10 R CA 1.293 57.502 56.100 0.180 0.000 0.951 10 R CB -1.292 29.174 30.300 0.275 0.000 0.851 10 R HN 0.364 nan 8.270 nan 0.000 0.434 11 F N 2.156 122.146 119.950 0.067 0.000 2.069 11 F HA -0.227 4.318 4.527 0.030 0.000 0.298 11 F C 2.212 177.978 175.800 -0.058 0.000 1.113 11 F CA 1.673 59.560 58.000 -0.187 0.000 1.214 11 F CB -0.117 38.631 39.000 -0.419 0.000 0.978 11 F HN -0.083 nan 8.300 nan 0.000 0.474 12 K N -0.010 120.479 120.400 0.149 0.000 1.977 12 K HA -0.239 4.099 4.320 0.030 0.000 0.218 12 K C 1.488 178.095 176.600 0.011 0.000 1.051 12 K CA 2.079 58.417 56.287 0.086 0.000 0.953 12 K CB -0.805 31.797 32.500 0.172 0.000 0.727 12 K HN 0.427 nan 8.250 nan 0.000 0.445 13 D N 0.077 120.524 120.400 0.079 0.000 2.371 13 D HA -0.093 4.565 4.640 0.030 0.000 0.234 13 D C 1.295 177.595 176.300 0.000 0.000 1.049 13 D CA 0.398 54.423 54.000 0.042 0.000 0.907 13 D CB 0.198 41.042 40.800 0.073 0.000 0.891 13 D HN 0.003 nan 8.370 nan 0.000 0.531 14 L N 0.193 121.394 121.223 -0.037 0.000 2.433 14 L HA 0.424 4.782 4.340 0.030 0.000 0.200 14 L C 0.981 177.788 176.870 -0.104 0.000 1.059 14 L CA 1.588 56.412 54.840 -0.027 0.000 0.835 14 L CB -0.397 41.699 42.059 0.062 0.000 1.076 14 L HN 0.333 nan 8.230 nan 0.000 0.481 15 G N 0.262 108.885 108.800 -0.294 0.000 2.788 15 G HA2 -0.186 3.792 3.960 0.030 0.000 0.686 15 G HA3 -0.186 3.792 3.960 0.030 0.000 0.686 15 G C 0.464 175.078 174.900 -0.476 0.000 1.147 15 G CA 0.139 45.018 45.100 -0.368 0.000 0.755 15 G HN 0.336 nan 8.290 nan 0.000 0.634 16 E N 0.266 120.108 120.200 -0.596 0.000 2.160 16 E HA -0.191 4.176 4.350 0.030 0.000 0.195 16 E C 1.940 178.568 176.600 0.046 0.000 0.991 16 E CA 1.751 57.987 56.400 -0.273 0.000 0.810 16 E CB 0.001 29.736 29.700 0.060 0.000 0.742 16 E HN 0.543 nan 8.360 nan 0.000 0.466 17 E N 0.570 120.780 120.200 0.016 0.000 2.072 17 E HA -0.139 4.228 4.350 0.030 0.000 0.191 17 E C 1.855 178.510 176.600 0.092 0.000 0.985 17 E CA 0.829 57.270 56.400 0.069 0.000 0.801 17 E CB -0.246 29.482 29.700 0.047 0.000 0.750 17 E HN 0.365 nan 8.360 nan 0.000 0.452 18 N N 0.385 119.128 118.700 0.070 0.000 2.173 18 N HA -0.096 4.662 4.740 0.030 0.000 0.184 18 N C 1.791 177.376 175.510 0.124 0.000 1.025 18 N CA 0.423 53.520 53.050 0.079 0.000 0.852 18 N CB -0.646 37.872 38.487 0.052 0.000 0.998 18 N HN 0.108 nan 8.380 nan 0.000 0.427 19 F N 2.397 122.330 119.950 -0.028 0.000 2.184 19 F HA -0.210 4.335 4.527 0.030 0.000 0.301 19 F C 2.024 177.884 175.800 0.099 0.000 1.076 19 F CA 1.541 59.560 58.000 0.030 0.000 1.295 19 F CB 0.154 39.168 39.000 0.024 0.000 1.026 19 F HN -0.048 nan 8.300 nan 0.000 0.494 20 K N -0.144 120.450 120.400 0.324 0.000 2.076 20 K HA -0.000 4.338 4.320 0.030 0.000 0.204 20 K C 2.355 179.018 176.600 0.105 0.000 1.051 20 K CA 0.892 57.316 56.287 0.229 0.000 0.949 20 K CB -0.425 32.221 32.500 0.243 0.000 0.726 20 K HN 0.318 nan 8.250 nan 0.000 0.443 21 A N 1.571 124.448 122.820 0.094 0.000 1.877 21 A HA -0.141 4.197 4.320 0.030 0.000 0.216 21 A C 2.137 179.737 177.584 0.026 0.000 1.186 21 A CA 1.275 53.356 52.037 0.072 0.000 0.620 21 A CB -0.739 18.306 19.000 0.074 0.000 0.822 21 A HN 0.137 nan 8.150 nan 0.000 0.443 22 L N -0.510 120.698 121.223 -0.025 0.000 2.012 22 L HA -0.194 4.164 4.340 0.030 0.000 0.210 22 L C 2.546 179.343 176.870 -0.122 0.000 1.073 22 L CA 1.280 56.063 54.840 -0.093 0.000 0.748 22 L CB -0.606 41.370 42.059 -0.138 0.000 0.891 22 L HN 0.252 nan 8.230 nan 0.000 0.431 23 V N -0.191 119.627 119.914 -0.159 0.000 2.343 23 V HA -0.291 3.847 4.120 0.030 0.000 0.247 23 V C 2.378 178.568 176.094 0.160 0.000 1.051 23 V CA 1.707 63.972 62.300 -0.058 0.000 1.036 23 V CB -0.435 31.340 31.823 -0.080 0.000 0.654 23 V HN 0.339 nan 8.190 nan 0.000 0.451 24 L N 0.115 121.406 121.223 0.114 0.000 2.012 24 L HA -0.174 4.184 4.340 0.030 0.000 0.210 24 L C 2.187 179.118 176.870 0.103 0.000 1.073 24 L CA 2.026 56.946 54.840 0.134 0.000 0.748 24 L CB -0.517 41.614 42.059 0.119 0.000 0.891 24 L HN 0.232 nan 8.230 nan 0.000 0.431 25 I N -0.335 120.267 120.570 0.054 0.000 2.179 25 I HA -0.301 3.887 4.170 0.030 0.000 0.242 25 I C 2.625 178.738 176.117 -0.007 0.000 1.088 25 I CA 1.257 62.569 61.300 0.019 0.000 1.357 25 I CB -0.759 37.237 38.000 -0.007 0.000 1.051 25 I HN 0.384 nan 8.210 nan 0.000 0.409 26 A N 0.499 123.287 122.820 -0.054 0.000 1.940 26 A HA -0.215 4.123 4.320 0.030 0.000 0.219 26 A C 2.079 179.684 177.584 0.035 0.000 1.176 26 A CA 1.676 53.639 52.037 -0.124 0.000 0.631 26 A CB -0.885 17.887 19.000 -0.381 0.000 0.814 26 A HN 0.358 nan 8.150 nan 0.000 0.446 27 F N -0.317 119.718 119.950 0.141 0.000 2.293 27 F HA 0.110 4.655 4.527 0.030 0.000 0.297 27 F C 2.628 178.433 175.800 0.008 0.000 1.089 27 F CA 0.642 58.759 58.000 0.195 0.000 1.377 27 F CB -0.268 38.836 39.000 0.172 0.000 1.051 27 F HN 0.244 nan 8.300 nan 0.000 0.511 28 A N -0.761 122.054 122.820 -0.009 0.000 2.066 28 A HA -0.146 4.192 4.320 0.030 0.000 0.218 28 A C 2.021 179.615 177.584 0.017 0.000 1.157 28 A CA 1.079 53.065 52.037 -0.084 0.000 0.670 28 A CB -0.518 18.491 19.000 0.015 0.000 0.804 28 A HN 0.437 nan 8.150 nan 0.000 0.453 29 Q N -2.239 117.559 119.800 -0.004 0.000 2.331 29 Q HA -0.031 4.326 4.340 0.030 0.000 0.203 29 Q C 1.104 176.956 176.000 -0.246 0.000 0.944 29 Q CA 1.006 56.716 55.803 -0.155 0.000 0.892 29 Q CB 0.001 28.572 28.738 -0.278 0.000 0.983 29 Q HN 0.874 nan 8.270 nan 0.000 0.482 30 Y N -0.354 119.934 120.300 -0.019 0.000 2.439 30 Y HA 0.049 4.617 4.550 0.030 0.000 0.281 30 Y C 0.850 176.697 175.900 -0.089 0.000 1.145 30 Y CA -0.135 57.937 58.100 -0.047 0.000 1.252 30 Y CB 0.400 38.827 38.460 -0.056 0.000 1.271 30 Y HN -0.075 nan 8.280 nan 0.000 0.516 31 L N 2.877 124.212 121.223 0.187 0.000 2.416 31 L HA 0.082 4.440 4.340 0.030 0.000 0.243 31 L C 0.616 177.701 176.870 0.358 0.000 1.373 31 L CA 0.610 55.508 54.840 0.097 0.000 1.227 31 L CB -1.064 41.176 42.059 0.303 0.000 1.428 31 L HN 0.521 nan 8.230 nan 0.000 0.425 32 Q N -0.291 119.651 119.800 0.237 0.000 2.364 32 Q HA -0.193 4.165 4.340 0.030 0.000 0.207 32 Q C 1.545 177.743 176.000 0.330 0.000 0.970 32 Q CA 1.030 56.982 55.803 0.248 0.000 0.888 32 Q CB 0.247 29.059 28.738 0.125 0.000 0.951 32 Q HN 0.488 nan 8.270 nan 0.000 0.469 33 Q N -0.555 119.525 119.800 0.467 0.000 2.339 33 Q HA 0.042 4.400 4.340 0.030 0.000 0.205 33 Q C 0.142 176.317 176.000 0.291 0.000 0.925 33 Q CA 0.267 56.282 55.803 0.355 0.000 0.898 33 Q CB 0.430 29.342 28.738 0.290 0.000 1.013 33 Q HN 0.288 nan 8.270 nan 0.000 0.504 34 C N 3.169 122.680 119.300 0.351 0.000 2.689 34 C HA 0.201 4.679 4.460 0.030 0.000 0.409 34 C C -1.790 173.290 174.990 0.151 0.000 1.293 34 C CA -1.212 57.888 59.018 0.136 0.000 2.136 34 C CB -0.008 27.704 27.740 -0.047 0.000 2.719 34 C HN 0.402 nan 8.230 nan 0.000 0.644 35 P HA 0.000 nan 4.420 nan 0.000 0.272 35 P C 0.578 177.805 177.300 -0.122 0.000 1.240 35 P CA -0.022 63.114 63.100 0.060 0.000 0.791 35 P CB 0.359 32.060 31.700 0.003 0.000 0.978 36 F N 1.864 121.604 119.950 -0.351 0.000 2.126 36 F HA -0.220 4.324 4.527 0.030 0.000 0.299 36 F C 1.835 177.419 175.800 -0.360 0.000 1.096 36 F CA 2.014 59.600 58.000 -0.689 0.000 1.255 36 F CB -0.781 37.943 39.000 -0.460 0.000 0.997 36 F HN 0.250 nan 8.300 nan 0.000 0.479 37 E N 0.412 120.354 120.200 -0.429 0.000 2.077 37 E HA -0.196 4.171 4.350 0.030 0.000 0.193 37 E C 1.815 178.170 176.600 -0.408 0.000 0.989 37 E CA 1.641 57.769 56.400 -0.453 0.000 0.800 37 E CB -0.656 28.912 29.700 -0.221 0.000 0.746 37 E HN 0.407 nan 8.360 nan 0.000 0.452 38 D N -0.431 119.757 120.400 -0.355 0.000 2.182 38 D HA -0.156 4.502 4.640 0.030 0.000 0.201 38 D C 1.635 177.675 176.300 -0.432 0.000 0.986 38 D CA 1.052 54.835 54.000 -0.361 0.000 0.847 38 D CB -0.071 40.513 40.800 -0.359 0.000 0.942 38 D HN 0.301 nan 8.370 nan 0.000 0.467 39 H N -0.556 118.304 119.070 -0.350 0.000 2.403 39 H HA 0.064 4.638 4.556 0.030 0.000 0.298 39 H C 2.288 177.397 175.328 -0.364 0.000 1.059 39 H CA 0.527 56.376 56.048 -0.332 0.000 1.363 39 H CB -0.297 29.305 29.762 -0.266 0.000 1.410 39 H HN 0.049 nan 8.280 nan 0.000 0.528 40 V N 1.487 121.175 119.914 -0.377 0.000 2.392 40 V HA -0.263 3.874 4.120 0.030 0.000 0.249 40 V C 2.579 178.537 176.094 -0.227 0.000 1.059 40 V CA 2.003 64.096 62.300 -0.344 0.000 1.051 40 V CB -0.425 31.097 31.823 -0.502 0.000 0.658 40 V HN 0.240 nan 8.190 nan 0.000 0.455 41 K N 0.610 120.863 120.400 -0.244 0.000 2.009 41 K HA -0.164 4.173 4.320 0.030 0.000 0.210 41 K C 1.957 178.444 176.600 -0.188 0.000 1.049 41 K CA 1.797 57.968 56.287 -0.192 0.000 0.929 41 K CB -0.553 31.827 32.500 -0.200 0.000 0.714 41 K HN 0.402 nan 8.250 nan 0.000 0.440 42 L N -0.074 120.988 121.223 -0.267 0.000 1.989 42 L HA -0.211 4.147 4.340 0.030 0.000 0.211 42 L C 2.340 179.082 176.870 -0.212 0.000 1.071 42 L CA 1.324 55.949 54.840 -0.359 0.000 0.749 42 L CB -0.633 40.984 42.059 -0.737 0.000 0.890 42 L HN 0.049 nan 8.230 nan 0.000 0.431 43 V N 0.405 120.237 119.914 -0.135 0.000 2.252 43 V HA -0.338 3.799 4.120 0.030 0.000 0.249 43 V C 2.310 178.444 176.094 0.068 0.000 1.056 43 V CA 2.194 64.503 62.300 0.015 0.000 1.022 43 V CB -0.797 31.049 31.823 0.037 0.000 0.641 43 V HN 0.516 nan 8.190 nan 0.000 0.445 44 N N 0.005 118.715 118.700 0.017 0.000 2.069 44 N HA -0.231 4.527 4.740 0.030 0.000 0.191 44 N C 1.915 177.457 175.510 0.053 0.000 1.031 44 N CA 1.838 54.912 53.050 0.040 0.000 0.852 44 N CB -0.465 38.018 38.487 -0.006 0.000 1.018 44 N HN 0.644 nan 8.380 nan 0.000 0.423 45 E N 0.454 120.658 120.200 0.008 0.000 2.130 45 E HA -0.125 4.243 4.350 0.030 0.000 0.196 45 E C 1.678 178.335 176.600 0.094 0.000 0.998 45 E CA 0.902 57.312 56.400 0.017 0.000 0.806 45 E CB 0.196 29.863 29.700 -0.055 0.000 0.738 45 E HN 0.065 nan 8.360 nan 0.000 0.459 46 V N -0.058 119.930 119.914 0.124 0.000 2.649 46 V HA -0.146 3.992 4.120 0.030 0.000 0.248 46 V C 2.174 178.509 176.094 0.402 0.000 1.054 46 V CA 1.787 64.239 62.300 0.252 0.000 1.073 46 V CB -0.184 31.796 31.823 0.261 0.000 0.699 46 V HN 0.321 nan 8.190 nan 0.000 0.463 47 T N -0.163 114.600 114.554 0.348 0.000 2.732 47 T HA -0.157 4.210 4.350 0.030 0.000 0.261 47 T C 1.805 176.542 174.700 0.061 0.000 1.040 47 T CA 1.553 63.839 62.100 0.311 0.000 1.145 47 T CB -0.181 68.868 68.868 0.302 0.000 0.866 47 T HN 0.556 nan 8.240 nan 0.000 0.427 48 E N 0.366 120.610 120.200 0.074 0.000 2.097 48 E HA -0.175 4.192 4.350 0.030 0.000 0.196 48 E C 1.864 178.459 176.600 -0.008 0.000 1.000 48 E CA 1.241 57.645 56.400 0.007 0.000 0.804 48 E CB -0.318 29.403 29.700 0.035 0.000 0.740 48 E HN 0.467 nan 8.360 nan 0.000 0.454 49 F N 1.512 121.438 119.950 -0.040 0.000 2.051 49 F HA -0.204 4.341 4.527 0.030 0.000 0.296 49 F C 2.322 178.066 175.800 -0.095 0.000 1.122 49 F CA 1.607 59.585 58.000 -0.037 0.000 1.201 49 F CB -0.537 38.476 39.000 0.021 0.000 0.978 49 F HN -0.046 nan 8.300 nan 0.000 0.472 50 A N 0.372 123.156 122.820 -0.059 0.000 1.948 50 A HA -0.267 4.071 4.320 0.030 0.000 0.220 50 A C 2.234 179.419 177.584 -0.665 0.000 1.177 50 A CA 2.107 53.944 52.037 -0.334 0.000 0.636 50 A CB -0.820 17.971 19.000 -0.349 0.000 0.815 50 A HN 0.536 nan 8.150 nan 0.000 0.449 51 K N -1.127 118.877 120.400 -0.661 0.000 2.211 51 K HA -0.063 4.275 4.320 0.030 0.000 0.203 51 K C 1.924 178.288 176.600 -0.393 0.000 1.050 51 K CA 1.420 57.345 56.287 -0.603 0.000 0.945 51 K CB -0.270 31.979 32.500 -0.418 0.000 0.732 51 K HN 0.485 nan 8.250 nan 0.000 0.451 52 T N 0.715 115.032 114.554 -0.396 0.000 2.821 52 T HA -0.139 4.229 4.350 0.030 0.000 0.267 52 T C 2.035 176.532 174.700 -0.337 0.000 1.046 52 T CA 1.077 62.974 62.100 -0.339 0.000 1.139 52 T CB -0.232 68.400 68.868 -0.393 0.000 0.871 52 T HN 0.318 nan 8.240 nan 0.000 0.454 53 c N 0.843 119.184 118.600 -0.431 0.000 2.475 53 c HA 0.082 4.670 4.570 0.030 0.000 0.279 53 c C 2.808 176.786 174.090 -0.188 0.000 1.322 53 c CA -0.176 55.971 56.329 -0.303 0.000 1.734 53 c CB -1.074 41.249 42.510 -0.312 0.000 2.005 53 c HN 0.344 nan 8.230 nan 0.000 0.495 54 V N 1.680 121.464 119.914 -0.217 0.000 2.407 54 V HA -0.220 3.918 4.120 0.030 0.000 0.248 54 V C 2.691 178.731 176.094 -0.090 0.000 1.055 54 V CA 2.285 64.512 62.300 -0.121 0.000 1.049 54 V CB -1.203 30.524 31.823 -0.160 0.000 0.662 54 V HN 0.607 nan 8.190 nan 0.000 0.455 55 A N -0.405 122.339 122.820 -0.127 0.000 1.854 55 A HA -0.105 4.233 4.320 0.030 0.000 0.214 55 A C 1.324 178.863 177.584 -0.074 0.000 1.192 55 A CA 1.666 53.649 52.037 -0.091 0.000 0.611 55 A CB -0.146 18.791 19.000 -0.105 0.000 0.832 55 A HN 0.546 nan 8.150 nan 0.000 0.442 56 D N -1.262 119.082 120.400 -0.093 0.000 2.389 56 D HA 0.302 4.960 4.640 0.030 0.000 0.256 56 D C 0.391 176.642 176.300 -0.082 0.000 1.239 56 D CA -0.387 53.569 54.000 -0.073 0.000 0.925 56 D CB 0.637 41.396 40.800 -0.068 0.000 1.145 56 D HN 0.309 nan 8.370 nan 0.000 0.542 57 E N 0.896 121.059 120.200 -0.063 0.000 2.219 57 E HA -0.120 4.248 4.350 0.030 0.000 0.198 57 E C 0.693 177.250 176.600 -0.072 0.000 0.998 57 E CA 0.866 57.223 56.400 -0.071 0.000 0.818 57 E CB 0.220 29.881 29.700 -0.064 0.000 0.741 57 E HN 0.264 nan 8.360 nan 0.000 0.477 58 S N 0.099 115.765 115.700 -0.056 0.000 2.597 58 S HA 0.250 4.738 4.470 0.030 0.000 0.224 58 S C 0.312 174.890 174.600 -0.036 0.000 0.955 58 S CA -0.275 57.900 58.200 -0.042 0.000 0.933 58 S CB 0.553 63.734 63.200 -0.030 0.000 0.788 58 S HN 0.258 nan 8.310 nan 0.000 0.488 59 A N 1.692 124.477 122.820 -0.057 0.000 2.366 59 A HA 0.272 4.610 4.320 0.030 0.000 0.249 59 A C 0.437 178.004 177.584 -0.029 0.000 1.084 59 A CA -0.390 51.613 52.037 -0.057 0.000 0.794 59 A CB 0.128 19.065 19.000 -0.105 0.000 1.034 59 A HN 0.387 nan 8.150 nan 0.000 0.491 60 E N 1.320 121.522 120.200 0.003 0.000 2.900 60 E HA -0.148 4.220 4.350 0.030 0.000 0.259 60 E C 0.173 176.865 176.600 0.155 0.000 0.918 60 E CA 0.958 57.399 56.400 0.067 0.000 0.960 60 E CB -0.026 29.724 29.700 0.083 0.000 0.908 60 E HN 0.692 nan 8.360 nan 0.000 0.511 61 N N 0.810 119.610 118.700 0.167 0.000 2.927 61 N HA -0.277 4.481 4.740 0.030 0.000 0.220 61 N C 1.070 176.755 175.510 0.291 0.000 0.845 61 N CA 1.572 54.773 53.050 0.250 0.000 1.089 61 N CB -1.922 36.781 38.487 0.359 0.000 0.994 61 N HN 0.539 nan 8.380 nan 0.000 0.616 62 c N 1.123 119.836 118.600 0.188 0.000 2.403 62 c HA -0.168 4.419 4.570 0.030 0.000 0.282 62 c C 2.485 176.632 174.090 0.094 0.000 1.297 62 c CA 1.158 57.548 56.329 0.101 0.000 1.785 62 c CB -1.430 41.046 42.510 -0.056 0.000 1.963 62 c HN 0.628 nan 8.230 nan 0.000 0.507 63 D N 0.912 121.355 120.400 0.073 0.000 2.133 63 D HA -0.133 4.524 4.640 0.030 0.000 0.195 63 D C 1.029 177.373 176.300 0.074 0.000 0.997 63 D CA 1.244 55.274 54.000 0.049 0.000 0.840 63 D CB -0.198 40.627 40.800 0.043 0.000 0.947 63 D HN 0.485 nan 8.370 nan 0.000 0.452 64 K N 0.413 120.878 120.400 0.109 0.000 2.336 64 K HA 0.142 4.480 4.320 0.030 0.000 0.262 64 K C 0.455 177.132 176.600 0.129 0.000 0.992 64 K CA -0.015 56.340 56.287 0.112 0.000 0.927 64 K CB 0.840 33.406 32.500 0.111 0.000 0.956 64 K HN 0.227 nan 8.250 nan 0.000 0.495 65 S N 1.304 117.078 115.700 0.123 0.000 2.603 65 S HA 0.110 4.598 4.470 0.030 0.000 0.268 65 S C 1.344 176.039 174.600 0.158 0.000 1.317 65 S CA -0.670 57.616 58.200 0.144 0.000 1.012 65 S CB 0.579 63.868 63.200 0.147 0.000 0.926 65 S HN 0.571 nan 8.310 nan 0.000 0.539 66 L N 0.588 121.906 121.223 0.159 0.000 2.083 66 L HA -0.107 4.251 4.340 0.030 0.000 0.209 66 L C 2.501 179.409 176.870 0.063 0.000 1.083 66 L CA 1.539 56.443 54.840 0.106 0.000 0.752 66 L CB -0.678 41.411 42.059 0.050 0.000 0.899 66 L HN 0.814 nan 8.230 nan 0.000 0.433 67 H N -1.092 118.030 119.070 0.087 0.000 2.326 67 H HA -0.134 4.440 4.556 0.030 0.000 0.301 67 H C 2.326 177.724 175.328 0.117 0.000 1.081 67 H CA 1.988 58.098 56.048 0.103 0.000 1.334 67 H CB -0.214 29.603 29.762 0.093 0.000 1.385 67 H HN 0.192 nan 8.280 nan 0.000 0.504 68 T N 0.871 115.552 114.554 0.213 0.000 2.708 68 T HA -0.132 4.236 4.350 0.030 0.000 0.266 68 T C 2.199 176.945 174.700 0.077 0.000 1.037 68 T CA 1.222 63.402 62.100 0.133 0.000 1.146 68 T CB -0.348 68.583 68.868 0.106 0.000 0.865 68 T HN 0.167 nan 8.240 nan 0.000 0.435 69 L N -0.151 121.115 121.223 0.073 0.000 1.976 69 L HA -0.054 4.304 4.340 0.030 0.000 0.209 69 L C 2.353 179.225 176.870 0.004 0.000 1.071 69 L CA 1.560 56.404 54.840 0.008 0.000 0.746 69 L CB -0.683 41.388 42.059 0.019 0.000 0.890 69 L HN 0.181 nan 8.230 nan 0.000 0.432 70 F N 1.067 120.949 119.950 -0.113 0.000 2.154 70 F HA -0.186 4.359 4.527 0.030 0.000 0.301 70 F C 2.115 177.772 175.800 -0.239 0.000 1.087 70 F CA 1.486 59.359 58.000 -0.210 0.000 1.274 70 F CB -0.675 38.108 39.000 -0.363 0.000 1.009 70 F HN -0.011 nan 8.300 nan 0.000 0.485 71 G N -0.104 108.575 108.800 -0.202 0.000 2.464 71 G HA2 -0.254 3.723 3.960 0.030 0.000 0.214 71 G HA3 -0.254 3.723 3.960 0.030 0.000 0.214 71 G C 1.411 176.196 174.900 -0.192 0.000 1.218 71 G CA 0.894 45.852 45.100 -0.237 0.000 0.794 71 G HN 0.327 nan 8.290 nan 0.000 0.542 72 D N 0.635 120.984 120.400 -0.084 0.000 2.157 72 D HA -0.173 4.485 4.640 0.030 0.000 0.191 72 D C 2.218 178.449 176.300 -0.116 0.000 1.004 72 D CA 1.587 55.546 54.000 -0.068 0.000 0.854 72 D CB -0.206 40.559 40.800 -0.058 0.000 0.936 72 D HN 0.433 nan 8.370 nan 0.000 0.446 73 K N 0.114 120.418 120.400 -0.159 0.000 2.148 73 K HA -0.106 4.232 4.320 0.030 0.000 0.204 73 K C 2.101 178.597 176.600 -0.173 0.000 1.050 73 K CA 0.387 56.587 56.287 -0.146 0.000 0.942 73 K CB -0.192 32.254 32.500 -0.091 0.000 0.724 73 K HN -0.050 nan 8.250 nan 0.000 0.446 74 L N 0.896 121.923 121.223 -0.327 0.000 2.046 74 L HA -0.159 4.199 4.340 0.030 0.000 0.208 74 L C 1.715 178.474 176.870 -0.185 0.000 1.077 74 L CA 1.568 56.178 54.840 -0.384 0.000 0.747 74 L CB -0.562 40.927 42.059 -0.950 0.000 0.896 74 L HN 0.319 nan 8.230 nan 0.000 0.432 75 c N -1.249 117.284 118.600 -0.111 0.000 2.511 75 c HA -0.030 4.558 4.570 0.030 0.000 0.277 75 c C 2.486 176.568 174.090 -0.014 0.000 1.451 75 c CA 0.889 57.222 56.329 0.007 0.000 1.735 75 c CB -1.601 40.943 42.510 0.058 0.000 1.704 75 c HN 0.559 nan 8.230 nan 0.000 0.571 76 T N 0.365 114.887 114.554 -0.053 0.000 2.809 76 T HA -0.033 4.334 4.350 0.030 0.000 0.260 76 T C 0.933 175.608 174.700 -0.042 0.000 1.039 76 T CA 0.612 62.680 62.100 -0.054 0.000 1.141 76 T CB -0.109 68.709 68.868 -0.084 0.000 0.869 76 T HN 0.220 nan 8.240 nan 0.000 0.437 77 V N 2.593 122.480 119.914 -0.045 0.000 2.703 77 V HA -0.082 4.056 4.120 0.030 0.000 0.300 77 V C 1.557 177.655 176.094 0.008 0.000 1.063 77 V CA 0.371 62.659 62.300 -0.020 0.000 1.240 77 V CB -0.095 31.745 31.823 0.028 0.000 0.845 77 V HN 0.530 nan 8.190 nan 0.000 0.476 78 A N 4.915 127.728 122.820 -0.012 0.000 1.968 78 A HA -0.075 4.263 4.320 0.030 0.000 0.217 78 A C 2.068 179.650 177.584 -0.003 0.000 1.169 78 A CA 1.538 53.569 52.037 -0.010 0.000 0.638 78 A CB -0.405 18.580 19.000 -0.025 0.000 0.812 78 A HN 0.985 nan 8.150 nan 0.000 0.446 79 T N -2.282 112.267 114.554 -0.007 0.000 3.252 79 T HA 0.149 4.517 4.350 0.030 0.000 0.250 79 T C 1.400 176.093 174.700 -0.011 0.000 1.123 79 T CA 0.547 62.627 62.100 -0.032 0.000 1.006 79 T CB -0.300 68.522 68.868 -0.076 0.000 0.992 79 T HN 0.085 nan 8.240 nan 0.000 0.547 80 L N 2.266 123.543 121.223 0.090 0.000 1.963 80 L HA -0.107 4.251 4.340 0.030 0.000 0.220 80 L C 2.807 179.768 176.870 0.151 0.000 1.076 80 L CA 2.132 57.112 54.840 0.232 0.000 0.772 80 L CB -0.657 41.516 42.059 0.190 0.000 0.892 80 L HN 0.331 nan 8.230 nan 0.000 0.435 81 R N -0.853 119.690 120.500 0.071 0.000 2.120 81 R HA -0.193 4.165 4.340 0.030 0.000 0.234 81 R C 2.264 178.561 176.300 -0.006 0.000 1.123 81 R CA 1.691 57.813 56.100 0.036 0.000 0.975 81 R CB -0.324 29.986 30.300 0.017 0.000 0.866 81 R HN 0.645 nan 8.270 nan 0.000 0.446 82 E N -0.615 119.563 120.200 -0.037 0.000 2.046 82 E HA -0.108 4.260 4.350 0.030 0.000 0.190 82 E C 1.147 177.671 176.600 -0.127 0.000 0.982 82 E CA 1.653 58.013 56.400 -0.067 0.000 0.800 82 E CB 0.120 29.780 29.700 -0.067 0.000 0.756 82 E HN 0.349 nan 8.360 nan 0.000 0.449 83 T N -0.484 113.926 114.554 -0.240 0.000 2.937 83 T HA -0.062 4.306 4.350 0.030 0.000 0.260 83 T C 0.783 175.161 174.700 -0.536 0.000 1.051 83 T CA 0.984 62.802 62.100 -0.470 0.000 1.141 83 T CB -0.140 68.243 68.868 -0.808 0.000 0.879 83 T HN 0.255 nan 8.240 nan 0.000 0.459 84 Y N 0.486 120.803 120.300 0.028 0.000 2.481 84 Y HA 0.452 5.020 4.550 0.030 0.000 0.247 84 Y C 1.962 177.863 175.900 0.001 0.000 1.151 84 Y CA -0.682 57.438 58.100 0.033 0.000 1.238 84 Y CB -0.480 38.017 38.460 0.063 0.000 1.179 84 Y HN 0.285 nan 8.280 nan 0.000 0.524 85 G N 1.369 110.211 108.800 0.070 0.000 2.704 85 G HA2 -0.557 3.421 3.960 0.030 0.000 0.344 85 G HA3 -0.557 3.421 3.960 0.030 0.000 0.344 85 G C 1.439 176.343 174.900 0.007 0.000 1.200 85 G CA 1.369 46.486 45.100 0.029 0.000 0.962 85 G HN 0.416 nan 8.290 nan 0.000 0.552 86 E N 0.012 120.191 120.200 -0.036 0.000 2.114 86 E HA -0.230 4.138 4.350 0.030 0.000 0.199 86 E C 2.583 179.030 176.600 -0.254 0.000 1.008 86 E CA 1.998 58.321 56.400 -0.129 0.000 0.810 86 E CB -0.247 29.366 29.700 -0.145 0.000 0.739 86 E HN 0.579 nan 8.360 nan 0.000 0.456 87 M N -0.009 119.426 119.600 -0.276 0.000 2.267 87 M HA -0.175 4.323 4.480 0.030 0.000 0.263 87 M C 1.992 178.254 176.300 -0.064 0.000 1.063 87 M CA 1.622 56.769 55.300 -0.254 0.000 1.090 87 M CB -0.070 32.533 32.600 0.005 0.000 1.392 87 M HN 0.241 nan 8.290 nan 0.000 0.422 88 A N -0.093 122.731 122.820 0.007 0.000 2.121 88 A HA -0.155 4.183 4.320 0.030 0.000 0.218 88 A C 1.597 179.171 177.584 -0.017 0.000 1.154 88 A CA 1.603 53.666 52.037 0.043 0.000 0.679 88 A CB -0.645 18.389 19.000 0.058 0.000 0.795 88 A HN 0.560 nan 8.150 nan 0.000 0.458 89 D N -0.507 119.851 120.400 -0.069 0.000 2.224 89 D HA -0.092 4.566 4.640 0.030 0.000 0.205 89 D C 1.754 177.992 176.300 -0.103 0.000 0.965 89 D CA 1.000 54.958 54.000 -0.070 0.000 0.852 89 D CB -0.231 40.528 40.800 -0.068 0.000 0.947 89 D HN 0.470 nan 8.370 nan 0.000 0.494 90 c N 0.480 118.965 118.600 -0.192 0.000 2.410 90 c HA -0.140 4.448 4.570 0.030 0.000 0.281 90 c C 2.867 176.803 174.090 -0.256 0.000 1.318 90 c CA 0.031 56.156 56.329 -0.341 0.000 1.776 90 c CB -1.103 40.903 42.510 -0.840 0.000 1.942 90 c HN 0.456 nan 8.230 nan 0.000 0.508 91 c N 0.954 119.488 118.600 -0.110 0.000 2.430 91 c HA 0.010 4.598 4.570 0.030 0.000 0.288 91 c C 2.836 176.924 174.090 -0.004 0.000 1.448 91 c CA 1.051 57.385 56.329 0.009 0.000 1.784 91 c CB -1.738 40.812 42.510 0.066 0.000 1.776 91 c HN 0.737 nan 8.230 nan 0.000 0.547 92 A N 0.142 122.944 122.820 -0.030 0.000 1.984 92 A HA 0.050 4.387 4.320 0.030 0.000 0.214 92 A C 1.058 178.631 177.584 -0.018 0.000 1.173 92 A CA 0.438 52.465 52.037 -0.017 0.000 0.673 92 A CB -0.137 18.852 19.000 -0.018 0.000 0.830 92 A HN 0.629 nan 8.150 nan 0.000 0.453 93 K N 0.747 121.125 120.400 -0.037 0.000 2.414 93 K HA 0.192 4.530 4.320 0.030 0.000 0.272 93 K C -0.041 176.554 176.600 -0.008 0.000 0.993 93 K CA -0.155 56.114 56.287 -0.029 0.000 0.964 93 K CB 0.306 32.775 32.500 -0.052 0.000 0.925 93 K HN 0.251 nan 8.250 nan 0.000 0.487 94 Q N 1.647 121.449 119.800 0.004 0.000 2.394 94 Q HA 0.014 4.372 4.340 0.030 0.000 0.248 94 Q C -0.883 175.135 176.000 0.030 0.000 0.992 94 Q CA 0.090 55.904 55.803 0.018 0.000 0.888 94 Q CB 0.894 29.641 28.738 0.015 0.000 1.257 94 Q HN 0.322 nan 8.270 nan 0.000 0.462 95 E N 3.249 123.478 120.200 0.048 0.000 2.129 95 E HA 0.259 4.627 4.350 0.030 0.000 0.283 95 E C -2.114 174.514 176.600 0.047 0.000 1.080 95 E CA -1.057 55.384 56.400 0.069 0.000 0.867 95 E CB 0.563 30.322 29.700 0.098 0.000 1.056 95 E HN 0.571 nan 8.360 nan 0.000 0.404 96 P HA -0.068 nan 4.420 nan 0.000 0.535 96 P C 0.403 177.725 177.300 0.037 0.000 0.513 96 P CA 0.080 63.190 63.100 0.016 0.000 2.509 96 P CB -0.325 31.374 31.700 -0.001 0.000 1.141 97 E N 0.678 120.894 120.200 0.026 0.000 2.072 97 E HA -0.029 4.339 4.350 0.030 0.000 0.191 97 E C 2.217 178.821 176.600 0.006 0.000 0.985 97 E CA 1.575 57.985 56.400 0.018 0.000 0.801 97 E CB -0.210 29.492 29.700 0.002 0.000 0.750 97 E HN 0.232 nan 8.360 nan 0.000 0.452 98 R N 0.866 121.368 120.500 0.005 0.000 2.094 98 R HA -0.259 4.099 4.340 0.030 0.000 0.239 98 R C 2.165 178.473 176.300 0.014 0.000 1.137 98 R CA 2.079 58.145 56.100 -0.056 0.000 0.943 98 R CB -0.304 30.024 30.300 0.046 0.000 0.850 98 R HN 0.124 nan 8.270 nan 0.000 0.433 99 N N 0.201 119.044 118.700 0.239 0.000 2.043 99 N HA -0.247 4.511 4.740 0.030 0.000 0.193 99 N C 1.684 177.385 175.510 0.318 0.000 1.037 99 N CA 1.951 55.251 53.050 0.418 0.000 0.851 99 N CB -0.226 38.492 38.487 0.385 0.000 1.027 99 N HN 0.239 nan 8.380 nan 0.000 0.422 100 E N 0.066 120.384 120.200 0.196 0.000 2.097 100 E HA -0.202 4.166 4.350 0.030 0.000 0.196 100 E C 2.066 178.735 176.600 0.114 0.000 1.000 100 E CA 1.265 57.771 56.400 0.176 0.000 0.804 100 E CB -0.986 28.787 29.700 0.122 0.000 0.740 100 E HN 0.513 nan 8.360 nan 0.000 0.454 101 c N -0.554 118.065 118.600 0.031 0.000 2.425 101 c HA -0.083 4.504 4.570 0.030 0.000 0.277 101 c C 2.342 176.469 174.090 0.063 0.000 1.280 101 c CA 0.699 57.012 56.329 -0.027 0.000 1.744 101 c CB -1.548 40.870 42.510 -0.154 0.000 1.989 101 c HN 0.492 nan 8.230 nan 0.000 0.491 102 F N 0.569 120.647 119.950 0.214 0.000 2.186 102 F HA 0.027 4.572 4.527 0.030 0.000 0.299 102 F C 1.985 177.965 175.800 0.299 0.000 1.090 102 F CA 1.113 59.276 58.000 0.272 0.000 1.307 102 F CB -0.808 38.306 39.000 0.190 0.000 1.019 102 F HN 0.104 nan 8.300 nan 0.000 0.489 103 L N -0.295 121.167 121.223 0.399 0.000 2.201 103 L HA -0.147 4.211 4.340 0.030 0.000 0.212 103 L C 2.115 179.029 176.870 0.073 0.000 1.105 103 L CA 1.501 56.478 54.840 0.227 0.000 0.775 103 L CB -1.238 40.915 42.059 0.157 0.000 0.913 103 L HN 0.233 nan 8.230 nan 0.000 0.440 104 Q N -1.476 118.295 119.800 -0.049 0.000 2.378 104 Q HA -0.061 4.297 4.340 0.030 0.000 0.205 104 Q C 1.029 176.815 176.000 -0.358 0.000 0.954 104 Q CA 0.744 56.397 55.803 -0.250 0.000 0.901 104 Q CB 0.062 28.548 28.738 -0.420 0.000 0.981 104 Q HN 0.622 nan 8.270 nan 0.000 0.483 105 H N -0.212 118.933 119.070 0.125 0.000 2.652 105 H HA 0.166 4.740 4.556 0.030 0.000 0.274 105 H C 0.180 175.578 175.328 0.117 0.000 1.021 105 H CA 0.018 56.138 56.048 0.121 0.000 1.187 105 H CB 0.454 30.296 29.762 0.132 0.000 1.505 105 H HN 0.022 nan 8.280 nan 0.000 0.530 106 K N 2.770 123.262 120.400 0.153 0.000 2.081 106 K HA -0.031 4.307 4.320 0.030 0.000 0.230 106 K C -0.576 176.061 176.600 0.062 0.000 1.199 106 K CA -0.242 56.056 56.287 0.017 0.000 1.130 106 K CB -0.389 31.968 32.500 -0.237 0.000 1.386 106 K HN 0.044 nan 8.250 nan 0.000 0.280 107 D N 2.583 123.040 120.400 0.096 0.000 2.661 107 D HA -0.154 4.504 4.640 0.030 0.000 0.244 107 D C 0.734 177.091 176.300 0.096 0.000 1.196 107 D CA 0.674 54.735 54.000 0.101 0.000 0.881 107 D CB 0.561 41.420 40.800 0.099 0.000 1.141 107 D HN 0.538 nan 8.370 nan 0.000 0.530 108 D N 2.962 123.450 120.400 0.146 0.000 2.149 108 D HA -0.206 4.451 4.640 0.030 0.000 0.198 108 D C 0.123 176.465 176.300 0.069 0.000 0.990 108 D CA 0.932 55.040 54.000 0.179 0.000 0.839 108 D CB 0.150 41.025 40.800 0.125 0.000 0.948 108 D HN 0.409 nan 8.370 nan 0.000 0.460 109 N N -0.207 118.513 118.700 0.034 0.000 2.664 109 N HA 0.256 5.014 4.740 0.030 0.000 0.257 109 N C -2.796 172.716 175.510 0.003 0.000 1.108 109 N CA -1.725 51.322 53.050 -0.005 0.000 0.822 109 N CB 1.436 39.916 38.487 -0.013 0.000 1.199 109 N HN -0.127 nan 8.380 nan 0.000 0.529 110 P HA 0.180 nan 4.420 nan 0.000 0.274 110 P C -0.689 176.612 177.300 0.002 0.000 1.246 110 P CA -0.210 62.900 63.100 0.016 0.000 0.795 110 P CB 1.119 32.832 31.700 0.022 0.000 1.006 111 N N 0.126 118.834 118.700 0.014 0.000 2.466 111 N HA 0.160 4.918 4.740 0.030 0.000 0.251 111 N C -0.067 175.445 175.510 0.003 0.000 1.164 111 N CA -0.325 52.728 53.050 0.006 0.000 0.888 111 N CB -0.410 38.084 38.487 0.012 0.000 1.177 111 N HN 0.253 nan 8.380 nan 0.000 0.498 112 L N 1.196 122.416 121.223 -0.005 0.000 2.417 112 L HA 0.284 4.642 4.340 0.030 0.000 0.268 112 L C -1.582 175.280 176.870 -0.014 0.000 1.158 112 L CA -1.694 53.141 54.840 -0.009 0.000 0.819 112 L CB -0.066 41.979 42.059 -0.023 0.000 1.112 112 L HN 0.011 nan 8.230 nan 0.000 0.458 113 P HA 0.047 nan 4.420 nan 0.000 0.269 113 P C -1.147 176.148 177.300 -0.008 0.000 1.217 113 P CA -0.467 62.630 63.100 -0.004 0.000 0.783 113 P CB 0.300 32.001 31.700 0.002 0.000 0.898 114 R N 1.417 121.915 120.500 -0.003 0.000 2.370 114 R HA 0.308 4.666 4.340 0.030 0.000 0.309 114 R C -0.410 175.893 176.300 0.005 0.000 1.059 114 R CA -0.651 55.448 56.100 -0.001 0.000 0.981 114 R CB -0.321 29.981 30.300 0.003 0.000 0.972 114 R HN 0.231 nan 8.270 nan 0.000 0.437 115 L N 5.038 126.263 121.223 0.003 0.000 2.534 115 L HA 0.048 4.406 4.340 0.030 0.000 0.271 115 L C -0.074 176.810 176.870 0.023 0.000 1.178 115 L CA 0.172 55.022 54.840 0.017 0.000 0.907 115 L CB 0.938 43.000 42.059 0.005 0.000 1.164 115 L HN 0.665 nan 8.230 nan 0.000 0.482 116 V N 3.454 123.394 119.914 0.044 0.000 2.863 116 V HA 0.553 4.691 4.120 0.030 0.000 0.307 116 V C 0.261 176.388 176.094 0.056 0.000 1.061 116 V CA -0.995 61.331 62.300 0.043 0.000 1.024 116 V CB 1.352 33.202 31.823 0.046 0.000 1.049 116 V HN 0.816 nan 8.190 nan 0.000 0.471 117 R N 3.898 124.425 120.500 0.044 0.000 2.204 117 R HA 0.455 4.813 4.340 0.030 0.000 0.341 117 R C -2.304 174.044 176.300 0.080 0.000 1.035 117 R CA -1.659 54.471 56.100 0.050 0.000 0.887 117 R CB 1.063 31.383 30.300 0.033 0.000 1.114 117 R HN 0.817 nan 8.270 nan 0.000 0.473 118 P HA 0.060 nan 4.420 nan 0.000 0.273 118 P C -0.793 176.575 177.300 0.114 0.000 1.250 118 P CA -0.313 62.861 63.100 0.123 0.000 0.793 118 P CB 0.688 32.490 31.700 0.172 0.000 1.011 119 E N 0.206 120.462 120.200 0.094 0.000 2.413 119 E HA -0.000 4.368 4.350 0.030 0.000 0.263 119 E C 1.566 178.226 176.600 0.100 0.000 1.015 119 E CA -0.216 56.232 56.400 0.081 0.000 0.916 119 E CB 0.196 29.933 29.700 0.061 0.000 0.947 119 E HN 0.102 nan 8.360 nan 0.000 0.440 120 V N 2.593 122.559 119.914 0.087 0.000 2.313 120 V HA -0.324 3.814 4.120 0.030 0.000 0.253 120 V C 1.537 177.689 176.094 0.097 0.000 1.070 120 V CA 2.240 64.599 62.300 0.099 0.000 1.057 120 V CB -0.361 31.495 31.823 0.056 0.000 0.653 120 V HN 0.549 nan 8.190 nan 0.000 0.450 121 D N -0.116 120.326 120.400 0.070 0.000 2.117 121 D HA -0.122 4.535 4.640 0.030 0.000 0.197 121 D C 2.172 178.512 176.300 0.065 0.000 0.987 121 D CA 1.739 55.774 54.000 0.058 0.000 0.829 121 D CB -0.300 40.524 40.800 0.041 0.000 0.961 121 D HN 0.520 nan 8.370 nan 0.000 0.460 122 V N -1.288 118.673 119.914 0.079 0.000 2.379 122 V HA -0.188 3.950 4.120 0.030 0.000 0.245 122 V C 2.280 178.431 176.094 0.094 0.000 1.044 122 V CA 1.043 63.394 62.300 0.084 0.000 1.036 122 V CB -0.740 31.141 31.823 0.096 0.000 0.664 122 V HN 0.058 nan 8.190 nan 0.000 0.453 123 M N 0.078 119.764 119.600 0.144 0.000 2.065 123 M HA -0.187 4.310 4.480 0.030 0.000 0.259 123 M C 2.524 178.767 176.300 -0.096 0.000 1.069 123 M CA 2.448 57.840 55.300 0.154 0.000 1.110 123 M CB -1.126 31.685 32.600 0.352 0.000 1.328 123 M HN 0.504 nan 8.290 nan 0.000 0.405 124 c N 0.376 119.012 118.600 0.060 0.000 2.413 124 c HA -0.142 4.446 4.570 0.030 0.000 0.276 124 c C 2.983 177.111 174.090 0.064 0.000 1.248 124 c CA 1.500 57.885 56.329 0.094 0.000 1.742 124 c CB -1.090 41.492 42.510 0.120 0.000 2.017 124 c HN 0.588 nan 8.230 nan 0.000 0.481 125 T N 0.647 115.218 114.554 0.028 0.000 2.821 125 T HA -0.062 4.306 4.350 0.030 0.000 0.267 125 T C 2.049 176.740 174.700 -0.015 0.000 1.046 125 T CA 1.478 63.603 62.100 0.041 0.000 1.139 125 T CB -0.308 68.586 68.868 0.043 0.000 0.871 125 T HN 0.633 nan 8.240 nan 0.000 0.454 126 A N 0.782 123.538 122.820 -0.106 0.000 1.969 126 A HA 0.040 4.378 4.320 0.030 0.000 0.218 126 A C 1.939 179.271 177.584 -0.421 0.000 1.169 126 A CA 0.960 52.908 52.037 -0.149 0.000 0.635 126 A CB -0.801 18.213 19.000 0.023 0.000 0.810 126 A HN 0.474 nan 8.150 nan 0.000 0.445 127 F N 0.447 119.827 119.950 -0.949 0.000 2.075 127 F HA -0.151 4.394 4.527 0.030 0.000 0.297 127 F C 2.177 177.794 175.800 -0.305 0.000 1.113 127 F CA 2.216 59.634 58.000 -0.969 0.000 1.218 127 F CB -0.806 37.677 39.000 -0.862 0.000 0.984 127 F HN 0.483 nan 8.300 nan 0.000 0.472 128 H N 0.143 119.003 119.070 -0.350 0.000 2.253 128 H HA -0.136 4.438 4.556 0.030 0.000 0.299 128 H C 2.095 177.282 175.328 -0.234 0.000 1.064 128 H CA 2.425 58.294 56.048 -0.299 0.000 1.264 128 H CB -0.906 28.794 29.762 -0.102 0.000 1.371 128 H HN 0.166 nan 8.280 nan 0.000 0.493 129 D N -0.142 120.122 120.400 -0.227 0.000 2.218 129 D HA -0.226 4.432 4.640 0.030 0.000 0.194 129 D C 0.260 176.433 176.300 -0.212 0.000 1.007 129 D CA 1.910 55.773 54.000 -0.228 0.000 0.879 129 D CB -0.201 40.557 40.800 -0.070 0.000 0.918 129 D HN 0.575 nan 8.370 nan 0.000 0.449 130 N N -0.517 118.075 118.700 -0.180 0.000 2.946 130 N HA -0.028 4.730 4.740 0.030 0.000 0.213 130 N C 0.343 175.806 175.510 -0.078 0.000 1.440 130 N CA -0.092 52.892 53.050 -0.111 0.000 0.745 130 N CB 0.485 38.955 38.487 -0.028 0.000 1.471 130 N HN -0.162 nan 8.380 nan 0.000 0.569 131 E N 0.704 120.780 120.200 -0.206 0.000 2.171 131 E HA -0.274 4.094 4.350 0.030 0.000 0.197 131 E C 1.228 177.859 176.600 0.051 0.000 0.997 131 E CA 1.412 57.687 56.400 -0.207 0.000 0.810 131 E CB 0.357 29.794 29.700 -0.439 0.000 0.738 131 E HN 0.599 nan 8.360 nan 0.000 0.467 132 E N 0.103 120.324 120.200 0.036 0.000 2.001 132 E HA -0.155 4.213 4.350 0.030 0.000 0.193 132 E C 2.093 178.772 176.600 0.131 0.000 0.994 132 E CA 2.500 58.951 56.400 0.086 0.000 0.815 132 E CB -0.685 29.050 29.700 0.059 0.000 0.770 132 E HN 0.266 nan 8.360 nan 0.000 0.453 133 T N -1.462 113.172 114.554 0.133 0.000 3.007 133 T HA -0.132 4.236 4.350 0.030 0.000 0.270 133 T C 1.807 176.544 174.700 0.061 0.000 1.107 133 T CA 1.016 63.216 62.100 0.167 0.000 1.118 133 T CB -0.602 68.387 68.868 0.203 0.000 0.889 133 T HN 0.237 nan 8.240 nan 0.000 0.506 134 F N 1.571 121.502 119.950 -0.032 0.000 2.084 134 F HA 0.180 4.725 4.527 0.030 0.000 0.296 134 F C 1.901 177.698 175.800 -0.006 0.000 1.111 134 F CA 1.033 59.004 58.000 -0.049 0.000 1.224 134 F CB -0.356 38.646 39.000 0.004 0.000 0.991 134 F HN 0.120 nan 8.300 nan 0.000 0.471 135 L N 0.043 121.299 121.223 0.055 0.000 2.044 135 L HA -0.153 4.204 4.340 0.030 0.000 0.205 135 L C 2.410 179.260 176.870 -0.034 0.000 1.075 135 L CA 1.351 56.185 54.840 -0.011 0.000 0.747 135 L CB -0.659 41.499 42.059 0.165 0.000 0.903 135 L HN 0.017 nan 8.230 nan 0.000 0.435 136 K N 0.090 120.515 120.400 0.041 0.000 2.280 136 K HA -0.205 4.133 4.320 0.030 0.000 0.202 136 K C 2.047 178.643 176.600 -0.006 0.000 1.047 136 K CA 0.947 57.299 56.287 0.109 0.000 0.942 136 K CB -0.012 32.627 32.500 0.232 0.000 0.739 136 K HN 0.171 nan 8.250 nan 0.000 0.457 137 K N -0.173 119.970 120.400 -0.427 0.000 2.228 137 K HA -0.100 4.238 4.320 0.030 0.000 0.202 137 K C 1.313 177.580 176.600 -0.555 0.000 1.051 137 K CA 0.992 56.608 56.287 -1.119 0.000 0.960 137 K CB 0.142 31.817 32.500 -1.375 0.000 0.743 137 K HN 0.067 nan 8.250 nan 0.000 0.458 138 Y N 0.056 120.117 120.300 -0.399 0.000 2.397 138 Y HA -0.026 4.542 4.550 0.030 0.000 0.292 138 Y C 1.748 177.496 175.900 -0.255 0.000 1.115 138 Y CA 0.154 58.037 58.100 -0.362 0.000 1.208 138 Y CB -0.054 38.103 38.460 -0.505 0.000 1.046 138 Y HN -0.017 nan 8.280 nan 0.000 0.552 139 L N -0.601 120.611 121.223 -0.018 0.000 2.043 139 L HA -0.275 4.083 4.340 0.030 0.000 0.212 139 L C 2.339 179.224 176.870 0.026 0.000 1.075 139 L CA 1.875 56.711 54.840 -0.005 0.000 0.752 139 L CB -0.994 41.096 42.059 0.052 0.000 0.891 139 L HN 0.386 nan 8.230 nan 0.000 0.432 140 Y N -0.151 120.123 120.300 -0.043 0.000 2.200 140 Y HA -0.185 4.383 4.550 0.030 0.000 0.290 140 Y C 2.324 178.210 175.900 -0.024 0.000 1.137 140 Y CA 1.691 59.790 58.100 -0.001 0.000 1.163 140 Y CB -0.223 38.316 38.460 0.132 0.000 0.988 140 Y HN 0.221 nan 8.280 nan 0.000 0.518 141 E N 0.500 120.511 120.200 -0.315 0.000 2.077 141 E HA -0.167 4.201 4.350 0.030 0.000 0.193 141 E C 2.205 178.668 176.600 -0.227 0.000 0.989 141 E CA 1.411 57.600 56.400 -0.351 0.000 0.800 141 E CB -0.197 29.437 29.700 -0.110 0.000 0.746 141 E HN 0.507 nan 8.360 nan 0.000 0.452 142 I N 0.807 121.271 120.570 -0.176 0.000 2.235 142 I HA -0.108 4.080 4.170 0.030 0.000 0.241 142 I C 2.494 178.542 176.117 -0.115 0.000 1.085 142 I CA 0.943 62.137 61.300 -0.177 0.000 1.378 142 I CB -1.774 36.031 38.000 -0.325 0.000 1.076 142 I HN -0.076 nan 8.210 nan 0.000 0.415 143 A N 2.263 125.002 122.820 -0.135 0.000 1.927 143 A HA -0.260 4.078 4.320 0.030 0.000 0.220 143 A C 2.430 179.978 177.584 -0.061 0.000 1.185 143 A CA 2.491 54.481 52.037 -0.078 0.000 0.639 143 A CB -0.825 18.150 19.000 -0.043 0.000 0.820 143 A HN 0.592 nan 8.150 nan 0.000 0.451 144 R N -0.879 119.547 120.500 -0.123 0.000 2.148 144 R HA 0.004 4.362 4.340 0.030 0.000 0.223 144 R C 1.820 178.077 176.300 -0.073 0.000 1.088 144 R CA 1.275 57.313 56.100 -0.103 0.000 0.985 144 R CB -0.325 29.870 30.300 -0.174 0.000 0.880 144 R HN 0.479 nan 8.270 nan 0.000 0.451 145 R N -0.083 120.384 120.500 -0.054 0.000 2.240 145 R HA 0.052 4.410 4.340 0.030 0.000 0.203 145 R C -0.121 176.037 176.300 -0.237 0.000 1.011 145 R CA 0.614 56.657 56.100 -0.095 0.000 1.007 145 R CB 0.160 30.427 30.300 -0.057 0.000 0.911 145 R HN 0.375 nan 8.270 nan 0.000 0.468 146 H N -0.344 118.682 119.070 -0.073 0.000 2.380 146 H HA 0.161 4.734 4.556 0.030 0.000 0.231 146 H C -1.914 173.416 175.328 0.004 0.000 1.415 146 H CA -2.024 54.024 56.048 -0.001 0.000 1.433 146 H CB 0.925 30.669 29.762 -0.030 0.000 1.544 146 H HN -0.043 nan 8.280 nan 0.000 0.503 147 P HA -0.215 nan 4.420 nan 0.000 0.220 147 P C 0.347 177.418 177.300 -0.382 0.000 1.144 147 P CA 1.393 64.357 63.100 -0.226 0.000 0.800 147 P CB 0.254 31.755 31.700 -0.331 0.000 0.772 148 Y N -2.721 117.620 120.300 0.067 0.000 2.458 148 Y HA 0.264 4.832 4.550 0.030 0.000 0.256 148 Y C 1.014 177.003 175.900 0.147 0.000 1.159 148 Y CA -0.766 57.375 58.100 0.068 0.000 1.261 148 Y CB -0.423 38.058 38.460 0.035 0.000 1.119 148 Y HN -0.215 nan 8.280 nan 0.000 0.524 149 F N 1.353 121.387 119.950 0.141 0.000 2.533 149 F HA 0.005 4.550 4.527 0.030 0.000 0.378 149 F C 0.410 176.296 175.800 0.142 0.000 1.070 149 F CA -1.016 57.067 58.000 0.139 0.000 1.172 149 F CB -0.126 38.916 39.000 0.070 0.000 1.085 149 F HN 0.050 nan 8.300 nan 0.000 0.552 150 Y N 6.576 126.798 120.300 -0.130 0.000 2.804 150 Y HA 0.094 4.662 4.550 0.030 0.000 0.338 150 Y C 1.072 177.016 175.900 0.074 0.000 1.252 150 Y CA -0.106 57.965 58.100 -0.049 0.000 1.576 150 Y CB 0.305 38.700 38.460 -0.108 0.000 1.223 150 Y HN 0.773 nan 8.280 nan 0.000 0.536 151 A N 7.712 130.389 122.820 -0.239 0.000 1.869 151 A HA -0.193 4.145 4.320 0.030 0.000 0.218 151 A C -0.232 177.208 177.584 -0.241 0.000 1.203 151 A CA 1.953 53.877 52.037 -0.189 0.000 0.638 151 A CB -1.899 16.974 19.000 -0.211 0.000 0.831 151 A HN 0.721 nan 8.150 nan 0.000 0.450 152 P HA -0.196 nan 4.420 nan 0.000 0.217 152 P C 1.463 178.726 177.300 -0.062 0.000 1.151 152 P CA 1.532 64.442 63.100 -0.318 0.000 0.849 152 P CB -0.026 31.393 31.700 -0.468 0.000 0.787 153 E N -0.790 119.404 120.200 -0.010 0.000 2.047 153 E HA -0.144 4.224 4.350 0.030 0.000 0.191 153 E C 1.848 178.777 176.600 0.548 0.000 0.987 153 E CA 0.891 57.438 56.400 0.245 0.000 0.799 153 E CB -0.869 28.979 29.700 0.247 0.000 0.752 153 E HN 0.114 nan 8.360 nan 0.000 0.449 154 L N 1.035 122.592 121.223 0.557 0.000 2.131 154 L HA -0.133 4.224 4.340 0.030 0.000 0.210 154 L C 2.243 179.292 176.870 0.298 0.000 1.092 154 L CA 1.121 56.248 54.840 0.478 0.000 0.759 154 L CB -0.623 41.609 42.059 0.288 0.000 0.903 154 L HN 0.121 nan 8.230 nan 0.000 0.435 155 L N -1.254 120.099 121.223 0.217 0.000 2.027 155 L HA -0.145 4.213 4.340 0.030 0.000 0.206 155 L C 2.337 179.324 176.870 0.196 0.000 1.074 155 L CA 1.794 56.728 54.840 0.157 0.000 0.745 155 L CB -1.091 41.023 42.059 0.091 0.000 0.898 155 L HN 0.345 nan 8.230 nan 0.000 0.433 156 F N -0.422 119.557 119.950 0.049 0.000 2.120 156 F HA -0.292 4.253 4.527 0.030 0.000 0.300 156 F C 2.011 177.805 175.800 -0.010 0.000 1.095 156 F CA 1.685 59.655 58.000 -0.050 0.000 1.249 156 F CB -0.535 38.307 39.000 -0.262 0.000 0.995 156 F HN 0.107 nan 8.300 nan 0.000 0.480 157 F N 0.170 120.181 119.950 0.102 0.000 2.365 157 F HA -0.067 4.478 4.527 0.029 0.000 0.300 157 F C 2.393 178.255 175.800 0.103 0.000 1.090 157 F CA 0.957 58.990 58.000 0.054 0.000 1.408 157 F CB -0.907 38.209 39.000 0.193 0.000 1.060 157 F HN 0.103 nan 8.300 nan 0.000 0.534 158 A N 0.138 123.108 122.820 0.250 0.000 1.854 158 A HA -0.126 4.212 4.320 0.030 0.000 0.214 158 A C 2.320 179.999 177.584 0.158 0.000 1.192 158 A CA 1.067 53.238 52.037 0.224 0.000 0.611 158 A CB -0.376 18.712 19.000 0.148 0.000 0.832 158 A HN 0.127 nan 8.150 nan 0.000 0.442 159 K N 0.187 120.604 120.400 0.029 0.000 2.113 159 K HA -0.190 4.147 4.320 0.030 0.000 0.208 159 K C 1.985 178.544 176.600 -0.068 0.000 1.047 159 K CA 1.637 57.912 56.287 -0.019 0.000 0.928 159 K CB -0.353 32.087 32.500 -0.100 0.000 0.716 159 K HN 0.512 nan 8.250 nan 0.000 0.446 160 R N -0.425 119.954 120.500 -0.202 0.000 2.090 160 R HA -0.076 4.282 4.340 0.030 0.000 0.228 160 R C 2.279 178.492 176.300 -0.145 0.000 1.110 160 R CA 1.010 56.957 56.100 -0.254 0.000 0.973 160 R CB -0.341 29.696 30.300 -0.439 0.000 0.869 160 R HN 0.184 nan 8.270 nan 0.000 0.440 161 Y N 1.496 121.801 120.300 0.009 0.000 2.242 161 Y HA -0.165 4.403 4.550 0.030 0.000 0.291 161 Y C 2.506 178.551 175.900 0.242 0.000 1.137 161 Y CA 1.322 59.487 58.100 0.109 0.000 1.181 161 Y CB -0.080 38.478 38.460 0.162 0.000 0.989 161 Y HN -0.047 nan 8.280 nan 0.000 0.527 162 K N 0.182 120.805 120.400 0.372 0.000 1.985 162 K HA -0.211 4.127 4.320 0.030 0.000 0.210 162 K C 2.298 179.049 176.600 0.251 0.000 1.047 162 K CA 1.356 57.876 56.287 0.388 0.000 0.932 162 K CB -0.415 32.272 32.500 0.312 0.000 0.716 162 K HN 0.232 nan 8.250 nan 0.000 0.439 163 A N 1.032 123.924 122.820 0.120 0.000 1.986 163 A HA -0.185 4.153 4.320 0.030 0.000 0.220 163 A C 2.265 179.828 177.584 -0.036 0.000 1.171 163 A CA 2.097 54.160 52.037 0.043 0.000 0.640 163 A CB -0.760 18.231 19.000 -0.015 0.000 0.811 163 A HN 0.557 nan 8.150 nan 0.000 0.451 164 A N -1.479 121.269 122.820 -0.120 0.000 1.969 164 A HA 0.112 4.449 4.320 0.030 0.000 0.218 164 A C 1.884 179.208 177.584 -0.435 0.000 1.169 164 A CA 1.364 53.218 52.037 -0.305 0.000 0.635 164 A CB -0.573 18.156 19.000 -0.452 0.000 0.810 164 A HN 0.472 nan 8.150 nan 0.000 0.445 165 F N 0.026 119.804 119.950 -0.287 0.000 2.149 165 F HA -0.048 4.497 4.527 0.030 0.000 0.294 165 F C 2.737 178.320 175.800 -0.361 0.000 1.095 165 F CA 1.671 59.326 58.000 -0.576 0.000 1.276 165 F CB -1.064 37.043 39.000 -1.489 0.000 1.023 165 F HN 0.074 nan 8.300 nan 0.000 0.480 166 T N -0.423 114.148 114.554 0.030 0.000 2.685 166 T HA -0.298 4.070 4.350 0.030 0.000 0.268 166 T C 1.870 176.631 174.700 0.102 0.000 1.034 166 T CA 2.020 64.255 62.100 0.226 0.000 1.149 166 T CB -0.322 68.682 68.868 0.228 0.000 0.860 166 T HN 0.358 nan 8.240 nan 0.000 0.449 167 E N -0.716 119.491 120.200 0.013 0.000 2.060 167 E HA -0.074 4.294 4.350 0.030 0.000 0.189 167 E C 2.338 178.916 176.600 -0.035 0.000 0.974 167 E CA 0.838 57.230 56.400 -0.013 0.000 0.808 167 E CB -0.074 29.600 29.700 -0.042 0.000 0.768 167 E HN 0.446 nan 8.360 nan 0.000 0.453 168 c N 0.235 118.780 118.600 -0.092 0.000 2.457 168 c HA -0.047 4.541 4.570 0.030 0.000 0.278 168 c C 2.778 176.843 174.090 -0.041 0.000 1.309 168 c CA 0.224 56.494 56.329 -0.098 0.000 1.735 168 c CB -0.735 41.659 42.510 -0.193 0.000 1.992 168 c HN 0.643 nan 8.230 nan 0.000 0.493 169 c N -0.440 118.158 118.600 -0.004 0.000 2.448 169 c HA -0.068 4.520 4.570 0.030 0.000 0.280 169 c C 2.537 176.660 174.090 0.055 0.000 1.398 169 c CA 0.931 57.296 56.329 0.061 0.000 1.774 169 c CB -1.324 41.283 42.510 0.163 0.000 1.888 169 c HN 0.620 nan 8.230 nan 0.000 0.519 170 Q N 0.693 120.525 119.800 0.053 0.000 2.392 170 Q HA 0.360 4.718 4.340 0.030 0.000 0.203 170 Q C 0.715 176.724 176.000 0.015 0.000 0.917 170 Q CA 0.158 55.985 55.803 0.040 0.000 0.939 170 Q CB -0.087 28.685 28.738 0.056 0.000 1.063 170 Q HN 0.630 nan 8.270 nan 0.000 0.516 171 A N -0.497 122.326 122.820 0.005 0.000 2.340 171 A HA 0.602 4.940 4.320 0.030 0.000 0.268 171 A C 1.144 178.724 177.584 -0.006 0.000 1.100 171 A CA 0.301 52.335 52.037 -0.006 0.000 0.803 171 A CB 0.365 19.354 19.000 -0.018 0.000 1.043 171 A HN 0.390 nan 8.150 nan 0.000 0.488 172 A N 1.210 124.026 122.820 -0.007 0.000 1.849 172 A HA -0.124 4.214 4.320 0.030 0.000 0.217 172 A C 1.082 178.662 177.584 -0.008 0.000 1.202 172 A CA 2.085 54.118 52.037 -0.007 0.000 0.629 172 A CB -0.517 18.479 19.000 -0.007 0.000 0.834 172 A HN 0.773 nan 8.150 nan 0.000 0.447 173 D N -0.698 119.695 120.400 -0.011 0.000 2.479 173 D HA 0.330 4.988 4.640 0.030 0.000 0.218 173 D C 0.901 177.191 176.300 -0.017 0.000 1.131 173 D CA -0.094 53.899 54.000 -0.012 0.000 0.916 173 D CB 0.588 41.380 40.800 -0.013 0.000 1.022 173 D HN 0.335 nan 8.370 nan 0.000 0.515 174 K N 1.790 122.182 120.400 -0.013 0.000 1.973 174 K HA -0.125 4.213 4.320 0.030 0.000 0.212 174 K C 1.947 178.531 176.600 -0.027 0.000 1.047 174 K CA 1.429 57.705 56.287 -0.018 0.000 0.937 174 K CB -0.071 32.430 32.500 0.001 0.000 0.721 174 K HN 0.364 nan 8.250 nan 0.000 0.440 175 A N 1.460 124.272 122.820 -0.013 0.000 1.978 175 A HA -0.164 4.173 4.320 0.030 0.000 0.220 175 A C 2.317 179.885 177.584 -0.026 0.000 1.170 175 A CA 1.991 54.020 52.037 -0.015 0.000 0.636 175 A CB -0.778 18.221 19.000 -0.002 0.000 0.810 175 A HN 0.389 nan 8.150 nan 0.000 0.448 176 A N -1.791 121.014 122.820 -0.025 0.000 2.119 176 A HA -0.023 4.315 4.320 0.030 0.000 0.217 176 A C 2.206 179.766 177.584 -0.040 0.000 1.153 176 A CA 1.435 53.456 52.037 -0.027 0.000 0.692 176 A CB -0.946 18.041 19.000 -0.021 0.000 0.799 176 A HN 0.740 nan 8.150 nan 0.000 0.458 177 c N -1.727 116.843 118.600 -0.051 0.000 2.823 177 c HA 0.220 4.808 4.570 0.030 0.000 0.284 177 c C 2.273 176.299 174.090 -0.105 0.000 1.358 177 c CA 0.836 57.122 56.329 -0.071 0.000 1.697 177 c CB -1.133 41.334 42.510 -0.070 0.000 2.137 177 c HN 0.503 nan 8.230 nan 0.000 0.564 178 L N 1.322 122.468 121.223 -0.130 0.000 1.956 178 L HA -0.102 4.256 4.340 0.030 0.000 0.216 178 L C 2.334 179.112 176.870 -0.153 0.000 1.073 178 L CA 2.088 56.810 54.840 -0.197 0.000 0.762 178 L CB -1.184 40.756 42.059 -0.197 0.000 0.889 178 L HN 0.307 nan 8.230 nan 0.000 0.433 179 L N 0.207 121.377 121.223 -0.088 0.000 1.987 179 L HA -0.253 4.105 4.340 0.030 0.000 0.230 179 L C -0.285 176.551 176.870 -0.058 0.000 1.089 179 L CA 3.063 57.870 54.840 -0.055 0.000 0.802 179 L CB -2.719 39.323 42.059 -0.029 0.000 0.905 179 L HN 0.289 nan 8.230 nan 0.000 0.441 180 P HA -0.208 nan 4.420 nan 0.000 0.217 180 P C 1.430 178.689 177.300 -0.067 0.000 1.148 180 P CA 1.719 64.791 63.100 -0.047 0.000 0.828 180 P CB -0.014 31.663 31.700 -0.039 0.000 0.783 181 K N -0.636 119.702 120.400 -0.104 0.000 2.155 181 K HA 0.020 4.358 4.320 0.030 0.000 0.203 181 K C 2.370 178.868 176.600 -0.170 0.000 1.052 181 K CA 0.758 56.960 56.287 -0.142 0.000 0.948 181 K CB -0.399 31.988 32.500 -0.188 0.000 0.728 181 K HN 0.157 nan 8.250 nan 0.000 0.448 182 L N 0.789 121.923 121.223 -0.148 0.000 2.044 182 L HA -0.188 4.170 4.340 0.030 0.000 0.205 182 L C 1.655 178.506 176.870 -0.033 0.000 1.075 182 L CA 1.208 55.990 54.840 -0.097 0.000 0.747 182 L CB -0.352 41.691 42.059 -0.026 0.000 0.903 182 L HN 0.135 nan 8.230 nan 0.000 0.435 183 D N -0.062 120.324 120.400 -0.023 0.000 2.092 183 D HA -0.260 4.398 4.640 0.030 0.000 0.193 183 D C 2.035 178.337 176.300 0.004 0.000 0.994 183 D CA 1.357 55.358 54.000 0.001 0.000 0.828 183 D CB -0.077 40.723 40.800 -0.001 0.000 0.963 183 D HN 0.284 nan 8.370 nan 0.000 0.450 184 E N -0.257 119.934 120.200 -0.015 0.000 2.118 184 E HA -0.191 4.177 4.350 0.030 0.000 0.195 184 E C 1.958 178.570 176.600 0.019 0.000 0.992 184 E CA 0.566 56.965 56.400 -0.000 0.000 0.804 184 E CB -0.067 29.622 29.700 -0.018 0.000 0.741 184 E HN 0.120 nan 8.360 nan 0.000 0.458 185 L N 1.369 122.567 121.223 -0.041 0.000 2.072 185 L HA -0.104 4.254 4.340 0.030 0.000 0.205 185 L C 2.517 179.439 176.870 0.086 0.000 1.079 185 L CA 1.552 56.360 54.840 -0.053 0.000 0.752 185 L CB -0.577 41.230 42.059 -0.420 0.000 0.906 185 L HN 0.041 nan 8.230 nan 0.000 0.436 186 R N -0.430 120.120 120.500 0.083 0.000 2.096 186 R HA -0.190 4.168 4.340 0.030 0.000 0.229 186 R C 1.984 178.323 176.300 0.065 0.000 1.134 186 R CA 2.080 58.238 56.100 0.097 0.000 0.917 186 R CB -0.567 29.776 30.300 0.072 0.000 0.832 186 R HN 0.350 nan 8.270 nan 0.000 0.430 187 D N 0.392 120.832 120.400 0.066 0.000 2.126 187 D HA -0.237 4.421 4.640 0.030 0.000 0.190 187 D C 1.768 178.144 176.300 0.126 0.000 1.001 187 D CA 1.586 55.630 54.000 0.074 0.000 0.841 187 D CB -0.312 40.520 40.800 0.055 0.000 0.949 187 D HN 0.428 nan 8.370 nan 0.000 0.446 188 E N -0.129 120.182 120.200 0.184 0.000 2.070 188 E HA -0.175 4.193 4.350 0.030 0.000 0.197 188 E C 2.134 178.945 176.600 0.351 0.000 1.004 188 E CA 1.420 58.008 56.400 0.313 0.000 0.805 188 E CB -0.297 29.633 29.700 0.384 0.000 0.744 188 E HN 0.303 nan 8.360 nan 0.000 0.451 189 G N 0.651 109.539 108.800 0.146 0.000 2.408 189 G HA2 -0.239 3.739 3.960 0.030 0.000 0.217 189 G HA3 -0.239 3.739 3.960 0.030 0.000 0.217 189 G C 1.488 176.317 174.900 -0.119 0.000 1.150 189 G CA 0.574 45.428 45.100 -0.411 0.000 0.776 189 G HN 0.136 nan 8.290 nan 0.000 0.542 190 K N 0.448 120.844 120.400 -0.006 0.000 2.057 190 K HA 0.075 4.413 4.320 0.030 0.000 0.206 190 K C 2.978 179.656 176.600 0.129 0.000 1.050 190 K CA 0.888 57.212 56.287 0.061 0.000 0.935 190 K CB -0.196 32.341 32.500 0.061 0.000 0.715 190 K HN 0.257 nan 8.250 nan 0.000 0.439 191 A N 1.047 123.960 122.820 0.156 0.000 1.877 191 A HA -0.199 4.139 4.320 0.030 0.000 0.216 191 A C 2.263 179.971 177.584 0.206 0.000 1.186 191 A CA 2.136 54.286 52.037 0.190 0.000 0.620 191 A CB -0.778 18.367 19.000 0.243 0.000 0.822 191 A HN 0.285 nan 8.150 nan 0.000 0.443 192 S N -0.795 115.061 115.700 0.260 0.000 2.359 192 S HA -0.174 4.314 4.470 0.030 0.000 0.224 192 S C 2.365 177.102 174.600 0.228 0.000 1.035 192 S CA 2.057 60.428 58.200 0.285 0.000 1.018 192 S CB -0.461 63.018 63.200 0.465 0.000 0.876 192 S HN 0.627 nan 8.310 nan 0.000 0.448 193 S N 0.461 116.362 115.700 0.335 0.000 2.356 193 S HA 0.001 4.489 4.470 0.030 0.000 0.223 193 S C 2.097 176.823 174.600 0.209 0.000 1.032 193 S CA 1.388 59.811 58.200 0.373 0.000 1.005 193 S CB -0.744 62.742 63.200 0.477 0.000 0.867 193 S HN 0.678 nan 8.310 nan 0.000 0.449 194 A N 1.269 124.190 122.820 0.168 0.000 1.902 194 A HA -0.098 4.240 4.320 0.030 0.000 0.217 194 A C 2.086 179.717 177.584 0.078 0.000 1.181 194 A CA 1.637 53.741 52.037 0.111 0.000 0.623 194 A CB -0.544 18.514 19.000 0.097 0.000 0.818 194 A HN 0.614 nan 8.150 nan 0.000 0.443 195 K N -0.428 120.023 120.400 0.085 0.000 2.209 195 K HA -0.146 4.192 4.320 0.030 0.000 0.204 195 K C 2.186 178.807 176.600 0.035 0.000 1.048 195 K CA 1.407 57.725 56.287 0.052 0.000 0.940 195 K CB -0.140 32.402 32.500 0.071 0.000 0.729 195 K HN 0.648 nan 8.250 nan 0.000 0.451 196 Q N 0.325 120.155 119.800 0.049 0.000 2.123 196 Q HA -0.121 4.237 4.340 0.030 0.000 0.199 196 Q C 2.020 178.036 176.000 0.026 0.000 0.966 196 Q CA 1.109 56.933 55.803 0.035 0.000 0.845 196 Q CB -0.012 28.728 28.738 0.004 0.000 0.907 196 Q HN 0.398 nan 8.270 nan 0.000 0.439 197 R N 0.074 120.592 120.500 0.031 0.000 2.115 197 R HA -0.021 4.336 4.340 0.030 0.000 0.226 197 R C 2.046 178.334 176.300 -0.020 0.000 1.100 197 R CA 0.462 56.562 56.100 0.000 0.000 0.980 197 R CB -0.363 29.945 30.300 0.013 0.000 0.875 197 R HN 0.074 nan 8.270 nan 0.000 0.445 198 L N 2.118 123.330 121.223 -0.018 0.000 1.955 198 L HA -0.137 4.221 4.340 0.030 0.000 0.213 198 L C 2.211 179.031 176.870 -0.083 0.000 1.072 198 L CA 1.965 56.778 54.840 -0.046 0.000 0.755 198 L CB -0.936 41.085 42.059 -0.064 0.000 0.888 198 L HN 0.235 nan 8.230 nan 0.000 0.432 199 K N -1.193 119.138 120.400 -0.115 0.000 2.127 199 K HA -0.231 4.106 4.320 0.030 0.000 0.208 199 K C 2.078 178.626 176.600 -0.088 0.000 1.047 199 K CA 1.777 57.971 56.287 -0.156 0.000 0.927 199 K CB -0.288 32.127 32.500 -0.141 0.000 0.716 199 K HN 0.419 nan 8.250 nan 0.000 0.450 200 c N -0.065 118.500 118.600 -0.057 0.000 2.492 200 c HA 0.090 4.678 4.570 0.030 0.000 0.279 200 c C 2.877 176.931 174.090 -0.060 0.000 1.335 200 c CA 0.411 56.701 56.329 -0.065 0.000 1.734 200 c CB -0.606 41.864 42.510 -0.068 0.000 2.027 200 c HN 0.528 nan 8.230 nan 0.000 0.496 201 A N 0.826 123.619 122.820 -0.044 0.000 1.930 201 A HA -0.114 4.224 4.320 0.030 0.000 0.217 201 A C 2.233 179.831 177.584 0.023 0.000 1.175 201 A CA 2.221 54.243 52.037 -0.025 0.000 0.627 201 A CB -0.660 18.334 19.000 -0.011 0.000 0.815 201 A HN 0.548 nan 8.150 nan 0.000 0.443 202 S N -0.269 115.472 115.700 0.068 0.000 2.345 202 S HA -0.128 4.360 4.470 0.030 0.000 0.220 202 S C 1.829 176.546 174.600 0.194 0.000 1.031 202 S CA 1.273 59.609 58.200 0.227 0.000 0.996 202 S CB -0.598 62.641 63.200 0.065 0.000 0.882 202 S HN 0.514 nan 8.310 nan 0.000 0.445 203 L N 1.208 122.474 121.223 0.073 0.000 2.351 203 L HA -0.212 4.146 4.340 0.030 0.000 0.220 203 L C 2.415 179.282 176.870 -0.005 0.000 1.127 203 L CA 1.447 56.293 54.840 0.011 0.000 0.786 203 L CB -0.153 41.789 42.059 -0.196 0.000 0.914 203 L HN 0.390 nan 8.230 nan 0.000 0.443 204 Q N -1.142 118.647 119.800 -0.018 0.000 2.304 204 Q HA -0.096 4.261 4.340 0.030 0.000 0.204 204 Q C 2.050 177.990 176.000 -0.101 0.000 0.936 204 Q CA 0.287 56.057 55.803 -0.054 0.000 0.878 204 Q CB 0.167 28.864 28.738 -0.068 0.000 0.983 204 Q HN 0.423 nan 8.270 nan 0.000 0.516 205 K N 0.044 120.345 120.400 -0.166 0.000 1.967 205 K HA -0.087 4.251 4.320 0.030 0.000 0.212 205 K C 1.617 177.916 176.600 -0.500 0.000 1.044 205 K CA 1.648 57.668 56.287 -0.446 0.000 0.942 205 K CB -0.162 31.840 32.500 -0.830 0.000 0.726 205 K HN 0.157 nan 8.250 nan 0.000 0.440 206 F N 0.862 120.805 119.950 -0.011 0.000 2.780 206 F HA 0.169 4.714 4.527 0.032 0.000 0.299 206 F C 1.276 177.089 175.800 0.022 0.000 1.146 206 F CA 0.314 58.316 58.000 0.004 0.000 1.428 206 F CB -0.443 38.558 39.000 0.001 0.000 1.115 206 F HN 0.229 nan 8.300 nan 0.000 0.583 207 G N 0.766 109.642 108.800 0.127 0.000 2.860 207 G HA2 -0.317 3.661 3.960 0.030 0.000 0.553 207 G HA3 -0.317 3.661 3.960 0.030 0.000 0.553 207 G C 0.563 175.549 174.900 0.143 0.000 1.439 207 G CA 0.099 45.257 45.100 0.097 0.000 0.879 207 G HN 0.329 nan 8.290 nan 0.000 0.545 208 E N -0.285 119.977 120.200 0.103 0.000 2.065 208 E HA -0.248 4.120 4.350 0.030 0.000 0.201 208 E C 2.567 179.287 176.600 0.199 0.000 1.016 208 E CA 1.633 58.115 56.400 0.138 0.000 0.818 208 E CB -0.115 29.634 29.700 0.082 0.000 0.749 208 E HN 0.529 nan 8.360 nan 0.000 0.453 209 R N -0.108 120.483 120.500 0.151 0.000 2.122 209 R HA -0.254 4.104 4.340 0.030 0.000 0.236 209 R C 2.292 178.690 176.300 0.164 0.000 1.129 209 R CA 1.825 58.012 56.100 0.146 0.000 0.925 209 R CB -0.621 29.750 30.300 0.119 0.000 0.850 209 R HN 0.275 nan 8.270 nan 0.000 0.431 210 A N 0.138 123.057 122.820 0.166 0.000 1.978 210 A HA -0.215 4.123 4.320 0.030 0.000 0.220 210 A C 2.038 179.713 177.584 0.150 0.000 1.170 210 A CA 1.502 53.621 52.037 0.137 0.000 0.636 210 A CB -0.779 18.297 19.000 0.128 0.000 0.810 210 A HN 0.556 nan 8.150 nan 0.000 0.448 211 F N 0.703 120.701 119.950 0.080 0.000 2.102 211 F HA -0.159 4.387 4.527 0.031 0.000 0.298 211 F C 2.193 178.104 175.800 0.186 0.000 1.105 211 F CA 2.182 60.232 58.000 0.083 0.000 1.239 211 F CB -0.165 38.850 39.000 0.026 0.000 0.991 211 F HN 0.122 nan 8.300 nan 0.000 0.474 212 K N 0.178 120.730 120.400 0.253 0.000 2.063 212 K HA -0.184 4.153 4.320 0.030 0.000 0.208 212 K C 2.312 178.943 176.600 0.052 0.000 1.048 212 K CA 1.284 57.667 56.287 0.160 0.000 0.928 212 K CB -0.631 31.977 32.500 0.179 0.000 0.713 212 K HN 0.373 nan 8.250 nan 0.000 0.442 213 A N 0.957 123.822 122.820 0.075 0.000 1.858 213 A HA -0.211 4.126 4.320 0.030 0.000 0.216 213 A C 1.960 179.534 177.584 -0.015 0.000 1.190 213 A CA 1.523 53.589 52.037 0.048 0.000 0.617 213 A CB -1.076 17.964 19.000 0.068 0.000 0.827 213 A HN 0.638 nan 8.150 nan 0.000 0.443 214 W N 0.713 121.885 121.300 -0.214 0.000 2.342 214 W HA -0.138 4.538 4.660 0.028 0.000 0.297 214 W C 2.293 178.616 176.519 -0.328 0.000 1.213 214 W CA 2.245 59.419 57.345 -0.284 0.000 1.251 214 W CB -0.070 29.169 29.460 -0.368 0.000 1.136 214 W HN 0.361 nan 8.180 nan 0.000 0.526 215 A N -0.388 122.247 122.820 -0.308 0.000 1.897 215 A HA -0.105 4.233 4.320 0.030 0.000 0.215 215 A C 2.001 179.383 177.584 -0.336 0.000 1.181 215 A CA 1.933 53.710 52.037 -0.435 0.000 0.620 215 A CB -1.130 17.741 19.000 -0.215 0.000 0.821 215 A HN 0.162 nan 8.150 nan 0.000 0.443 216 V N 0.119 119.922 119.914 -0.186 0.000 2.295 216 V HA -0.268 3.870 4.120 0.030 0.000 0.246 216 V C 3.062 179.069 176.094 -0.146 0.000 1.049 216 V CA 1.982 64.217 62.300 -0.109 0.000 1.024 216 V CB -1.344 30.488 31.823 0.015 0.000 0.648 216 V HN 0.613 nan 8.190 nan 0.000 0.447 217 A N -0.014 122.678 122.820 -0.213 0.000 1.851 217 A HA -0.294 4.044 4.320 0.030 0.000 0.216 217 A C 2.425 179.802 177.584 -0.344 0.000 1.195 217 A CA 2.295 54.183 52.037 -0.248 0.000 0.622 217 A CB -0.689 18.140 19.000 -0.285 0.000 0.831 217 A HN 0.444 nan 8.150 nan 0.000 0.444 218 R N -0.662 119.499 120.500 -0.565 0.000 2.127 218 R HA -0.065 4.293 4.340 0.030 0.000 0.238 218 R C 2.052 178.059 176.300 -0.487 0.000 1.134 218 R CA 1.349 57.082 56.100 -0.612 0.000 0.975 218 R CB -0.330 29.378 30.300 -0.987 0.000 0.865 218 R HN 0.579 nan 8.270 nan 0.000 0.447 219 L N 0.072 121.045 121.223 -0.416 0.000 2.044 219 L HA -0.124 4.234 4.340 0.030 0.000 0.205 219 L C 2.438 179.122 176.870 -0.311 0.000 1.075 219 L CA 1.554 56.164 54.840 -0.382 0.000 0.747 219 L CB -0.327 41.615 42.059 -0.196 0.000 0.903 219 L HN 0.325 nan 8.230 nan 0.000 0.435 220 S N -1.271 114.355 115.700 -0.124 0.000 2.447 220 S HA -0.249 4.239 4.470 0.030 0.000 0.233 220 S C 1.788 176.336 174.600 -0.087 0.000 1.006 220 S CA 0.853 59.077 58.200 0.041 0.000 0.957 220 S CB -0.255 63.112 63.200 0.278 0.000 0.773 220 S HN 0.431 nan 8.310 nan 0.000 0.507 221 Q N 0.815 120.498 119.800 -0.195 0.000 2.230 221 Q HA 0.069 4.427 4.340 0.030 0.000 0.202 221 Q C 2.235 178.098 176.000 -0.229 0.000 0.963 221 Q CA 0.772 56.451 55.803 -0.207 0.000 0.866 221 Q CB 0.077 28.675 28.738 -0.234 0.000 0.931 221 Q HN 0.513 nan 8.270 nan 0.000 0.452 222 R N -1.180 119.107 120.500 -0.355 0.000 2.175 222 R HA 0.061 4.419 4.340 0.030 0.000 0.202 222 R C -0.001 176.125 176.300 -0.290 0.000 1.018 222 R CA 0.351 56.178 56.100 -0.456 0.000 1.029 222 R CB 0.635 30.435 30.300 -0.834 0.000 0.959 222 R HN 0.139 nan 8.270 nan 0.000 0.480 223 F N 1.516 121.443 119.950 -0.037 0.000 2.739 223 F HA 0.320 4.865 4.527 0.031 0.000 0.345 223 F C -1.596 174.221 175.800 0.027 0.000 1.373 223 F CA -3.298 54.696 58.000 -0.010 0.000 1.160 223 F CB 0.638 39.633 39.000 -0.009 0.000 1.137 223 F HN -0.128 nan 8.300 nan 0.000 0.524 224 P HA -0.229 nan 4.420 nan 0.000 0.218 224 P C 1.037 178.405 177.300 0.112 0.000 1.146 224 P CA 1.559 64.704 63.100 0.074 0.000 0.813 224 P CB 0.343 32.022 31.700 -0.035 0.000 0.778 225 K N -0.655 119.814 120.400 0.115 0.000 2.418 225 K HA 0.177 4.514 4.320 0.030 0.000 0.195 225 K C 1.280 177.952 176.600 0.120 0.000 1.035 225 K CA -0.001 56.342 56.287 0.092 0.000 1.003 225 K CB -0.003 32.530 32.500 0.055 0.000 0.793 225 K HN 0.114 nan 8.250 nan 0.000 0.494 226 A N 2.719 125.633 122.820 0.158 0.000 2.366 226 A HA 0.061 4.399 4.320 0.030 0.000 0.249 226 A C -0.005 177.674 177.584 0.158 0.000 1.084 226 A CA -0.394 51.714 52.037 0.117 0.000 0.794 226 A CB 0.164 19.226 19.000 0.103 0.000 1.034 226 A HN 0.288 nan 8.150 nan 0.000 0.491 227 E N 0.955 121.197 120.200 0.070 0.000 2.231 227 E HA 0.344 4.711 4.350 0.030 0.000 0.277 227 E C 0.130 176.625 176.600 -0.175 0.000 0.999 227 E CA -0.691 55.743 56.400 0.057 0.000 0.827 227 E CB 0.717 30.466 29.700 0.081 0.000 1.101 227 E HN 0.500 nan 8.360 nan 0.000 0.393 228 F N 2.889 122.466 119.950 -0.622 0.000 2.101 228 F HA -0.381 4.164 4.527 0.030 0.000 0.298 228 F C 2.155 177.770 175.800 -0.310 0.000 1.076 228 F CA 2.676 60.223 58.000 -0.755 0.000 1.248 228 F CB -0.429 38.235 39.000 -0.560 0.000 0.999 228 F HN 0.751 nan 8.300 nan 0.000 0.488 229 A N -0.755 121.975 122.820 -0.150 0.000 1.908 229 A HA -0.260 4.078 4.320 0.030 0.000 0.218 229 A C 2.056 179.505 177.584 -0.225 0.000 1.181 229 A CA 1.987 53.936 52.037 -0.147 0.000 0.627 229 A CB -0.878 18.122 19.000 -0.001 0.000 0.818 229 A HN 0.501 nan 8.150 nan 0.000 0.445 230 E N -0.263 119.829 120.200 -0.179 0.000 2.028 230 E HA -0.088 4.280 4.350 0.030 0.000 0.191 230 E C 1.835 178.311 176.600 -0.207 0.000 0.988 230 E CA 1.360 57.684 56.400 -0.125 0.000 0.799 230 E CB -0.430 29.242 29.700 -0.047 0.000 0.755 230 E HN 0.206 nan 8.360 nan 0.000 0.447 231 V N 0.572 120.312 119.914 -0.290 0.000 2.660 231 V HA -0.257 3.881 4.120 0.030 0.000 0.257 231 V C 2.130 177.995 176.094 -0.382 0.000 1.088 231 V CA 1.935 64.063 62.300 -0.287 0.000 1.106 231 V CB -0.480 31.135 31.823 -0.346 0.000 0.686 231 V HN 0.215 nan 8.190 nan 0.000 0.481 232 S N -1.026 114.346 115.700 -0.547 0.000 2.406 232 S HA -0.088 4.400 4.470 0.030 0.000 0.224 232 S C 2.056 176.508 174.600 -0.248 0.000 1.030 232 S CA 0.709 58.633 58.200 -0.460 0.000 0.958 232 S CB -0.172 62.683 63.200 -0.574 0.000 0.811 232 S HN 0.489 nan 8.310 nan 0.000 0.489 233 K N 1.992 122.255 120.400 -0.228 0.000 1.985 233 K HA -0.030 4.308 4.320 0.030 0.000 0.210 233 K C 2.003 178.465 176.600 -0.230 0.000 1.047 233 K CA 1.271 57.437 56.287 -0.201 0.000 0.932 233 K CB -0.743 31.634 32.500 -0.204 0.000 0.716 233 K HN 0.331 nan 8.250 nan 0.000 0.439 234 L N 0.902 121.983 121.223 -0.236 0.000 2.013 234 L HA -0.209 4.149 4.340 0.030 0.000 0.212 234 L C 2.584 179.405 176.870 -0.082 0.000 1.073 234 L CA 1.161 55.895 54.840 -0.176 0.000 0.753 234 L CB -0.601 41.411 42.059 -0.079 0.000 0.890 234 L HN -0.036 nan 8.230 nan 0.000 0.432 235 V N -0.639 119.229 119.914 -0.077 0.000 2.594 235 V HA -0.255 3.883 4.120 0.030 0.000 0.253 235 V C 2.484 178.603 176.094 0.041 0.000 1.069 235 V CA 2.114 64.408 62.300 -0.010 0.000 1.082 235 V CB -0.646 31.147 31.823 -0.050 0.000 0.680 235 V HN 0.499 nan 8.190 nan 0.000 0.469 236 T N -0.162 114.382 114.554 -0.017 0.000 2.639 236 T HA -0.160 4.208 4.350 0.030 0.000 0.261 236 T C 1.632 176.339 174.700 0.011 0.000 1.053 236 T CA 1.753 63.856 62.100 0.004 0.000 1.158 236 T CB -0.372 68.476 68.868 -0.032 0.000 0.863 236 T HN 0.469 nan 8.240 nan 0.000 0.413 237 D N 1.524 121.901 120.400 -0.039 0.000 2.106 237 D HA -0.087 4.571 4.640 0.030 0.000 0.191 237 D C 2.037 178.344 176.300 0.013 0.000 0.997 237 D CA 0.486 54.462 54.000 -0.041 0.000 0.834 237 D CB -0.591 40.142 40.800 -0.111 0.000 0.956 237 D HN 0.090 nan 8.370 nan 0.000 0.448 238 L N 0.904 122.159 121.223 0.053 0.000 2.081 238 L HA -0.203 4.154 4.340 0.030 0.000 0.212 238 L C 1.678 178.710 176.870 0.269 0.000 1.080 238 L CA 1.886 56.821 54.840 0.158 0.000 0.754 238 L CB -1.066 41.118 42.059 0.209 0.000 0.893 238 L HN 0.078 nan 8.230 nan 0.000 0.433 239 T N 0.137 114.836 114.554 0.241 0.000 2.732 239 T HA -0.198 4.170 4.350 0.030 0.000 0.261 239 T C 1.809 176.511 174.700 0.003 0.000 1.040 239 T CA 1.681 63.878 62.100 0.162 0.000 1.145 239 T CB -0.078 68.900 68.868 0.184 0.000 0.866 239 T HN 0.395 nan 8.240 nan 0.000 0.427 240 K N 1.047 121.451 120.400 0.007 0.000 2.089 240 K HA -0.159 4.178 4.320 0.030 0.000 0.210 240 K C 2.130 178.704 176.600 -0.043 0.000 1.048 240 K CA 1.473 57.745 56.287 -0.026 0.000 0.926 240 K CB -0.536 31.951 32.500 -0.021 0.000 0.714 240 K HN 0.138 nan 8.250 nan 0.000 0.448 241 V N 1.610 121.497 119.914 -0.044 0.000 2.219 241 V HA -0.296 3.842 4.120 0.030 0.000 0.248 241 V C 2.460 178.463 176.094 -0.152 0.000 1.053 241 V CA 2.200 64.434 62.300 -0.109 0.000 1.009 241 V CB -0.779 30.951 31.823 -0.155 0.000 0.636 241 V HN 0.493 nan 8.190 nan 0.000 0.445 242 H N -0.056 118.943 119.070 -0.119 0.000 2.390 242 H HA -0.151 4.423 4.556 0.031 0.000 0.298 242 H C 2.455 177.663 175.328 -0.201 0.000 1.106 242 H CA 2.101 58.040 56.048 -0.182 0.000 1.297 242 H CB -0.473 29.099 29.762 -0.317 0.000 1.375 242 H HN 0.451 nan 8.280 nan 0.000 0.509 243 T N 0.521 115.015 114.554 -0.100 0.000 2.708 243 T HA -0.166 4.202 4.350 0.030 0.000 0.266 243 T C 2.011 176.701 174.700 -0.017 0.000 1.037 243 T CA 1.728 63.774 62.100 -0.091 0.000 1.146 243 T CB -0.050 68.760 68.868 -0.097 0.000 0.865 243 T HN 0.331 nan 8.240 nan 0.000 0.435 244 E N 0.721 120.909 120.200 -0.020 0.000 2.015 244 E HA -0.087 4.280 4.350 0.030 0.000 0.191 244 E C 2.234 178.873 176.600 0.065 0.000 0.991 244 E CA 1.261 57.674 56.400 0.022 0.000 0.802 244 E CB -0.885 28.809 29.700 -0.010 0.000 0.759 244 E HN 0.481 nan 8.360 nan 0.000 0.447 245 c N 0.136 118.731 118.600 -0.009 0.000 2.409 245 c HA -0.117 4.471 4.570 0.030 0.000 0.288 245 c C 2.722 176.842 174.090 0.049 0.000 1.395 245 c CA 0.642 56.964 56.329 -0.011 0.000 1.792 245 c CB -1.463 40.949 42.510 -0.163 0.000 1.847 245 c HN 0.583 nan 8.230 nan 0.000 0.534 246 c N -1.683 116.945 118.600 0.045 0.000 2.507 246 c HA -0.024 4.564 4.570 0.030 0.000 0.280 246 c C 2.649 176.767 174.090 0.047 0.000 1.345 246 c CA 0.442 56.787 56.329 0.025 0.000 1.736 246 c CB -1.442 41.056 42.510 -0.020 0.000 2.060 246 c HN 0.701 nan 8.230 nan 0.000 0.498 247 H N 0.666 119.744 119.070 0.014 0.000 2.557 247 H HA -0.010 4.564 4.556 0.030 0.000 0.287 247 H C 1.811 177.220 175.328 0.136 0.000 1.043 247 H CA 1.588 57.661 56.048 0.042 0.000 1.226 247 H CB -0.164 29.615 29.762 0.029 0.000 1.361 247 H HN 0.595 nan 8.280 nan 0.000 0.592 248 G N 0.520 109.433 108.800 0.189 0.000 2.729 248 G HA2 -0.290 3.688 3.960 0.030 0.000 0.216 248 G HA3 -0.290 3.688 3.960 0.030 0.000 0.216 248 G C 0.267 175.279 174.900 0.186 0.000 1.252 248 G CA 0.189 45.438 45.100 0.249 0.000 0.751 248 G HN 0.554 nan 8.290 nan 0.000 0.527 249 D N 1.873 122.425 120.400 0.254 0.000 2.660 249 D HA 0.084 4.741 4.640 0.030 0.000 0.253 249 D C 1.748 178.144 176.300 0.161 0.000 1.256 249 D CA 0.610 54.756 54.000 0.242 0.000 0.914 249 D CB 0.710 41.694 40.800 0.307 0.000 1.137 249 D HN 0.356 nan 8.370 nan 0.000 0.542 250 L N 5.741 127.018 121.223 0.089 0.000 2.056 250 L HA -0.134 4.224 4.340 0.030 0.000 0.207 250 L C 2.035 178.940 176.870 0.058 0.000 1.078 250 L CA 1.353 56.230 54.840 0.061 0.000 0.749 250 L CB -0.400 41.629 42.059 -0.051 0.000 0.901 250 L HN 0.555 nan 8.230 nan 0.000 0.433 251 L N -0.647 120.577 121.223 0.002 0.000 1.943 251 L HA -0.201 4.157 4.340 0.030 0.000 0.215 251 L C 2.742 179.678 176.870 0.110 0.000 1.074 251 L CA 1.532 56.388 54.840 0.026 0.000 0.759 251 L CB -0.772 41.279 42.059 -0.014 0.000 0.888 251 L HN 0.275 nan 8.230 nan 0.000 0.433 252 E N -0.410 119.889 120.200 0.166 0.000 2.113 252 E HA -0.366 4.001 4.350 0.030 0.000 0.210 252 E C 2.170 178.815 176.600 0.074 0.000 1.040 252 E CA 1.928 58.396 56.400 0.114 0.000 0.847 252 E CB -1.035 28.727 29.700 0.103 0.000 0.755 252 E HN 0.615 nan 8.360 nan 0.000 0.459 253 c N 0.821 119.469 118.600 0.080 0.000 2.388 253 c HA -0.155 4.433 4.570 0.030 0.000 0.277 253 c C 2.941 177.061 174.090 0.050 0.000 1.210 253 c CA 1.916 58.266 56.329 0.035 0.000 1.743 253 c CB -1.190 41.352 42.510 0.053 0.000 2.047 253 c HN 0.519 nan 8.230 nan 0.000 0.458 254 A N 0.112 123.032 122.820 0.168 0.000 1.917 254 A HA -0.219 4.119 4.320 0.030 0.000 0.219 254 A C 1.912 179.557 177.584 0.102 0.000 1.182 254 A CA 2.460 54.625 52.037 0.212 0.000 0.633 254 A CB -0.903 18.203 19.000 0.178 0.000 0.819 254 A HN 0.704 nan 8.150 nan 0.000 0.448 255 D N 0.058 120.501 120.400 0.072 0.000 2.097 255 D HA -0.122 4.536 4.640 0.030 0.000 0.195 255 D C 1.508 177.829 176.300 0.036 0.000 0.989 255 D CA 1.413 55.444 54.000 0.051 0.000 0.827 255 D CB -0.407 40.426 40.800 0.055 0.000 0.966 255 D HN 0.391 nan 8.370 nan 0.000 0.456 256 D N 0.413 120.826 120.400 0.021 0.000 2.092 256 D HA -0.129 4.529 4.640 0.030 0.000 0.193 256 D C 2.184 178.475 176.300 -0.015 0.000 0.994 256 D CA 0.787 54.785 54.000 -0.004 0.000 0.828 256 D CB -0.208 40.575 40.800 -0.027 0.000 0.963 256 D HN 0.221 nan 8.370 nan 0.000 0.450 257 R N 0.689 121.168 120.500 -0.035 0.000 2.105 257 R HA -0.060 4.298 4.340 0.030 0.000 0.239 257 R C 2.279 178.588 176.300 0.014 0.000 1.135 257 R CA 1.095 57.170 56.100 -0.043 0.000 0.967 257 R CB -0.273 29.975 30.300 -0.087 0.000 0.861 257 R HN 0.117 nan 8.270 nan 0.000 0.442 258 A N 1.887 124.730 122.820 0.039 0.000 1.835 258 A HA -0.218 4.120 4.320 0.030 0.000 0.215 258 A C 1.702 179.313 177.584 0.045 0.000 1.199 258 A CA 1.804 53.869 52.037 0.047 0.000 0.615 258 A CB -0.582 18.445 19.000 0.045 0.000 0.838 258 A HN 0.197 nan 8.150 nan 0.000 0.444 259 D N -0.290 120.137 120.400 0.044 0.000 2.127 259 D HA -0.200 4.458 4.640 0.030 0.000 0.190 259 D C 1.858 178.201 176.300 0.072 0.000 1.000 259 D CA 1.783 55.817 54.000 0.058 0.000 0.839 259 D CB -0.655 40.176 40.800 0.052 0.000 0.955 259 D HN 0.307 nan 8.370 nan 0.000 0.446 260 L N 1.068 122.318 121.223 0.043 0.000 2.137 260 L HA -0.202 4.156 4.340 0.030 0.000 0.213 260 L C 2.071 178.982 176.870 0.068 0.000 1.085 260 L CA 1.927 56.788 54.840 0.034 0.000 0.760 260 L CB -0.707 41.349 42.059 -0.004 0.000 0.893 260 L HN 0.001 nan 8.230 nan 0.000 0.434 261 A N -1.615 121.241 122.820 0.059 0.000 2.021 261 A HA -0.096 4.242 4.320 0.030 0.000 0.216 261 A C 2.361 179.982 177.584 0.062 0.000 1.163 261 A CA 1.074 53.145 52.037 0.057 0.000 0.676 261 A CB -0.367 18.660 19.000 0.045 0.000 0.818 261 A HN 0.449 nan 8.150 nan 0.000 0.453 262 K N -1.459 118.984 120.400 0.072 0.000 2.001 262 K HA -0.138 4.200 4.320 0.030 0.000 0.208 262 K C 1.863 178.500 176.600 0.062 0.000 1.048 262 K CA 1.621 57.942 56.287 0.055 0.000 0.932 262 K CB -0.364 32.169 32.500 0.055 0.000 0.715 262 K HN 0.581 nan 8.250 nan 0.000 0.437 263 Y N 1.723 122.011 120.300 -0.020 0.000 2.053 263 Y HA -0.291 4.277 4.550 0.030 0.000 0.277 263 Y C 2.038 177.905 175.900 -0.054 0.000 1.159 263 Y CA 1.814 59.895 58.100 -0.032 0.000 1.125 263 Y CB -0.201 38.243 38.460 -0.027 0.000 0.969 263 Y HN 0.009 nan 8.280 nan 0.000 0.492 264 I N -0.921 119.798 120.570 0.248 0.000 2.248 264 I HA -0.425 3.763 4.170 0.030 0.000 0.248 264 I C 2.300 178.401 176.117 -0.026 0.000 1.107 264 I CA 1.438 62.791 61.300 0.088 0.000 1.373 264 I CB -0.555 37.459 38.000 0.023 0.000 1.055 264 I HN 0.412 nan 8.210 nan 0.000 0.418 265 c N 0.191 118.780 118.600 -0.017 0.000 2.464 265 c HA -0.023 4.565 4.570 0.030 0.000 0.278 265 c C 2.594 176.644 174.090 -0.066 0.000 1.375 265 c CA 0.145 56.450 56.329 -0.041 0.000 1.761 265 c CB -0.797 41.702 42.510 -0.018 0.000 1.944 265 c HN 0.463 nan 8.230 nan 0.000 0.509 266 E N 1.435 121.579 120.200 -0.093 0.000 2.072 266 E HA -0.085 4.283 4.350 0.030 0.000 0.190 266 E C 0.604 177.108 176.600 -0.160 0.000 0.982 266 E CA 0.984 57.305 56.400 -0.131 0.000 0.803 266 E CB -0.438 29.155 29.700 -0.180 0.000 0.755 266 E HN 0.754 nan 8.360 nan 0.000 0.453 267 N N 1.206 119.786 118.700 -0.201 0.000 2.453 267 N HA 0.034 4.792 4.740 0.030 0.000 0.270 267 N C 1.224 176.659 175.510 -0.126 0.000 1.195 267 N CA -0.152 52.790 53.050 -0.180 0.000 0.902 267 N CB 0.548 38.883 38.487 -0.254 0.000 1.186 267 N HN 0.112 nan 8.380 nan 0.000 0.510 268 Q N 1.028 120.760 119.800 -0.112 0.000 2.096 268 Q HA -0.217 4.141 4.340 0.030 0.000 0.204 268 Q C 0.761 176.699 176.000 -0.104 0.000 0.982 268 Q CA 1.528 57.264 55.803 -0.113 0.000 0.850 268 Q CB 0.164 28.852 28.738 -0.084 0.000 0.901 268 Q HN 0.365 nan 8.270 nan 0.000 0.422 269 D N 0.068 120.420 120.400 -0.080 0.000 2.182 269 D HA -0.119 4.538 4.640 0.030 0.000 0.201 269 D C 1.724 177.990 176.300 -0.058 0.000 0.986 269 D CA 1.647 55.611 54.000 -0.060 0.000 0.847 269 D CB -0.020 40.751 40.800 -0.048 0.000 0.942 269 D HN 0.362 nan 8.370 nan 0.000 0.467 270 S N -0.917 114.743 115.700 -0.067 0.000 2.577 270 S HA 0.178 4.666 4.470 0.030 0.000 0.219 270 S C 1.732 176.291 174.600 -0.068 0.000 0.962 270 S CA -0.249 57.921 58.200 -0.050 0.000 0.921 270 S CB 0.153 63.331 63.200 -0.037 0.000 0.789 270 S HN 0.202 nan 8.310 nan 0.000 0.497 271 I N -0.194 120.295 120.570 -0.136 0.000 3.345 271 I HA 0.299 4.487 4.170 0.030 0.000 0.258 271 I C 0.848 176.811 176.117 -0.256 0.000 1.134 271 I CA 0.092 61.237 61.300 -0.259 0.000 1.457 271 I CB 0.442 38.159 38.000 -0.472 0.000 1.425 271 I HN 0.318 nan 8.210 nan 0.000 0.461 272 S N -0.604 114.959 115.700 -0.228 0.000 2.565 272 S HA 0.267 4.755 4.470 0.030 0.000 0.269 272 S C 0.367 174.937 174.600 -0.051 0.000 1.153 272 S CA -0.046 58.106 58.200 -0.080 0.000 0.835 272 S CB 1.540 64.731 63.200 -0.016 0.000 1.122 272 S HN 0.247 nan 8.310 nan 0.000 0.462 273 S N 1.968 117.666 115.700 -0.004 0.000 2.503 273 S HA 0.171 4.659 4.470 0.030 0.000 0.217 273 S C 1.066 175.667 174.600 0.002 0.000 0.999 273 S CA -0.156 58.040 58.200 -0.007 0.000 0.914 273 S CB -0.148 63.052 63.200 0.000 0.000 0.782 273 S HN 0.614 nan 8.310 nan 0.000 0.520 274 K N 1.721 122.135 120.400 0.023 0.000 2.432 274 K HA 0.260 4.598 4.320 0.030 0.000 0.196 274 K C 1.406 178.021 176.600 0.025 0.000 1.038 274 K CA 0.267 56.572 56.287 0.030 0.000 0.986 274 K CB -0.530 32.002 32.500 0.053 0.000 0.782 274 K HN 0.457 nan 8.250 nan 0.000 0.485 275 L N 0.980 122.207 121.223 0.008 0.000 2.633 275 L HA -0.063 4.294 4.340 0.030 0.000 0.235 275 L C 2.106 178.971 176.870 -0.009 0.000 1.163 275 L CA 0.185 55.022 54.840 -0.006 0.000 0.859 275 L CB -0.500 41.524 42.059 -0.058 0.000 0.973 275 L HN 0.015 nan 8.230 nan 0.000 0.451 276 K N 1.317 121.714 120.400 -0.005 0.000 1.980 276 K HA -0.276 4.062 4.320 0.030 0.000 0.223 276 K C 1.995 178.597 176.600 0.003 0.000 1.052 276 K CA 2.090 58.375 56.287 -0.004 0.000 0.974 276 K CB -0.236 32.264 32.500 0.000 0.000 0.734 276 K HN 0.299 nan 8.250 nan 0.000 0.447 277 E N -0.335 119.871 120.200 0.009 0.000 2.013 277 E HA -0.277 4.091 4.350 0.030 0.000 0.202 277 E C 2.098 178.708 176.600 0.017 0.000 1.018 277 E CA 2.156 58.565 56.400 0.015 0.000 0.834 277 E CB -0.364 29.347 29.700 0.020 0.000 0.770 277 E HN 0.473 nan 8.360 nan 0.000 0.459 278 c N 0.602 119.212 118.600 0.016 0.000 2.369 278 c HA -0.260 4.327 4.570 0.030 0.000 0.273 278 c C 2.966 177.067 174.090 0.018 0.000 1.172 278 c CA 1.060 57.399 56.329 0.017 0.000 1.791 278 c CB -1.283 41.234 42.510 0.012 0.000 2.086 278 c HN 0.666 nan 8.230 nan 0.000 0.459 279 c N 0.258 118.863 118.600 0.009 0.000 2.437 279 c HA -0.049 4.539 4.570 0.030 0.000 0.283 279 c C 2.367 176.463 174.090 0.010 0.000 1.424 279 c CA 0.741 57.073 56.329 0.006 0.000 1.782 279 c CB -1.314 41.191 42.510 -0.008 0.000 1.833 279 c HN 0.600 nan 8.230 nan 0.000 0.532 280 E N 0.841 121.049 120.200 0.014 0.000 2.442 280 E HA 0.063 4.431 4.350 0.030 0.000 0.195 280 E C 0.735 177.349 176.600 0.024 0.000 1.030 280 E CA 0.363 56.773 56.400 0.016 0.000 0.869 280 E CB 0.073 29.782 29.700 0.015 0.000 0.857 280 E HN 0.668 nan 8.360 nan 0.000 0.505 281 K N 1.885 122.303 120.400 0.031 0.000 2.138 281 K HA 0.173 4.511 4.320 0.030 0.000 0.251 281 K C -2.209 174.415 176.600 0.041 0.000 1.015 281 K CA -1.553 54.759 56.287 0.041 0.000 0.917 281 K CB 0.178 32.709 32.500 0.052 0.000 1.021 281 K HN -0.052 nan 8.250 nan 0.000 0.485 282 P HA -0.069 nan 4.420 nan 0.000 0.272 282 P C 0.808 178.137 177.300 0.047 0.000 1.223 282 P CA -0.288 62.838 63.100 0.043 0.000 0.784 282 P CB 0.630 32.356 31.700 0.045 0.000 0.923 283 L N 2.973 124.221 121.223 0.041 0.000 2.077 283 L HA -0.284 4.074 4.340 0.030 0.000 0.231 283 L C 2.277 179.180 176.870 0.055 0.000 1.100 283 L CA 2.134 57.000 54.840 0.043 0.000 0.819 283 L CB -1.775 40.304 42.059 0.034 0.000 0.913 283 L HN 0.308 nan 8.230 nan 0.000 0.446 284 L N -0.479 120.777 121.223 0.055 0.000 2.012 284 L HA -0.230 4.128 4.340 0.030 0.000 0.210 284 L C 2.573 179.492 176.870 0.082 0.000 1.073 284 L CA 2.259 57.137 54.840 0.064 0.000 0.748 284 L CB -0.803 41.290 42.059 0.058 0.000 0.891 284 L HN 0.536 nan 8.230 nan 0.000 0.431 285 E N -1.745 118.506 120.200 0.085 0.000 2.385 285 E HA -0.103 4.264 4.350 0.030 0.000 0.194 285 E C 1.935 178.584 176.600 0.081 0.000 1.013 285 E CA 0.025 56.480 56.400 0.092 0.000 0.866 285 E CB -0.024 29.743 29.700 0.112 0.000 0.832 285 E HN 0.419 nan 8.360 nan 0.000 0.500 286 K N 1.353 121.793 120.400 0.067 0.000 2.032 286 K HA -0.207 4.131 4.320 0.030 0.000 0.218 286 K C 2.392 179.019 176.600 0.046 0.000 1.054 286 K CA 2.136 58.453 56.287 0.050 0.000 0.941 286 K CB -0.195 32.333 32.500 0.046 0.000 0.720 286 K HN 0.013 nan 8.250 nan 0.000 0.449 287 S N 0.301 116.040 115.700 0.066 0.000 2.378 287 S HA -0.258 4.230 4.470 0.030 0.000 0.221 287 S C 1.893 176.518 174.600 0.042 0.000 1.037 287 S CA 1.804 60.039 58.200 0.059 0.000 1.069 287 S CB -0.879 62.374 63.200 0.089 0.000 1.006 287 S HN 0.452 nan 8.310 nan 0.000 0.423 288 H N 0.760 119.811 119.070 -0.032 0.000 2.325 288 H HA -0.193 4.381 4.556 0.030 0.000 0.293 288 H C 2.439 177.689 175.328 -0.131 0.000 1.106 288 H CA 1.838 57.817 56.048 -0.116 0.000 1.247 288 H CB -0.995 28.613 29.762 -0.257 0.000 1.359 288 H HN 0.450 nan 8.280 nan 0.000 0.488 289 c N -0.142 118.362 118.600 -0.160 0.000 2.442 289 c HA -0.115 4.473 4.570 0.030 0.000 0.279 289 c C 2.927 176.944 174.090 -0.123 0.000 1.237 289 c CA 1.170 57.399 56.329 -0.167 0.000 1.722 289 c CB -1.386 41.106 42.510 -0.030 0.000 2.056 289 c HN 0.719 nan 8.230 nan 0.000 0.469 290 I N 1.381 121.926 120.570 -0.042 0.000 2.194 290 I HA -0.234 3.954 4.170 0.030 0.000 0.246 290 I C 2.606 178.728 176.117 0.009 0.000 1.093 290 I CA 1.854 63.162 61.300 0.014 0.000 1.355 290 I CB -0.567 37.461 38.000 0.046 0.000 1.046 290 I HN 0.464 nan 8.210 nan 0.000 0.413 291 A N -0.635 122.157 122.820 -0.047 0.000 2.239 291 A HA -0.134 4.204 4.320 0.030 0.000 0.209 291 A C 2.044 179.561 177.584 -0.113 0.000 1.171 291 A CA 1.078 53.083 52.037 -0.054 0.000 0.768 291 A CB -0.396 18.578 19.000 -0.042 0.000 0.790 291 A HN 0.491 nan 8.150 nan 0.000 0.478 292 E N -1.221 118.882 120.200 -0.161 0.000 2.539 292 E HA 0.187 4.555 4.350 0.030 0.000 0.215 292 E C 0.075 176.613 176.600 -0.103 0.000 0.965 292 E CA -0.239 56.058 56.400 -0.172 0.000 1.019 292 E CB 0.592 30.111 29.700 -0.302 0.000 1.059 292 E HN 0.251 nan 8.360 nan 0.000 0.496 293 V N 2.357 122.236 119.914 -0.058 0.000 2.928 293 V HA -0.100 4.037 4.120 0.030 0.000 0.307 293 V C -0.142 175.935 176.094 -0.029 0.000 1.105 293 V CA 0.296 62.589 62.300 -0.011 0.000 1.223 293 V CB 0.780 32.643 31.823 0.067 0.000 0.930 293 V HN 0.181 nan 8.190 nan 0.000 0.499 294 E N 4.619 124.810 120.200 -0.015 0.000 2.371 294 E HA 0.280 4.648 4.350 0.030 0.000 0.257 294 E C -0.054 176.529 176.600 -0.030 0.000 1.134 294 E CA -0.449 55.932 56.400 -0.032 0.000 0.919 294 E CB 0.073 29.763 29.700 -0.016 0.000 1.025 294 E HN 0.691 nan 8.360 nan 0.000 0.438 295 N N 1.877 120.540 118.700 -0.061 0.000 2.407 295 N HA -0.053 4.705 4.740 0.030 0.000 0.250 295 N C -0.166 175.337 175.510 -0.011 0.000 1.236 295 N CA 0.167 53.176 53.050 -0.067 0.000 0.879 295 N CB 0.375 38.809 38.487 -0.089 0.000 1.088 295 N HN 0.492 nan 8.380 nan 0.000 0.450 296 D N 0.792 121.209 120.400 0.027 0.000 2.440 296 D HA 0.140 4.797 4.640 0.030 0.000 0.269 296 D C -0.463 175.839 176.300 0.004 0.000 1.249 296 D CA -0.053 53.976 54.000 0.047 0.000 1.055 296 D CB 0.726 41.588 40.800 0.103 0.000 1.104 296 D HN 0.356 nan 8.370 nan 0.000 0.561 297 E N 0.011 120.212 120.200 0.000 0.000 2.166 297 E HA 0.261 4.629 4.350 0.030 0.000 0.275 297 E C -0.225 176.358 176.600 -0.029 0.000 0.941 297 E CA -0.570 55.816 56.400 -0.023 0.000 0.784 297 E CB 1.714 31.402 29.700 -0.021 0.000 1.115 297 E HN 0.387 nan 8.360 nan 0.000 0.399 298 M N 1.283 120.848 119.600 -0.058 0.000 2.240 298 M HA 0.269 4.767 4.480 0.030 0.000 0.333 298 M C -1.826 174.439 176.300 -0.059 0.000 1.110 298 M CA -1.145 54.112 55.300 -0.070 0.000 1.173 298 M CB 0.240 32.766 32.600 -0.124 0.000 1.458 298 M HN 0.124 nan 8.290 nan 0.000 0.458 299 P HA -0.177 nan 4.420 nan 0.000 0.217 299 P C 0.837 178.110 177.300 -0.045 0.000 1.148 299 P CA 2.724 65.801 63.100 -0.038 0.000 0.834 299 P CB -0.110 31.572 31.700 -0.030 0.000 0.783 300 A N -1.080 121.701 122.820 -0.065 0.000 3.408 300 A HA -0.306 4.032 4.320 0.030 0.000 0.269 300 A C 1.300 178.855 177.584 -0.049 0.000 1.124 300 A CA 1.846 53.846 52.037 -0.062 0.000 0.999 300 A CB -2.611 16.360 19.000 -0.050 0.000 1.067 300 A HN 0.431 nan 8.150 nan 0.000 0.815 301 D N -1.115 119.259 120.400 -0.043 0.000 2.440 301 D HA 0.395 5.053 4.640 0.030 0.000 0.216 301 D C 0.334 176.614 176.300 -0.034 0.000 1.150 301 D CA -0.206 53.776 54.000 -0.030 0.000 0.832 301 D CB -0.076 40.713 40.800 -0.018 0.000 0.992 301 D HN 0.590 nan 8.370 nan 0.000 0.502 302 L N 1.271 122.461 121.223 -0.055 0.000 2.416 302 L HA 0.344 4.702 4.340 0.030 0.000 0.272 302 L C -1.095 175.742 176.870 -0.055 0.000 1.161 302 L CA -1.471 53.329 54.840 -0.066 0.000 0.845 302 L CB 0.168 42.159 42.059 -0.114 0.000 1.119 302 L HN 0.028 nan 8.230 nan 0.000 0.464 303 P HA 0.114 nan 4.420 nan 0.000 0.336 303 P C -0.715 176.573 177.300 -0.019 0.000 1.435 303 P CA -0.410 62.680 63.100 -0.017 0.000 0.860 303 P CB 0.318 32.020 31.700 0.003 0.000 2.095 304 S N -1.692 114.017 115.700 0.015 0.000 2.547 304 S HA 0.306 4.794 4.470 0.030 0.000 0.281 304 S C 0.678 175.351 174.600 0.122 0.000 1.118 304 S CA -0.659 57.565 58.200 0.040 0.000 0.947 304 S CB 0.196 63.419 63.200 0.040 0.000 1.053 304 S HN 0.236 nan 8.310 nan 0.000 0.482 305 L N 3.436 124.769 121.223 0.184 0.000 2.450 305 L HA -0.016 4.341 4.340 0.030 0.000 0.224 305 L C 2.518 179.689 176.870 0.502 0.000 1.149 305 L CA 1.278 56.368 54.840 0.416 0.000 0.816 305 L CB -0.600 41.632 42.059 0.289 0.000 0.932 305 L HN 0.789 nan 8.230 nan 0.000 0.449 306 A N 0.066 122.997 122.820 0.186 0.000 1.970 306 A HA 0.049 4.387 4.320 0.030 0.000 0.216 306 A C 2.572 180.153 177.584 -0.005 0.000 1.170 306 A CA 1.198 53.161 52.037 -0.123 0.000 0.645 306 A CB -0.351 18.518 19.000 -0.218 0.000 0.816 306 A HN 0.348 nan 8.150 nan 0.000 0.447 307 A N 0.628 123.475 122.820 0.044 0.000 1.835 307 A HA -0.182 4.155 4.320 0.030 0.000 0.215 307 A C 1.725 179.314 177.584 0.009 0.000 1.199 307 A CA 2.016 54.070 52.037 0.028 0.000 0.615 307 A CB -0.809 18.205 19.000 0.023 0.000 0.838 307 A HN 0.435 nan 8.150 nan 0.000 0.444 308 D N -1.555 118.822 120.400 -0.039 0.000 2.224 308 D HA 0.011 4.668 4.640 0.030 0.000 0.205 308 D C 1.066 177.136 176.300 -0.384 0.000 0.965 308 D CA 1.008 54.857 54.000 -0.251 0.000 0.852 308 D CB -0.127 40.409 40.800 -0.441 0.000 0.947 308 D HN 0.507 nan 8.370 nan 0.000 0.494 309 F N -0.980 119.091 119.950 0.202 0.000 2.678 309 F HA 0.217 4.763 4.527 0.031 0.000 0.305 309 F C 1.479 177.397 175.800 0.197 0.000 1.090 309 F CA -0.033 58.144 58.000 0.294 0.000 1.272 309 F CB 0.771 39.971 39.000 0.333 0.000 1.060 309 F HN -0.168 nan 8.300 nan 0.000 0.576 310 V N -2.342 117.676 119.914 0.174 0.000 3.368 310 V HA 0.105 4.242 4.120 0.030 0.000 0.255 310 V C 1.146 177.290 176.094 0.084 0.000 1.466 310 V CA 0.250 62.617 62.300 0.113 0.000 1.095 310 V CB 0.531 32.267 31.823 -0.145 0.000 0.899 310 V HN -0.054 nan 8.190 nan 0.000 0.440 311 E N 1.605 121.851 120.200 0.077 0.000 3.262 311 E HA 0.187 4.555 4.350 0.030 0.000 0.485 311 E C 0.929 177.651 176.600 0.204 0.000 0.288 311 E CA 1.036 57.529 56.400 0.155 0.000 2.824 311 E CB -0.338 29.429 29.700 0.111 0.000 2.232 311 E HN 0.486 nan 8.360 nan 0.000 0.424 312 S N 1.315 117.107 115.700 0.154 0.000 4.002 312 S HA -0.200 4.288 4.470 0.030 0.000 0.478 312 S C 0.650 175.352 174.600 0.171 0.000 1.092 312 S CA 0.203 58.481 58.200 0.130 0.000 0.838 312 S CB 0.060 63.294 63.200 0.056 0.000 0.749 312 S HN 0.256 nan 8.310 nan 0.000 0.453 313 K N 1.420 121.934 120.400 0.190 0.000 2.643 313 K HA -0.031 4.307 4.320 0.030 0.000 0.193 313 K C 0.285 176.948 176.600 0.105 0.000 1.027 313 K CA 0.446 56.854 56.287 0.201 0.000 1.033 313 K CB -0.330 32.262 32.500 0.152 0.000 0.827 313 K HN 0.672 nan 8.250 nan 0.000 0.500 314 D N 0.001 120.430 120.400 0.049 0.000 2.328 314 D HA -0.025 4.633 4.640 0.030 0.000 0.221 314 D C 1.534 177.767 176.300 -0.111 0.000 1.072 314 D CA 0.058 54.046 54.000 -0.020 0.000 0.850 314 D CB 0.487 41.274 40.800 -0.021 0.000 0.922 314 D HN -0.140 nan 8.370 nan 0.000 0.516 315 V N 0.692 120.530 119.914 -0.126 0.000 2.220 315 V HA -0.327 3.810 4.120 0.030 0.000 0.242 315 V C 2.624 178.470 176.094 -0.414 0.000 1.041 315 V CA 1.592 63.690 62.300 -0.337 0.000 0.990 315 V CB -0.697 30.812 31.823 -0.523 0.000 0.634 315 V HN 0.327 nan 8.190 nan 0.000 0.452 316 c N 0.046 118.494 118.600 -0.254 0.000 2.396 316 c HA -0.210 4.378 4.570 0.030 0.000 0.277 316 c C 2.755 176.777 174.090 -0.115 0.000 1.231 316 c CA 1.308 57.564 56.329 -0.121 0.000 1.775 316 c CB -1.226 41.281 42.510 -0.005 0.000 2.036 316 c HN 0.623 nan 8.230 nan 0.000 0.484 317 K N 1.318 121.652 120.400 -0.109 0.000 2.020 317 K HA -0.194 4.143 4.320 0.030 0.000 0.212 317 K C 1.661 178.175 176.600 -0.142 0.000 1.050 317 K CA 1.967 58.200 56.287 -0.090 0.000 0.929 317 K CB -0.583 31.881 32.500 -0.060 0.000 0.714 317 K HN 0.652 nan 8.250 nan 0.000 0.443 318 N N -0.812 117.744 118.700 -0.240 0.000 2.216 318 N HA -0.171 4.586 4.740 0.030 0.000 0.183 318 N C 1.741 177.031 175.510 -0.367 0.000 1.017 318 N CA 0.667 53.544 53.050 -0.287 0.000 0.861 318 N CB -0.164 38.120 38.487 -0.338 0.000 0.986 318 N HN 0.201 nan 8.380 nan 0.000 0.428 319 Y N 1.305 121.164 120.300 -0.734 0.000 2.574 319 Y HA 0.012 4.582 4.550 0.034 0.000 0.294 319 Y C 1.791 177.594 175.900 -0.161 0.000 1.142 319 Y CA 0.539 58.346 58.100 -0.488 0.000 1.314 319 Y CB -0.082 38.092 38.460 -0.478 0.000 0.991 319 Y HN 0.011 nan 8.280 nan 0.000 0.555 320 A N -1.064 121.600 122.820 -0.259 0.000 2.229 320 A HA 0.116 4.454 4.320 0.030 0.000 0.211 320 A C 1.890 179.381 177.584 -0.155 0.000 1.193 320 A CA 0.592 52.482 52.037 -0.246 0.000 0.879 320 A CB -0.288 18.630 19.000 -0.137 0.000 0.911 320 A HN 0.376 nan 8.150 nan 0.000 0.492 321 E N 0.449 120.581 120.200 -0.114 0.000 2.153 321 E HA 0.066 4.434 4.350 0.030 0.000 0.194 321 E C 0.424 176.999 176.600 -0.042 0.000 0.988 321 E CA 1.382 57.747 56.400 -0.058 0.000 0.811 321 E CB -0.047 29.632 29.700 -0.034 0.000 0.746 321 E HN 0.576 nan 8.360 nan 0.000 0.466 322 A N -0.362 122.426 122.820 -0.053 0.000 2.480 322 A HA 0.209 4.546 4.320 0.030 0.000 0.302 322 A C 0.229 177.801 177.584 -0.020 0.000 1.151 322 A CA -0.443 51.584 52.037 -0.017 0.000 0.907 322 A CB 0.254 19.286 19.000 0.053 0.000 1.487 322 A HN 0.066 nan 8.150 nan 0.000 0.396 323 K N 0.426 120.718 120.400 -0.180 0.000 2.052 323 K HA -0.234 4.104 4.320 0.030 0.000 0.215 323 K C 1.022 177.682 176.600 0.101 0.000 1.053 323 K CA 2.293 58.399 56.287 -0.302 0.000 0.934 323 K CB 0.026 32.295 32.500 -0.385 0.000 0.717 323 K HN 0.723 nan 8.250 nan 0.000 0.450 324 D N -0.030 120.435 120.400 0.108 0.000 2.117 324 D HA -0.106 4.552 4.640 0.030 0.000 0.198 324 D C 2.015 178.451 176.300 0.227 0.000 0.982 324 D CA 0.916 55.022 54.000 0.177 0.000 0.828 324 D CB -0.186 40.695 40.800 0.135 0.000 0.967 324 D HN -0.038 nan 8.370 nan 0.000 0.464 325 V N 1.164 121.210 119.914 0.219 0.000 2.261 325 V HA -0.244 3.894 4.120 0.030 0.000 0.246 325 V C 2.230 178.452 176.094 0.214 0.000 1.047 325 V CA 1.384 63.830 62.300 0.243 0.000 1.015 325 V CB -0.676 31.279 31.823 0.219 0.000 0.642 325 V HN 0.065 nan 8.190 nan 0.000 0.446 326 F N 0.411 120.455 119.950 0.155 0.000 2.043 326 F HA -0.246 4.299 4.527 0.029 0.000 0.297 326 F C 2.168 178.174 175.800 0.343 0.000 1.121 326 F CA 1.826 59.971 58.000 0.241 0.000 1.199 326 F CB -0.534 38.658 39.000 0.321 0.000 0.968 326 F HN -0.007 nan 8.300 nan 0.000 0.478 327 L N -0.228 121.224 121.223 0.380 0.000 2.127 327 L HA -0.204 4.154 4.340 0.030 0.000 0.211 327 L C 2.657 179.645 176.870 0.198 0.000 1.089 327 L CA 1.363 56.378 54.840 0.292 0.000 0.757 327 L CB -1.312 40.962 42.059 0.358 0.000 0.899 327 L HN 0.404 nan 8.230 nan 0.000 0.434 328 G N -0.733 108.185 108.800 0.195 0.000 2.453 328 G HA2 -0.287 3.690 3.960 0.030 0.000 0.215 328 G HA3 -0.287 3.690 3.960 0.030 0.000 0.215 328 G C 1.565 176.556 174.900 0.152 0.000 1.201 328 G CA 0.675 45.918 45.100 0.239 0.000 0.784 328 G HN 0.184 nan 8.290 nan 0.000 0.545 329 M N -0.432 119.068 119.600 -0.165 0.000 2.143 329 M HA -0.087 4.411 4.480 0.030 0.000 0.258 329 M C 2.318 178.577 176.300 -0.067 0.000 1.071 329 M CA 1.380 56.503 55.300 -0.295 0.000 1.088 329 M CB -0.419 31.952 32.600 -0.382 0.000 1.360 329 M HN 0.297 nan 8.290 nan 0.000 0.404 330 F N 1.078 120.805 119.950 -0.372 0.000 2.069 330 F HA -0.230 4.311 4.527 0.024 0.000 0.298 330 F C 1.943 177.482 175.800 -0.434 0.000 1.113 330 F CA 1.644 59.147 58.000 -0.828 0.000 1.214 330 F CB -0.446 38.071 39.000 -0.805 0.000 0.978 330 F HN -0.039 nan 8.300 nan 0.000 0.474 331 L N -0.917 120.184 121.223 -0.204 0.000 1.970 331 L HA -0.281 4.076 4.340 0.030 0.000 0.212 331 L C 2.511 179.295 176.870 -0.143 0.000 1.071 331 L CA 1.940 56.660 54.840 -0.200 0.000 0.751 331 L CB -1.032 41.017 42.059 -0.017 0.000 0.889 331 L HN 0.337 nan 8.230 nan 0.000 0.432 332 Y N 1.057 121.315 120.300 -0.070 0.000 2.040 332 Y HA -0.365 4.204 4.550 0.031 0.000 0.275 332 Y C 2.572 178.419 175.900 -0.088 0.000 1.171 332 Y CA 2.043 60.150 58.100 0.013 0.000 1.123 332 Y CB -0.482 38.148 38.460 0.284 0.000 0.963 332 Y HN 0.182 nan 8.280 nan 0.000 0.493 333 E N -0.583 119.336 120.200 -0.469 0.000 2.049 333 E HA -0.273 4.095 4.350 0.030 0.000 0.198 333 E C 2.213 178.496 176.600 -0.528 0.000 1.007 333 E CA 1.891 57.940 56.400 -0.586 0.000 0.809 333 E CB -1.099 28.407 29.700 -0.323 0.000 0.749 333 E HN 0.677 nan 8.360 nan 0.000 0.450 334 Y N 0.736 120.625 120.300 -0.684 0.000 2.352 334 Y HA -0.094 4.471 4.550 0.025 0.000 0.292 334 Y C 2.181 177.842 175.900 -0.399 0.000 1.136 334 Y CA 0.920 58.655 58.100 -0.608 0.000 1.227 334 Y CB -0.321 37.567 38.460 -0.955 0.000 0.991 334 Y HN 0.034 nan 8.280 nan 0.000 0.545 335 A N 0.899 123.609 122.820 -0.184 0.000 1.873 335 A HA -0.176 4.162 4.320 0.030 0.000 0.215 335 A C 2.315 179.780 177.584 -0.197 0.000 1.186 335 A CA 1.683 53.626 52.037 -0.156 0.000 0.616 335 A CB -0.602 18.311 19.000 -0.145 0.000 0.823 335 A HN 0.544 nan 8.150 nan 0.000 0.442 336 R N -0.508 119.825 120.500 -0.279 0.000 2.189 336 R HA -0.003 4.355 4.340 0.030 0.000 0.218 336 R C 1.341 177.448 176.300 -0.321 0.000 1.074 336 R CA 1.282 57.218 56.100 -0.274 0.000 0.991 336 R CB -0.300 29.814 30.300 -0.311 0.000 0.883 336 R HN 0.411 nan 8.270 nan 0.000 0.457 337 R N 0.227 120.470 120.500 -0.428 0.000 2.317 337 R HA 0.150 4.508 4.340 0.030 0.000 0.208 337 R C -0.163 175.548 176.300 -0.981 0.000 0.914 337 R CA 0.206 55.927 56.100 -0.631 0.000 1.060 337 R CB 0.293 30.165 30.300 -0.714 0.000 1.015 337 R HN 0.306 nan 8.270 nan 0.000 0.498 338 H N -0.830 118.026 119.070 -0.357 0.000 2.490 338 H HA 0.176 4.753 4.556 0.035 0.000 0.230 338 H C -2.254 172.922 175.328 -0.253 0.000 1.417 338 H CA -1.900 53.903 56.048 -0.410 0.000 1.449 338 H CB 1.576 30.895 29.762 -0.738 0.000 1.649 338 H HN -0.077 nan 8.280 nan 0.000 0.519 339 P HA -0.091 nan 4.420 nan 0.000 0.233 339 P C 1.216 178.493 177.300 -0.039 0.000 1.167 339 P CA 0.891 63.933 63.100 -0.097 0.000 0.770 339 P CB 0.397 32.031 31.700 -0.110 0.000 0.837 340 D N -2.922 117.491 120.400 0.021 0.000 2.348 340 D HA -0.090 4.567 4.640 0.030 0.000 0.211 340 D C 0.283 176.725 176.300 0.236 0.000 0.998 340 D CA 0.331 54.392 54.000 0.101 0.000 0.873 340 D CB -0.675 40.204 40.800 0.131 0.000 0.925 340 D HN 0.100 nan 8.370 nan 0.000 0.524 341 Y N 1.963 122.242 120.300 -0.035 0.000 2.301 341 Y HA 0.322 4.893 4.550 0.033 0.000 0.325 341 Y C 1.201 177.031 175.900 -0.116 0.000 1.203 341 Y CA -2.167 55.879 58.100 -0.091 0.000 1.255 341 Y CB 1.169 39.550 38.460 -0.132 0.000 1.232 341 Y HN -0.129 nan 8.280 nan 0.000 0.501 342 S N 0.171 115.863 115.700 -0.014 0.000 2.592 342 S HA 0.245 4.733 4.470 0.030 0.000 0.271 342 S C 0.960 175.514 174.600 -0.077 0.000 1.326 342 S CA -0.795 57.367 58.200 -0.062 0.000 1.024 342 S CB 1.174 64.325 63.200 -0.082 0.000 0.921 342 S HN 0.417 nan 8.310 nan 0.000 0.527 343 V N 2.000 121.857 119.914 -0.094 0.000 2.343 343 V HA -0.187 3.951 4.120 0.030 0.000 0.247 343 V C 2.520 178.563 176.094 -0.085 0.000 1.051 343 V CA 1.984 64.204 62.300 -0.133 0.000 1.036 343 V CB -1.239 30.459 31.823 -0.208 0.000 0.654 343 V HN 0.906 nan 8.190 nan 0.000 0.451 344 V N -1.533 118.355 119.914 -0.043 0.000 2.626 344 V HA -0.158 3.980 4.120 0.030 0.000 0.252 344 V C 2.331 178.354 176.094 -0.119 0.000 1.067 344 V CA 1.634 63.899 62.300 -0.058 0.000 1.081 344 V CB -0.907 30.884 31.823 -0.053 0.000 0.686 344 V HN 0.455 nan 8.190 nan 0.000 0.468 345 L N 0.310 121.445 121.223 -0.147 0.000 2.005 345 L HA -0.025 4.333 4.340 0.030 0.000 0.207 345 L C 2.322 179.039 176.870 -0.254 0.000 1.072 345 L CA 1.842 56.550 54.840 -0.220 0.000 0.744 345 L CB -0.791 41.095 42.059 -0.287 0.000 0.895 345 L HN 0.252 nan 8.230 nan 0.000 0.433 346 L N -1.103 119.996 121.223 -0.207 0.000 2.042 346 L HA -0.265 4.093 4.340 0.030 0.000 0.210 346 L C 2.552 179.265 176.870 -0.262 0.000 1.076 346 L CA 1.462 56.138 54.840 -0.274 0.000 0.749 346 L CB -0.596 41.336 42.059 -0.211 0.000 0.893 346 L HN 0.329 nan 8.230 nan 0.000 0.432 347 L N -0.893 120.226 121.223 -0.174 0.000 2.093 347 L HA -0.184 4.174 4.340 0.030 0.000 0.208 347 L C 2.714 179.499 176.870 -0.142 0.000 1.085 347 L CA 1.048 55.816 54.840 -0.119 0.000 0.755 347 L CB -0.509 41.508 42.059 -0.070 0.000 0.904 347 L HN 0.164 nan 8.230 nan 0.000 0.435 348 R N 0.117 120.511 120.500 -0.176 0.000 2.200 348 R HA -0.133 4.225 4.340 0.030 0.000 0.234 348 R C 2.114 178.258 176.300 -0.259 0.000 1.127 348 R CA 1.105 57.095 56.100 -0.183 0.000 0.989 348 R CB -0.067 30.122 30.300 -0.185 0.000 0.869 348 R HN 0.362 nan 8.270 nan 0.000 0.459 349 L N -1.228 119.753 121.223 -0.403 0.000 2.071 349 L HA 0.056 4.414 4.340 0.030 0.000 0.201 349 L C 2.579 179.245 176.870 -0.340 0.000 1.076 349 L CA 0.853 55.282 54.840 -0.685 0.000 0.755 349 L CB -0.656 40.702 42.059 -1.169 0.000 0.915 349 L HN 0.163 nan 8.230 nan 0.000 0.445 350 A N 0.610 123.352 122.820 -0.130 0.000 1.958 350 A HA -0.312 4.026 4.320 0.030 0.000 0.221 350 A C 2.267 179.868 177.584 0.028 0.000 1.178 350 A CA 2.398 54.484 52.037 0.082 0.000 0.642 350 A CB -0.489 18.581 19.000 0.117 0.000 0.816 350 A HN 0.276 nan 8.150 nan 0.000 0.453 351 K N -0.511 119.875 120.400 -0.022 0.000 2.002 351 K HA -0.085 4.253 4.320 0.030 0.000 0.209 351 K C 1.996 178.601 176.600 0.008 0.000 1.048 351 K CA 2.386 58.671 56.287 -0.004 0.000 0.930 351 K CB -1.200 31.284 32.500 -0.025 0.000 0.714 351 K HN 0.352 nan 8.250 nan 0.000 0.438 352 T N 0.240 114.796 114.554 0.004 0.000 2.699 352 T HA -0.183 4.185 4.350 0.030 0.000 0.268 352 T C 1.482 176.269 174.700 0.146 0.000 1.036 352 T CA 1.744 63.894 62.100 0.084 0.000 1.147 352 T CB -0.590 68.362 68.868 0.140 0.000 0.862 352 T HN 0.342 nan 8.240 nan 0.000 0.446 353 Y N 1.830 122.122 120.300 -0.013 0.000 2.145 353 Y HA -0.119 4.446 4.550 0.026 0.000 0.286 353 Y C 2.553 178.333 175.900 -0.199 0.000 1.145 353 Y CA 1.804 59.826 58.100 -0.131 0.000 1.148 353 Y CB -0.365 37.763 38.460 -0.554 0.000 0.981 353 Y HN 0.296 nan 8.280 nan 0.000 0.507 354 E N -0.881 119.223 120.200 -0.160 0.000 2.051 354 E HA -0.210 4.158 4.350 0.030 0.000 0.192 354 E C 1.966 178.471 176.600 -0.159 0.000 0.991 354 E CA 2.029 58.304 56.400 -0.208 0.000 0.799 354 E CB -0.276 29.431 29.700 0.012 0.000 0.748 354 E HN 0.472 nan 8.360 nan 0.000 0.449 355 T N 0.459 114.976 114.554 -0.062 0.000 2.699 355 T HA -0.167 4.201 4.350 0.030 0.000 0.268 355 T C 1.823 176.487 174.700 -0.060 0.000 1.036 355 T CA 1.879 63.962 62.100 -0.028 0.000 1.147 355 T CB -0.524 68.346 68.868 0.003 0.000 0.862 355 T HN 0.275 nan 8.240 nan 0.000 0.446 356 T N 2.494 116.994 114.554 -0.091 0.000 2.564 356 T HA 0.002 4.370 4.350 0.030 0.000 0.259 356 T C 1.961 176.560 174.700 -0.169 0.000 1.087 356 T CA 1.044 63.089 62.100 -0.093 0.000 1.184 356 T CB -0.695 68.137 68.868 -0.059 0.000 0.864 356 T HN 0.247 nan 8.240 nan 0.000 0.403 357 L N 1.086 122.075 121.223 -0.389 0.000 2.302 357 L HA -0.213 4.145 4.340 0.030 0.000 0.218 357 L C 2.716 179.474 176.870 -0.187 0.000 1.100 357 L CA 1.192 55.760 54.840 -0.454 0.000 0.774 357 L CB -0.693 40.734 42.059 -1.053 0.000 0.896 357 L HN 0.305 nan 8.230 nan 0.000 0.439 358 E N 0.995 121.132 120.200 -0.105 0.000 2.011 358 E HA -0.141 4.227 4.350 0.030 0.000 0.191 358 E C 1.534 178.144 176.600 0.017 0.000 0.980 358 E CA 1.071 57.486 56.400 0.025 0.000 0.814 358 E CB -0.199 29.525 29.700 0.040 0.000 0.775 358 E HN 0.549 nan 8.360 nan 0.000 0.454 359 K N -0.075 120.326 120.400 0.002 0.000 3.225 359 K HA 0.156 4.494 4.320 0.030 0.000 0.282 359 K C 0.837 177.444 176.600 0.012 0.000 1.060 359 K CA 0.078 56.371 56.287 0.010 0.000 1.186 359 K CB -0.198 32.307 32.500 0.009 0.000 1.214 359 K HN -0.027 nan 8.250 nan 0.000 0.428 360 c N -1.496 117.115 118.600 0.019 0.000 3.193 360 c HA 0.047 4.635 4.570 0.030 0.000 0.411 360 c C 1.787 175.914 174.090 0.062 0.000 1.682 360 c CA -0.268 56.086 56.329 0.041 0.000 2.131 360 c CB -0.078 42.471 42.510 0.065 0.000 2.471 360 c HN 0.777 nan 8.230 nan 0.000 0.546 361 c N 2.454 121.095 118.600 0.068 0.000 2.479 361 c HA 0.240 4.828 4.570 0.030 0.000 0.292 361 c C 1.993 176.117 174.090 0.057 0.000 1.497 361 c CA 1.295 57.672 56.329 0.080 0.000 1.714 361 c CB -2.273 40.284 42.510 0.079 0.000 1.610 361 c HN 0.699 nan 8.230 nan 0.000 0.589 362 A N -0.952 121.895 122.820 0.044 0.000 2.508 362 A HA 0.696 5.034 4.320 0.030 0.000 0.250 362 A C 0.867 178.465 177.584 0.024 0.000 1.208 362 A CA 0.613 52.669 52.037 0.032 0.000 0.960 362 A CB 0.029 19.047 19.000 0.030 0.000 1.099 362 A HN 0.462 nan 8.150 nan 0.000 0.542 363 A N -1.088 121.747 122.820 0.025 0.000 2.282 363 A HA 0.815 5.153 4.320 0.030 0.000 0.324 363 A C 1.369 178.960 177.584 0.012 0.000 1.119 363 A CA 0.073 52.119 52.037 0.016 0.000 0.880 363 A CB -0.023 18.984 19.000 0.012 0.000 1.294 363 A HN 1.313 nan 8.150 nan 0.000 0.493 364 A N 0.240 123.063 122.820 0.005 0.000 2.947 364 A HA -0.173 4.165 4.320 0.030 0.000 0.212 364 A C 0.816 178.399 177.584 -0.002 0.000 0.963 364 A CA 2.268 54.305 52.037 -0.000 0.000 1.102 364 A CB -1.202 17.794 19.000 -0.006 0.000 0.676 364 A HN 0.943 nan 8.150 nan 0.000 0.518 365 D N -0.455 119.937 120.400 -0.013 0.000 2.365 365 D HA 0.426 5.084 4.640 0.030 0.000 0.237 365 D C -1.761 174.517 176.300 -0.037 0.000 1.190 365 D CA -1.788 52.200 54.000 -0.021 0.000 0.867 365 D CB 1.023 41.804 40.800 -0.032 0.000 1.050 365 D HN -0.015 nan 8.370 nan 0.000 0.491 366 P HA -0.205 nan 4.420 nan 0.000 0.213 366 P C 1.234 178.325 177.300 -0.348 0.000 1.170 366 P CA 0.993 64.076 63.100 -0.028 0.000 0.902 366 P CB -0.004 31.761 31.700 0.108 0.000 0.789 367 H N -0.494 118.283 119.070 -0.489 0.000 2.518 367 H HA -0.147 4.426 4.556 0.030 0.000 0.294 367 H C 1.597 176.583 175.328 -0.571 0.000 1.083 367 H CA 1.515 57.091 56.048 -0.787 0.000 1.264 367 H CB -0.003 29.550 29.762 -0.348 0.000 1.370 367 H HN 0.101 nan 8.280 nan 0.000 0.560 368 E N -0.947 119.149 120.200 -0.173 0.000 2.447 368 E HA 0.003 4.371 4.350 0.030 0.000 0.195 368 E C 2.219 178.746 176.600 -0.121 0.000 1.028 368 E CA 0.279 56.620 56.400 -0.099 0.000 0.876 368 E CB -0.374 29.290 29.700 -0.061 0.000 0.885 368 E HN 0.336 nan 8.360 nan 0.000 0.500 369 c N -0.045 118.454 118.600 -0.169 0.000 2.668 369 c HA 0.037 4.625 4.570 0.030 0.000 0.283 369 c C 1.991 176.055 174.090 -0.043 0.000 1.317 369 c CA 0.593 56.874 56.329 -0.079 0.000 1.696 369 c CB -1.061 41.432 42.510 -0.028 0.000 2.138 369 c HN 0.633 nan 8.230 nan 0.000 0.520 370 Y N 1.328 121.593 120.300 -0.059 0.000 2.465 370 Y HA 0.552 5.118 4.550 0.026 0.000 0.311 370 Y C 1.619 177.469 175.900 -0.084 0.000 1.204 370 Y CA 0.120 58.174 58.100 -0.076 0.000 1.272 370 Y CB -1.386 37.007 38.460 -0.111 0.000 1.083 370 Y HN 0.238 nan 8.280 nan 0.000 0.508 371 A N 0.818 123.554 122.820 -0.139 0.000 1.898 371 A HA -0.050 4.288 4.320 0.030 0.000 0.216 371 A C 1.185 178.748 177.584 -0.035 0.000 1.181 371 A CA 1.083 53.048 52.037 -0.119 0.000 0.620 371 A CB -0.179 18.772 19.000 -0.083 0.000 0.819 371 A HN 0.218 nan 8.150 nan 0.000 0.442 372 K N -0.332 120.062 120.400 -0.009 0.000 2.682 372 K HA 0.491 4.828 4.320 0.030 0.000 0.189 372 K C 0.346 176.951 176.600 0.009 0.000 1.062 372 K CA -0.046 56.237 56.287 -0.006 0.000 0.997 372 K CB 0.866 33.365 32.500 -0.002 0.000 1.405 372 K HN 0.106 nan 8.250 nan 0.000 0.588 373 V N 0.675 120.605 119.914 0.026 0.000 2.374 373 V HA -0.061 4.077 4.120 0.030 0.000 0.241 373 V C 1.409 177.310 176.094 -0.321 0.000 1.034 373 V CA 0.866 63.144 62.300 -0.036 0.000 1.037 373 V CB -0.505 31.383 31.823 0.108 0.000 0.682 373 V HN 0.434 nan 8.190 nan 0.000 0.463 374 F N 1.205 120.775 119.950 -0.634 0.000 2.323 374 F HA -0.176 4.365 4.527 0.023 0.000 0.301 374 F C 2.115 177.737 175.800 -0.296 0.000 1.060 374 F CA 1.024 58.621 58.000 -0.671 0.000 1.398 374 F CB -0.833 38.044 39.000 -0.204 0.000 1.075 374 F HN 0.286 nan 8.300 nan 0.000 0.540 375 D N -0.469 119.927 120.400 -0.006 0.000 2.305 375 D HA -0.065 4.593 4.640 0.030 0.000 0.206 375 D C 1.725 178.057 176.300 0.053 0.000 0.974 375 D CA 0.561 54.588 54.000 0.045 0.000 0.871 375 D CB -0.036 40.788 40.800 0.040 0.000 0.947 375 D HN 0.422 nan 8.370 nan 0.000 0.516 376 E N -0.252 119.962 120.200 0.022 0.000 2.482 376 E HA -0.049 4.319 4.350 0.030 0.000 0.196 376 E C 1.301 178.075 176.600 0.289 0.000 1.047 376 E CA 0.161 56.632 56.400 0.118 0.000 0.869 376 E CB 0.181 29.953 29.700 0.120 0.000 0.836 376 E HN 0.189 nan 8.360 nan 0.000 0.520 377 F N 1.280 121.258 119.950 0.046 0.000 2.179 377 F HA 0.044 4.577 4.527 0.010 0.000 0.292 377 F C 2.233 178.023 175.800 -0.017 0.000 1.089 377 F CA 0.452 58.444 58.000 -0.012 0.000 1.295 377 F CB -0.867 38.110 39.000 -0.038 0.000 1.041 377 F HN -0.120 nan 8.300 nan 0.000 0.487 378 K N 0.805 121.341 120.400 0.227 0.000 2.081 378 K HA -0.245 4.093 4.320 0.030 0.000 0.222 378 K C -0.689 175.948 176.600 0.062 0.000 1.055 378 K CA 2.783 59.146 56.287 0.126 0.000 0.954 378 K CB -1.309 31.252 32.500 0.102 0.000 0.732 378 K HN 0.140 nan 8.250 nan 0.000 0.458 379 P HA -0.152 nan 4.420 nan 0.000 0.219 379 P C 1.338 178.627 177.300 -0.019 0.000 1.150 379 P CA 1.047 64.158 63.100 0.018 0.000 0.814 379 P CB 0.050 31.767 31.700 0.027 0.000 0.787 380 L N -0.340 120.871 121.223 -0.021 0.000 2.083 380 L HA -0.099 4.259 4.340 0.030 0.000 0.209 380 L C 2.663 179.428 176.870 -0.175 0.000 1.083 380 L CA 1.579 56.363 54.840 -0.094 0.000 0.752 380 L CB -1.401 40.587 42.059 -0.118 0.000 0.899 380 L HN -0.165 nan 8.230 nan 0.000 0.433 381 V N -1.252 118.552 119.914 -0.183 0.000 2.788 381 V HA -0.113 4.025 4.120 0.030 0.000 0.251 381 V C 2.297 178.266 176.094 -0.210 0.000 1.068 381 V CA 0.868 62.977 62.300 -0.318 0.000 1.090 381 V CB -0.361 31.299 31.823 -0.272 0.000 0.710 381 V HN 0.433 nan 8.190 nan 0.000 0.467 382 E N 0.016 120.155 120.200 -0.103 0.000 2.072 382 E HA -0.197 4.171 4.350 0.030 0.000 0.190 382 E C 2.206 178.769 176.600 -0.062 0.000 0.982 382 E CA 0.890 57.253 56.400 -0.062 0.000 0.803 382 E CB -0.097 29.592 29.700 -0.019 0.000 0.755 382 E HN 0.574 nan 8.360 nan 0.000 0.453 383 E N 0.933 121.095 120.200 -0.063 0.000 2.033 383 E HA -0.175 4.193 4.350 0.030 0.000 0.199 383 E C -0.589 175.979 176.600 -0.053 0.000 1.011 383 E CA 1.719 58.090 56.400 -0.048 0.000 0.815 383 E CB -0.890 28.783 29.700 -0.045 0.000 0.755 383 E HN 0.151 nan 8.360 nan 0.000 0.451 384 P HA -0.154 nan 4.420 nan 0.000 0.217 384 P C 1.402 178.661 177.300 -0.069 0.000 1.150 384 P CA 1.465 64.516 63.100 -0.083 0.000 0.832 384 P CB -0.194 31.425 31.700 -0.135 0.000 0.787 385 Q N -0.275 119.473 119.800 -0.088 0.000 2.050 385 Q HA -0.154 4.204 4.340 0.030 0.000 0.202 385 Q C 2.215 178.201 176.000 -0.023 0.000 0.980 385 Q CA 1.443 57.212 55.803 -0.057 0.000 0.840 385 Q CB -0.628 28.073 28.738 -0.062 0.000 0.898 385 Q HN 0.272 nan 8.270 nan 0.000 0.424 386 N N 0.823 119.512 118.700 -0.019 0.000 2.069 386 N HA -0.135 4.623 4.740 0.030 0.000 0.191 386 N C 1.810 177.328 175.510 0.012 0.000 1.031 386 N CA 1.027 54.077 53.050 0.000 0.000 0.852 386 N CB -0.342 38.145 38.487 0.001 0.000 1.018 386 N HN 0.131 nan 8.380 nan 0.000 0.423 387 L N 0.382 121.613 121.223 0.013 0.000 1.990 387 L HA -0.201 4.157 4.340 0.030 0.000 0.213 387 L C 2.015 178.909 176.870 0.040 0.000 1.072 387 L CA 0.890 55.750 54.840 0.034 0.000 0.755 387 L CB -0.574 41.507 42.059 0.036 0.000 0.889 387 L HN 0.212 nan 8.230 nan 0.000 0.432 388 I N 0.341 120.924 120.570 0.021 0.000 2.087 388 I HA -0.392 3.796 4.170 0.030 0.000 0.240 388 I C 2.641 178.770 176.117 0.021 0.000 1.054 388 I CA 1.907 63.218 61.300 0.018 0.000 1.311 388 I CB -0.961 37.039 38.000 0.000 0.000 1.024 388 I HN 0.393 nan 8.210 nan 0.000 0.402 389 K N 0.671 121.082 120.400 0.018 0.000 2.001 389 K HA -0.242 4.096 4.320 0.030 0.000 0.208 389 K C 2.217 178.838 176.600 0.034 0.000 1.048 389 K CA 1.602 57.902 56.287 0.022 0.000 0.932 389 K CB -0.204 32.308 32.500 0.019 0.000 0.715 389 K HN 0.243 nan 8.250 nan 0.000 0.437 390 Q N 0.183 120.007 119.800 0.040 0.000 2.152 390 Q HA -0.192 4.166 4.340 0.030 0.000 0.206 390 Q C 1.766 177.815 176.000 0.082 0.000 0.985 390 Q CA 1.805 57.640 55.803 0.052 0.000 0.863 390 Q CB 0.058 28.825 28.738 0.048 0.000 0.904 390 Q HN 0.399 nan 8.270 nan 0.000 0.422 391 N N -0.756 118.003 118.700 0.098 0.000 2.220 391 N HA -0.084 4.674 4.740 0.030 0.000 0.182 391 N C 1.803 177.357 175.510 0.074 0.000 1.023 391 N CA 1.041 54.191 53.050 0.168 0.000 0.856 391 N CB -0.380 38.241 38.487 0.223 0.000 0.997 391 N HN 0.282 nan 8.380 nan 0.000 0.429 392 c N 1.546 120.151 118.600 0.008 0.000 2.411 392 c HA -0.079 4.509 4.570 0.030 0.000 0.279 392 c C 2.640 176.745 174.090 0.024 0.000 1.288 392 c CA 0.455 56.756 56.329 -0.047 0.000 1.764 392 c CB -0.930 41.552 42.510 -0.046 0.000 1.974 392 c HN 0.528 nan 8.230 nan 0.000 0.498 393 E N 0.394 120.615 120.200 0.035 0.000 2.023 393 E HA -0.254 4.114 4.350 0.030 0.000 0.196 393 E C 2.055 178.678 176.600 0.038 0.000 1.003 393 E CA 1.352 57.776 56.400 0.039 0.000 0.809 393 E CB -0.257 29.466 29.700 0.039 0.000 0.755 393 E HN 0.469 nan 8.360 nan 0.000 0.449 394 L N 0.700 121.961 121.223 0.063 0.000 2.042 394 L HA -0.174 4.184 4.340 0.030 0.000 0.210 394 L C 2.131 179.006 176.870 0.007 0.000 1.076 394 L CA 1.816 56.711 54.840 0.092 0.000 0.749 394 L CB -0.850 41.347 42.059 0.231 0.000 0.893 394 L HN 0.303 nan 8.230 nan 0.000 0.432 395 F N 0.025 119.739 119.950 -0.393 0.000 2.365 395 F HA -0.117 4.428 4.527 0.029 0.000 0.300 395 F C 2.220 177.850 175.800 -0.283 0.000 1.090 395 F CA 1.474 59.067 58.000 -0.679 0.000 1.408 395 F CB -0.164 38.165 39.000 -1.118 0.000 1.060 395 F HN 0.265 nan 8.300 nan 0.000 0.534 396 E N -0.336 119.809 120.200 -0.091 0.000 2.122 396 E HA -0.151 4.217 4.350 0.030 0.000 0.190 396 E C 2.065 178.580 176.600 -0.141 0.000 0.977 396 E CA 0.684 57.021 56.400 -0.105 0.000 0.820 396 E CB 0.033 29.743 29.700 0.016 0.000 0.770 396 E HN 0.593 nan 8.360 nan 0.000 0.462 397 Q N 0.266 120.012 119.800 -0.090 0.000 1.965 397 Q HA -0.050 4.308 4.340 0.030 0.000 0.200 397 Q C 1.052 177.003 176.000 -0.081 0.000 0.981 397 Q CA 0.955 56.723 55.803 -0.058 0.000 0.834 397 Q CB -0.004 28.726 28.738 -0.014 0.000 0.900 397 Q HN 0.155 nan 8.270 nan 0.000 0.426 398 L N -0.704 120.472 121.223 -0.078 0.000 2.469 398 L HA 0.462 4.820 4.340 0.030 0.000 0.253 398 L C 0.797 177.549 176.870 -0.197 0.000 1.143 398 L CA -0.794 54.008 54.840 -0.063 0.000 0.804 398 L CB 0.071 42.146 42.059 0.027 0.000 1.214 398 L HN 0.104 nan 8.230 nan 0.000 0.476 399 G N -0.972 107.744 108.800 -0.139 0.000 2.532 399 G HA2 0.146 4.123 3.960 0.030 0.000 0.291 399 G HA3 0.146 4.123 3.960 0.030 0.000 0.291 399 G C 0.478 175.250 174.900 -0.212 0.000 1.349 399 G CA -0.268 44.680 45.100 -0.253 0.000 1.038 399 G HN 0.845 nan 8.290 nan 0.000 0.518 400 E N -1.587 118.530 120.200 -0.139 0.000 2.160 400 E HA -0.217 4.151 4.350 0.030 0.000 0.195 400 E C 1.663 178.442 176.600 0.297 0.000 0.991 400 E CA 1.128 57.648 56.400 0.199 0.000 0.810 400 E CB -0.175 29.697 29.700 0.286 0.000 0.742 400 E HN 0.536 nan 8.360 nan 0.000 0.466 401 Y N 1.269 121.628 120.300 0.099 0.000 2.134 401 Y HA -0.047 4.521 4.550 0.031 0.000 0.283 401 Y C 2.006 177.961 175.900 0.092 0.000 1.108 401 Y CA 1.731 59.885 58.100 0.091 0.000 1.096 401 Y CB -0.238 38.256 38.460 0.057 0.000 1.005 401 Y HN -0.179 nan 8.280 nan 0.000 0.487 402 K N -0.578 119.834 120.400 0.020 0.000 2.173 402 K HA -0.252 4.086 4.320 0.030 0.000 0.207 402 K C 2.019 178.598 176.600 -0.035 0.000 1.046 402 K CA 1.859 58.099 56.287 -0.078 0.000 0.929 402 K CB -0.590 31.937 32.500 0.045 0.000 0.720 402 K HN 0.365 nan 8.250 nan 0.000 0.453 403 F N 2.184 122.082 119.950 -0.088 0.000 2.163 403 F HA -0.141 4.402 4.527 0.027 0.000 0.297 403 F C 2.114 177.897 175.800 -0.029 0.000 1.094 403 F CA 1.371 59.357 58.000 -0.024 0.000 1.290 403 F CB -0.194 38.851 39.000 0.074 0.000 1.017 403 F HN -0.014 nan 8.300 nan 0.000 0.483 404 Q N -0.021 119.698 119.800 -0.135 0.000 2.170 404 Q HA -0.209 4.149 4.340 0.030 0.000 0.203 404 Q C 1.657 177.495 176.000 -0.271 0.000 0.976 404 Q CA 1.686 57.355 55.803 -0.222 0.000 0.858 404 Q CB -0.324 28.371 28.738 -0.072 0.000 0.907 404 Q HN 0.440 nan 8.270 nan 0.000 0.433 405 N N 0.375 118.887 118.700 -0.313 0.000 2.270 405 N HA -0.063 4.695 4.740 0.030 0.000 0.181 405 N C 1.457 176.833 175.510 -0.222 0.000 1.016 405 N CA 1.145 54.030 53.050 -0.276 0.000 0.870 405 N CB -0.220 38.062 38.487 -0.341 0.000 0.979 405 N HN 0.228 nan 8.380 nan 0.000 0.431 406 A N 0.694 123.372 122.820 -0.237 0.000 1.930 406 A HA -0.015 4.323 4.320 0.030 0.000 0.217 406 A C 2.138 179.537 177.584 -0.307 0.000 1.175 406 A CA 0.839 52.746 52.037 -0.218 0.000 0.627 406 A CB -0.639 18.262 19.000 -0.164 0.000 0.815 406 A HN 0.199 nan 8.150 nan 0.000 0.443 407 L N 0.219 121.199 121.223 -0.405 0.000 2.056 407 L HA -0.137 4.221 4.340 0.030 0.000 0.207 407 L C 2.544 179.244 176.870 -0.283 0.000 1.078 407 L CA 1.218 55.804 54.840 -0.423 0.000 0.749 407 L CB -0.483 41.365 42.059 -0.351 0.000 0.901 407 L HN 0.573 nan 8.230 nan 0.000 0.433 408 L N -2.720 118.413 121.223 -0.151 0.000 2.313 408 L HA -0.013 4.344 4.340 0.030 0.000 0.214 408 L C 2.293 179.109 176.870 -0.090 0.000 1.119 408 L CA 1.080 55.888 54.840 -0.052 0.000 0.809 408 L CB -1.405 40.639 42.059 -0.024 0.000 0.933 408 L HN 0.016 nan 8.230 nan 0.000 0.449 409 V N 1.201 121.031 119.914 -0.141 0.000 2.515 409 V HA -0.206 3.932 4.120 0.030 0.000 0.250 409 V C 3.036 179.039 176.094 -0.153 0.000 1.058 409 V CA 2.016 64.245 62.300 -0.120 0.000 1.064 409 V CB -0.620 31.133 31.823 -0.116 0.000 0.675 409 V HN 0.546 nan 8.190 nan 0.000 0.461 410 R N -0.479 119.859 120.500 -0.270 0.000 2.070 410 R HA -0.161 4.197 4.340 0.030 0.000 0.227 410 R C 2.375 178.517 176.300 -0.265 0.000 1.147 410 R CA 2.001 57.888 56.100 -0.355 0.000 0.924 410 R CB -0.570 29.338 30.300 -0.654 0.000 0.827 410 R HN 0.427 nan 8.270 nan 0.000 0.431 411 Y N 0.953 121.214 120.300 -0.065 0.000 2.315 411 Y HA -0.125 4.441 4.550 0.027 0.000 0.288 411 Y C 2.449 178.312 175.900 -0.061 0.000 1.154 411 Y CA 1.524 59.591 58.100 -0.055 0.000 1.229 411 Y CB -0.824 37.598 38.460 -0.063 0.000 0.980 411 Y HN 0.197 nan 8.280 nan 0.000 0.540 412 T N -0.413 114.168 114.554 0.045 0.000 2.857 412 T HA -0.129 4.239 4.350 0.030 0.000 0.266 412 T C 1.828 176.484 174.700 -0.073 0.000 1.048 412 T CA 1.284 63.373 62.100 -0.017 0.000 1.139 412 T CB -0.086 68.765 68.868 -0.028 0.000 0.874 412 T HN 0.307 nan 8.240 nan 0.000 0.455 413 K N 0.900 121.264 120.400 -0.059 0.000 2.097 413 K HA 0.014 4.352 4.320 0.030 0.000 0.205 413 K C 2.401 178.973 176.600 -0.047 0.000 1.050 413 K CA 0.952 57.200 56.287 -0.065 0.000 0.938 413 K CB 0.027 32.498 32.500 -0.049 0.000 0.718 413 K HN 0.247 nan 8.250 nan 0.000 0.442 414 K N 0.449 120.850 120.400 0.000 0.000 2.001 414 K HA -0.066 4.271 4.320 0.030 0.000 0.208 414 K C 0.752 177.362 176.600 0.017 0.000 1.048 414 K CA 1.326 57.636 56.287 0.038 0.000 0.932 414 K CB 0.207 32.780 32.500 0.123 0.000 0.715 414 K HN 0.046 nan 8.250 nan 0.000 0.437 415 V N -1.002 118.917 119.914 0.008 0.000 2.383 415 V HA 0.232 4.370 4.120 0.030 0.000 0.261 415 V C -2.686 173.356 176.094 -0.086 0.000 0.987 415 V CA -1.595 60.696 62.300 -0.015 0.000 0.853 415 V CB 1.204 33.048 31.823 0.035 0.000 1.095 415 V HN -0.055 nan 8.190 nan 0.000 0.461 416 P HA 0.036 nan 4.420 nan 0.000 0.237 416 P C 1.158 178.306 177.300 -0.253 0.000 1.178 416 P CA 0.770 63.607 63.100 -0.438 0.000 0.766 416 P CB 0.279 31.241 31.700 -1.230 0.000 0.876 417 Q N -1.112 118.635 119.800 -0.088 0.000 2.378 417 Q HA 0.028 4.386 4.340 0.030 0.000 0.205 417 Q C 0.660 176.691 176.000 0.051 0.000 0.954 417 Q CA 0.418 56.248 55.803 0.045 0.000 0.901 417 Q CB -0.594 28.199 28.738 0.091 0.000 0.981 417 Q HN 0.110 nan 8.270 nan 0.000 0.483 418 V N 1.754 121.689 119.914 0.035 0.000 2.924 418 V HA 0.066 4.204 4.120 0.030 0.000 0.305 418 V C 0.510 176.623 176.094 0.031 0.000 1.073 418 V CA -0.378 61.953 62.300 0.052 0.000 1.098 418 V CB 1.203 33.054 31.823 0.048 0.000 1.000 418 V HN 0.338 nan 8.190 nan 0.000 0.484 419 S N 2.431 118.149 115.700 0.031 0.000 2.572 419 S HA 0.048 4.536 4.470 0.030 0.000 0.279 419 S C 1.158 175.767 174.600 0.016 0.000 1.341 419 S CA -0.014 58.198 58.200 0.020 0.000 1.043 419 S CB 0.915 64.123 63.200 0.013 0.000 0.887 419 S HN 0.766 nan 8.310 nan 0.000 0.516 420 T N 3.387 117.949 114.554 0.013 0.000 2.759 420 T HA -0.023 4.344 4.350 0.030 0.000 0.269 420 T C -0.954 173.754 174.700 0.014 0.000 1.042 420 T CA 1.618 63.726 62.100 0.014 0.000 1.140 420 T CB -1.422 67.452 68.868 0.010 0.000 0.864 420 T HN 0.578 nan 8.240 nan 0.000 0.455 421 P HA -0.030 nan 4.420 nan 0.000 0.215 421 P C 1.704 179.010 177.300 0.011 0.000 1.157 421 P CA 1.154 64.261 63.100 0.012 0.000 0.863 421 P CB -0.246 31.459 31.700 0.008 0.000 0.787 422 T N -0.145 114.414 114.554 0.008 0.000 2.684 422 T HA -0.142 4.226 4.350 0.030 0.000 0.267 422 T C 1.774 176.471 174.700 -0.004 0.000 1.036 422 T CA 1.099 63.201 62.100 0.003 0.000 1.148 422 T CB -1.015 67.859 68.868 0.010 0.000 0.863 422 T HN 0.013 nan 8.240 nan 0.000 0.436 423 L N 0.608 121.833 121.223 0.003 0.000 1.989 423 L HA -0.151 4.207 4.340 0.030 0.000 0.211 423 L C 2.659 179.535 176.870 0.010 0.000 1.071 423 L CA 1.263 56.106 54.840 0.006 0.000 0.749 423 L CB -0.574 41.495 42.059 0.017 0.000 0.890 423 L HN 0.161 nan 8.230 nan 0.000 0.431 424 V N -0.745 119.179 119.914 0.016 0.000 2.295 424 V HA -0.278 3.860 4.120 0.030 0.000 0.246 424 V C 2.514 178.619 176.094 0.019 0.000 1.049 424 V CA 1.663 63.977 62.300 0.023 0.000 1.024 424 V CB -0.548 31.296 31.823 0.035 0.000 0.648 424 V HN 0.440 nan 8.190 nan 0.000 0.447 425 E N 0.195 120.402 120.200 0.013 0.000 2.048 425 E HA -0.223 4.145 4.350 0.030 0.000 0.202 425 E C 2.271 178.867 176.600 -0.007 0.000 1.021 425 E CA 2.006 58.410 56.400 0.007 0.000 0.825 425 E CB -0.429 29.272 29.700 0.001 0.000 0.756 425 E HN 0.477 nan 8.360 nan 0.000 0.454 426 V N 1.015 120.911 119.914 -0.030 0.000 2.237 426 V HA -0.243 3.895 4.120 0.030 0.000 0.245 426 V C 2.387 178.453 176.094 -0.046 0.000 1.046 426 V CA 2.011 64.271 62.300 -0.067 0.000 1.007 426 V CB -0.763 30.984 31.823 -0.127 0.000 0.638 426 V HN 0.175 nan 8.190 nan 0.000 0.445 427 S N -0.673 115.020 115.700 -0.012 0.000 2.462 427 S HA -0.211 4.277 4.470 0.030 0.000 0.243 427 S C 1.957 176.565 174.600 0.013 0.000 1.003 427 S CA 1.466 59.683 58.200 0.028 0.000 0.970 427 S CB -0.325 62.897 63.200 0.037 0.000 0.762 427 S HN 0.561 nan 8.310 nan 0.000 0.510 428 R N 1.077 121.589 120.500 0.019 0.000 2.074 428 R HA 0.160 4.517 4.340 0.030 0.000 0.218 428 R C 1.840 178.166 176.300 0.043 0.000 1.137 428 R CA 0.838 56.964 56.100 0.044 0.000 0.998 428 R CB -0.376 29.956 30.300 0.053 0.000 0.895 428 R HN 0.324 nan 8.270 nan 0.000 0.442 429 N N 1.358 120.068 118.700 0.017 0.000 2.205 429 N HA -0.163 4.595 4.740 0.030 0.000 0.186 429 N C 1.739 177.252 175.510 0.006 0.000 1.015 429 N CA 0.993 54.044 53.050 0.003 0.000 0.862 429 N CB -0.192 38.289 38.487 -0.011 0.000 0.986 429 N HN 0.046 nan 8.380 nan 0.000 0.429 430 L N 1.111 122.341 121.223 0.011 0.000 1.976 430 L HA -0.003 4.355 4.340 0.030 0.000 0.209 430 L C 2.426 179.365 176.870 0.116 0.000 1.071 430 L CA 1.722 56.583 54.840 0.035 0.000 0.746 430 L CB -1.330 40.739 42.059 0.017 0.000 0.890 430 L HN 0.196 nan 8.230 nan 0.000 0.432 431 G N -1.294 107.587 108.800 0.135 0.000 2.450 431 G HA2 -0.267 3.711 3.960 0.030 0.000 0.220 431 G HA3 -0.267 3.711 3.960 0.030 0.000 0.220 431 G C 1.734 176.816 174.900 0.304 0.000 1.130 431 G CA 0.715 46.007 45.100 0.320 0.000 0.760 431 G HN 0.330 nan 8.290 nan 0.000 0.557 432 K N -0.126 120.358 120.400 0.141 0.000 2.057 432 K HA -0.014 4.324 4.320 0.030 0.000 0.207 432 K C 2.574 179.146 176.600 -0.046 0.000 1.049 432 K CA 1.017 57.340 56.287 0.059 0.000 0.931 432 K CB -0.342 32.157 32.500 -0.000 0.000 0.714 432 K HN 0.220 nan 8.250 nan 0.000 0.440 433 V N 1.003 120.874 119.914 -0.072 0.000 2.469 433 V HA -0.215 3.923 4.120 0.030 0.000 0.251 433 V C 2.342 178.366 176.094 -0.117 0.000 1.064 433 V CA 2.121 64.343 62.300 -0.130 0.000 1.066 433 V CB -0.940 30.877 31.823 -0.010 0.000 0.667 433 V HN 0.502 nan 8.190 nan 0.000 0.461 434 G N 0.420 109.154 108.800 -0.110 0.000 2.421 434 G HA2 -0.278 3.700 3.960 0.030 0.000 0.216 434 G HA3 -0.278 3.700 3.960 0.030 0.000 0.216 434 G C 1.778 176.095 174.900 -0.971 0.000 1.171 434 G CA 1.284 46.114 45.100 -0.450 0.000 0.775 434 G HN 0.670 nan 8.290 nan 0.000 0.543 435 S N -0.264 115.036 115.700 -0.667 0.000 2.515 435 S HA 0.066 4.554 4.470 0.030 0.000 0.231 435 S C 1.797 176.283 174.600 -0.190 0.000 0.987 435 S CA 1.416 59.382 58.200 -0.390 0.000 0.936 435 S CB 0.046 63.390 63.200 0.240 0.000 0.766 435 S HN 0.469 nan 8.310 nan 0.000 0.528 436 K N -0.636 119.659 120.400 -0.175 0.000 2.358 436 K HA 0.335 4.673 4.320 0.030 0.000 0.197 436 K C 0.738 177.385 176.600 0.078 0.000 1.025 436 K CA 0.355 56.600 56.287 -0.070 0.000 1.104 436 K CB 0.186 32.589 32.500 -0.161 0.000 0.855 436 K HN 0.433 nan 8.250 nan 0.000 0.531 437 c N -1.386 117.226 118.600 0.020 0.000 2.709 437 c HA 0.126 4.714 4.570 0.030 0.000 0.504 437 c C 2.193 176.324 174.090 0.069 0.000 1.338 437 c CA -0.392 56.056 56.329 0.198 0.000 2.606 437 c CB -0.294 42.297 42.510 0.136 0.000 3.196 437 c HN 0.573 nan 8.230 nan 0.000 0.538 438 c N 1.762 120.267 118.600 -0.158 0.000 2.400 438 c HA -0.144 4.444 4.570 0.030 0.000 0.291 438 c C 2.456 176.503 174.090 -0.072 0.000 1.372 438 c CA 1.316 57.545 56.329 -0.166 0.000 1.800 438 c CB -1.577 40.696 42.510 -0.394 0.000 1.869 438 c HN 0.624 nan 8.230 nan 0.000 0.533 439 K N -0.623 119.720 120.400 -0.095 0.000 2.288 439 K HA -0.029 4.309 4.320 0.030 0.000 0.201 439 K C 0.686 177.219 176.600 -0.110 0.000 1.048 439 K CA 0.490 56.717 56.287 -0.100 0.000 0.956 439 K CB -0.109 32.297 32.500 -0.156 0.000 0.746 439 K HN 0.662 nan 8.250 nan 0.000 0.461 440 H N 1.362 120.425 119.070 -0.013 0.000 2.707 440 H HA 0.079 4.653 4.556 0.030 0.000 0.359 440 H C -2.170 173.156 175.328 -0.004 0.000 1.113 440 H CA -1.727 54.319 56.048 -0.004 0.000 1.422 440 H CB 0.363 30.123 29.762 -0.002 0.000 1.443 440 H HN 0.062 nan 8.280 nan 0.000 0.591 441 P HA -0.000 nan 4.420 nan 0.000 0.275 441 P C 0.847 178.187 177.300 0.066 0.000 1.227 441 P CA -0.152 62.992 63.100 0.074 0.000 0.781 441 P CB 1.167 32.901 31.700 0.057 0.000 0.906 442 E N 3.098 123.325 120.200 0.046 0.000 2.217 442 E HA -0.358 4.010 4.350 0.030 0.000 0.219 442 E C 1.798 178.417 176.600 0.031 0.000 1.070 442 E CA 2.392 58.813 56.400 0.036 0.000 0.889 442 E CB -0.549 29.170 29.700 0.032 0.000 0.768 442 E HN 0.534 nan 8.360 nan 0.000 0.465 443 A N 0.692 123.531 122.820 0.030 0.000 1.915 443 A HA -0.251 4.086 4.320 0.030 0.000 0.220 443 A C 1.895 179.480 177.584 0.000 0.000 1.198 443 A CA 2.185 54.235 52.037 0.021 0.000 0.647 443 A CB -0.391 18.616 19.000 0.012 0.000 0.825 443 A HN 0.242 nan 8.150 nan 0.000 0.456 444 K N -1.287 119.102 120.400 -0.017 0.000 2.498 444 K HA 0.216 4.554 4.320 0.030 0.000 0.207 444 K C 1.500 178.018 176.600 -0.137 0.000 1.033 444 K CA -0.229 56.000 56.287 -0.096 0.000 1.138 444 K CB 0.367 32.773 32.500 -0.156 0.000 0.860 444 K HN 0.389 nan 8.250 nan 0.000 0.490 445 R N 0.559 121.030 120.500 -0.048 0.000 2.052 445 R HA 0.091 4.449 4.340 0.030 0.000 0.226 445 R C 2.233 178.505 176.300 -0.048 0.000 1.145 445 R CA 1.014 57.095 56.100 -0.032 0.000 0.952 445 R CB -0.075 30.231 30.300 0.009 0.000 0.847 445 R HN 0.150 nan 8.270 nan 0.000 0.431 446 M N 0.827 120.405 119.600 -0.038 0.000 2.106 446 M HA -0.123 4.375 4.480 0.030 0.000 0.259 446 M C -0.981 175.279 176.300 -0.065 0.000 1.068 446 M CA 1.962 57.234 55.300 -0.046 0.000 1.100 446 M CB -0.636 31.934 32.600 -0.050 0.000 1.351 446 M HN -0.036 nan 8.290 nan 0.000 0.404 447 P HA -0.101 nan 4.420 nan 0.000 0.217 447 P C 1.639 178.846 177.300 -0.154 0.000 1.151 447 P CA 1.017 64.048 63.100 -0.115 0.000 0.828 447 P CB -0.235 31.387 31.700 -0.129 0.000 0.788 448 c N 0.082 118.577 118.600 -0.176 0.000 2.440 448 c HA -0.161 4.427 4.570 0.030 0.000 0.282 448 c C 2.823 176.845 174.090 -0.113 0.000 1.223 448 c CA 1.951 58.161 56.329 -0.198 0.000 1.744 448 c CB -1.578 40.854 42.510 -0.130 0.000 2.061 448 c HN 0.235 nan 8.230 nan 0.000 0.456 449 A N 0.118 122.940 122.820 0.003 0.000 1.884 449 A HA -0.318 4.020 4.320 0.030 0.000 0.219 449 A C 2.191 179.787 177.584 0.021 0.000 1.197 449 A CA 2.437 54.512 52.037 0.064 0.000 0.637 449 A CB -1.293 17.729 19.000 0.036 0.000 0.827 449 A HN 0.853 nan 8.150 nan 0.000 0.450 450 E N -0.589 119.592 120.200 -0.031 0.000 2.049 450 E HA -0.329 4.038 4.350 0.030 0.000 0.198 450 E C 1.758 178.328 176.600 -0.049 0.000 1.007 450 E CA 1.741 58.121 56.400 -0.034 0.000 0.809 450 E CB -0.315 29.358 29.700 -0.045 0.000 0.749 450 E HN 0.526 nan 8.360 nan 0.000 0.450 451 D N -0.878 119.442 120.400 -0.133 0.000 2.126 451 D HA -0.195 4.463 4.640 0.030 0.000 0.190 451 D C 1.794 177.994 176.300 -0.167 0.000 1.001 451 D CA 1.473 55.347 54.000 -0.211 0.000 0.841 451 D CB -0.283 40.266 40.800 -0.419 0.000 0.949 451 D HN 0.295 nan 8.370 nan 0.000 0.446 452 Y N -0.112 120.195 120.300 0.012 0.000 2.134 452 Y HA -0.009 4.558 4.550 0.029 0.000 0.283 452 Y C 2.216 178.117 175.900 0.000 0.000 1.108 452 Y CA 0.204 58.314 58.100 0.016 0.000 1.096 452 Y CB -1.201 37.270 38.460 0.019 0.000 1.005 452 Y HN -0.071 nan 8.280 nan 0.000 0.487 453 L N 0.544 121.873 121.223 0.176 0.000 2.151 453 L HA -0.369 3.989 4.340 0.030 0.000 0.219 453 L C 2.565 179.449 176.870 0.023 0.000 1.083 453 L CA 2.299 57.179 54.840 0.066 0.000 0.782 453 L CB -1.338 40.747 42.059 0.044 0.000 0.891 453 L HN 0.458 nan 8.230 nan 0.000 0.439 454 S N -1.665 114.050 115.700 0.025 0.000 2.374 454 S HA -0.202 4.286 4.470 0.030 0.000 0.227 454 S C 1.944 176.546 174.600 0.003 0.000 1.037 454 S CA 1.873 60.074 58.200 0.002 0.000 1.024 454 S CB -1.425 61.770 63.200 -0.007 0.000 0.861 454 S HN 0.470 nan 8.310 nan 0.000 0.456 455 V N -0.449 119.483 119.914 0.031 0.000 2.725 455 V HA 0.157 4.295 4.120 0.030 0.000 0.247 455 V C 2.208 178.309 176.094 0.011 0.000 1.058 455 V CA 0.947 63.266 62.300 0.032 0.000 1.080 455 V CB -0.896 30.969 31.823 0.070 0.000 0.713 455 V HN 0.381 nan 8.190 nan 0.000 0.465 456 V N 0.216 120.133 119.914 0.005 0.000 2.626 456 V HA -0.110 4.028 4.120 0.030 0.000 0.252 456 V C 2.501 178.530 176.094 -0.108 0.000 1.067 456 V CA 1.673 63.949 62.300 -0.040 0.000 1.081 456 V CB -0.594 31.203 31.823 -0.042 0.000 0.686 456 V HN 0.445 nan 8.190 nan 0.000 0.468 457 L N 0.057 121.214 121.223 -0.111 0.000 2.202 457 L HA 0.103 4.460 4.340 0.030 0.000 0.205 457 L C 2.145 178.964 176.870 -0.086 0.000 1.083 457 L CA 1.588 56.321 54.840 -0.178 0.000 0.790 457 L CB -1.250 40.726 42.059 -0.138 0.000 0.942 457 L HN 0.403 nan 8.230 nan 0.000 0.452 458 N N -0.677 118.005 118.700 -0.031 0.000 2.244 458 N HA -0.227 4.530 4.740 0.030 0.000 0.183 458 N C 1.870 177.379 175.510 -0.002 0.000 1.016 458 N CA 1.199 54.250 53.050 0.001 0.000 0.866 458 N CB 0.031 38.523 38.487 0.007 0.000 0.980 458 N HN 0.413 nan 8.380 nan 0.000 0.430 459 Q N -0.117 119.673 119.800 -0.016 0.000 2.002 459 Q HA -0.190 4.168 4.340 0.030 0.000 0.204 459 Q C 2.009 177.997 176.000 -0.019 0.000 0.988 459 Q CA 1.626 57.422 55.803 -0.011 0.000 0.843 459 Q CB -0.361 28.367 28.738 -0.016 0.000 0.908 459 Q HN 0.450 nan 8.270 nan 0.000 0.420 460 L N 0.897 122.082 121.223 -0.063 0.000 2.042 460 L HA -0.154 4.204 4.340 0.030 0.000 0.210 460 L C 2.175 179.043 176.870 -0.003 0.000 1.076 460 L CA 1.806 56.601 54.840 -0.074 0.000 0.749 460 L CB -0.994 40.938 42.059 -0.212 0.000 0.893 460 L HN 0.427 nan 8.230 nan 0.000 0.432 461 c N -1.531 117.073 118.600 0.007 0.000 2.466 461 c HA 0.019 4.607 4.570 0.030 0.000 0.283 461 c C 2.559 176.703 174.090 0.090 0.000 1.472 461 c CA 0.620 56.996 56.329 0.079 0.000 1.765 461 c CB -1.154 41.414 42.510 0.096 0.000 1.724 461 c HN 0.510 nan 8.230 nan 0.000 0.560 462 V N 0.003 119.953 119.914 0.061 0.000 2.581 462 V HA -0.015 4.123 4.120 0.030 0.000 0.240 462 V C 2.227 178.352 176.094 0.053 0.000 1.054 462 V CA 1.068 63.398 62.300 0.050 0.000 1.076 462 V CB -0.377 31.462 31.823 0.027 0.000 0.748 462 V HN 0.432 nan 8.190 nan 0.000 0.474 463 L N 0.072 121.325 121.223 0.049 0.000 2.013 463 L HA -0.261 4.097 4.340 0.030 0.000 0.212 463 L C 2.639 179.543 176.870 0.056 0.000 1.073 463 L CA 2.319 57.183 54.840 0.040 0.000 0.753 463 L CB -1.096 40.984 42.059 0.035 0.000 0.890 463 L HN 0.483 nan 8.230 nan 0.000 0.432 464 H N 0.393 119.468 119.070 0.007 0.000 2.421 464 H HA -0.191 4.384 4.556 0.031 0.000 0.298 464 H C 2.167 177.507 175.328 0.019 0.000 1.087 464 H CA 1.900 57.959 56.048 0.018 0.000 1.330 464 H CB 0.278 30.061 29.762 0.036 0.000 1.388 464 H HN 0.451 nan 8.280 nan 0.000 0.526 465 E N 0.417 120.692 120.200 0.124 0.000 2.051 465 E HA -0.151 4.216 4.350 0.030 0.000 0.192 465 E C 2.177 178.773 176.600 -0.008 0.000 0.991 465 E CA 0.809 57.251 56.400 0.069 0.000 0.799 465 E CB 0.200 29.941 29.700 0.068 0.000 0.748 465 E HN 0.215 nan 8.360 nan 0.000 0.449 466 K N -0.162 120.233 120.400 -0.009 0.000 2.059 466 K HA -0.136 4.202 4.320 0.030 0.000 0.212 466 K C 1.212 177.781 176.600 -0.053 0.000 1.050 466 K CA 1.830 58.102 56.287 -0.024 0.000 0.927 466 K CB -0.577 31.913 32.500 -0.017 0.000 0.714 466 K HN 0.362 nan 8.250 nan 0.000 0.447 467 T N -0.568 113.928 114.554 -0.097 0.000 3.160 467 T HA 0.261 4.629 4.350 0.030 0.000 0.346 467 T C -2.790 171.741 174.700 -0.281 0.000 1.027 467 T CA -1.746 60.275 62.100 -0.132 0.000 1.287 467 T CB 2.070 70.885 68.868 -0.089 0.000 0.997 467 T HN -0.153 nan 8.240 nan 0.000 0.518 468 P HA 0.211 nan 4.420 nan 0.000 0.270 468 P C 0.145 177.192 177.300 -0.423 0.000 1.227 468 P CA -0.273 62.392 63.100 -0.724 0.000 0.788 468 P CB 1.351 32.894 31.700 -0.262 0.000 0.926 469 V N -1.294 118.445 119.914 -0.292 0.000 3.155 469 V HA 0.096 4.234 4.120 0.030 0.000 0.225 469 V C 0.892 177.078 176.094 0.153 0.000 1.462 469 V CA 0.647 62.953 62.300 0.010 0.000 1.270 469 V CB 0.571 32.424 31.823 0.051 0.000 1.112 469 V HN 0.667 nan 8.190 nan 0.000 0.479 470 S N 0.577 116.491 115.700 0.357 0.000 2.536 470 S HA 0.328 4.816 4.470 0.030 0.000 0.298 470 S C 0.476 175.186 174.600 0.183 0.000 1.083 470 S CA -0.091 58.238 58.200 0.214 0.000 0.995 470 S CB 1.706 64.996 63.200 0.150 0.000 1.058 470 S HN 0.548 nan 8.310 nan 0.000 0.488 471 D N 3.878 124.334 120.400 0.094 0.000 2.194 471 D HA -0.075 4.583 4.640 0.030 0.000 0.204 471 D C 1.520 177.821 176.300 0.003 0.000 0.964 471 D CA 0.577 54.612 54.000 0.058 0.000 0.846 471 D CB -0.124 40.699 40.800 0.037 0.000 0.962 471 D HN 0.454 nan 8.370 nan 0.000 0.490 472 R N 0.972 121.463 120.500 -0.015 0.000 2.082 472 R HA -0.055 4.303 4.340 0.030 0.000 0.234 472 R C 2.677 178.888 176.300 -0.148 0.000 1.136 472 R CA 1.245 57.302 56.100 -0.072 0.000 0.935 472 R CB -0.845 29.425 30.300 -0.049 0.000 0.842 472 R HN 0.034 nan 8.270 nan 0.000 0.430 473 V N 0.795 120.626 119.914 -0.139 0.000 2.546 473 V HA -0.264 3.874 4.120 0.030 0.000 0.254 473 V C 1.907 177.847 176.094 -0.257 0.000 1.076 473 V CA 2.256 64.434 62.300 -0.204 0.000 1.087 473 V CB -0.696 30.908 31.823 -0.365 0.000 0.674 473 V HN 0.476 nan 8.190 nan 0.000 0.470 474 T N -0.679 113.776 114.554 -0.166 0.000 2.985 474 T HA -0.108 4.260 4.350 0.030 0.000 0.266 474 T C 1.936 176.606 174.700 -0.050 0.000 1.076 474 T CA 1.285 63.367 62.100 -0.030 0.000 1.135 474 T CB -0.077 68.856 68.868 0.107 0.000 0.890 474 T HN 0.407 nan 8.240 nan 0.000 0.480 475 K N 1.304 121.646 120.400 -0.095 0.000 2.025 475 K HA 0.006 4.344 4.320 0.030 0.000 0.207 475 K C 2.197 178.701 176.600 -0.160 0.000 1.049 475 K CA 1.343 57.568 56.287 -0.104 0.000 0.933 475 K CB -0.993 31.442 32.500 -0.108 0.000 0.714 475 K HN 0.309 nan 8.250 nan 0.000 0.438 476 c N -0.101 118.311 118.600 -0.312 0.000 2.440 476 c HA -0.036 4.552 4.570 0.030 0.000 0.278 476 c C 2.759 176.714 174.090 -0.225 0.000 1.295 476 c CA 0.630 56.671 56.329 -0.480 0.000 1.738 476 c CB -1.047 40.671 42.510 -1.320 0.000 1.987 476 c HN 0.639 nan 8.230 nan 0.000 0.492 477 c N 1.194 119.742 118.600 -0.088 0.000 2.432 477 c HA -0.059 4.529 4.570 0.030 0.000 0.280 477 c C 2.696 176.824 174.090 0.065 0.000 1.353 477 c CA 1.893 58.269 56.329 0.077 0.000 1.766 477 c CB -1.584 40.987 42.510 0.102 0.000 1.924 477 c HN 0.836 nan 8.230 nan 0.000 0.509 478 T N -2.457 112.111 114.554 0.024 0.000 3.022 478 T HA 0.081 4.448 4.350 0.030 0.000 0.250 478 T C 0.422 175.155 174.700 0.055 0.000 1.060 478 T CA 0.122 62.245 62.100 0.038 0.000 1.013 478 T CB 0.123 68.999 68.868 0.013 0.000 0.982 478 T HN 0.414 nan 8.240 nan 0.000 0.508 479 E N 2.495 122.709 120.200 0.023 0.000 2.455 479 E HA 0.236 4.604 4.350 0.030 0.000 0.259 479 E C 0.203 176.866 176.600 0.105 0.000 1.245 479 E CA 0.002 56.416 56.400 0.024 0.000 1.013 479 E CB 0.451 30.122 29.700 -0.048 0.000 0.978 479 E HN 0.265 nan 8.360 nan 0.000 0.479 480 S N 1.377 117.128 115.700 0.086 0.000 2.546 480 S HA -0.044 4.444 4.470 0.030 0.000 0.290 480 S C 1.168 175.733 174.600 -0.058 0.000 1.290 480 S CA -0.221 58.034 58.200 0.092 0.000 1.069 480 S CB -0.069 63.146 63.200 0.025 0.000 0.846 480 S HN 0.571 nan 8.310 nan 0.000 0.495 481 L N 5.084 126.119 121.223 -0.314 0.000 2.740 481 L HA -0.020 4.338 4.340 0.030 0.000 0.242 481 L C 0.923 177.640 176.870 -0.256 0.000 1.175 481 L CA 0.480 55.099 54.840 -0.369 0.000 0.859 481 L CB -0.201 41.382 42.059 -0.793 0.000 0.992 481 L HN 0.667 nan 8.230 nan 0.000 0.454 482 V N -1.627 118.173 119.914 -0.191 0.000 3.572 482 V HA -0.006 4.131 4.120 0.030 0.000 0.260 482 V C 1.405 177.448 176.094 -0.085 0.000 1.324 482 V CA 0.584 62.806 62.300 -0.130 0.000 1.068 482 V CB 0.196 31.944 31.823 -0.125 0.000 0.837 482 V HN 0.483 nan 8.190 nan 0.000 0.450 483 N N 0.134 118.792 118.700 -0.071 0.000 2.280 483 N HA 0.066 4.823 4.740 0.030 0.000 0.192 483 N C 1.739 177.216 175.510 -0.054 0.000 1.109 483 N CA -0.189 52.827 53.050 -0.057 0.000 0.855 483 N CB 0.326 38.782 38.487 -0.050 0.000 0.974 483 N HN 0.324 nan 8.380 nan 0.000 0.482 484 R N 1.627 122.107 120.500 -0.034 0.000 2.070 484 R HA -0.018 4.340 4.340 0.030 0.000 0.233 484 R C 2.305 178.663 176.300 0.096 0.000 1.137 484 R CA 1.188 57.297 56.100 0.014 0.000 0.945 484 R CB 0.046 30.386 30.300 0.068 0.000 0.845 484 R HN 0.043 nan 8.270 nan 0.000 0.430 485 R N 0.140 120.695 120.500 0.091 0.000 2.075 485 R HA -0.030 4.328 4.340 0.030 0.000 0.232 485 R C -0.859 175.495 176.300 0.090 0.000 1.126 485 R CA 1.350 57.527 56.100 0.128 0.000 0.963 485 R CB -1.217 29.116 30.300 0.055 0.000 0.858 485 R HN 0.268 nan 8.270 nan 0.000 0.435 486 P HA -0.117 nan 4.420 nan 0.000 0.215 486 P C 1.613 178.903 177.300 -0.017 0.000 1.153 486 P CA 0.973 64.072 63.100 -0.001 0.000 0.853 486 P CB -0.250 31.433 31.700 -0.029 0.000 0.788 487 c N -2.004 116.550 118.600 -0.077 0.000 2.413 487 c HA -0.146 4.442 4.570 0.030 0.000 0.277 487 c C 2.317 176.263 174.090 -0.240 0.000 1.265 487 c CA 0.827 57.044 56.329 -0.187 0.000 1.752 487 c CB -2.194 40.139 42.510 -0.296 0.000 1.998 487 c HN 0.062 nan 8.230 nan 0.000 0.489 488 F N 0.742 120.670 119.950 -0.035 0.000 2.335 488 F HA 0.059 4.603 4.527 0.029 0.000 0.296 488 F C 2.716 178.515 175.800 -0.001 0.000 1.091 488 F CA 1.461 59.436 58.000 -0.042 0.000 1.399 488 F CB -0.628 38.322 39.000 -0.082 0.000 1.067 488 F HN 0.066 nan 8.300 nan 0.000 0.520 489 S N -0.318 115.483 115.700 0.169 0.000 2.423 489 S HA -0.064 4.424 4.470 0.030 0.000 0.231 489 S C 2.135 176.785 174.600 0.083 0.000 1.014 489 S CA 0.910 59.186 58.200 0.127 0.000 0.965 489 S CB -0.372 62.878 63.200 0.083 0.000 0.785 489 S HN 0.311 nan 8.310 nan 0.000 0.495 490 A N 0.527 123.371 122.820 0.041 0.000 2.218 490 A HA 0.347 4.685 4.320 0.030 0.000 0.209 490 A C 0.662 178.255 177.584 0.015 0.000 1.168 490 A CA -0.083 51.962 52.037 0.013 0.000 0.804 490 A CB -0.216 18.771 19.000 -0.022 0.000 0.834 490 A HN 0.390 nan 8.150 nan 0.000 0.482 491 L N 1.422 122.668 121.223 0.038 0.000 2.499 491 L HA 0.080 4.438 4.340 0.030 0.000 0.273 491 L C 0.171 177.071 176.870 0.050 0.000 1.195 491 L CA 0.196 55.061 54.840 0.042 0.000 0.882 491 L CB 0.400 42.512 42.059 0.089 0.000 1.133 491 L HN 0.395 nan 8.230 nan 0.000 0.483 492 E N 1.826 122.044 120.200 0.031 0.000 2.222 492 E HA 0.340 4.708 4.350 0.030 0.000 0.267 492 E C -0.694 175.922 176.600 0.026 0.000 0.963 492 E CA -1.063 55.352 56.400 0.026 0.000 0.837 492 E CB 2.122 31.832 29.700 0.016 0.000 1.183 492 E HN 0.220 nan 8.360 nan 0.000 0.403 493 V N 2.167 122.093 119.914 0.019 0.000 2.872 493 V HA -0.147 3.991 4.120 0.030 0.000 0.302 493 V C 0.296 176.406 176.094 0.026 0.000 1.166 493 V CA 0.899 63.208 62.300 0.015 0.000 1.298 493 V CB 0.215 32.043 31.823 0.010 0.000 0.894 493 V HN 0.683 nan 8.190 nan 0.000 0.509 494 D N 4.240 124.657 120.400 0.028 0.000 2.339 494 D HA 0.152 4.810 4.640 0.030 0.000 0.241 494 D C 0.576 176.932 176.300 0.094 0.000 1.183 494 D CA -0.118 53.915 54.000 0.055 0.000 0.859 494 D CB 0.985 41.814 40.800 0.048 0.000 1.067 494 D HN 0.679 nan 8.370 nan 0.000 0.484 495 E N 1.797 122.044 120.200 0.079 0.000 2.465 495 E HA 0.056 4.424 4.350 0.030 0.000 0.195 495 E C 0.793 177.440 176.600 0.079 0.000 1.028 495 E CA 0.039 56.486 56.400 0.078 0.000 0.899 495 E CB 0.734 30.462 29.700 0.047 0.000 1.032 495 E HN 0.414 nan 8.360 nan 0.000 0.468 496 T N -0.026 114.588 114.554 0.099 0.000 2.983 496 T HA -0.072 4.296 4.350 0.030 0.000 0.250 496 T C 0.442 175.203 174.700 0.102 0.000 1.037 496 T CA -0.001 62.148 62.100 0.081 0.000 1.142 496 T CB -0.197 68.720 68.868 0.082 0.000 0.876 496 T HN 0.196 nan 8.240 nan 0.000 0.455 497 Y N 3.152 123.465 120.300 0.022 0.000 2.993 497 Y HA 0.110 4.678 4.550 0.030 0.000 0.340 497 Y C -0.521 175.392 175.900 0.023 0.000 1.273 497 Y CA -0.418 57.697 58.100 0.026 0.000 1.545 497 Y CB 0.212 38.690 38.460 0.030 0.000 1.275 497 Y HN -0.091 nan 8.280 nan 0.000 0.617 498 V N 8.402 127.800 119.914 -0.859 0.000 2.443 498 V HA 0.304 4.442 4.120 0.030 0.000 0.293 498 V C -2.118 173.392 176.094 -0.974 0.000 1.021 498 V CA -2.056 59.862 62.300 -0.636 0.000 0.848 498 V CB 1.298 32.931 31.823 -0.316 0.000 0.998 498 V HN 0.775 nan 8.190 nan 0.000 0.424 499 P HA -0.005 nan 4.420 nan 0.000 0.263 499 P C -0.314 176.966 177.300 -0.033 0.000 1.168 499 P CA 0.127 63.127 63.100 -0.167 0.000 0.759 499 P CB 0.682 32.373 31.700 -0.014 0.000 0.782 500 K N 2.340 122.834 120.400 0.158 0.000 2.319 500 K HA 0.073 4.411 4.320 0.030 0.000 0.265 500 K C 0.594 177.344 176.600 0.250 0.000 1.000 500 K CA -0.048 56.341 56.287 0.171 0.000 0.943 500 K CB 0.525 33.147 32.500 0.203 0.000 0.950 500 K HN 0.523 nan 8.250 nan 0.000 0.485 501 E N 1.103 121.399 120.200 0.159 0.000 2.366 501 E HA -0.006 4.362 4.350 0.030 0.000 0.266 501 E C -0.671 176.005 176.600 0.126 0.000 1.051 501 E CA -0.456 56.058 56.400 0.190 0.000 0.884 501 E CB 0.403 30.167 29.700 0.107 0.000 1.006 501 E HN 0.266 nan 8.360 nan 0.000 0.417 502 F N 4.930 124.861 119.950 -0.031 0.000 2.514 502 F HA -0.080 4.464 4.527 0.029 0.000 0.399 502 F C 0.146 175.878 175.800 -0.112 0.000 1.011 502 F CA 0.223 58.035 58.000 -0.313 0.000 1.109 502 F CB -0.048 38.850 39.000 -0.170 0.000 0.980 502 F HN 0.290 nan 8.300 nan 0.000 0.538 503 N N 5.922 124.181 118.700 -0.736 0.000 2.767 503 N HA 0.215 4.972 4.740 0.030 0.000 0.238 503 N C 0.892 175.797 175.510 -1.008 0.000 1.083 503 N CA 0.507 53.153 53.050 -0.674 0.000 0.964 503 N CB 1.067 39.283 38.487 -0.451 0.000 1.252 503 N HN 0.812 nan 8.380 nan 0.000 0.512 504 A N 3.623 125.743 122.820 -1.166 0.000 1.940 504 A HA -0.229 4.109 4.320 0.030 0.000 0.221 504 A C 1.888 179.274 177.584 -0.330 0.000 1.190 504 A CA 1.595 53.193 52.037 -0.732 0.000 0.647 504 A CB -0.357 18.563 19.000 -0.133 0.000 0.821 504 A HN 0.782 nan 8.150 nan 0.000 0.457 505 E N -1.144 118.870 120.200 -0.311 0.000 2.038 505 E HA -0.171 4.197 4.350 0.030 0.000 0.195 505 E C 2.078 178.471 176.600 -0.344 0.000 1.000 505 E CA 1.686 57.944 56.400 -0.237 0.000 0.803 505 E CB -0.540 29.041 29.700 -0.198 0.000 0.750 505 E HN 0.624 nan 8.360 nan 0.000 0.448 506 T N 0.768 115.004 114.554 -0.529 0.000 2.792 506 T HA -0.197 4.171 4.350 0.030 0.000 0.268 506 T C 0.708 174.875 174.700 -0.888 0.000 1.059 506 T CA 1.226 62.863 62.100 -0.772 0.000 1.136 506 T CB -0.247 67.962 68.868 -1.099 0.000 0.846 506 T HN 0.067 nan 8.240 nan 0.000 0.489 507 F N 1.478 121.330 119.950 -0.165 0.000 2.963 507 F HA 0.340 4.885 4.527 0.029 0.000 0.321 507 F C 0.424 176.246 175.800 0.037 0.000 1.234 507 F CA -0.814 57.196 58.000 0.017 0.000 1.296 507 F CB -0.184 38.917 39.000 0.169 0.000 0.981 507 F HN -0.180 nan 8.300 nan 0.000 0.507 508 T N 0.783 115.182 114.554 -0.258 0.000 2.807 508 T HA 0.655 5.023 4.350 0.030 0.000 0.279 508 T C -0.809 173.627 174.700 -0.440 0.000 0.993 508 T CA -0.357 61.668 62.100 -0.126 0.000 0.970 508 T CB 1.349 70.160 68.868 -0.096 0.000 0.950 508 T HN -0.132 nan 8.240 nan 0.000 0.441 509 F N 0.679 120.743 119.950 0.190 0.000 2.576 509 F HA 0.545 5.090 4.527 0.030 0.000 0.313 509 F C 0.658 176.628 175.800 0.283 0.000 1.078 509 F CA -1.010 57.198 58.000 0.346 0.000 0.921 509 F CB 1.711 41.010 39.000 0.498 0.000 1.232 509 F HN 0.586 nan 8.300 nan 0.000 0.459 510 H N 0.954 120.307 119.070 0.473 0.000 2.336 510 H HA 0.649 5.223 4.556 0.030 0.000 0.307 510 H C 1.008 176.042 175.328 -0.489 0.000 1.056 510 H CA 1.083 57.205 56.048 0.122 0.000 1.471 510 H CB 0.348 30.129 29.762 0.031 0.000 1.502 510 H HN 0.615 nan 8.280 nan 0.000 0.630 511 A N -0.272 122.436 122.820 -0.187 0.000 2.399 511 A HA -0.014 4.324 4.320 0.030 0.000 0.218 511 A C 0.381 177.906 177.584 -0.098 0.000 2.864 511 A CA 0.326 52.079 52.037 -0.473 0.000 1.547 511 A CB -0.383 18.286 19.000 -0.552 0.000 0.283 511 A HN 0.278 nan 8.150 nan 0.000 0.542 512 D N 1.078 121.495 120.400 0.028 0.000 2.263 512 D HA -0.126 4.532 4.640 0.030 0.000 0.208 512 D C 1.625 177.977 176.300 0.087 0.000 0.971 512 D CA 1.655 55.681 54.000 0.043 0.000 0.867 512 D CB -0.304 40.525 40.800 0.048 0.000 0.929 512 D HN 0.702 nan 8.370 nan 0.000 0.492 513 I N -0.605 120.063 120.570 0.163 0.000 2.761 513 I HA -0.065 4.122 4.170 0.030 0.000 0.261 513 I C 1.999 178.187 176.117 0.117 0.000 1.198 513 I CA -0.266 61.146 61.300 0.186 0.000 1.482 513 I CB -1.296 36.889 38.000 0.307 0.000 1.100 513 I HN -0.076 nan 8.210 nan 0.000 0.445 514 c N -0.241 118.408 118.600 0.082 0.000 2.539 514 c HA 0.139 4.727 4.570 0.030 0.000 0.268 514 c C 2.081 176.180 174.090 0.014 0.000 1.395 514 c CA 0.790 57.143 56.329 0.040 0.000 1.757 514 c CB -1.441 41.076 42.510 0.011 0.000 1.851 514 c HN 0.674 nan 8.230 nan 0.000 0.545 515 T N -0.138 114.425 114.554 0.016 0.000 3.252 515 T HA 0.424 4.792 4.350 0.030 0.000 0.286 515 T C -0.118 174.591 174.700 0.016 0.000 1.013 515 T CA 0.015 62.118 62.100 0.006 0.000 0.914 515 T CB -0.270 68.594 68.868 -0.007 0.000 1.131 515 T HN 0.287 nan 8.240 nan 0.000 0.529 516 L N 2.543 123.784 121.223 0.031 0.000 2.334 516 L HA 0.562 4.920 4.340 0.030 0.000 0.273 516 L C 0.524 177.409 176.870 0.025 0.000 1.013 516 L CA -1.065 53.795 54.840 0.034 0.000 0.816 516 L CB 1.936 44.029 42.059 0.057 0.000 1.278 516 L HN 0.296 nan 8.230 nan 0.000 0.431 517 S N 0.315 116.027 115.700 0.020 0.000 2.593 517 S HA -0.095 4.393 4.470 0.030 0.000 0.300 517 S C 0.979 175.583 174.600 0.008 0.000 1.267 517 S CA -0.037 58.170 58.200 0.011 0.000 1.065 517 S CB 0.673 63.881 63.200 0.013 0.000 0.807 517 S HN 0.837 nan 8.310 nan 0.000 0.499 518 E N 2.633 122.827 120.200 -0.010 0.000 2.086 518 E HA -0.285 4.083 4.350 0.030 0.000 0.205 518 E C 1.304 177.885 176.600 -0.033 0.000 1.027 518 E CA 1.528 57.906 56.400 -0.036 0.000 0.830 518 E CB -0.123 29.542 29.700 -0.058 0.000 0.751 518 E HN 0.807 nan 8.360 nan 0.000 0.456 519 K N -0.008 120.385 120.400 -0.012 0.000 3.025 519 K HA -0.050 4.288 4.320 0.030 0.000 0.260 519 K C 0.527 177.148 176.600 0.035 0.000 1.023 519 K CA 0.271 56.565 56.287 0.012 0.000 1.194 519 K CB 0.269 32.781 32.500 0.019 0.000 1.094 519 K HN 0.075 nan 8.250 nan 0.000 0.460 520 E N -0.898 119.325 120.200 0.039 0.000 2.624 520 E HA -0.001 4.367 4.350 0.030 0.000 0.192 520 E C 0.981 177.629 176.600 0.079 0.000 0.961 520 E CA 0.044 56.478 56.400 0.057 0.000 1.632 520 E CB 0.206 29.933 29.700 0.046 0.000 2.082 520 E HN 0.223 nan 8.360 nan 0.000 1.040 521 R N 1.147 121.686 120.500 0.065 0.000 2.276 521 R HA 0.007 4.365 4.340 0.030 0.000 0.203 521 R C 1.642 178.013 176.300 0.119 0.000 1.017 521 R CA 1.012 57.166 56.100 0.090 0.000 1.010 521 R CB 0.341 30.669 30.300 0.048 0.000 0.900 521 R HN 0.144 nan 8.270 nan 0.000 0.469 522 Q N -0.273 119.589 119.800 0.103 0.000 2.178 522 Q HA 0.050 4.408 4.340 0.030 0.000 0.195 522 Q C 2.054 178.197 176.000 0.238 0.000 0.960 522 Q CA 0.673 56.594 55.803 0.197 0.000 0.843 522 Q CB -0.086 28.778 28.738 0.209 0.000 0.927 522 Q HN 0.247 nan 8.270 nan 0.000 0.487 523 I N 1.528 122.204 120.570 0.177 0.000 2.367 523 I HA -0.336 3.852 4.170 0.030 0.000 0.256 523 I C 2.081 178.288 176.117 0.150 0.000 1.132 523 I CA 1.058 62.444 61.300 0.144 0.000 1.397 523 I CB -0.472 37.591 38.000 0.104 0.000 1.074 523 I HN 0.158 nan 8.210 nan 0.000 0.435 524 K N 1.469 121.978 120.400 0.181 0.000 1.967 524 K HA -0.106 4.232 4.320 0.030 0.000 0.212 524 K C 2.026 178.785 176.600 0.265 0.000 1.044 524 K CA 1.392 57.814 56.287 0.224 0.000 0.942 524 K CB -0.557 32.114 32.500 0.284 0.000 0.726 524 K HN 0.313 nan 8.250 nan 0.000 0.440 525 K N 1.380 121.960 120.400 0.299 0.000 2.059 525 K HA -0.201 4.137 4.320 0.030 0.000 0.212 525 K C 2.114 178.805 176.600 0.152 0.000 1.050 525 K CA 1.660 58.096 56.287 0.249 0.000 0.927 525 K CB -0.183 32.514 32.500 0.328 0.000 0.714 525 K HN 0.291 nan 8.250 nan 0.000 0.447 526 Q N -0.169 119.731 119.800 0.165 0.000 2.500 526 Q HA -0.072 4.286 4.340 0.030 0.000 0.213 526 Q C 1.304 177.350 176.000 0.076 0.000 0.974 526 Q CA 0.936 56.796 55.803 0.095 0.000 0.918 526 Q CB 0.120 28.920 28.738 0.102 0.000 0.980 526 Q HN 0.314 nan 8.270 nan 0.000 0.505 527 T N -0.103 114.509 114.554 0.098 0.000 3.039 527 T HA 0.125 4.493 4.350 0.030 0.000 0.250 527 T C 1.845 176.594 174.700 0.081 0.000 1.052 527 T CA 0.603 62.746 62.100 0.072 0.000 1.125 527 T CB 0.155 69.060 68.868 0.062 0.000 0.908 527 T HN 0.324 nan 8.240 nan 0.000 0.473 528 A N 1.664 124.562 122.820 0.131 0.000 1.898 528 A HA 0.050 4.388 4.320 0.030 0.000 0.216 528 A C 2.153 179.871 177.584 0.224 0.000 1.181 528 A CA 1.011 53.180 52.037 0.220 0.000 0.620 528 A CB -0.767 18.432 19.000 0.332 0.000 0.819 528 A HN 0.360 nan 8.150 nan 0.000 0.442 529 L N 0.280 121.557 121.223 0.089 0.000 1.990 529 L HA -0.156 4.202 4.340 0.030 0.000 0.213 529 L C 2.449 179.362 176.870 0.072 0.000 1.072 529 L CA 2.166 57.029 54.840 0.038 0.000 0.755 529 L CB -0.927 41.123 42.059 -0.015 0.000 0.889 529 L HN 0.177 nan 8.230 nan 0.000 0.432 530 V N 0.111 120.063 119.914 0.063 0.000 2.282 530 V HA -0.308 3.830 4.120 0.030 0.000 0.249 530 V C 2.650 178.805 176.094 0.102 0.000 1.057 530 V CA 2.085 64.419 62.300 0.057 0.000 1.032 530 V CB -0.734 31.113 31.823 0.040 0.000 0.645 530 V HN 0.505 nan 8.190 nan 0.000 0.447 531 E N -0.405 119.884 120.200 0.149 0.000 2.150 531 E HA -0.155 4.213 4.350 0.030 0.000 0.193 531 E C 2.072 178.912 176.600 0.400 0.000 0.985 531 E CA 0.883 57.413 56.400 0.216 0.000 0.814 531 E CB -0.332 29.425 29.700 0.095 0.000 0.752 531 E HN 0.504 nan 8.360 nan 0.000 0.466 532 L N 0.660 122.108 121.223 0.376 0.000 2.027 532 L HA -0.089 4.269 4.340 0.030 0.000 0.206 532 L C 2.201 179.174 176.870 0.171 0.000 1.074 532 L CA 1.329 56.308 54.840 0.232 0.000 0.745 532 L CB -0.680 41.401 42.059 0.037 0.000 0.898 532 L HN -0.136 nan 8.230 nan 0.000 0.433 533 V N -0.015 119.969 119.914 0.116 0.000 2.490 533 V HA -0.260 3.877 4.120 0.030 0.000 0.250 533 V C 2.540 178.705 176.094 0.117 0.000 1.061 533 V CA 1.931 64.275 62.300 0.072 0.000 1.064 533 V CB -0.696 31.140 31.823 0.022 0.000 0.670 533 V HN 0.483 nan 8.190 nan 0.000 0.461 534 K N -0.911 119.591 120.400 0.170 0.000 2.296 534 K HA -0.117 4.220 4.320 0.030 0.000 0.200 534 K C 2.120 178.943 176.600 0.371 0.000 1.048 534 K CA 0.962 57.398 56.287 0.249 0.000 0.966 534 K CB -0.140 32.489 32.500 0.215 0.000 0.754 534 K HN 0.525 nan 8.250 nan 0.000 0.466 535 H N 1.117 120.324 119.070 0.229 0.000 2.415 535 H HA 0.127 4.701 4.556 0.030 0.000 0.297 535 H C -0.282 175.140 175.328 0.156 0.000 1.048 535 H CA 1.099 57.279 56.048 0.219 0.000 1.365 535 H CB 0.496 30.428 29.762 0.282 0.000 1.421 535 H HN -0.178 nan 8.280 nan 0.000 0.533 536 K N 0.851 121.256 120.400 0.009 0.000 2.865 536 K HA 0.156 4.494 4.320 0.030 0.000 0.215 536 K C -2.444 174.162 176.600 0.010 0.000 1.120 536 K CA -1.265 54.969 56.287 -0.088 0.000 1.037 536 K CB 2.460 34.850 32.500 -0.183 0.000 1.233 536 K HN 0.170 nan 8.250 nan 0.000 0.577 537 P HA -0.131 nan 4.420 nan 0.000 0.225 537 P C 0.615 177.933 177.300 0.029 0.000 1.156 537 P CA 0.676 63.816 63.100 0.066 0.000 0.787 537 P CB 0.414 32.200 31.700 0.142 0.000 0.802 538 K N 0.302 120.712 120.400 0.017 0.000 2.442 538 K HA 0.075 4.413 4.320 0.030 0.000 0.198 538 K C 1.143 177.735 176.600 -0.013 0.000 1.042 538 K CA 0.107 56.395 56.287 0.001 0.000 0.958 538 K CB -0.792 31.703 32.500 -0.010 0.000 0.766 538 K HN 0.101 nan 8.250 nan 0.000 0.474 539 A N 1.916 124.724 122.820 -0.019 0.000 2.587 539 A HA 0.012 4.350 4.320 0.030 0.000 0.235 539 A C 0.316 177.885 177.584 -0.025 0.000 1.044 539 A CA 0.500 52.521 52.037 -0.027 0.000 0.754 539 A CB -0.079 18.904 19.000 -0.028 0.000 0.968 539 A HN 0.218 nan 8.150 nan 0.000 0.509 540 T N 2.757 117.295 114.554 -0.027 0.000 2.849 540 T HA 0.232 4.600 4.350 0.030 0.000 0.284 540 T C 1.372 176.055 174.700 -0.028 0.000 1.004 540 T CA -0.677 61.408 62.100 -0.025 0.000 1.021 540 T CB 0.908 69.762 68.868 -0.023 0.000 1.013 540 T HN 0.626 nan 8.240 nan 0.000 0.527 541 K N 1.050 121.434 120.400 -0.027 0.000 2.211 541 K HA -0.085 4.253 4.320 0.030 0.000 0.203 541 K C 1.830 178.415 176.600 -0.025 0.000 1.050 541 K CA 1.385 57.654 56.287 -0.030 0.000 0.945 541 K CB 0.010 32.493 32.500 -0.028 0.000 0.732 541 K HN 0.554 nan 8.250 nan 0.000 0.451 542 E N 0.769 120.957 120.200 -0.021 0.000 2.042 542 E HA -0.051 4.316 4.350 0.030 0.000 0.189 542 E C 2.126 178.713 176.600 -0.021 0.000 0.974 542 E CA 0.720 57.109 56.400 -0.018 0.000 0.806 542 E CB -0.114 29.577 29.700 -0.016 0.000 0.769 542 E HN 0.235 nan 8.360 nan 0.000 0.451 543 Q N 0.158 119.943 119.800 -0.024 0.000 2.045 543 Q HA -0.216 4.141 4.340 0.030 0.000 0.206 543 Q C 2.055 178.036 176.000 -0.032 0.000 0.991 543 Q CA 1.205 56.991 55.803 -0.029 0.000 0.851 543 Q CB -0.290 28.429 28.738 -0.033 0.000 0.911 543 Q HN 0.148 nan 8.270 nan 0.000 0.418 544 L N 1.342 122.545 121.223 -0.033 0.000 1.956 544 L HA -0.247 4.111 4.340 0.030 0.000 0.216 544 L C 2.377 179.230 176.870 -0.029 0.000 1.073 544 L CA 1.976 56.794 54.840 -0.036 0.000 0.762 544 L CB -0.804 41.232 42.059 -0.038 0.000 0.889 544 L HN 0.168 nan 8.230 nan 0.000 0.433 545 K N -0.894 119.492 120.400 -0.022 0.000 2.127 545 K HA -0.256 4.081 4.320 0.030 0.000 0.208 545 K C 1.883 178.481 176.600 -0.003 0.000 1.047 545 K CA 1.596 57.877 56.287 -0.011 0.000 0.927 545 K CB -0.172 32.323 32.500 -0.009 0.000 0.716 545 K HN 0.374 nan 8.250 nan 0.000 0.450 546 A N 0.420 123.234 122.820 -0.010 0.000 1.972 546 A HA -0.091 4.247 4.320 0.030 0.000 0.219 546 A C 2.162 179.744 177.584 -0.004 0.000 1.169 546 A CA 1.599 53.632 52.037 -0.008 0.000 0.635 546 A CB -0.350 18.640 19.000 -0.016 0.000 0.810 546 A HN 0.188 nan 8.150 nan 0.000 0.446 547 V N -0.320 119.586 119.914 -0.013 0.000 2.302 547 V HA -0.230 3.908 4.120 0.030 0.000 0.243 547 V C 2.466 178.580 176.094 0.032 0.000 1.036 547 V CA 1.895 64.187 62.300 -0.014 0.000 1.020 547 V CB -0.723 31.068 31.823 -0.053 0.000 0.657 547 V HN 0.554 nan 8.190 nan 0.000 0.453 548 M N 0.014 119.629 119.600 0.025 0.000 2.623 548 M HA -0.200 4.298 4.480 0.030 0.000 0.258 548 M C 1.328 177.705 176.300 0.128 0.000 1.067 548 M CA 1.468 56.815 55.300 0.080 0.000 1.068 548 M CB -0.542 32.081 32.600 0.039 0.000 1.409 548 M HN 0.423 nan 8.290 nan 0.000 0.504 549 D N 0.069 120.518 120.400 0.081 0.000 2.269 549 D HA -0.079 4.579 4.640 0.030 0.000 0.220 549 D C 1.424 177.764 176.300 0.067 0.000 0.962 549 D CA 0.830 54.870 54.000 0.065 0.000 0.884 549 D CB 0.058 40.878 40.800 0.033 0.000 1.023 549 D HN 0.143 nan 8.370 nan 0.000 0.484 550 D N -0.313 120.122 120.400 0.057 0.000 2.218 550 D HA -0.138 4.520 4.640 0.030 0.000 0.204 550 D C 1.445 177.791 176.300 0.076 0.000 0.976 550 D CA 0.536 54.560 54.000 0.040 0.000 0.853 550 D CB -0.110 40.693 40.800 0.005 0.000 0.939 550 D HN 0.199 nan 8.370 nan 0.000 0.481 551 F N 1.099 121.029 119.950 -0.034 0.000 2.147 551 F HA 0.138 4.683 4.527 0.030 0.000 0.291 551 F C 2.213 178.026 175.800 0.022 0.000 1.093 551 F CA 1.056 59.042 58.000 -0.023 0.000 1.263 551 F CB -0.314 38.642 39.000 -0.074 0.000 1.036 551 F HN -0.070 nan 8.300 nan 0.000 0.481 552 A N 0.724 123.613 122.820 0.114 0.000 1.948 552 A HA -0.158 4.180 4.320 0.030 0.000 0.220 552 A C 2.336 179.851 177.584 -0.114 0.000 1.177 552 A CA 2.101 54.138 52.037 0.001 0.000 0.636 552 A CB -1.565 17.501 19.000 0.110 0.000 0.815 552 A HN 0.551 nan 8.150 nan 0.000 0.449 553 A N -1.268 121.514 122.820 -0.062 0.000 1.854 553 A HA 0.049 4.387 4.320 0.030 0.000 0.214 553 A C 2.043 179.553 177.584 -0.122 0.000 1.192 553 A CA 1.294 53.292 52.037 -0.066 0.000 0.611 553 A CB -0.834 18.156 19.000 -0.016 0.000 0.832 553 A HN 0.753 nan 8.150 nan 0.000 0.442 554 F N 1.013 120.787 119.950 -0.293 0.000 2.111 554 F HA -0.283 4.261 4.527 0.030 0.000 0.300 554 F C 2.080 177.576 175.800 -0.507 0.000 1.088 554 F CA 2.154 59.926 58.000 -0.379 0.000 1.243 554 F CB -0.216 38.530 39.000 -0.423 0.000 0.996 554 F HN 0.062 nan 8.300 nan 0.000 0.483 555 V N 0.407 119.867 119.914 -0.756 0.000 2.233 555 V HA -0.275 3.863 4.120 0.030 0.000 0.247 555 V C 1.827 177.650 176.094 -0.451 0.000 1.050 555 V CA 2.089 63.934 62.300 -0.757 0.000 1.010 555 V CB -0.744 30.760 31.823 -0.532 0.000 0.637 555 V HN 0.416 nan 8.190 nan 0.000 0.444 556 E N 0.845 120.872 120.200 -0.288 0.000 3.473 556 E HA -0.090 4.278 4.350 0.030 0.000 0.309 556 E C 0.801 177.293 176.600 -0.180 0.000 1.502 556 E CA 0.224 56.523 56.400 -0.168 0.000 1.525 556 E CB 0.075 29.707 29.700 -0.113 0.000 1.183 556 E HN 0.564 nan 8.360 nan 0.000 0.757 557 K N -1.489 118.846 120.400 -0.107 0.000 2.872 557 K HA -0.276 4.062 4.320 0.030 0.000 0.243 557 K C 0.501 177.037 176.600 -0.107 0.000 0.919 557 K CA 1.163 57.401 56.287 -0.083 0.000 0.682 557 K CB -2.279 30.185 32.500 -0.061 0.000 1.258 557 K HN 0.454 nan 8.250 nan 0.000 0.485 558 c N -3.235 115.286 118.600 -0.131 0.000 5.397 558 c HA 0.189 4.777 4.570 0.030 0.000 0.398 558 c C 2.384 176.498 174.090 0.039 0.000 1.342 558 c CA 0.164 56.423 56.329 -0.117 0.000 2.210 558 c CB -0.353 41.928 42.510 -0.381 0.000 2.612 558 c HN 0.748 nan 8.230 nan 0.000 0.500 559 c N 1.623 120.238 118.600 0.025 0.000 2.505 559 c HA 0.171 4.759 4.570 0.030 0.000 0.279 559 c C 1.494 175.595 174.090 0.019 0.000 1.316 559 c CA 0.984 57.377 56.329 0.107 0.000 1.720 559 c CB -0.966 41.581 42.510 0.060 0.000 2.050 559 c HN 0.595 nan 8.230 nan 0.000 0.493 560 K N 1.368 121.762 120.400 -0.010 0.000 2.751 560 K HA 0.449 4.786 4.320 0.030 0.000 0.252 560 K C -0.507 176.085 176.600 -0.013 0.000 1.277 560 K CA 0.019 56.296 56.287 -0.016 0.000 1.226 560 K CB 0.069 32.555 32.500 -0.023 0.000 1.658 560 K HN 0.380 nan 8.250 nan 0.000 0.303 561 A N 2.269 125.087 122.820 -0.004 0.000 2.476 561 A HA 0.171 4.509 4.320 0.030 0.000 0.280 561 A C 0.575 178.161 177.584 0.003 0.000 1.081 561 A CA -0.938 51.100 52.037 0.001 0.000 0.753 561 A CB 0.556 19.562 19.000 0.009 0.000 1.248 561 A HN 0.572 nan 8.150 nan 0.000 0.424 562 D N 2.124 122.524 120.400 -0.001 0.000 2.164 562 D HA -0.304 4.354 4.640 0.030 0.000 0.595 562 D C 0.391 176.689 176.300 -0.004 0.000 0.823 562 D CA 2.160 56.159 54.000 -0.002 0.000 1.672 562 D CB -0.629 40.172 40.800 0.002 0.000 0.508 562 D HN 0.571 nan 8.370 nan 0.000 0.376 563 D N 1.177 121.580 120.400 0.004 0.000 2.498 563 D HA 0.018 4.675 4.640 0.030 0.000 0.229 563 D C 1.250 177.548 176.300 -0.003 0.000 1.188 563 D CA -0.045 53.956 54.000 0.002 0.000 1.028 563 D CB 0.067 40.877 40.800 0.016 0.000 1.087 563 D HN 0.341 nan 8.370 nan 0.000 0.510 564 K N 1.950 122.330 120.400 -0.034 0.000 2.444 564 K HA -0.211 4.127 4.320 0.030 0.000 0.200 564 K C 1.180 177.673 176.600 -0.179 0.000 1.045 564 K CA 1.203 57.440 56.287 -0.083 0.000 0.934 564 K CB 0.253 32.685 32.500 -0.113 0.000 0.756 564 K HN 0.387 nan 8.250 nan 0.000 0.477 565 E N -1.182 118.955 120.200 -0.106 0.000 2.601 565 E HA 0.034 4.402 4.350 0.030 0.000 0.219 565 E C 0.504 177.141 176.600 0.062 0.000 0.964 565 E CA -0.084 56.247 56.400 -0.116 0.000 1.050 565 E CB 0.568 30.201 29.700 -0.112 0.000 1.068 565 E HN 0.164 nan 8.360 nan 0.000 0.496 566 T N 0.691 115.297 114.554 0.087 0.000 2.559 566 T HA -0.137 4.231 4.350 0.030 0.000 0.251 566 T C 1.183 176.001 174.700 0.197 0.000 1.122 566 T CA 1.160 63.329 62.100 0.114 0.000 1.231 566 T CB -0.630 68.289 68.868 0.085 0.000 0.881 566 T HN 0.514 nan 8.240 nan 0.000 0.397 567 c N 0.767 119.493 118.600 0.210 0.000 2.590 567 c HA 0.485 5.072 4.570 0.030 0.000 0.411 567 c C 0.733 175.092 174.090 0.448 0.000 1.420 567 c CA -0.985 55.504 56.329 0.267 0.000 1.643 567 c CB -1.936 40.670 42.510 0.160 0.000 2.528 567 c HN 0.681 nan 8.230 nan 0.000 0.606 568 F N 0.798 120.936 119.950 0.313 0.000 1.539 568 F HA 0.042 4.587 4.527 0.030 0.000 0.486 568 F C 1.803 177.787 175.800 0.306 0.000 0.717 568 F CA 0.762 58.990 58.000 0.381 0.000 2.357 568 F CB -1.473 37.593 39.000 0.109 0.000 3.228 568 F HN 0.619 nan 8.300 nan 0.000 0.226 569 A N -1.066 121.970 122.820 0.359 0.000 2.259 569 A HA 0.409 4.747 4.320 0.030 0.000 0.213 569 A C 1.320 179.005 177.584 0.168 0.000 1.209 569 A CA 1.164 53.320 52.037 0.198 0.000 0.910 569 A CB 0.120 19.195 19.000 0.124 0.000 0.946 569 A HN 0.317 nan 8.150 nan 0.000 0.497 570 E N 0.473 120.793 120.200 0.200 0.000 2.068 570 E HA 0.086 4.454 4.350 0.030 0.000 0.201 570 E C 1.456 178.141 176.600 0.143 0.000 0.947 570 E CA 0.668 57.157 56.400 0.149 0.000 0.909 570 E CB -0.183 29.602 29.700 0.142 0.000 1.015 570 E HN 0.400 nan 8.360 nan 0.000 0.484 571 E N -0.282 120.043 120.200 0.209 0.000 2.455 571 E HA -0.107 4.261 4.350 0.030 0.000 0.202 571 E C 1.535 178.126 176.600 -0.014 0.000 1.045 571 E CA 0.594 57.103 56.400 0.181 0.000 0.872 571 E CB -0.113 29.806 29.700 0.365 0.000 0.792 571 E HN 0.419 nan 8.360 nan 0.000 0.542 572 G N 1.138 109.980 108.800 0.070 0.000 2.464 572 G HA2 -0.206 3.772 3.960 0.030 0.000 0.217 572 G HA3 -0.206 3.772 3.960 0.030 0.000 0.217 572 G C 1.414 176.269 174.900 -0.077 0.000 1.138 572 G CA 0.191 45.207 45.100 -0.139 0.000 0.793 572 G HN 0.133 nan 8.290 nan 0.000 0.539 573 K N 0.391 120.794 120.400 0.005 0.000 2.116 573 K HA 0.075 4.413 4.320 0.030 0.000 0.203 573 K C 2.389 178.974 176.600 -0.026 0.000 1.052 573 K CA 0.641 56.940 56.287 0.019 0.000 0.952 573 K CB -0.048 32.478 32.500 0.042 0.000 0.729 573 K HN 0.134 nan 8.250 nan 0.000 0.446 574 K N 0.847 121.217 120.400 -0.050 0.000 2.057 574 K HA -0.141 4.197 4.320 0.030 0.000 0.207 574 K C 2.116 178.652 176.600 -0.106 0.000 1.049 574 K CA 0.971 57.220 56.287 -0.063 0.000 0.931 574 K CB -0.144 32.326 32.500 -0.050 0.000 0.714 574 K HN -0.006 nan 8.250 nan 0.000 0.440 575 L N 0.683 121.791 121.223 -0.192 0.000 1.976 575 L HA -0.181 4.176 4.340 0.030 0.000 0.209 575 L C 2.132 178.925 176.870 -0.128 0.000 1.071 575 L CA 1.383 56.093 54.840 -0.217 0.000 0.746 575 L CB -0.415 41.388 42.059 -0.426 0.000 0.890 575 L HN -0.095 nan 8.230 nan 0.000 0.432 576 V N -0.260 119.606 119.914 -0.080 0.000 2.568 576 V HA -0.310 3.828 4.120 0.030 0.000 0.253 576 V C 2.506 178.560 176.094 -0.066 0.000 1.072 576 V CA 1.631 63.927 62.300 -0.007 0.000 1.084 576 V CB -1.091 30.818 31.823 0.143 0.000 0.676 576 V HN 0.583 nan 8.190 nan 0.000 0.469 577 A N -0.675 122.105 122.820 -0.067 0.000 1.943 577 A HA 0.246 4.584 4.320 0.030 0.000 0.213 577 A C 2.337 179.867 177.584 -0.089 0.000 1.181 577 A CA 1.273 53.260 52.037 -0.083 0.000 0.653 577 A CB -0.407 18.561 19.000 -0.052 0.000 0.833 577 A HN 0.500 nan 8.150 nan 0.000 0.451 578 A N -0.567 122.205 122.820 -0.081 0.000 1.897 578 A HA 0.015 4.353 4.320 0.030 0.000 0.215 578 A C 2.390 179.925 177.584 -0.081 0.000 1.181 578 A CA 1.821 53.814 52.037 -0.074 0.000 0.620 578 A CB -0.754 18.205 19.000 -0.068 0.000 0.821 578 A HN 0.385 nan 8.150 nan 0.000 0.443 579 S N 0.335 115.979 115.700 -0.094 0.000 2.368 579 S HA -0.196 4.291 4.470 0.030 0.000 0.225 579 S C 2.079 176.617 174.600 -0.103 0.000 1.030 579 S CA 1.640 59.781 58.200 -0.098 0.000 0.999 579 S CB -0.372 62.759 63.200 -0.116 0.000 0.844 579 S HN 0.835 nan 8.310 nan 0.000 0.459 580 Q N 0.473 120.197 119.800 -0.127 0.000 2.435 580 Q HA 0.267 4.624 4.340 0.030 0.000 0.207 580 Q C 1.868 177.805 176.000 -0.105 0.000 0.956 580 Q CA 0.834 56.562 55.803 -0.126 0.000 0.917 580 Q CB -0.230 28.387 28.738 -0.201 0.000 0.997 580 Q HN 0.489 nan 8.270 nan 0.000 0.497 581 A N 1.312 124.076 122.820 -0.093 0.000 2.072 581 A HA 0.305 4.643 4.320 0.030 0.000 0.216 581 A C 1.959 179.506 177.584 -0.062 0.000 1.156 581 A CA 0.857 52.850 52.037 -0.073 0.000 0.701 581 A CB -0.050 18.912 19.000 -0.065 0.000 0.816 581 A HN 0.396 nan 8.150 nan 0.000 0.458 582 A N -0.958 121.824 122.820 -0.064 0.000 2.545 582 A HA 0.626 4.964 4.320 0.030 0.000 0.277 582 A C 0.790 178.340 177.584 -0.057 0.000 1.301 582 A CA -0.035 51.969 52.037 -0.054 0.000 0.935 582 A CB -0.192 18.778 19.000 -0.050 0.000 1.093 582 A HN 0.365 nan 8.150 nan 0.000 0.519 583 L N -1.715 119.469 121.223 -0.066 0.000 3.689 583 L HA 0.313 4.671 4.340 0.030 0.000 0.344 583 L C 1.110 177.933 176.870 -0.079 0.000 1.221 583 L CA 0.055 54.852 54.840 -0.071 0.000 1.171 583 L CB 0.021 42.032 42.059 -0.080 0.000 1.540 583 L HN 0.513 nan 8.230 nan 0.000 0.631 584 G N 0.000 108.758 108.800 -0.070 0.000 5.446 584 G HA2 0.000 3.978 3.960 0.030 0.000 0.244 584 G HA3 0.000 3.978 3.960 0.030 0.000 0.244 584 G CA 0.000 45.060 45.100 -0.066 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925