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 1e7i_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 0.000 175.306 175.328 -0.036 0.000 0.993 3 H CA 0.000 55.995 56.048 -0.088 0.000 1.023 3 H CB 0.000 29.670 29.762 -0.153 0.000 1.292 4 K N 0.049 120.468 120.400 0.032 0.000 2.228 4 K HA 0.156 4.486 4.320 0.016 0.000 0.202 4 K C 0.625 177.242 176.600 0.028 0.000 1.051 4 K CA 0.849 57.156 56.287 0.034 0.000 0.960 4 K CB 0.435 32.942 32.500 0.012 0.000 0.743 4 K HN 0.191 nan 8.250 nan 0.000 0.458 5 S N 0.150 115.840 115.700 -0.016 0.000 2.519 5 S HA 0.342 4.822 4.470 0.016 0.000 0.309 5 S C 0.348 174.940 174.600 -0.014 0.000 1.100 5 S CA -0.670 57.522 58.200 -0.013 0.000 1.059 5 S CB 1.679 64.842 63.200 -0.062 0.000 1.008 5 S HN 0.489 nan 8.310 nan 0.000 0.478 6 E N 2.457 122.703 120.200 0.076 0.000 2.072 6 E HA -0.108 4.252 4.350 0.016 0.000 0.190 6 E C 1.846 178.523 176.600 0.128 0.000 0.982 6 E CA 1.411 57.893 56.400 0.137 0.000 0.803 6 E CB 0.048 29.861 29.700 0.188 0.000 0.755 6 E HN 0.701 nan 8.360 nan 0.000 0.453 7 V N 0.248 120.228 119.914 0.111 0.000 2.295 7 V HA -0.211 3.919 4.120 0.016 0.000 0.246 7 V C 2.405 178.481 176.094 -0.030 0.000 1.049 7 V CA 1.768 64.127 62.300 0.098 0.000 1.024 7 V CB -1.244 30.638 31.823 0.098 0.000 0.648 7 V HN 0.253 nan 8.190 nan 0.000 0.447 8 A N -0.487 122.274 122.820 -0.097 0.000 1.972 8 A HA -0.251 4.078 4.320 0.016 0.000 0.219 8 A C 2.325 179.890 177.584 -0.032 0.000 1.169 8 A CA 1.893 53.853 52.037 -0.129 0.000 0.635 8 A CB -1.010 17.897 19.000 -0.155 0.000 0.810 8 A HN 0.793 nan 8.150 nan 0.000 0.446 9 H N -1.045 117.941 119.070 -0.139 0.000 2.363 9 H HA -0.015 4.550 4.556 0.016 0.000 0.301 9 H C 2.109 177.413 175.328 -0.040 0.000 1.074 9 H CA 1.110 57.060 56.048 -0.163 0.000 1.354 9 H CB 0.083 29.592 29.762 -0.422 0.000 1.397 9 H HN 0.228 nan 8.280 nan 0.000 0.516 10 R N 0.225 120.664 120.500 -0.102 0.000 2.090 10 R HA -0.106 4.243 4.340 0.016 0.000 0.228 10 R C 2.286 178.530 176.300 -0.092 0.000 1.110 10 R CA 0.683 56.734 56.100 -0.083 0.000 0.973 10 R CB -1.263 29.105 30.300 0.115 0.000 0.869 10 R HN 0.333 nan 8.270 nan 0.000 0.440 11 F N 2.245 121.993 119.950 -0.336 0.000 2.134 11 F HA -0.238 4.298 4.527 0.016 0.000 0.299 11 F C 2.521 178.138 175.800 -0.306 0.000 1.097 11 F CA 2.521 60.181 58.000 -0.567 0.000 1.264 11 F CB -0.229 38.310 39.000 -0.769 0.000 1.001 11 F HN 0.039 nan 8.300 nan 0.000 0.479 12 K N -0.222 120.174 120.400 -0.007 0.000 2.103 12 K HA -0.116 4.214 4.320 0.016 0.000 0.204 12 K C 1.767 178.286 176.600 -0.135 0.000 1.052 12 K CA 1.847 58.111 56.287 -0.037 0.000 0.945 12 K CB -1.288 31.214 32.500 0.004 0.000 0.722 12 K HN 0.377 nan 8.250 nan 0.000 0.443 13 D N -0.032 120.247 120.400 -0.202 0.000 2.097 13 D HA -0.044 4.605 4.640 0.016 0.000 0.197 13 D C 1.835 178.061 176.300 -0.124 0.000 0.984 13 D CA 0.805 54.697 54.000 -0.180 0.000 0.826 13 D CB 0.036 40.672 40.800 -0.273 0.000 0.973 13 D HN 0.183 nan 8.370 nan 0.000 0.460 14 L N -0.427 120.715 121.223 -0.135 0.000 2.023 14 L HA 0.223 4.572 4.340 0.016 0.000 0.205 14 L C 1.293 178.071 176.870 -0.154 0.000 1.073 14 L CA 1.512 56.296 54.840 -0.093 0.000 0.745 14 L CB -1.074 40.977 42.059 -0.014 0.000 0.900 14 L HN 0.233 nan 8.230 nan 0.000 0.435 15 G N -1.314 107.286 108.800 -0.332 0.000 2.617 15 G HA2 -0.163 3.807 3.960 0.016 0.000 0.686 15 G HA3 -0.163 3.807 3.960 0.016 0.000 0.686 15 G C 0.405 174.989 174.900 -0.526 0.000 1.214 15 G CA 0.060 44.932 45.100 -0.380 0.000 0.796 15 G HN 0.216 nan 8.290 nan 0.000 0.654 16 E N -0.068 119.802 120.200 -0.550 0.000 2.058 16 E HA -0.186 4.173 4.350 0.016 0.000 0.194 16 E C 2.109 178.679 176.600 -0.050 0.000 0.997 16 E CA 1.997 58.189 56.400 -0.347 0.000 0.801 16 E CB -0.027 29.642 29.700 -0.051 0.000 0.746 16 E HN 0.490 nan 8.360 nan 0.000 0.450 17 E N 0.803 120.981 120.200 -0.036 0.000 2.023 17 E HA -0.186 4.173 4.350 0.016 0.000 0.196 17 E C 1.902 178.518 176.600 0.027 0.000 1.003 17 E CA 1.199 57.609 56.400 0.017 0.000 0.809 17 E CB -0.538 29.171 29.700 0.015 0.000 0.755 17 E HN 0.403 nan 8.360 nan 0.000 0.449 18 N N -0.012 118.694 118.700 0.010 0.000 2.244 18 N HA -0.134 4.616 4.740 0.016 0.000 0.183 18 N C 1.873 177.404 175.510 0.035 0.000 1.016 18 N CA 0.549 53.610 53.050 0.019 0.000 0.866 18 N CB -0.341 38.157 38.487 0.017 0.000 0.980 18 N HN 0.085 nan 8.380 nan 0.000 0.430 19 F N 2.886 122.761 119.950 -0.125 0.000 2.046 19 F HA -0.131 4.406 4.527 0.016 0.000 0.297 19 F C 2.256 178.054 175.800 -0.003 0.000 1.123 19 F CA 1.504 59.453 58.000 -0.086 0.000 1.199 19 F CB -0.203 38.698 39.000 -0.165 0.000 0.972 19 F HN -0.166 nan 8.300 nan 0.000 0.474 20 K N 0.138 120.591 120.400 0.088 0.000 2.113 20 K HA -0.224 4.106 4.320 0.016 0.000 0.208 20 K C 2.221 178.788 176.600 -0.055 0.000 1.047 20 K CA 1.324 57.620 56.287 0.014 0.000 0.928 20 K CB -0.668 31.889 32.500 0.095 0.000 0.716 20 K HN 0.406 nan 8.250 nan 0.000 0.446 21 A N 1.380 124.178 122.820 -0.036 0.000 1.855 21 A HA -0.103 4.227 4.320 0.016 0.000 0.215 21 A C 2.176 179.706 177.584 -0.090 0.000 1.191 21 A CA 1.099 53.113 52.037 -0.038 0.000 0.613 21 A CB -0.578 18.414 19.000 -0.014 0.000 0.829 21 A HN 0.149 nan 8.150 nan 0.000 0.442 22 L N -0.343 120.795 121.223 -0.142 0.000 2.141 22 L HA -0.139 4.211 4.340 0.016 0.000 0.209 22 L C 2.452 179.191 176.870 -0.220 0.000 1.094 22 L CA 0.756 55.480 54.840 -0.194 0.000 0.763 22 L CB -0.407 41.527 42.059 -0.209 0.000 0.908 22 L HN 0.239 nan 8.230 nan 0.000 0.437 23 V N -0.236 119.512 119.914 -0.278 0.000 2.343 23 V HA -0.280 3.849 4.120 0.016 0.000 0.247 23 V C 2.338 178.466 176.094 0.058 0.000 1.051 23 V CA 1.632 63.834 62.300 -0.164 0.000 1.036 23 V CB -0.372 31.297 31.823 -0.256 0.000 0.654 23 V HN 0.327 nan 8.190 nan 0.000 0.451 24 L N 0.173 121.387 121.223 -0.015 0.000 1.994 24 L HA -0.135 4.214 4.340 0.016 0.000 0.208 24 L C 2.227 179.097 176.870 -0.001 0.000 1.071 24 L CA 1.976 56.822 54.840 0.010 0.000 0.745 24 L CB -0.492 41.565 42.059 -0.002 0.000 0.892 24 L HN 0.214 nan 8.230 nan 0.000 0.431 25 I N -0.174 120.372 120.570 -0.039 0.000 2.208 25 I HA -0.339 3.841 4.170 0.016 0.000 0.245 25 I C 2.604 178.679 176.117 -0.069 0.000 1.097 25 I CA 1.260 62.522 61.300 -0.063 0.000 1.363 25 I CB -0.784 37.155 38.000 -0.101 0.000 1.051 25 I HN 0.418 nan 8.210 nan 0.000 0.413 26 A N 0.578 123.344 122.820 -0.090 0.000 1.902 26 A HA -0.182 4.148 4.320 0.016 0.000 0.217 26 A C 2.040 179.639 177.584 0.023 0.000 1.181 26 A CA 1.493 53.456 52.037 -0.123 0.000 0.623 26 A CB -0.913 17.868 19.000 -0.365 0.000 0.818 26 A HN 0.355 nan 8.150 nan 0.000 0.443 27 F N -0.320 119.650 119.950 0.032 0.000 2.661 27 F HA 0.133 4.669 4.527 0.016 0.000 0.298 27 F C 2.439 178.092 175.800 -0.245 0.000 1.137 27 F CA 0.668 58.662 58.000 -0.011 0.000 1.454 27 F CB 0.051 39.004 39.000 -0.078 0.000 1.103 27 F HN 0.266 nan 8.300 nan 0.000 0.577 28 A N -0.969 121.771 122.820 -0.134 0.000 2.081 28 A HA -0.039 4.290 4.320 0.016 0.000 0.214 28 A C 2.019 179.569 177.584 -0.056 0.000 1.158 28 A CA 0.444 52.356 52.037 -0.209 0.000 0.724 28 A CB -0.293 18.607 19.000 -0.166 0.000 0.826 28 A HN 0.355 nan 8.150 nan 0.000 0.463 29 Q N -1.483 118.298 119.800 -0.033 0.000 2.245 29 Q HA 0.002 4.351 4.340 0.016 0.000 0.201 29 Q C -0.373 175.531 176.000 -0.161 0.000 0.955 29 Q CA 0.680 56.415 55.803 -0.113 0.000 0.870 29 Q CB 0.017 28.646 28.738 -0.182 0.000 0.945 29 Q HN 0.739 nan 8.270 nan 0.000 0.461 30 Y N -0.884 119.366 120.300 -0.082 0.000 2.534 30 Y HA 0.232 4.792 4.550 0.016 0.000 0.329 30 Y C 0.243 176.104 175.900 -0.064 0.000 1.154 30 Y CA -1.348 56.687 58.100 -0.109 0.000 1.192 30 Y CB 0.947 39.280 38.460 -0.213 0.000 1.275 30 Y HN -0.164 nan 8.280 nan 0.000 0.491 31 L N 0.938 122.168 121.223 0.012 0.000 3.597 31 L HA -0.288 4.062 4.340 0.016 0.000 0.440 31 L C 0.642 177.734 176.870 0.370 0.000 1.277 31 L CA 0.702 55.588 54.840 0.076 0.000 0.852 31 L CB -1.433 40.787 42.059 0.268 0.000 1.708 31 L HN 0.803 nan 8.230 nan 0.000 0.885 32 Q N -1.629 118.345 119.800 0.290 0.000 2.373 32 Q HA -0.000 4.349 4.340 0.016 0.000 0.206 32 Q C 1.289 177.436 176.000 0.247 0.000 0.942 32 Q CA 0.426 56.363 55.803 0.223 0.000 0.953 32 Q CB 0.152 28.948 28.738 0.097 0.000 1.022 32 Q HN 0.567 nan 8.270 nan 0.000 0.502 33 Q N -0.535 119.485 119.800 0.367 0.000 2.164 33 Q HA 0.191 4.540 4.340 0.016 0.000 0.226 33 Q C -0.524 175.578 176.000 0.170 0.000 0.813 33 Q CA -0.010 55.911 55.803 0.197 0.000 0.978 33 Q CB 0.889 29.642 28.738 0.026 0.000 1.149 33 Q HN 0.318 nan 8.270 nan 0.000 0.489 34 C N 2.141 121.597 119.300 0.260 0.000 2.520 34 C HA 0.492 4.962 4.460 0.016 0.000 0.376 34 C C -2.004 173.009 174.990 0.037 0.000 1.268 34 C CA -1.329 57.721 59.018 0.053 0.000 2.414 34 C CB 0.574 28.232 27.740 -0.138 0.000 2.521 34 C HN 0.340 nan 8.230 nan 0.000 0.618 35 P HA 0.098 nan 4.420 nan 0.000 0.272 35 P C 0.392 177.578 177.300 -0.190 0.000 1.240 35 P CA -0.162 62.910 63.100 -0.046 0.000 0.791 35 P CB 0.284 31.942 31.700 -0.070 0.000 0.978 36 F N 1.936 121.599 119.950 -0.479 0.000 2.084 36 F HA -0.199 4.338 4.527 0.016 0.000 0.296 36 F C 1.797 177.393 175.800 -0.340 0.000 1.111 36 F CA 1.796 59.355 58.000 -0.735 0.000 1.224 36 F CB -0.659 37.877 39.000 -0.773 0.000 0.991 36 F HN 0.282 nan 8.300 nan 0.000 0.471 37 E N 0.314 120.423 120.200 -0.152 0.000 2.187 37 E HA -0.252 4.107 4.350 0.016 0.000 0.199 37 E C 1.705 178.151 176.600 -0.258 0.000 1.004 37 E CA 1.752 58.038 56.400 -0.190 0.000 0.813 37 E CB -0.581 29.083 29.700 -0.060 0.000 0.736 37 E HN 0.460 nan 8.360 nan 0.000 0.468 38 D N -0.575 119.672 120.400 -0.256 0.000 2.097 38 D HA -0.113 4.536 4.640 0.016 0.000 0.197 38 D C 1.754 177.883 176.300 -0.285 0.000 0.984 38 D CA 0.992 54.837 54.000 -0.260 0.000 0.826 38 D CB -0.092 40.545 40.800 -0.272 0.000 0.973 38 D HN 0.245 nan 8.370 nan 0.000 0.460 39 H N -0.341 118.574 119.070 -0.258 0.000 2.389 39 H HA 0.006 4.572 4.556 0.016 0.000 0.299 39 H C 2.217 177.322 175.328 -0.371 0.000 1.081 39 H CA 0.497 56.383 56.048 -0.270 0.000 1.345 39 H CB -0.403 29.269 29.762 -0.151 0.000 1.393 39 H HN 0.039 nan 8.280 nan 0.000 0.520 40 V N 0.710 120.388 119.914 -0.393 0.000 2.490 40 V HA -0.211 3.919 4.120 0.016 0.000 0.250 40 V C 2.495 178.445 176.094 -0.240 0.000 1.061 40 V CA 1.624 63.686 62.300 -0.398 0.000 1.064 40 V CB -0.321 31.168 31.823 -0.557 0.000 0.670 40 V HN 0.238 nan 8.190 nan 0.000 0.461 41 K N -0.860 119.408 120.400 -0.220 0.000 2.155 41 K HA -0.013 4.316 4.320 0.016 0.000 0.203 41 K C 1.939 178.434 176.600 -0.175 0.000 1.052 41 K CA 0.749 56.937 56.287 -0.165 0.000 0.948 41 K CB -0.426 31.984 32.500 -0.150 0.000 0.728 41 K HN 0.330 nan 8.250 nan 0.000 0.448 42 L N 0.050 121.126 121.223 -0.245 0.000 2.007 42 L HA -0.022 4.327 4.340 0.016 0.000 0.205 42 L C 2.345 179.052 176.870 -0.272 0.000 1.073 42 L CA 1.447 56.076 54.840 -0.352 0.000 0.744 42 L CB -0.992 40.677 42.059 -0.649 0.000 0.898 42 L HN 0.014 nan 8.230 nan 0.000 0.435 43 V N 0.386 120.159 119.914 -0.235 0.000 2.370 43 V HA -0.343 3.786 4.120 0.016 0.000 0.252 43 V C 2.295 178.378 176.094 -0.020 0.000 1.068 43 V CA 1.834 64.069 62.300 -0.109 0.000 1.061 43 V CB -0.728 31.041 31.823 -0.091 0.000 0.656 43 V HN 0.508 nan 8.190 nan 0.000 0.455 44 N N -0.394 118.279 118.700 -0.044 0.000 2.216 44 N HA -0.116 4.633 4.740 0.016 0.000 0.183 44 N C 1.881 177.407 175.510 0.028 0.000 1.017 44 N CA 1.155 54.208 53.050 0.005 0.000 0.861 44 N CB -0.147 38.326 38.487 -0.024 0.000 0.986 44 N HN 0.592 nan 8.380 nan 0.000 0.428 45 E N 0.062 120.255 120.200 -0.013 0.000 2.028 45 E HA -0.055 4.305 4.350 0.016 0.000 0.191 45 E C 1.801 178.456 176.600 0.092 0.000 0.988 45 E CA 0.764 57.169 56.400 0.007 0.000 0.799 45 E CB 0.108 29.772 29.700 -0.060 0.000 0.755 45 E HN -0.010 nan 8.360 nan 0.000 0.447 46 V N 0.792 120.763 119.914 0.095 0.000 2.594 46 V HA -0.223 3.906 4.120 0.016 0.000 0.253 46 V C 2.136 178.471 176.094 0.402 0.000 1.069 46 V CA 1.943 64.393 62.300 0.250 0.000 1.082 46 V CB -0.436 31.521 31.823 0.223 0.000 0.680 46 V HN 0.351 nan 8.190 nan 0.000 0.469 47 T N -1.006 113.744 114.554 0.328 0.000 2.896 47 T HA -0.115 4.244 4.350 0.016 0.000 0.263 47 T C 1.949 176.753 174.700 0.173 0.000 1.050 47 T CA 1.164 63.505 62.100 0.402 0.000 1.140 47 T CB -0.120 68.961 68.868 0.356 0.000 0.877 47 T HN 0.327 nan 8.240 nan 0.000 0.457 48 E N 0.791 121.069 120.200 0.129 0.000 2.152 48 E HA -0.004 4.356 4.350 0.016 0.000 0.192 48 E C 1.668 178.290 176.600 0.037 0.000 0.983 48 E CA 0.487 56.917 56.400 0.049 0.000 0.818 48 E CB -0.430 29.304 29.700 0.056 0.000 0.758 48 E HN 0.480 nan 8.360 nan 0.000 0.467 49 F N 1.000 120.938 119.950 -0.019 0.000 2.075 49 F HA -0.084 4.452 4.527 0.016 0.000 0.297 49 F C 2.066 177.808 175.800 -0.096 0.000 1.113 49 F CA 1.890 59.873 58.000 -0.030 0.000 1.218 49 F CB -0.853 38.161 39.000 0.025 0.000 0.984 49 F HN 0.037 nan 8.300 nan 0.000 0.472 50 A N 0.129 122.799 122.820 -0.250 0.000 2.024 50 A HA -0.226 4.104 4.320 0.016 0.000 0.220 50 A C 2.268 179.358 177.584 -0.822 0.000 1.164 50 A CA 1.839 53.540 52.037 -0.560 0.000 0.643 50 A CB -0.800 17.947 19.000 -0.422 0.000 0.806 50 A HN 0.516 nan 8.150 nan 0.000 0.451 51 K N -1.229 118.751 120.400 -0.701 0.000 2.217 51 K HA -0.048 4.281 4.320 0.016 0.000 0.202 51 K C 1.912 178.264 176.600 -0.414 0.000 1.051 51 K CA 1.380 57.283 56.287 -0.640 0.000 0.952 51 K CB -0.136 32.132 32.500 -0.387 0.000 0.736 51 K HN 0.486 nan 8.250 nan 0.000 0.453 52 T N 0.475 114.804 114.554 -0.374 0.000 2.770 52 T HA -0.130 4.229 4.350 0.016 0.000 0.263 52 T C 1.979 176.484 174.700 -0.324 0.000 1.039 52 T CA 1.042 62.972 62.100 -0.284 0.000 1.142 52 T CB -0.233 68.498 68.868 -0.228 0.000 0.868 52 T HN 0.299 nan 8.240 nan 0.000 0.435 53 c N 1.125 119.437 118.600 -0.480 0.000 2.432 53 c HA 0.043 4.623 4.570 0.016 0.000 0.280 53 c C 2.808 176.725 174.090 -0.289 0.000 1.353 53 c CA -0.044 56.048 56.329 -0.396 0.000 1.766 53 c CB -1.175 41.029 42.510 -0.510 0.000 1.924 53 c HN 0.337 nan 8.230 nan 0.000 0.509 54 V N 1.228 120.939 119.914 -0.339 0.000 2.427 54 V HA -0.161 3.969 4.120 0.016 0.000 0.248 54 V C 2.649 178.643 176.094 -0.167 0.000 1.051 54 V CA 2.135 64.285 62.300 -0.250 0.000 1.048 54 V CB -0.996 30.631 31.823 -0.326 0.000 0.666 54 V HN 0.597 nan 8.190 nan 0.000 0.456 55 A N -0.541 122.175 122.820 -0.173 0.000 1.897 55 A HA -0.078 4.251 4.320 0.016 0.000 0.215 55 A C 1.240 178.768 177.584 -0.093 0.000 1.181 55 A CA 1.578 53.546 52.037 -0.116 0.000 0.620 55 A CB -0.059 18.874 19.000 -0.111 0.000 0.821 55 A HN 0.536 nan 8.150 nan 0.000 0.443 56 D N -1.116 119.220 120.400 -0.108 0.000 2.336 56 D HA 0.272 4.922 4.640 0.016 0.000 0.248 56 D C 0.297 176.543 176.300 -0.090 0.000 1.326 56 D CA -0.285 53.667 54.000 -0.080 0.000 0.973 56 D CB 0.617 41.380 40.800 -0.062 0.000 1.255 56 D HN 0.391 nan 8.370 nan 0.000 0.558 57 E N 0.563 120.717 120.200 -0.078 0.000 2.455 57 E HA -0.092 4.267 4.350 0.016 0.000 0.202 57 E C 0.853 177.426 176.600 -0.044 0.000 1.045 57 E CA 0.732 57.088 56.400 -0.072 0.000 0.872 57 E CB 0.019 29.686 29.700 -0.055 0.000 0.792 57 E HN 0.190 nan 8.360 nan 0.000 0.542 58 S N 0.281 115.961 115.700 -0.034 0.000 2.556 58 S HA 0.312 4.791 4.470 0.016 0.000 0.216 58 S C 0.777 175.373 174.600 -0.007 0.000 0.970 58 S CA -0.095 58.098 58.200 -0.012 0.000 0.912 58 S CB 0.517 63.712 63.200 -0.008 0.000 0.790 58 S HN 0.414 nan 8.310 nan 0.000 0.504 59 A N 2.203 125.009 122.820 -0.025 0.000 2.477 59 A HA 0.506 4.836 4.320 0.016 0.000 0.246 59 A C 0.689 178.294 177.584 0.034 0.000 1.078 59 A CA 0.034 52.065 52.037 -0.011 0.000 0.770 59 A CB -0.559 18.413 19.000 -0.047 0.000 1.011 59 A HN 0.588 nan 8.150 nan 0.000 0.494 60 E N 2.422 122.658 120.200 0.059 0.000 3.231 60 E HA -0.043 4.316 4.350 0.016 0.000 0.271 60 E C 0.884 177.592 176.600 0.181 0.000 0.877 60 E CA 0.821 57.279 56.400 0.096 0.000 0.973 60 E CB -0.709 29.043 29.700 0.086 0.000 0.922 60 E HN 1.024 nan 8.360 nan 0.000 0.532 61 N N -0.031 118.766 118.700 0.161 0.000 2.927 61 N HA -0.279 4.470 4.740 0.016 0.000 0.215 61 N C 1.418 177.118 175.510 0.317 0.000 0.868 61 N CA 1.615 54.796 53.050 0.218 0.000 1.075 61 N CB -2.227 36.384 38.487 0.206 0.000 0.989 61 N HN 0.777 nan 8.380 nan 0.000 0.609 62 c N 2.077 120.826 118.600 0.248 0.000 2.401 62 c HA -0.143 4.437 4.570 0.016 0.000 0.286 62 c C 2.300 176.455 174.090 0.109 0.000 1.332 62 c CA 1.217 57.613 56.329 0.112 0.000 1.795 62 c CB -1.123 41.348 42.510 -0.064 0.000 1.922 62 c HN 0.585 nan 8.230 nan 0.000 0.520 63 D N 0.784 121.249 120.400 0.109 0.000 2.149 63 D HA -0.080 4.570 4.640 0.016 0.000 0.201 63 D C 0.617 176.985 176.300 0.114 0.000 0.972 63 D CA 0.566 54.621 54.000 0.091 0.000 0.835 63 D CB -0.397 40.446 40.800 0.071 0.000 0.966 63 D HN 0.449 nan 8.370 nan 0.000 0.476 64 K N 1.466 121.947 120.400 0.136 0.000 2.542 64 K HA 0.022 4.351 4.320 0.016 0.000 0.276 64 K C 0.829 177.523 176.600 0.156 0.000 0.963 64 K CA 0.214 56.582 56.287 0.135 0.000 0.975 64 K CB 0.421 33.001 32.500 0.133 0.000 0.901 64 K HN 0.235 nan 8.250 nan 0.000 0.506 65 S N 1.510 117.299 115.700 0.149 0.000 2.617 65 S HA 0.140 4.620 4.470 0.016 0.000 0.269 65 S C 1.539 176.258 174.600 0.198 0.000 1.292 65 S CA -0.807 57.497 58.200 0.174 0.000 1.010 65 S CB 0.676 63.979 63.200 0.172 0.000 0.944 65 S HN 0.557 nan 8.310 nan 0.000 0.536 66 L N 0.738 122.081 121.223 0.199 0.000 2.013 66 L HA -0.186 4.163 4.340 0.016 0.000 0.212 66 L C 2.602 179.552 176.870 0.134 0.000 1.073 66 L CA 1.994 56.925 54.840 0.152 0.000 0.753 66 L CB -0.983 41.121 42.059 0.075 0.000 0.890 66 L HN 0.822 nan 8.230 nan 0.000 0.432 67 H N -1.055 118.083 119.070 0.113 0.000 2.352 67 H HA -0.163 4.403 4.556 0.016 0.000 0.299 67 H C 2.355 177.769 175.328 0.143 0.000 1.097 67 H CA 2.056 58.182 56.048 0.130 0.000 1.311 67 H CB -0.262 29.565 29.762 0.108 0.000 1.377 67 H HN 0.240 nan 8.280 nan 0.000 0.504 68 T N 0.321 115.020 114.554 0.242 0.000 2.812 68 T HA -0.062 4.298 4.350 0.016 0.000 0.264 68 T C 2.201 176.970 174.700 0.115 0.000 1.042 68 T CA 0.901 63.095 62.100 0.157 0.000 1.140 68 T CB -0.233 68.710 68.868 0.124 0.000 0.870 68 T HN 0.172 nan 8.240 nan 0.000 0.445 69 L N -0.136 121.165 121.223 0.130 0.000 2.017 69 L HA -0.055 4.295 4.340 0.016 0.000 0.208 69 L C 2.282 179.211 176.870 0.098 0.000 1.073 69 L CA 1.379 56.272 54.840 0.088 0.000 0.745 69 L CB -0.532 41.619 42.059 0.153 0.000 0.894 69 L HN 0.199 nan 8.230 nan 0.000 0.432 70 F N 1.074 120.997 119.950 -0.044 0.000 2.026 70 F HA -0.155 4.381 4.527 0.016 0.000 0.296 70 F C 2.319 178.010 175.800 -0.180 0.000 1.133 70 F CA 1.724 59.630 58.000 -0.157 0.000 1.188 70 F CB -1.023 37.785 39.000 -0.321 0.000 0.968 70 F HN -0.008 nan 8.300 nan 0.000 0.476 71 G N -0.693 107.990 108.800 -0.196 0.000 2.479 71 G HA2 -0.283 3.686 3.960 0.016 0.000 0.220 71 G HA3 -0.283 3.686 3.960 0.016 0.000 0.220 71 G C 1.332 176.168 174.900 -0.107 0.000 1.115 71 G CA 1.127 46.098 45.100 -0.216 0.000 0.757 71 G HN 0.370 nan 8.290 nan 0.000 0.560 72 D N 0.018 120.380 120.400 -0.063 0.000 2.123 72 D HA -0.007 4.643 4.640 0.016 0.000 0.200 72 D C 2.464 178.714 176.300 -0.083 0.000 0.976 72 D CA 0.577 54.551 54.000 -0.042 0.000 0.831 72 D CB -0.011 40.767 40.800 -0.037 0.000 0.974 72 D HN 0.080 nan 8.370 nan 0.000 0.469 73 K N 0.364 120.699 120.400 -0.108 0.000 2.097 73 K HA -0.018 4.312 4.320 0.016 0.000 0.205 73 K C 2.283 178.819 176.600 -0.108 0.000 1.050 73 K CA 0.243 56.481 56.287 -0.082 0.000 0.938 73 K CB -0.347 32.184 32.500 0.053 0.000 0.718 73 K HN 0.232 nan 8.250 nan 0.000 0.442 74 L N 0.251 121.332 121.223 -0.237 0.000 1.989 74 L HA -0.266 4.083 4.340 0.016 0.000 0.211 74 L C 2.512 179.298 176.870 -0.141 0.000 1.071 74 L CA 1.222 55.877 54.840 -0.308 0.000 0.749 74 L CB -0.613 40.961 42.059 -0.808 0.000 0.890 74 L HN 0.183 nan 8.230 nan 0.000 0.431 75 c N -0.169 118.396 118.600 -0.059 0.000 2.460 75 c HA -0.093 4.487 4.570 0.016 0.000 0.291 75 c C 2.611 176.701 174.090 -0.001 0.000 1.493 75 c CA 1.330 57.680 56.329 0.034 0.000 1.748 75 c CB -1.519 41.036 42.510 0.075 0.000 1.656 75 c HN 0.660 nan 8.230 nan 0.000 0.576 76 T N -3.400 111.132 114.554 -0.036 0.000 3.060 76 T HA 0.136 4.496 4.350 0.016 0.000 0.249 76 T C 0.404 175.082 174.700 -0.036 0.000 1.079 76 T CA 0.081 62.158 62.100 -0.038 0.000 1.013 76 T CB -0.257 68.574 68.868 -0.061 0.000 0.975 76 T HN 0.120 nan 8.240 nan 0.000 0.518 77 V N 2.899 122.795 119.914 -0.031 0.000 2.434 77 V HA 0.319 4.449 4.120 0.016 0.000 0.281 77 V C 2.016 178.116 176.094 0.011 0.000 1.005 77 V CA 0.159 62.451 62.300 -0.014 0.000 1.089 77 V CB -0.737 31.092 31.823 0.010 0.000 0.978 77 V HN 0.624 nan 8.190 nan 0.000 0.474 78 A N 5.231 128.049 122.820 -0.003 0.000 1.869 78 A HA -0.269 4.060 4.320 0.016 0.000 0.218 78 A C 2.446 180.042 177.584 0.019 0.000 1.203 78 A CA 2.876 54.914 52.037 0.001 0.000 0.638 78 A CB -0.920 18.073 19.000 -0.012 0.000 0.831 78 A HN 0.895 nan 8.150 nan 0.000 0.450 79 T N -2.077 112.493 114.554 0.027 0.000 2.737 79 T HA -0.127 4.233 4.350 0.016 0.000 0.265 79 T C 1.663 176.411 174.700 0.080 0.000 1.038 79 T CA 1.689 63.809 62.100 0.033 0.000 1.144 79 T CB -0.525 68.350 68.868 0.012 0.000 0.866 79 T HN 0.626 nan 8.240 nan 0.000 0.434 80 L N 0.962 122.283 121.223 0.164 0.000 2.690 80 L HA -0.400 3.950 4.340 0.016 0.000 0.215 80 L C 2.357 179.384 176.870 0.260 0.000 1.357 80 L CA 3.293 58.313 54.840 0.301 0.000 0.785 80 L CB -1.097 41.062 42.059 0.167 0.000 1.103 80 L HN 0.466 nan 8.230 nan 0.000 0.411 81 R N -0.717 119.858 120.500 0.125 0.000 2.080 81 R HA -0.222 4.127 4.340 0.016 0.000 0.236 81 R C 2.004 178.330 176.300 0.043 0.000 1.137 81 R CA 2.071 58.217 56.100 0.077 0.000 0.943 81 R CB -0.207 30.117 30.300 0.039 0.000 0.846 81 R HN 0.783 nan 8.270 nan 0.000 0.431 82 E N -1.392 118.816 120.200 0.013 0.000 2.358 82 E HA -0.034 4.325 4.350 0.016 0.000 0.195 82 E C 1.416 177.965 176.600 -0.085 0.000 1.010 82 E CA 1.335 57.720 56.400 -0.026 0.000 0.856 82 E CB 0.061 29.745 29.700 -0.026 0.000 0.795 82 E HN 0.207 nan 8.360 nan 0.000 0.504 83 T N -0.648 113.820 114.554 -0.144 0.000 3.010 83 T HA 0.042 4.401 4.350 0.016 0.000 0.252 83 T C 0.679 175.026 174.700 -0.589 0.000 1.047 83 T CA 0.801 62.652 62.100 -0.416 0.000 1.140 83 T CB -0.107 68.375 68.868 -0.642 0.000 0.885 83 T HN 0.250 nan 8.240 nan 0.000 0.464 84 Y N 0.282 120.594 120.300 0.020 0.000 2.483 84 Y HA 0.431 4.990 4.550 0.016 0.000 0.258 84 Y C 2.029 177.927 175.900 -0.003 0.000 1.083 84 Y CA -0.209 57.905 58.100 0.023 0.000 1.283 84 Y CB -0.205 38.282 38.460 0.045 0.000 1.178 84 Y HN 0.308 nan 8.280 nan 0.000 0.515 85 G N 1.108 109.973 108.800 0.108 0.000 2.620 85 G HA2 -0.463 3.506 3.960 0.016 0.000 0.315 85 G HA3 -0.463 3.506 3.960 0.016 0.000 0.315 85 G C 1.255 176.158 174.900 0.005 0.000 1.179 85 G CA 0.877 46.004 45.100 0.044 0.000 0.971 85 G HN 0.319 nan 8.290 nan 0.000 0.544 86 E N 0.020 120.200 120.200 -0.034 0.000 2.136 86 E HA -0.341 4.018 4.350 0.016 0.000 0.208 86 E C 2.576 178.980 176.600 -0.327 0.000 1.035 86 E CA 2.208 58.527 56.400 -0.136 0.000 0.838 86 E CB -0.236 29.402 29.700 -0.103 0.000 0.748 86 E HN 0.616 nan 8.360 nan 0.000 0.459 87 M N 0.275 119.668 119.600 -0.345 0.000 2.144 87 M HA -0.174 4.315 4.480 0.016 0.000 0.260 87 M C 2.099 178.336 176.300 -0.105 0.000 1.067 87 M CA 2.100 57.207 55.300 -0.322 0.000 1.095 87 M CB -0.079 32.511 32.600 -0.016 0.000 1.365 87 M HN 0.048 nan 8.290 nan 0.000 0.406 88 A N -0.138 122.678 122.820 -0.008 0.000 2.178 88 A HA -0.148 4.181 4.320 0.016 0.000 0.218 88 A C 1.532 179.096 177.584 -0.033 0.000 1.157 88 A CA 1.799 53.854 52.037 0.030 0.000 0.689 88 A CB -0.801 18.235 19.000 0.060 0.000 0.787 88 A HN 0.631 nan 8.150 nan 0.000 0.465 89 D N -0.967 119.381 120.400 -0.088 0.000 2.317 89 D HA -0.041 4.609 4.640 0.016 0.000 0.211 89 D C 1.717 177.941 176.300 -0.127 0.000 0.966 89 D CA 0.582 54.531 54.000 -0.085 0.000 0.876 89 D CB -0.375 40.381 40.800 -0.074 0.000 0.927 89 D HN 0.455 nan 8.370 nan 0.000 0.519 90 c N 0.106 118.569 118.600 -0.227 0.000 2.411 90 c HA -0.146 4.433 4.570 0.016 0.000 0.279 90 c C 2.792 176.694 174.090 -0.313 0.000 1.288 90 c CA 0.160 56.255 56.329 -0.390 0.000 1.764 90 c CB -0.994 40.956 42.510 -0.933 0.000 1.974 90 c HN 0.438 nan 8.230 nan 0.000 0.498 91 c N 0.989 119.482 118.600 -0.177 0.000 2.430 91 c HA -0.001 4.578 4.570 0.016 0.000 0.288 91 c C 2.811 176.874 174.090 -0.044 0.000 1.448 91 c CA 1.049 57.346 56.329 -0.053 0.000 1.784 91 c CB -1.737 40.787 42.510 0.023 0.000 1.776 91 c HN 0.728 nan 8.230 nan 0.000 0.547 92 A N -0.225 122.559 122.820 -0.059 0.000 2.132 92 A HA 0.088 4.417 4.320 0.016 0.000 0.213 92 A C 1.100 178.662 177.584 -0.038 0.000 1.154 92 A CA 0.655 52.670 52.037 -0.037 0.000 0.753 92 A CB -0.022 18.958 19.000 -0.033 0.000 0.826 92 A HN 0.577 nan 8.150 nan 0.000 0.469 93 K N -0.629 119.735 120.400 -0.061 0.000 2.118 93 K HA 0.523 4.853 4.320 0.016 0.000 0.240 93 K C 0.512 177.095 176.600 -0.029 0.000 1.035 93 K CA 0.659 56.917 56.287 -0.049 0.000 0.899 93 K CB 0.189 32.646 32.500 -0.072 0.000 1.085 93 K HN 0.373 nan 8.250 nan 0.000 0.498 94 Q N 0.558 120.349 119.800 -0.015 0.000 2.241 94 Q HA 0.464 4.814 4.340 0.016 0.000 0.262 94 Q C 1.165 177.172 176.000 0.012 0.000 1.014 94 Q CA 0.172 55.975 55.803 0.001 0.000 0.885 94 Q CB 0.021 nan 28.738 nan 0.000 1.311 94 Q HN 0.683 nan 8.270 nan 0.000 0.461 95 E N 0.423 120.638 120.200 0.026 0.000 2.813 95 E HA -0.328 4.031 4.350 0.016 0.000 0.233 95 E C -0.267 176.357 176.600 0.039 0.000 0.922 95 E CA 2.587 59.010 56.400 0.038 0.000 1.351 95 E CB -2.943 26.775 29.700 0.029 0.000 1.349 95 E HN 0.795 nan 8.360 nan 0.000 0.485 96 P HA 0.008 nan 4.420 nan 0.000 0.220 96 P C 1.269 178.586 177.300 0.028 0.000 1.152 96 P CA 1.484 64.593 63.100 0.015 0.000 0.812 96 P CB 0.048 31.747 31.700 -0.003 0.000 0.792 97 E N 0.249 120.458 120.200 0.015 0.000 2.107 97 E HA -0.149 4.210 4.350 0.016 0.000 0.191 97 E C 2.198 178.791 176.600 -0.013 0.000 0.982 97 E CA 0.563 56.967 56.400 0.006 0.000 0.809 97 E CB -0.519 29.176 29.700 -0.008 0.000 0.756 97 E HN 0.192 nan 8.360 nan 0.000 0.459 98 R N 1.490 121.974 120.500 -0.028 0.000 2.094 98 R HA -0.187 4.162 4.340 0.016 0.000 0.239 98 R C 2.400 178.667 176.300 -0.056 0.000 1.137 98 R CA 1.825 57.862 56.100 -0.106 0.000 0.943 98 R CB -0.293 29.984 30.300 -0.039 0.000 0.850 98 R HN 0.167 nan 8.270 nan 0.000 0.433 99 N N 0.389 119.171 118.700 0.136 0.000 2.120 99 N HA -0.230 4.519 4.740 0.016 0.000 0.188 99 N C 1.612 177.274 175.510 0.253 0.000 1.024 99 N CA 1.718 54.946 53.050 0.296 0.000 0.852 99 N CB -0.045 38.624 38.487 0.304 0.000 1.003 99 N HN 0.237 nan 8.380 nan 0.000 0.424 100 E N 0.609 120.901 120.200 0.154 0.000 2.204 100 E HA -0.100 4.259 4.350 0.016 0.000 0.195 100 E C 2.213 178.871 176.600 0.097 0.000 0.990 100 E CA 0.619 57.106 56.400 0.144 0.000 0.821 100 E CB -0.680 29.088 29.700 0.112 0.000 0.750 100 E HN 0.416 nan 8.360 nan 0.000 0.477 101 c N -0.540 118.078 118.600 0.030 0.000 2.453 101 c HA -0.081 4.499 4.570 0.016 0.000 0.277 101 c C 2.287 176.448 174.090 0.119 0.000 1.262 101 c CA 0.646 56.972 56.329 -0.004 0.000 1.718 101 c CB -1.432 40.979 42.510 -0.165 0.000 2.031 101 c HN 0.476 nan 8.230 nan 0.000 0.480 102 F N 0.946 121.019 119.950 0.204 0.000 2.134 102 F HA -0.012 4.524 4.527 0.015 0.000 0.299 102 F C 2.192 178.141 175.800 0.249 0.000 1.097 102 F CA 1.386 59.538 58.000 0.255 0.000 1.264 102 F CB -1.038 38.099 39.000 0.229 0.000 1.001 102 F HN 0.139 nan 8.300 nan 0.000 0.479 103 L N -0.583 120.867 121.223 0.379 0.000 2.187 103 L HA -0.263 4.086 4.340 0.016 0.000 0.213 103 L C 2.347 179.242 176.870 0.041 0.000 1.100 103 L CA 1.322 56.253 54.840 0.151 0.000 0.765 103 L CB -0.404 41.691 42.059 0.060 0.000 0.904 103 L HN 0.191 nan 8.230 nan 0.000 0.437 104 Q N -1.429 118.376 119.800 0.009 0.000 2.172 104 Q HA -0.119 4.230 4.340 0.016 0.000 0.200 104 Q C 1.322 177.185 176.000 -0.229 0.000 0.964 104 Q CA 0.900 56.610 55.803 -0.154 0.000 0.855 104 Q CB 0.211 28.778 28.738 -0.286 0.000 0.918 104 Q HN 0.565 nan 8.270 nan 0.000 0.444 105 H N -0.590 118.542 119.070 0.103 0.000 2.517 105 H HA 0.135 4.701 4.556 0.016 0.000 0.282 105 H C -0.027 175.364 175.328 0.106 0.000 1.023 105 H CA 0.167 56.281 56.048 0.111 0.000 1.169 105 H CB 0.232 30.075 29.762 0.135 0.000 1.454 105 H HN -0.029 nan 8.280 nan 0.000 0.556 106 K N 2.489 122.967 120.400 0.130 0.000 2.083 106 K HA -0.029 4.300 4.320 0.016 0.000 0.246 106 K C -0.194 176.476 176.600 0.118 0.000 1.160 106 K CA -0.229 56.075 56.287 0.029 0.000 1.060 106 K CB -0.158 32.228 32.500 -0.189 0.000 1.417 106 K HN 0.081 nan 8.250 nan 0.000 0.329 107 D N 3.178 123.652 120.400 0.122 0.000 2.455 107 D HA -0.124 4.526 4.640 0.016 0.000 0.265 107 D C -0.335 176.042 176.300 0.129 0.000 1.284 107 D CA 0.635 54.705 54.000 0.116 0.000 0.944 107 D CB 0.407 41.272 40.800 0.108 0.000 1.121 107 D HN 0.574 nan 8.370 nan 0.000 0.525 108 D N 1.772 122.252 120.400 0.133 0.000 2.360 108 D HA 0.016 4.666 4.640 0.016 0.000 0.242 108 D C 0.496 176.812 176.300 0.026 0.000 1.184 108 D CA 0.346 54.408 54.000 0.103 0.000 0.930 108 D CB 0.342 41.064 40.800 -0.129 0.000 1.161 108 D HN 0.642 nan 8.370 nan 0.000 0.447 109 N N 1.044 119.742 118.700 -0.003 0.000 2.684 109 N HA -0.159 4.591 4.740 0.016 0.000 0.284 109 N C -2.309 173.188 175.510 -0.022 0.000 1.067 109 N CA 0.463 53.492 53.050 -0.035 0.000 0.791 109 N CB -1.643 36.824 38.487 -0.035 0.000 0.934 109 N HN 0.258 nan 8.380 nan 0.000 0.566 110 P HA 0.232 nan 4.420 nan 0.000 0.296 110 P C 0.240 177.531 177.300 -0.014 0.000 1.295 110 P CA -0.241 62.856 63.100 -0.005 0.000 0.754 110 P CB 0.408 32.105 31.700 -0.005 0.000 1.311 111 N N -0.906 117.792 118.700 -0.004 0.000 2.806 111 N HA 0.270 5.019 4.740 0.016 0.000 0.315 111 N C -1.252 174.253 175.510 -0.008 0.000 1.738 111 N CA -0.091 52.955 53.050 -0.007 0.000 0.993 111 N CB -0.938 37.549 38.487 0.000 0.000 1.324 111 N HN 0.181 nan 8.380 nan 0.000 0.493 112 L N 0.778 121.990 121.223 -0.019 0.000 2.343 112 L HA 0.612 4.961 4.340 0.016 0.000 0.275 112 L C -1.604 175.258 176.870 -0.014 0.000 1.056 112 L CA -1.853 52.977 54.840 -0.017 0.000 0.804 112 L CB 0.646 42.685 42.059 -0.032 0.000 1.203 112 L HN 0.169 nan 8.230 nan 0.000 0.440 113 P HA 0.125 nan 4.420 nan 0.000 0.266 113 P C -0.374 176.929 177.300 0.004 0.000 1.195 113 P CA -0.357 62.745 63.100 0.003 0.000 0.768 113 P CB 0.410 32.116 31.700 0.010 0.000 0.838 114 R N 1.297 121.801 120.500 0.007 0.000 2.758 114 R HA 0.031 4.380 4.340 0.016 0.000 0.263 114 R C -0.100 176.215 176.300 0.025 0.000 1.010 114 R CA -0.214 55.893 56.100 0.013 0.000 1.114 114 R CB 0.023 30.333 30.300 0.016 0.000 0.985 114 R HN 0.360 nan 8.270 nan 0.000 0.439 115 L N 3.835 125.076 121.223 0.031 0.000 2.278 115 L HA 0.121 4.470 4.340 0.016 0.000 0.287 115 L C -0.323 176.581 176.870 0.055 0.000 1.072 115 L CA -0.073 54.800 54.840 0.056 0.000 0.819 115 L CB 1.242 43.335 42.059 0.057 0.000 1.176 115 L HN 0.318 nan 8.230 nan 0.000 0.435 116 V N 3.365 123.321 119.914 0.069 0.000 2.432 116 V HA 0.461 4.590 4.120 0.016 0.000 0.271 116 V C 0.508 176.653 176.094 0.084 0.000 1.046 116 V CA -0.901 61.438 62.300 0.064 0.000 0.945 116 V CB 0.780 32.638 31.823 0.059 0.000 0.992 116 V HN 0.798 nan 8.190 nan 0.000 0.471 117 R N 5.584 126.122 120.500 0.064 0.000 2.399 117 R HA 0.290 4.640 4.340 0.016 0.000 0.324 117 R C -1.815 174.544 176.300 0.098 0.000 1.030 117 R CA -1.025 55.117 56.100 0.069 0.000 0.984 117 R CB 0.308 30.637 30.300 0.049 0.000 0.961 117 R HN 0.716 nan 8.270 nan 0.000 0.433 118 P HA -0.058 nan 4.420 nan 0.000 0.302 118 P C -0.721 176.651 177.300 0.120 0.000 1.301 118 P CA -0.032 63.158 63.100 0.149 0.000 0.770 118 P CB 0.389 32.221 31.700 0.220 0.000 1.458 119 E N -0.679 119.590 120.200 0.115 0.000 2.166 119 E HA 0.127 4.487 4.350 0.016 0.000 0.275 119 E C 1.213 177.870 176.600 0.096 0.000 0.941 119 E CA -0.482 55.969 56.400 0.086 0.000 0.784 119 E CB 1.618 31.356 29.700 0.063 0.000 1.115 119 E HN -0.008 nan 8.360 nan 0.000 0.399 120 V N 3.363 123.318 119.914 0.069 0.000 2.418 120 V HA -0.327 3.803 4.120 0.016 0.000 0.258 120 V C 1.248 177.382 176.094 0.067 0.000 1.088 120 V CA 2.229 64.562 62.300 0.055 0.000 1.091 120 V CB -0.437 31.392 31.823 0.010 0.000 0.669 120 V HN 0.631 nan 8.190 nan 0.000 0.461 121 D N -0.605 119.828 120.400 0.054 0.000 2.213 121 D HA -0.061 4.588 4.640 0.016 0.000 0.205 121 D C 2.011 178.343 176.300 0.052 0.000 0.961 121 D CA 1.221 55.245 54.000 0.042 0.000 0.853 121 D CB -0.031 40.783 40.800 0.024 0.000 0.967 121 D HN 0.452 nan 8.370 nan 0.000 0.496 122 V N -0.908 119.051 119.914 0.075 0.000 2.407 122 V HA -0.137 3.993 4.120 0.016 0.000 0.245 122 V C 2.283 178.443 176.094 0.109 0.000 1.041 122 V CA 0.937 63.287 62.300 0.083 0.000 1.040 122 V CB -0.687 31.195 31.823 0.098 0.000 0.671 122 V HN 0.093 nan 8.190 nan 0.000 0.455 123 M N 0.057 119.766 119.600 0.182 0.000 2.080 123 M HA -0.189 4.301 4.480 0.016 0.000 0.260 123 M C 2.351 178.713 176.300 0.103 0.000 1.068 123 M CA 2.274 57.730 55.300 0.260 0.000 1.109 123 M CB -0.642 32.269 32.600 0.519 0.000 1.342 123 M HN 0.437 nan 8.290 nan 0.000 0.405 124 c N -0.266 118.450 118.600 0.194 0.000 2.419 124 c HA -0.102 4.477 4.570 0.016 0.000 0.283 124 c C 2.718 176.841 174.090 0.056 0.000 1.373 124 c CA 1.235 57.695 56.329 0.218 0.000 1.781 124 c CB -1.099 41.505 42.510 0.157 0.000 1.886 124 c HN 0.571 nan 8.230 nan 0.000 0.520 125 T N 0.316 114.867 114.554 -0.004 0.000 3.009 125 T HA 0.059 4.418 4.350 0.016 0.000 0.258 125 T C 2.102 176.779 174.700 -0.039 0.000 1.063 125 T CA 1.139 63.210 62.100 -0.048 0.000 1.139 125 T CB -0.164 68.684 68.868 -0.033 0.000 0.890 125 T HN 0.578 nan 8.240 nan 0.000 0.471 126 A N 1.373 124.139 122.820 -0.091 0.000 1.898 126 A HA 0.019 4.349 4.320 0.016 0.000 0.216 126 A C 1.719 179.145 177.584 -0.263 0.000 1.181 126 A CA 0.951 52.913 52.037 -0.125 0.000 0.620 126 A CB -0.848 18.107 19.000 -0.075 0.000 0.819 126 A HN 0.510 nan 8.150 nan 0.000 0.442 127 F N 0.380 119.898 119.950 -0.721 0.000 2.802 127 F HA 0.082 4.619 4.527 0.016 0.000 0.302 127 F C 1.203 176.939 175.800 -0.107 0.000 1.211 127 F CA 0.972 58.600 58.000 -0.619 0.000 1.431 127 F CB -0.799 37.770 39.000 -0.718 0.000 1.114 127 F HN 0.598 nan 8.300 nan 0.000 0.567 128 H N -2.175 116.676 119.070 -0.364 0.000 3.207 128 H HA 0.104 4.670 4.556 0.016 0.000 0.237 128 H C 1.774 176.990 175.328 -0.186 0.000 0.959 128 H CA 0.549 56.373 56.048 -0.374 0.000 1.091 128 H CB -0.495 29.078 29.762 -0.315 0.000 1.447 128 H HN 0.162 nan 8.280 nan 0.000 0.477 129 D N 0.410 120.827 120.400 0.028 0.000 2.363 129 D HA -0.090 4.560 4.640 0.016 0.000 0.220 129 D C -0.166 176.108 176.300 -0.042 0.000 0.994 129 D CA 0.655 54.665 54.000 0.016 0.000 0.890 129 D CB 0.111 40.972 40.800 0.101 0.000 0.906 129 D HN 0.359 nan 8.370 nan 0.000 0.530 130 N N 0.551 119.228 118.700 -0.039 0.000 4.121 130 N HA -0.113 4.637 4.740 0.016 0.000 0.134 130 N C 0.463 176.038 175.510 0.107 0.000 1.370 130 N CA 0.075 53.136 53.050 0.019 0.000 1.272 130 N CB -0.272 38.243 38.487 0.047 0.000 1.726 130 N HN 0.231 nan 8.380 nan 0.000 0.750 131 E N 0.522 120.782 120.200 0.100 0.000 2.153 131 E HA -0.155 4.204 4.350 0.016 0.000 0.194 131 E C 0.826 177.625 176.600 0.331 0.000 0.988 131 E CA 0.877 57.462 56.400 0.309 0.000 0.811 131 E CB 0.174 30.042 29.700 0.280 0.000 0.746 131 E HN 0.553 nan 8.360 nan 0.000 0.466 132 E N 0.422 120.743 120.200 0.203 0.000 2.015 132 E HA -0.160 4.200 4.350 0.016 0.000 0.191 132 E C 2.213 178.917 176.600 0.174 0.000 0.991 132 E CA 1.985 58.489 56.400 0.172 0.000 0.802 132 E CB -0.198 29.576 29.700 0.124 0.000 0.759 132 E HN 0.442 nan 8.360 nan 0.000 0.447 133 T N -0.933 113.719 114.554 0.163 0.000 3.098 133 T HA -0.120 4.239 4.350 0.016 0.000 0.266 133 T C 1.560 176.282 174.700 0.037 0.000 1.145 133 T CA 0.620 62.805 62.100 0.143 0.000 1.092 133 T CB -0.371 68.576 68.868 0.131 0.000 0.908 133 T HN 0.158 nan 8.240 nan 0.000 0.526 134 F N 1.448 121.390 119.950 -0.013 0.000 2.147 134 F HA 0.301 4.837 4.527 0.016 0.000 0.291 134 F C 1.699 177.481 175.800 -0.030 0.000 1.093 134 F CA 0.563 58.538 58.000 -0.042 0.000 1.263 134 F CB -0.313 38.725 39.000 0.063 0.000 1.036 134 F HN 0.116 nan 8.300 nan 0.000 0.481 135 L N 0.148 121.322 121.223 -0.081 0.000 2.093 135 L HA -0.124 4.225 4.340 0.016 0.000 0.208 135 L C 2.301 179.118 176.870 -0.087 0.000 1.085 135 L CA 1.235 55.971 54.840 -0.173 0.000 0.755 135 L CB -0.759 41.300 42.059 0.000 0.000 0.904 135 L HN -0.020 nan 8.230 nan 0.000 0.435 136 K N 0.428 120.844 120.400 0.026 0.000 2.148 136 K HA -0.157 4.173 4.320 0.016 0.000 0.204 136 K C 2.095 178.814 176.600 0.198 0.000 1.050 136 K CA 1.134 57.518 56.287 0.162 0.000 0.942 136 K CB -0.074 32.596 32.500 0.284 0.000 0.724 136 K HN 0.026 nan 8.250 nan 0.000 0.446 137 K N -1.259 119.001 120.400 -0.233 0.000 2.217 137 K HA -0.089 4.240 4.320 0.016 0.000 0.202 137 K C 1.371 177.752 176.600 -0.366 0.000 1.051 137 K CA 1.136 56.973 56.287 -0.749 0.000 0.952 137 K CB -0.033 31.811 32.500 -1.094 0.000 0.736 137 K HN 0.087 nan 8.250 nan 0.000 0.453 138 Y N -0.469 119.656 120.300 -0.292 0.000 2.397 138 Y HA 0.005 4.565 4.550 0.016 0.000 0.292 138 Y C 1.654 177.449 175.900 -0.175 0.000 1.115 138 Y CA 0.213 58.140 58.100 -0.287 0.000 1.208 138 Y CB -0.131 38.013 38.460 -0.526 0.000 1.046 138 Y HN 0.001 nan 8.280 nan 0.000 0.552 139 L N -0.434 120.808 121.223 0.032 0.000 2.012 139 L HA -0.264 4.085 4.340 0.016 0.000 0.210 139 L C 2.336 179.248 176.870 0.070 0.000 1.073 139 L CA 1.940 56.788 54.840 0.014 0.000 0.748 139 L CB -1.399 40.683 42.059 0.039 0.000 0.891 139 L HN 0.397 nan 8.230 nan 0.000 0.431 140 Y N 0.128 120.460 120.300 0.053 0.000 2.128 140 Y HA -0.308 4.251 4.550 0.016 0.000 0.284 140 Y C 2.477 178.413 175.900 0.060 0.000 1.154 140 Y CA 2.176 60.339 58.100 0.104 0.000 1.149 140 Y CB -0.286 38.368 38.460 0.324 0.000 0.976 140 Y HN 0.272 nan 8.280 nan 0.000 0.505 141 E N 0.642 120.819 120.200 -0.039 0.000 2.038 141 E HA -0.190 4.169 4.350 0.016 0.000 0.195 141 E C 1.984 178.500 176.600 -0.140 0.000 1.000 141 E CA 2.104 58.415 56.400 -0.148 0.000 0.803 141 E CB -0.497 29.233 29.700 0.050 0.000 0.750 141 E HN 0.654 nan 8.360 nan 0.000 0.448 142 I N 0.234 120.759 120.570 -0.076 0.000 2.252 142 I HA -0.221 3.959 4.170 0.016 0.000 0.245 142 I C 2.240 178.331 176.117 -0.044 0.000 1.102 142 I CA 1.116 62.382 61.300 -0.056 0.000 1.385 142 I CB -0.438 37.477 38.000 -0.142 0.000 1.064 142 I HN 0.090 nan 8.210 nan 0.000 0.414 143 A N 1.791 124.549 122.820 -0.103 0.000 1.873 143 A HA -0.259 4.071 4.320 0.016 0.000 0.218 143 A C 2.432 179.956 177.584 -0.100 0.000 1.193 143 A CA 2.281 54.262 52.037 -0.094 0.000 0.629 143 A CB -0.818 18.126 19.000 -0.093 0.000 0.826 143 A HN 0.520 nan 8.150 nan 0.000 0.447 144 R N -0.742 119.643 120.500 -0.193 0.000 2.193 144 R HA -0.057 4.293 4.340 0.016 0.000 0.229 144 R C 1.814 178.033 176.300 -0.133 0.000 1.110 144 R CA 1.599 57.596 56.100 -0.171 0.000 0.988 144 R CB -0.346 29.792 30.300 -0.270 0.000 0.871 144 R HN 0.441 nan 8.270 nan 0.000 0.458 145 R N -0.230 120.176 120.500 -0.158 0.000 2.246 145 R HA 0.075 4.425 4.340 0.016 0.000 0.199 145 R C -0.145 175.861 176.300 -0.489 0.000 0.984 145 R CA 0.651 56.585 56.100 -0.277 0.000 1.015 145 R CB 0.269 30.399 30.300 -0.282 0.000 0.930 145 R HN 0.391 nan 8.270 nan 0.000 0.475 146 H N -0.714 118.351 119.070 -0.009 0.000 2.448 146 H HA 0.149 4.715 4.556 0.015 0.000 0.237 146 H C -1.922 173.462 175.328 0.093 0.000 1.391 146 H CA -1.743 54.356 56.048 0.084 0.000 1.477 146 H CB 1.294 31.119 29.762 0.105 0.000 1.520 146 H HN -0.034 nan 8.280 nan 0.000 0.502 147 P HA -0.188 nan 4.420 nan 0.000 0.220 147 P C 0.360 177.562 177.300 -0.164 0.000 1.148 147 P CA 1.255 64.325 63.100 -0.051 0.000 0.803 147 P CB 0.324 31.971 31.700 -0.088 0.000 0.782 148 Y N -2.179 118.160 120.300 0.066 0.000 2.468 148 Y HA 0.274 4.834 4.550 0.016 0.000 0.268 148 Y C 0.941 176.916 175.900 0.125 0.000 1.177 148 Y CA -0.824 57.311 58.100 0.059 0.000 1.265 148 Y CB -0.656 37.819 38.460 0.025 0.000 1.103 148 Y HN -0.182 nan 8.280 nan 0.000 0.522 149 F N 0.398 120.433 119.950 0.141 0.000 2.467 149 F HA 0.153 4.689 4.527 0.016 0.000 0.362 149 F C 0.158 176.016 175.800 0.095 0.000 1.090 149 F CA -1.436 56.636 58.000 0.119 0.000 1.202 149 F CB 0.185 39.231 39.000 0.078 0.000 1.113 149 F HN -0.003 nan 8.300 nan 0.000 0.541 150 Y N 6.738 127.061 120.300 0.038 0.000 2.802 150 Y HA 0.169 4.728 4.550 0.016 0.000 0.351 150 Y C 1.160 177.113 175.900 0.089 0.000 1.237 150 Y CA -0.229 57.884 58.100 0.021 0.000 1.599 150 Y CB 0.111 38.527 38.460 -0.073 0.000 1.214 150 Y HN 0.795 nan 8.280 nan 0.000 0.520 151 A N 7.541 130.173 122.820 -0.314 0.000 1.894 151 A HA -0.269 4.060 4.320 0.016 0.000 0.220 151 A C -0.298 176.976 177.584 -0.518 0.000 1.237 151 A CA 2.290 54.112 52.037 -0.358 0.000 0.660 151 A CB -1.929 16.855 19.000 -0.361 0.000 0.835 151 A HN 0.692 nan 8.150 nan 0.000 0.461 152 P HA -0.148 nan 4.420 nan 0.000 0.216 152 P C 1.403 177.910 177.300 -1.322 0.000 1.150 152 P CA 1.636 64.170 63.100 -0.943 0.000 0.837 152 P CB -0.036 31.150 31.700 -0.857 0.000 0.786 153 E N -0.691 119.064 120.200 -0.742 0.000 2.158 153 E HA -0.090 4.269 4.350 0.016 0.000 0.191 153 E C 1.836 178.484 176.600 0.080 0.000 0.982 153 E CA 0.283 56.458 56.400 -0.375 0.000 0.823 153 E CB -0.509 29.329 29.700 0.229 0.000 0.766 153 E HN 0.105 nan 8.360 nan 0.000 0.468 154 L N 0.775 122.087 121.223 0.149 0.000 2.291 154 L HA -0.009 4.340 4.340 0.016 0.000 0.214 154 L C 2.080 178.943 176.870 -0.012 0.000 1.120 154 L CA 0.558 55.425 54.840 0.045 0.000 0.799 154 L CB 0.074 42.060 42.059 -0.122 0.000 0.925 154 L HN 0.259 nan 8.230 nan 0.000 0.446 155 L N -2.149 118.987 121.223 -0.144 0.000 2.375 155 L HA -0.045 4.304 4.340 0.016 0.000 0.215 155 L C 1.807 178.739 176.870 0.103 0.000 1.108 155 L CA 0.247 55.043 54.840 -0.073 0.000 0.830 155 L CB -0.058 41.901 42.059 -0.166 0.000 0.959 155 L HN 0.156 nan 8.230 nan 0.000 0.457 156 F N -0.764 119.142 119.950 -0.073 0.000 2.325 156 F HA -0.085 4.451 4.527 0.015 0.000 0.299 156 F C 2.008 177.691 175.800 -0.194 0.000 1.090 156 F CA 0.736 58.614 58.000 -0.204 0.000 1.392 156 F CB -0.944 37.790 39.000 -0.443 0.000 1.053 156 F HN 0.036 nan 8.300 nan 0.000 0.521 157 F N 0.184 120.258 119.950 0.206 0.000 2.187 157 F HA 0.091 4.627 4.527 0.015 0.000 0.295 157 F C 2.454 178.401 175.800 0.245 0.000 1.091 157 F CA 0.906 59.021 58.000 0.192 0.000 1.308 157 F CB -1.120 37.985 39.000 0.174 0.000 1.030 157 F HN -0.104 nan 8.300 nan 0.000 0.487 158 A N -0.429 122.600 122.820 0.348 0.000 2.272 158 A HA -0.146 4.184 4.320 0.016 0.000 0.213 158 A C 2.054 179.759 177.584 0.202 0.000 1.183 158 A CA 1.294 53.470 52.037 0.231 0.000 0.719 158 A CB -0.601 18.455 19.000 0.092 0.000 0.771 158 A HN 0.332 nan 8.150 nan 0.000 0.484 159 K N -1.177 119.337 120.400 0.191 0.000 2.313 159 K HA 0.098 4.427 4.320 0.016 0.000 0.197 159 K C 1.882 178.555 176.600 0.122 0.000 1.061 159 K CA 0.316 56.683 56.287 0.134 0.000 0.980 159 K CB 0.143 32.702 32.500 0.099 0.000 0.888 159 K HN 0.373 nan 8.250 nan 0.000 0.502 160 R N -0.360 120.213 120.500 0.121 0.000 2.193 160 R HA -0.018 4.332 4.340 0.016 0.000 0.213 160 R C 1.715 178.047 176.300 0.053 0.000 1.055 160 R CA 0.910 57.042 56.100 0.055 0.000 0.995 160 R CB -0.068 30.240 30.300 0.013 0.000 0.893 160 R HN 0.141 nan 8.270 nan 0.000 0.459 161 Y N 1.064 121.448 120.300 0.139 0.000 2.184 161 Y HA -0.131 4.429 4.550 0.015 0.000 0.290 161 Y C 2.428 178.453 175.900 0.207 0.000 1.129 161 Y CA 1.358 59.569 58.100 0.185 0.000 1.144 161 Y CB -0.003 38.521 38.460 0.107 0.000 0.995 161 Y HN -0.115 nan 8.280 nan 0.000 0.513 162 K N 0.201 120.740 120.400 0.231 0.000 2.097 162 K HA -0.139 4.191 4.320 0.016 0.000 0.206 162 K C 1.919 178.594 176.600 0.124 0.000 1.049 162 K CA 1.194 57.534 56.287 0.088 0.000 0.933 162 K CB -0.270 32.283 32.500 0.089 0.000 0.717 162 K HN 0.252 nan 8.250 nan 0.000 0.442 163 A N 0.095 122.994 122.820 0.132 0.000 2.239 163 A HA 0.111 4.441 4.320 0.016 0.000 0.209 163 A C 1.789 179.431 177.584 0.096 0.000 1.171 163 A CA 1.180 53.283 52.037 0.110 0.000 0.768 163 A CB -0.284 18.761 19.000 0.074 0.000 0.790 163 A HN 0.462 nan 8.150 nan 0.000 0.478 164 A N -1.395 121.494 122.820 0.115 0.000 1.963 164 A HA 0.371 4.700 4.320 0.016 0.000 0.207 164 A C 1.541 179.127 177.584 0.003 0.000 1.243 164 A CA 0.401 52.453 52.037 0.025 0.000 0.728 164 A CB -0.387 18.580 19.000 -0.056 0.000 0.895 164 A HN 0.357 nan 8.150 nan 0.000 0.467 165 F N 0.892 120.784 119.950 -0.096 0.000 2.365 165 F HA -0.070 4.467 4.527 0.016 0.000 0.300 165 F C 2.581 178.506 175.800 0.208 0.000 1.090 165 F CA 1.662 59.577 58.000 -0.143 0.000 1.408 165 F CB -0.604 37.891 39.000 -0.841 0.000 1.060 165 F HN 0.120 nan 8.300 nan 0.000 0.534 166 T N -0.937 113.829 114.554 0.354 0.000 2.770 166 T HA -0.191 4.168 4.350 0.016 0.000 0.263 166 T C 1.917 176.762 174.700 0.243 0.000 1.039 166 T CA 1.338 63.690 62.100 0.419 0.000 1.142 166 T CB -0.186 68.863 68.868 0.302 0.000 0.868 166 T HN 0.309 nan 8.240 nan 0.000 0.435 167 E N -0.641 119.648 120.200 0.148 0.000 2.482 167 E HA -0.040 4.320 4.350 0.016 0.000 0.196 167 E C 1.418 178.051 176.600 0.055 0.000 1.047 167 E CA 0.436 56.887 56.400 0.084 0.000 0.869 167 E CB 0.041 29.770 29.700 0.049 0.000 0.836 167 E HN 0.473 nan 8.360 nan 0.000 0.520 168 c N -0.971 117.661 118.600 0.054 0.000 2.478 168 c HA 0.149 4.729 4.570 0.016 0.000 0.397 168 c C 2.229 176.345 174.090 0.042 0.000 1.360 168 c CA -0.362 55.971 56.329 0.008 0.000 2.191 168 c CB -0.458 42.002 42.510 -0.082 0.000 2.654 168 c HN 0.538 nan 8.230 nan 0.000 0.548 169 c N 1.637 120.309 118.600 0.120 0.000 2.503 169 c HA 0.102 4.681 4.570 0.016 0.000 0.285 169 c C 2.461 176.601 174.090 0.084 0.000 1.473 169 c CA 1.640 58.050 56.329 0.136 0.000 1.708 169 c CB -2.336 40.347 42.510 0.289 0.000 1.638 169 c HN 0.810 nan 8.230 nan 0.000 0.585 170 Q N -0.796 119.047 119.800 0.072 0.000 2.164 170 Q HA 0.669 5.018 4.340 0.016 0.000 0.226 170 Q C 0.655 176.671 176.000 0.027 0.000 0.813 170 Q CA 0.713 56.543 55.803 0.046 0.000 0.978 170 Q CB 0.015 28.788 28.738 0.058 0.000 1.149 170 Q HN 0.672 nan 8.270 nan 0.000 0.489 171 A N -0.086 122.747 122.820 0.023 0.000 2.271 171 A HA 0.832 5.162 4.320 0.016 0.000 0.288 171 A C 1.662 179.249 177.584 0.004 0.000 1.094 171 A CA 0.252 52.295 52.037 0.011 0.000 0.828 171 A CB 0.345 19.349 19.000 0.006 0.000 1.091 171 A HN 0.971 nan 8.150 nan 0.000 0.493 172 A N -0.165 122.656 122.820 0.001 0.000 1.858 172 A HA -0.014 4.315 4.320 0.016 0.000 0.216 172 A C 0.922 178.503 177.584 -0.004 0.000 1.190 172 A CA 1.939 53.974 52.037 -0.002 0.000 0.617 172 A CB -0.320 18.679 19.000 -0.002 0.000 0.827 172 A HN 0.699 nan 8.150 nan 0.000 0.443 173 D N -0.428 119.969 120.400 -0.005 0.000 2.518 173 D HA 0.255 4.905 4.640 0.016 0.000 0.230 173 D C 0.887 177.180 176.300 -0.012 0.000 1.138 173 D CA -0.190 53.805 54.000 -0.008 0.000 0.964 173 D CB 0.378 41.173 40.800 -0.008 0.000 1.011 173 D HN 0.299 nan 8.370 nan 0.000 0.517 174 K N 1.072 121.466 120.400 -0.011 0.000 2.063 174 K HA -0.162 4.167 4.320 0.016 0.000 0.208 174 K C 1.741 178.321 176.600 -0.034 0.000 1.048 174 K CA 1.200 57.477 56.287 -0.018 0.000 0.928 174 K CB -0.086 32.410 32.500 -0.007 0.000 0.713 174 K HN 0.282 nan 8.250 nan 0.000 0.442 175 A N 1.768 124.574 122.820 -0.025 0.000 1.972 175 A HA -0.039 4.291 4.320 0.016 0.000 0.219 175 A C 2.423 179.988 177.584 -0.031 0.000 1.169 175 A CA 1.679 53.699 52.037 -0.028 0.000 0.635 175 A CB -0.523 18.469 19.000 -0.013 0.000 0.810 175 A HN 0.357 nan 8.150 nan 0.000 0.446 176 A N -1.492 121.314 122.820 -0.024 0.000 2.014 176 A HA -0.071 4.258 4.320 0.016 0.000 0.218 176 A C 2.266 179.832 177.584 -0.029 0.000 1.163 176 A CA 1.455 53.478 52.037 -0.022 0.000 0.652 176 A CB -1.048 17.942 19.000 -0.015 0.000 0.808 176 A HN 0.705 nan 8.150 nan 0.000 0.449 177 c N -1.199 117.379 118.600 -0.037 0.000 2.739 177 c HA 0.211 4.790 4.570 0.016 0.000 0.285 177 c C 2.349 176.394 174.090 -0.075 0.000 1.301 177 c CA 0.793 57.095 56.329 -0.046 0.000 1.700 177 c CB -1.406 41.081 42.510 -0.039 0.000 2.147 177 c HN 0.580 nan 8.230 nan 0.000 0.510 178 L N 0.804 121.961 121.223 -0.110 0.000 1.950 178 L HA -0.210 4.139 4.340 0.016 0.000 0.233 178 L C 2.537 179.321 176.870 -0.143 0.000 1.090 178 L CA 1.880 56.609 54.840 -0.185 0.000 0.809 178 L CB -0.808 41.100 42.059 -0.251 0.000 0.905 178 L HN 0.326 nan 8.230 nan 0.000 0.439 179 L N -0.478 120.684 121.223 -0.101 0.000 2.017 179 L HA -0.266 4.083 4.340 0.016 0.000 0.234 179 L C -0.175 176.666 176.870 -0.047 0.000 1.097 179 L CA 2.555 57.359 54.840 -0.060 0.000 0.816 179 L CB -2.921 39.119 42.059 -0.032 0.000 0.914 179 L HN 0.230 nan 8.230 nan 0.000 0.444 180 P HA -0.185 nan 4.420 nan 0.000 0.221 180 P C 1.234 178.511 177.300 -0.039 0.000 1.141 180 P CA 1.575 64.658 63.100 -0.029 0.000 0.794 180 P CB -0.069 31.618 31.700 -0.022 0.000 0.764 181 K N -1.157 119.203 120.400 -0.068 0.000 2.242 181 K HA 0.132 4.461 4.320 0.016 0.000 0.200 181 K C 1.891 178.419 176.600 -0.121 0.000 1.050 181 K CA 0.541 56.774 56.287 -0.090 0.000 0.981 181 K CB -0.511 31.921 32.500 -0.112 0.000 0.795 181 K HN 0.139 nan 8.250 nan 0.000 0.477 182 L N 1.571 122.733 121.223 -0.101 0.000 2.362 182 L HA -0.125 4.224 4.340 0.016 0.000 0.219 182 L C 1.106 177.981 176.870 0.009 0.000 1.134 182 L CA 1.038 55.856 54.840 -0.036 0.000 0.807 182 L CB -0.242 41.827 42.059 0.016 0.000 0.927 182 L HN 0.235 nan 8.230 nan 0.000 0.447 183 D N -0.754 119.640 120.400 -0.010 0.000 2.323 183 D HA -0.103 4.546 4.640 0.016 0.000 0.218 183 D C 1.935 178.241 176.300 0.009 0.000 0.973 183 D CA 0.524 54.531 54.000 0.011 0.000 0.890 183 D CB 0.329 41.135 40.800 0.010 0.000 1.011 183 D HN 0.228 nan 8.370 nan 0.000 0.499 184 E N -0.041 120.156 120.200 -0.006 0.000 2.106 184 E HA -0.129 4.230 4.350 0.016 0.000 0.192 184 E C 1.744 178.357 176.600 0.021 0.000 0.984 184 E CA 0.467 56.875 56.400 0.013 0.000 0.806 184 E CB 0.200 29.904 29.700 0.006 0.000 0.750 184 E HN 0.022 nan 8.360 nan 0.000 0.458 185 L N 0.813 122.015 121.223 -0.036 0.000 2.023 185 L HA -0.123 4.227 4.340 0.016 0.000 0.205 185 L C 2.457 179.320 176.870 -0.012 0.000 1.073 185 L CA 1.515 56.323 54.840 -0.053 0.000 0.745 185 L CB -0.813 41.011 42.059 -0.392 0.000 0.900 185 L HN 0.061 nan 8.230 nan 0.000 0.435 186 R N -0.096 120.427 120.500 0.039 0.000 2.096 186 R HA -0.225 4.125 4.340 0.016 0.000 0.240 186 R C 1.817 178.118 176.300 0.001 0.000 1.139 186 R CA 2.193 58.314 56.100 0.035 0.000 0.952 186 R CB -0.380 29.952 30.300 0.053 0.000 0.854 186 R HN 0.348 nan 8.270 nan 0.000 0.436 187 D N 0.105 120.521 120.400 0.026 0.000 2.097 187 D HA -0.142 4.507 4.640 0.016 0.000 0.195 187 D C 1.847 178.184 176.300 0.062 0.000 0.989 187 D CA 1.332 55.360 54.000 0.047 0.000 0.827 187 D CB -0.178 40.658 40.800 0.060 0.000 0.966 187 D HN 0.348 nan 8.370 nan 0.000 0.456 188 E N -0.234 120.012 120.200 0.078 0.000 2.023 188 E HA -0.123 4.236 4.350 0.016 0.000 0.196 188 E C 2.178 178.799 176.600 0.034 0.000 1.003 188 E CA 1.459 57.950 56.400 0.151 0.000 0.809 188 E CB -0.422 29.464 29.700 0.310 0.000 0.755 188 E HN 0.297 nan 8.360 nan 0.000 0.449 189 G N 0.637 109.254 108.800 -0.306 0.000 2.450 189 G HA2 -0.281 3.689 3.960 0.016 0.000 0.220 189 G HA3 -0.281 3.689 3.960 0.016 0.000 0.220 189 G C 1.394 176.223 174.900 -0.119 0.000 1.130 189 G CA 0.734 45.519 45.100 -0.526 0.000 0.760 189 G HN 0.117 nan 8.290 nan 0.000 0.557 190 K N 0.397 120.761 120.400 -0.060 0.000 2.103 190 K HA 0.098 4.427 4.320 0.016 0.000 0.204 190 K C 2.952 179.586 176.600 0.056 0.000 1.052 190 K CA 0.865 57.159 56.287 0.011 0.000 0.945 190 K CB -0.147 32.369 32.500 0.027 0.000 0.722 190 K HN 0.277 nan 8.250 nan 0.000 0.443 191 A N 1.180 124.046 122.820 0.076 0.000 1.873 191 A HA -0.169 4.160 4.320 0.016 0.000 0.215 191 A C 2.254 179.885 177.584 0.080 0.000 1.186 191 A CA 2.047 54.140 52.037 0.094 0.000 0.616 191 A CB -0.679 18.404 19.000 0.138 0.000 0.823 191 A HN 0.321 nan 8.150 nan 0.000 0.442 192 S N -0.504 115.267 115.700 0.119 0.000 2.353 192 S HA -0.191 4.288 4.470 0.016 0.000 0.222 192 S C 2.323 176.911 174.600 -0.020 0.000 1.035 192 S CA 2.259 60.522 58.200 0.105 0.000 1.025 192 S CB -0.623 62.745 63.200 0.280 0.000 0.902 192 S HN 0.575 nan 8.310 nan 0.000 0.440 193 S N 0.669 116.386 115.700 0.028 0.000 2.368 193 S HA -0.004 4.476 4.470 0.016 0.000 0.225 193 S C 2.108 176.719 174.600 0.018 0.000 1.030 193 S CA 1.466 59.672 58.200 0.010 0.000 0.999 193 S CB -0.893 62.408 63.200 0.168 0.000 0.844 193 S HN 0.768 nan 8.310 nan 0.000 0.459 194 A N 1.056 123.898 122.820 0.036 0.000 1.930 194 A HA -0.044 4.285 4.320 0.016 0.000 0.217 194 A C 2.129 179.710 177.584 -0.005 0.000 1.175 194 A CA 1.430 53.482 52.037 0.025 0.000 0.627 194 A CB -0.462 18.558 19.000 0.034 0.000 0.815 194 A HN 0.584 nan 8.150 nan 0.000 0.443 195 K N -0.488 119.904 120.400 -0.014 0.000 2.057 195 K HA -0.168 4.162 4.320 0.016 0.000 0.207 195 K C 2.328 178.900 176.600 -0.047 0.000 1.049 195 K CA 1.648 57.913 56.287 -0.038 0.000 0.931 195 K CB -0.207 32.275 32.500 -0.029 0.000 0.714 195 K HN 0.622 nan 8.250 nan 0.000 0.440 196 Q N 0.235 120.004 119.800 -0.052 0.000 2.084 196 Q HA -0.115 4.234 4.340 0.016 0.000 0.202 196 Q C 2.135 178.122 176.000 -0.022 0.000 0.978 196 Q CA 1.193 56.965 55.803 -0.052 0.000 0.844 196 Q CB -0.048 28.620 28.738 -0.117 0.000 0.898 196 Q HN 0.247 nan 8.270 nan 0.000 0.426 197 R N 0.229 120.717 120.500 -0.020 0.000 2.092 197 R HA -0.111 4.238 4.340 0.016 0.000 0.231 197 R C 2.318 178.607 176.300 -0.018 0.000 1.119 197 R CA 0.769 56.858 56.100 -0.018 0.000 0.970 197 R CB -0.398 29.895 30.300 -0.012 0.000 0.864 197 R HN 0.185 nan 8.270 nan 0.000 0.440 198 L N 1.905 123.111 121.223 -0.028 0.000 1.994 198 L HA -0.177 4.173 4.340 0.016 0.000 0.208 198 L C 1.792 178.625 176.870 -0.061 0.000 1.071 198 L CA 1.890 56.702 54.840 -0.046 0.000 0.745 198 L CB -0.404 41.611 42.059 -0.074 0.000 0.892 198 L HN -0.046 nan 8.230 nan 0.000 0.431 199 K N -1.290 119.066 120.400 -0.073 0.000 2.097 199 K HA -0.160 4.170 4.320 0.016 0.000 0.206 199 K C 2.072 178.717 176.600 0.074 0.000 1.049 199 K CA 1.540 57.794 56.287 -0.055 0.000 0.933 199 K CB -0.542 31.960 32.500 0.004 0.000 0.717 199 K HN 0.427 nan 8.250 nan 0.000 0.442 200 c N 0.303 118.943 118.600 0.067 0.000 2.456 200 c HA 0.056 4.636 4.570 0.016 0.000 0.279 200 c C 2.662 176.779 174.090 0.045 0.000 1.427 200 c CA 0.502 56.870 56.329 0.066 0.000 1.778 200 c CB -0.817 41.716 42.510 0.037 0.000 1.842 200 c HN 0.509 nan 8.230 nan 0.000 0.531 201 A N 0.189 123.033 122.820 0.040 0.000 1.911 201 A HA -0.008 4.321 4.320 0.016 0.000 0.212 201 A C 2.219 179.881 177.584 0.131 0.000 1.189 201 A CA 1.507 53.576 52.037 0.054 0.000 0.639 201 A CB -0.674 18.352 19.000 0.044 0.000 0.839 201 A HN 0.478 nan 8.150 nan 0.000 0.449 202 S N 0.304 116.089 115.700 0.142 0.000 2.370 202 S HA -0.161 4.318 4.470 0.016 0.000 0.226 202 S C 1.859 176.631 174.600 0.286 0.000 1.033 202 S CA 1.389 59.737 58.200 0.247 0.000 1.011 202 S CB -0.535 62.633 63.200 -0.054 0.000 0.852 202 S HN 0.485 nan 8.310 nan 0.000 0.457 203 L N 1.446 122.784 121.223 0.192 0.000 1.955 203 L HA -0.267 4.082 4.340 0.016 0.000 0.213 203 L C 3.013 179.929 176.870 0.076 0.000 1.072 203 L CA 1.798 56.709 54.840 0.118 0.000 0.755 203 L CB -0.672 41.381 42.059 -0.011 0.000 0.888 203 L HN 0.321 nan 8.230 nan 0.000 0.432 204 Q N -0.502 119.327 119.800 0.048 0.000 1.993 204 Q HA -0.249 4.101 4.340 0.016 0.000 0.202 204 Q C 2.178 178.170 176.000 -0.013 0.000 0.984 204 Q CA 1.807 57.617 55.803 0.010 0.000 0.837 204 Q CB -0.534 28.202 28.738 -0.003 0.000 0.902 204 Q HN 0.526 nan 8.270 nan 0.000 0.423 205 K N -0.551 119.835 120.400 -0.023 0.000 2.032 205 K HA -0.069 4.260 4.320 0.016 0.000 0.209 205 K C 1.686 178.065 176.600 -0.368 0.000 1.048 205 K CA 1.557 57.706 56.287 -0.230 0.000 0.927 205 K CB -0.184 32.125 32.500 -0.317 0.000 0.712 205 K HN 0.366 nan 8.250 nan 0.000 0.441 206 F N 0.281 120.236 119.950 0.008 0.000 2.664 206 F HA 0.250 4.786 4.527 0.014 0.000 0.303 206 F C 1.003 176.823 175.800 0.034 0.000 1.092 206 F CA 0.073 58.086 58.000 0.021 0.000 1.305 206 F CB 0.341 39.356 39.000 0.024 0.000 1.054 206 F HN 0.111 nan 8.300 nan 0.000 0.565 207 G N 1.572 110.462 108.800 0.150 0.000 2.819 207 G HA2 -0.295 3.675 3.960 0.016 0.000 0.682 207 G HA3 -0.295 3.675 3.960 0.016 0.000 0.682 207 G C 0.752 175.730 174.900 0.131 0.000 1.481 207 G CA 0.015 45.176 45.100 0.102 0.000 0.904 207 G HN 0.525 nan 8.290 nan 0.000 0.563 208 E N -0.004 120.239 120.200 0.072 0.000 2.274 208 E HA -0.068 4.292 4.350 0.016 0.000 0.194 208 E C 2.216 178.917 176.600 0.168 0.000 0.996 208 E CA 0.929 57.378 56.400 0.082 0.000 0.840 208 E CB 0.002 29.694 29.700 -0.013 0.000 0.772 208 E HN 0.540 nan 8.360 nan 0.000 0.491 209 R N 0.930 121.513 120.500 0.137 0.000 2.080 209 R HA -0.149 4.201 4.340 0.016 0.000 0.236 209 R C 2.300 178.702 176.300 0.171 0.000 1.137 209 R CA 1.739 57.924 56.100 0.141 0.000 0.943 209 R CB -0.558 29.812 30.300 0.117 0.000 0.846 209 R HN 0.330 nan 8.270 nan 0.000 0.431 210 A N 0.433 123.361 122.820 0.180 0.000 1.902 210 A HA -0.209 4.120 4.320 0.016 0.000 0.217 210 A C 2.048 179.746 177.584 0.190 0.000 1.181 210 A CA 1.431 53.567 52.037 0.165 0.000 0.623 210 A CB -0.849 18.252 19.000 0.167 0.000 0.818 210 A HN 0.506 nan 8.150 nan 0.000 0.443 211 F N 0.610 120.594 119.950 0.056 0.000 2.134 211 F HA -0.147 4.390 4.527 0.016 0.000 0.299 211 F C 2.138 177.988 175.800 0.083 0.000 1.097 211 F CA 2.145 60.164 58.000 0.031 0.000 1.264 211 F CB -0.184 38.805 39.000 -0.020 0.000 1.001 211 F HN 0.125 nan 8.300 nan 0.000 0.479 212 K N -0.006 120.625 120.400 0.386 0.000 2.057 212 K HA -0.130 4.200 4.320 0.016 0.000 0.207 212 K C 2.306 178.984 176.600 0.131 0.000 1.049 212 K CA 1.138 57.578 56.287 0.256 0.000 0.931 212 K CB -0.521 32.102 32.500 0.205 0.000 0.714 212 K HN 0.348 nan 8.250 nan 0.000 0.440 213 A N 0.270 123.168 122.820 0.130 0.000 1.933 213 A HA -0.200 4.130 4.320 0.016 0.000 0.218 213 A C 1.860 179.462 177.584 0.029 0.000 1.175 213 A CA 1.236 53.325 52.037 0.087 0.000 0.628 213 A CB -0.748 18.308 19.000 0.093 0.000 0.814 213 A HN 0.544 nan 8.150 nan 0.000 0.444 214 W N 0.197 121.399 121.300 -0.163 0.000 2.380 214 W HA -0.041 4.627 4.660 0.013 0.000 0.317 214 W C 2.640 178.995 176.519 -0.274 0.000 1.196 214 W CA 2.183 59.376 57.345 -0.253 0.000 1.307 214 W CB -0.306 28.927 29.460 -0.378 0.000 1.157 214 W HN 0.333 nan 8.180 nan 0.000 0.483 215 A N -0.376 122.420 122.820 -0.041 0.000 1.986 215 A HA -0.217 4.112 4.320 0.016 0.000 0.220 215 A C 1.966 179.483 177.584 -0.111 0.000 1.171 215 A CA 2.292 54.268 52.037 -0.101 0.000 0.640 215 A CB -1.224 17.723 19.000 -0.087 0.000 0.811 215 A HN 0.199 nan 8.150 nan 0.000 0.451 216 V N -0.369 119.503 119.914 -0.071 0.000 2.244 216 V HA -0.238 3.892 4.120 0.016 0.000 0.244 216 V C 3.087 179.124 176.094 -0.095 0.000 1.042 216 V CA 2.004 64.284 62.300 -0.034 0.000 1.006 216 V CB -1.273 30.576 31.823 0.044 0.000 0.641 216 V HN 0.631 nan 8.190 nan 0.000 0.446 217 A N -0.009 122.698 122.820 -0.188 0.000 1.908 217 A HA -0.296 4.034 4.320 0.016 0.000 0.218 217 A C 2.290 179.658 177.584 -0.360 0.000 1.181 217 A CA 2.403 54.275 52.037 -0.274 0.000 0.627 217 A CB -0.581 18.197 19.000 -0.371 0.000 0.818 217 A HN 0.435 nan 8.150 nan 0.000 0.445 218 R N -0.099 120.101 120.500 -0.500 0.000 2.070 218 R HA 0.031 4.380 4.340 0.016 0.000 0.233 218 R C 1.928 178.006 176.300 -0.370 0.000 1.137 218 R CA 1.654 57.441 56.100 -0.520 0.000 0.945 218 R CB -0.876 29.036 30.300 -0.646 0.000 0.845 218 R HN 0.525 nan 8.270 nan 0.000 0.430 219 L N -0.021 121.033 121.223 -0.282 0.000 2.291 219 L HA -0.054 4.296 4.340 0.016 0.000 0.214 219 L C 2.034 178.767 176.870 -0.229 0.000 1.120 219 L CA 0.980 55.642 54.840 -0.297 0.000 0.799 219 L CB -0.186 41.820 42.059 -0.088 0.000 0.925 219 L HN 0.199 nan 8.230 nan 0.000 0.446 220 S N -0.542 115.081 115.700 -0.128 0.000 2.371 220 S HA -0.175 4.304 4.470 0.016 0.000 0.224 220 S C 1.883 176.381 174.600 -0.170 0.000 1.029 220 S CA 1.013 59.172 58.200 -0.069 0.000 0.978 220 S CB -0.083 63.079 63.200 -0.063 0.000 0.833 220 S HN 0.462 nan 8.310 nan 0.000 0.466 221 Q N 0.482 120.146 119.800 -0.227 0.000 2.084 221 Q HA -0.061 4.288 4.340 0.016 0.000 0.202 221 Q C 2.402 178.261 176.000 -0.234 0.000 0.978 221 Q CA 1.108 56.775 55.803 -0.226 0.000 0.844 221 Q CB -0.141 28.456 28.738 -0.236 0.000 0.898 221 Q HN 0.197 nan 8.270 nan 0.000 0.426 222 R N 0.033 120.319 120.500 -0.356 0.000 2.081 222 R HA -0.077 4.272 4.340 0.016 0.000 0.235 222 R C -0.088 176.006 176.300 -0.342 0.000 1.131 222 R CA 1.159 56.959 56.100 -0.500 0.000 0.960 222 R CB 0.189 29.935 30.300 -0.923 0.000 0.856 222 R HN 0.066 nan 8.270 nan 0.000 0.436 223 F N 0.590 120.519 119.950 -0.035 0.000 2.449 223 F HA 0.389 4.926 4.527 0.017 0.000 0.329 223 F C -1.753 174.038 175.800 -0.015 0.000 1.245 223 F CA -3.238 54.755 58.000 -0.011 0.000 1.193 223 F CB 1.548 40.561 39.000 0.022 0.000 1.425 223 F HN 0.004 nan 8.300 nan 0.000 0.544 224 P HA -0.118 nan 4.420 nan 0.000 0.226 224 P C 1.185 178.501 177.300 0.027 0.000 1.153 224 P CA 1.091 64.181 63.100 -0.017 0.000 0.777 224 P CB 0.498 32.149 31.700 -0.081 0.000 0.794 225 K N -0.222 120.227 120.400 0.083 0.000 2.314 225 K HA 0.211 4.541 4.320 0.016 0.000 0.198 225 K C 1.130 177.804 176.600 0.122 0.000 1.045 225 K CA 0.123 56.456 56.287 0.077 0.000 0.988 225 K CB -0.383 32.147 32.500 0.050 0.000 0.783 225 K HN 0.044 nan 8.250 nan 0.000 0.484 226 A N 1.210 124.131 122.820 0.169 0.000 2.483 226 A HA 0.055 4.384 4.320 0.016 0.000 0.238 226 A C -0.185 177.566 177.584 0.278 0.000 1.070 226 A CA -0.202 51.942 52.037 0.178 0.000 0.770 226 A CB 0.314 19.424 19.000 0.184 0.000 1.008 226 A HN 0.104 nan 8.150 nan 0.000 0.497 227 E N 0.308 120.616 120.200 0.180 0.000 2.343 227 E HA 0.212 4.571 4.350 0.016 0.000 0.269 227 E C 0.803 177.405 176.600 0.003 0.000 1.047 227 E CA -0.167 56.330 56.400 0.162 0.000 0.874 227 E CB 1.022 30.785 29.700 0.104 0.000 1.033 227 E HN 0.610 nan 8.360 nan 0.000 0.409 228 F N 2.316 121.988 119.950 -0.463 0.000 2.184 228 F HA -0.248 4.288 4.527 0.015 0.000 0.301 228 F C 2.099 177.732 175.800 -0.278 0.000 1.076 228 F CA 2.171 59.706 58.000 -0.776 0.000 1.295 228 F CB -0.272 38.220 39.000 -0.846 0.000 1.026 228 F HN 0.620 nan 8.300 nan 0.000 0.494 229 A N -0.429 122.365 122.820 -0.043 0.000 1.930 229 A HA -0.186 4.143 4.320 0.016 0.000 0.217 229 A C 2.044 179.565 177.584 -0.104 0.000 1.175 229 A CA 1.712 53.722 52.037 -0.044 0.000 0.627 229 A CB -0.783 18.248 19.000 0.052 0.000 0.815 229 A HN 0.447 nan 8.150 nan 0.000 0.443 230 E N -0.122 120.044 120.200 -0.056 0.000 2.047 230 E HA -0.100 4.260 4.350 0.016 0.000 0.191 230 E C 1.914 178.485 176.600 -0.048 0.000 0.987 230 E CA 1.385 57.782 56.400 -0.005 0.000 0.799 230 E CB -0.408 29.317 29.700 0.043 0.000 0.752 230 E HN 0.227 nan 8.360 nan 0.000 0.449 231 V N 0.434 120.284 119.914 -0.107 0.000 2.282 231 V HA -0.325 3.804 4.120 0.016 0.000 0.249 231 V C 2.304 178.266 176.094 -0.219 0.000 1.057 231 V CA 2.153 64.387 62.300 -0.111 0.000 1.032 231 V CB -0.797 30.934 31.823 -0.153 0.000 0.645 231 V HN 0.261 nan 8.190 nan 0.000 0.447 232 S N -0.685 114.750 115.700 -0.442 0.000 2.370 232 S HA -0.255 4.224 4.470 0.016 0.000 0.226 232 S C 2.019 176.519 174.600 -0.167 0.000 1.033 232 S CA 1.657 59.636 58.200 -0.367 0.000 1.011 232 S CB -0.362 62.570 63.200 -0.446 0.000 0.852 232 S HN 0.532 nan 8.310 nan 0.000 0.457 233 K N 1.252 121.570 120.400 -0.138 0.000 2.009 233 K HA -0.094 4.235 4.320 0.016 0.000 0.210 233 K C 2.070 178.604 176.600 -0.110 0.000 1.049 233 K CA 1.291 57.512 56.287 -0.109 0.000 0.929 233 K CB -0.450 31.995 32.500 -0.092 0.000 0.714 233 K HN 0.335 nan 8.250 nan 0.000 0.440 234 L N 0.531 121.714 121.223 -0.068 0.000 2.017 234 L HA -0.177 4.172 4.340 0.016 0.000 0.208 234 L C 2.522 179.405 176.870 0.022 0.000 1.073 234 L CA 0.780 55.613 54.840 -0.012 0.000 0.745 234 L CB -0.544 41.567 42.059 0.086 0.000 0.894 234 L HN -0.058 nan 8.230 nan 0.000 0.432 235 V N -0.343 119.578 119.914 0.011 0.000 2.380 235 V HA -0.324 3.805 4.120 0.016 0.000 0.251 235 V C 2.551 178.688 176.094 0.070 0.000 1.063 235 V CA 2.399 64.727 62.300 0.048 0.000 1.055 235 V CB -0.818 31.011 31.823 0.009 0.000 0.657 235 V HN 0.517 nan 8.190 nan 0.000 0.455 236 T N -0.639 113.923 114.554 0.015 0.000 2.701 236 T HA -0.166 4.194 4.350 0.016 0.000 0.263 236 T C 1.688 176.393 174.700 0.009 0.000 1.040 236 T CA 1.613 63.718 62.100 0.009 0.000 1.147 236 T CB -0.380 68.473 68.868 -0.024 0.000 0.865 236 T HN 0.456 nan 8.240 nan 0.000 0.426 237 D N 1.180 121.567 120.400 -0.021 0.000 2.104 237 D HA -0.052 4.597 4.640 0.016 0.000 0.194 237 D C 2.124 178.452 176.300 0.048 0.000 0.994 237 D CA 0.575 54.562 54.000 -0.022 0.000 0.830 237 D CB -0.560 40.191 40.800 -0.082 0.000 0.959 237 D HN 0.174 nan 8.370 nan 0.000 0.452 238 L N 0.791 122.073 121.223 0.099 0.000 2.043 238 L HA -0.210 4.139 4.340 0.016 0.000 0.212 238 L C 2.082 179.117 176.870 0.275 0.000 1.075 238 L CA 1.539 56.505 54.840 0.211 0.000 0.752 238 L CB -0.520 41.671 42.059 0.220 0.000 0.891 238 L HN 0.110 nan 8.230 nan 0.000 0.432 239 T N -1.329 113.342 114.554 0.194 0.000 2.867 239 T HA -0.178 4.181 4.350 0.016 0.000 0.268 239 T C 1.968 176.624 174.700 -0.073 0.000 1.057 239 T CA 1.446 63.562 62.100 0.026 0.000 1.136 239 T CB -0.105 68.766 68.868 0.005 0.000 0.874 239 T HN 0.218 nan 8.240 nan 0.000 0.466 240 K N 0.972 121.367 120.400 -0.008 0.000 2.228 240 K HA 0.057 4.386 4.320 0.016 0.000 0.202 240 K C 2.233 178.829 176.600 -0.006 0.000 1.051 240 K CA 0.601 56.872 56.287 -0.028 0.000 0.960 240 K CB -0.849 31.638 32.500 -0.022 0.000 0.743 240 K HN 0.357 nan 8.250 nan 0.000 0.458 241 V N 0.754 120.691 119.914 0.039 0.000 2.323 241 V HA -0.148 3.981 4.120 0.016 0.000 0.244 241 V C 2.567 178.655 176.094 -0.011 0.000 1.041 241 V CA 2.000 64.312 62.300 0.019 0.000 1.025 241 V CB -0.744 31.099 31.823 0.035 0.000 0.656 241 V HN 0.623 nan 8.190 nan 0.000 0.451 242 H N 0.139 119.188 119.070 -0.035 0.000 2.353 242 H HA -0.139 4.427 4.556 0.016 0.000 0.300 242 H C 2.506 177.779 175.328 -0.092 0.000 1.090 242 H CA 2.008 58.029 56.048 -0.045 0.000 1.327 242 H CB -0.185 29.574 29.762 -0.005 0.000 1.383 242 H HN 0.400 nan 8.280 nan 0.000 0.508 243 T N 0.810 115.346 114.554 -0.030 0.000 2.720 243 T HA -0.187 4.173 4.350 0.016 0.000 0.268 243 T C 1.937 176.638 174.700 0.001 0.000 1.037 243 T CA 1.846 63.909 62.100 -0.062 0.000 1.144 243 T CB -0.152 68.652 68.868 -0.107 0.000 0.864 243 T HN 0.683 nan 8.240 nan 0.000 0.444 244 E N -0.233 119.968 120.200 0.002 0.000 2.318 244 E HA -0.014 4.346 4.350 0.016 0.000 0.193 244 E C 2.075 178.727 176.600 0.088 0.000 0.998 244 E CA 0.602 57.030 56.400 0.047 0.000 0.859 244 E CB -0.546 29.162 29.700 0.013 0.000 0.812 244 E HN 0.426 nan 8.360 nan 0.000 0.492 245 c N 0.595 119.203 118.600 0.014 0.000 2.457 245 c HA 0.008 4.587 4.570 0.016 0.000 0.278 245 c C 2.802 176.923 174.090 0.051 0.000 1.309 245 c CA 0.183 56.503 56.329 -0.016 0.000 1.735 245 c CB -0.937 41.469 42.510 -0.173 0.000 1.992 245 c HN 0.667 nan 8.230 nan 0.000 0.493 246 c N -0.696 117.942 118.600 0.064 0.000 2.429 246 c HA -0.163 4.417 4.570 0.016 0.000 0.277 246 c C 2.696 176.891 174.090 0.175 0.000 1.262 246 c CA 1.054 57.446 56.329 0.105 0.000 1.733 246 c CB -1.784 40.773 42.510 0.078 0.000 2.010 246 c HN 0.678 nan 8.230 nan 0.000 0.483 247 H N 0.114 119.226 119.070 0.069 0.000 2.492 247 H HA -0.089 4.476 4.556 0.015 0.000 0.296 247 H C 1.929 177.336 175.328 0.132 0.000 1.095 247 H CA 1.561 57.661 56.048 0.087 0.000 1.281 247 H CB -0.178 29.616 29.762 0.055 0.000 1.374 247 H HN 0.613 nan 8.280 nan 0.000 0.545 248 G N 0.725 109.594 108.800 0.115 0.000 2.194 248 G HA2 -0.250 3.719 3.960 0.016 0.000 0.236 248 G HA3 -0.250 3.719 3.960 0.016 0.000 0.236 248 G C 0.020 174.901 174.900 -0.032 0.000 0.987 248 G CA 0.308 45.390 45.100 -0.031 0.000 0.635 248 G HN 0.522 nan 8.290 nan 0.000 0.520 249 D N 1.036 121.502 120.400 0.110 0.000 2.359 249 D HA 0.364 5.013 4.640 0.016 0.000 0.250 249 D C 1.672 178.040 176.300 0.113 0.000 1.264 249 D CA -0.304 53.795 54.000 0.166 0.000 0.911 249 D CB 0.692 41.663 40.800 0.285 0.000 1.056 249 D HN 0.167 nan 8.370 nan 0.000 0.499 250 L N 5.238 126.488 121.223 0.045 0.000 1.989 250 L HA -0.169 4.180 4.340 0.016 0.000 0.211 250 L C 1.838 178.717 176.870 0.016 0.000 1.071 250 L CA 1.749 56.600 54.840 0.019 0.000 0.749 250 L CB -0.514 41.486 42.059 -0.097 0.000 0.890 250 L HN 0.548 nan 8.230 nan 0.000 0.431 251 L N -0.661 120.508 121.223 -0.090 0.000 2.012 251 L HA -0.213 4.136 4.340 0.016 0.000 0.210 251 L C 2.649 179.580 176.870 0.102 0.000 1.073 251 L CA 1.552 56.342 54.840 -0.082 0.000 0.748 251 L CB -0.742 41.090 42.059 -0.378 0.000 0.891 251 L HN 0.338 nan 8.230 nan 0.000 0.431 252 E N -0.128 120.190 120.200 0.197 0.000 2.038 252 E HA -0.269 4.090 4.350 0.016 0.000 0.195 252 E C 2.291 178.963 176.600 0.120 0.000 1.000 252 E CA 1.829 58.343 56.400 0.189 0.000 0.803 252 E CB -0.689 29.126 29.700 0.191 0.000 0.750 252 E HN 0.480 nan 8.360 nan 0.000 0.448 253 c N 0.279 118.944 118.600 0.109 0.000 2.413 253 c HA -0.033 4.547 4.570 0.016 0.000 0.277 253 c C 2.746 176.891 174.090 0.092 0.000 1.265 253 c CA 1.597 57.965 56.329 0.065 0.000 1.752 253 c CB -1.392 41.147 42.510 0.049 0.000 1.998 253 c HN 0.522 nan 8.230 nan 0.000 0.489 254 A N 0.193 123.119 122.820 0.177 0.000 1.877 254 A HA -0.150 4.179 4.320 0.016 0.000 0.216 254 A C 1.970 179.645 177.584 0.150 0.000 1.186 254 A CA 2.183 54.354 52.037 0.223 0.000 0.620 254 A CB -0.788 18.306 19.000 0.156 0.000 0.822 254 A HN 0.636 nan 8.150 nan 0.000 0.443 255 D N 0.084 120.557 120.400 0.123 0.000 2.097 255 D HA -0.127 4.522 4.640 0.016 0.000 0.195 255 D C 1.429 177.785 176.300 0.093 0.000 0.989 255 D CA 1.584 55.652 54.000 0.114 0.000 0.827 255 D CB -0.478 40.391 40.800 0.115 0.000 0.966 255 D HN 0.395 nan 8.370 nan 0.000 0.456 256 D N 0.021 120.465 120.400 0.073 0.000 2.123 256 D HA -0.096 4.553 4.640 0.016 0.000 0.196 256 D C 2.167 178.496 176.300 0.050 0.000 0.992 256 D CA 0.775 54.805 54.000 0.049 0.000 0.833 256 D CB -0.041 40.775 40.800 0.027 0.000 0.954 256 D HN 0.107 nan 8.370 nan 0.000 0.455 257 R N 0.084 120.613 120.500 0.048 0.000 2.075 257 R HA 0.053 4.402 4.340 0.016 0.000 0.232 257 R C 2.215 178.575 176.300 0.099 0.000 1.126 257 R CA 1.084 57.215 56.100 0.052 0.000 0.963 257 R CB -0.177 30.136 30.300 0.021 0.000 0.858 257 R HN 0.116 nan 8.270 nan 0.000 0.435 258 A N 1.311 124.201 122.820 0.117 0.000 1.902 258 A HA -0.201 4.129 4.320 0.016 0.000 0.217 258 A C 1.552 179.205 177.584 0.115 0.000 1.181 258 A CA 1.780 53.892 52.037 0.125 0.000 0.623 258 A CB -0.407 18.671 19.000 0.130 0.000 0.818 258 A HN 0.171 nan 8.150 nan 0.000 0.443 259 D N -0.435 120.027 120.400 0.104 0.000 2.084 259 D HA -0.139 4.511 4.640 0.016 0.000 0.194 259 D C 1.851 178.226 176.300 0.126 0.000 0.990 259 D CA 1.366 55.428 54.000 0.103 0.000 0.826 259 D CB -0.469 40.377 40.800 0.077 0.000 0.971 259 D HN 0.303 nan 8.370 nan 0.000 0.453 260 L N 0.788 122.074 121.223 0.105 0.000 2.079 260 L HA -0.086 4.263 4.340 0.016 0.000 0.210 260 L C 2.044 179.014 176.870 0.166 0.000 1.081 260 L CA 1.664 56.575 54.840 0.119 0.000 0.752 260 L CB -0.756 41.352 42.059 0.082 0.000 0.896 260 L HN -0.028 nan 8.230 nan 0.000 0.433 261 A N -0.502 122.400 122.820 0.137 0.000 1.897 261 A HA -0.220 4.109 4.320 0.016 0.000 0.215 261 A C 2.405 180.056 177.584 0.111 0.000 1.181 261 A CA 1.618 53.730 52.037 0.125 0.000 0.620 261 A CB -0.554 18.518 19.000 0.119 0.000 0.821 261 A HN 0.521 nan 8.150 nan 0.000 0.443 262 K N -1.613 118.857 120.400 0.117 0.000 2.057 262 K HA -0.222 4.107 4.320 0.016 0.000 0.207 262 K C 1.905 178.554 176.600 0.081 0.000 1.049 262 K CA 1.844 58.186 56.287 0.091 0.000 0.931 262 K CB -0.472 32.087 32.500 0.099 0.000 0.714 262 K HN 0.492 nan 8.250 nan 0.000 0.440 263 Y N 1.442 121.753 120.300 0.019 0.000 2.109 263 Y HA -0.154 4.405 4.550 0.016 0.000 0.285 263 Y C 1.861 177.753 175.900 -0.013 0.000 1.131 263 Y CA 1.903 60.006 58.100 0.005 0.000 1.121 263 Y CB -0.245 38.221 38.460 0.010 0.000 0.987 263 Y HN -0.012 nan 8.280 nan 0.000 0.495 264 I N -0.580 120.100 120.570 0.183 0.000 2.185 264 I HA -0.448 3.732 4.170 0.016 0.000 0.246 264 I C 2.459 178.512 176.117 -0.107 0.000 1.088 264 I CA 1.593 62.914 61.300 0.035 0.000 1.347 264 I CB -0.783 37.264 38.000 0.078 0.000 1.041 264 I HN 0.397 nan 8.210 nan 0.000 0.415 265 c N 0.330 118.895 118.600 -0.058 0.000 2.432 265 c HA -0.120 4.460 4.570 0.016 0.000 0.280 265 c C 2.651 176.677 174.090 -0.107 0.000 1.353 265 c CA 0.672 56.962 56.329 -0.065 0.000 1.766 265 c CB -1.005 41.495 42.510 -0.017 0.000 1.924 265 c HN 0.486 nan 8.230 nan 0.000 0.509 266 E N 0.911 121.013 120.200 -0.163 0.000 2.028 266 E HA -0.104 4.255 4.350 0.016 0.000 0.191 266 E C 1.042 177.511 176.600 -0.217 0.000 0.988 266 E CA 0.932 57.220 56.400 -0.187 0.000 0.799 266 E CB -0.111 29.442 29.700 -0.244 0.000 0.755 266 E HN 0.737 nan 8.360 nan 0.000 0.447 267 N N 0.959 119.462 118.700 -0.327 0.000 2.389 267 N HA 0.003 4.753 4.740 0.016 0.000 0.237 267 N C 0.936 176.329 175.510 -0.195 0.000 1.148 267 N CA -0.302 52.587 53.050 -0.267 0.000 0.854 267 N CB 0.350 38.623 38.487 -0.356 0.000 1.115 267 N HN 0.157 nan 8.380 nan 0.000 0.492 268 Q N 1.358 121.060 119.800 -0.163 0.000 2.047 268 Q HA -0.259 4.090 4.340 0.016 0.000 0.211 268 Q C 0.540 176.469 176.000 -0.119 0.000 1.005 268 Q CA 2.132 57.854 55.803 -0.135 0.000 0.866 268 Q CB 0.005 28.687 28.738 -0.094 0.000 0.938 268 Q HN 0.463 nan 8.270 nan 0.000 0.414 269 D N -0.835 119.511 120.400 -0.089 0.000 2.309 269 D HA -0.095 4.555 4.640 0.016 0.000 0.212 269 D C 1.516 177.778 176.300 -0.063 0.000 0.968 269 D CA 0.888 54.849 54.000 -0.065 0.000 0.882 269 D CB -0.044 40.727 40.800 -0.049 0.000 0.918 269 D HN 0.024 nan 8.370 nan 0.000 0.503 270 S N -1.156 114.494 115.700 -0.083 0.000 2.524 270 S HA 0.175 4.654 4.470 0.016 0.000 0.216 270 S C 1.431 175.985 174.600 -0.076 0.000 0.987 270 S CA 0.078 58.240 58.200 -0.063 0.000 0.909 270 S CB 0.202 63.362 63.200 -0.065 0.000 0.781 270 S HN 0.174 nan 8.310 nan 0.000 0.521 271 I N -1.055 119.426 120.570 -0.147 0.000 3.393 271 I HA 0.289 4.468 4.170 0.016 0.000 0.250 271 I C 0.591 176.565 176.117 -0.237 0.000 1.122 271 I CA 0.015 61.159 61.300 -0.260 0.000 1.484 271 I CB 0.527 38.231 38.000 -0.492 0.000 1.468 271 I HN 0.166 nan 8.210 nan 0.000 0.461 272 S N -0.735 114.835 115.700 -0.216 0.000 2.552 272 S HA 0.211 4.690 4.470 0.016 0.000 0.272 272 S C 0.423 174.997 174.600 -0.044 0.000 1.150 272 S CA -0.032 58.125 58.200 -0.072 0.000 0.849 272 S CB 1.341 64.563 63.200 0.036 0.000 1.113 272 S HN 0.250 nan 8.310 nan 0.000 0.458 273 S N 2.076 117.774 115.700 -0.002 0.000 2.470 273 S HA 0.136 4.616 4.470 0.016 0.000 0.225 273 S C 0.828 175.431 174.600 0.006 0.000 1.006 273 S CA 0.133 58.330 58.200 -0.004 0.000 0.934 273 S CB -0.338 62.862 63.200 0.001 0.000 0.778 273 S HN 0.670 nan 8.310 nan 0.000 0.517 274 K N 1.105 121.522 120.400 0.028 0.000 2.551 274 K HA 0.312 4.642 4.320 0.016 0.000 0.204 274 K C 0.484 177.106 176.600 0.036 0.000 1.033 274 K CA 0.028 56.336 56.287 0.035 0.000 1.187 274 K CB -0.142 32.389 32.500 0.051 0.000 0.900 274 K HN 0.456 nan 8.250 nan 0.000 0.499 275 L N -0.023 121.209 121.223 0.015 0.000 2.693 275 L HA 0.029 4.379 4.340 0.016 0.000 0.235 275 L C 2.513 179.382 176.870 -0.002 0.000 1.127 275 L CA 0.050 54.894 54.840 0.008 0.000 0.914 275 L CB -0.281 41.762 42.059 -0.026 0.000 1.193 275 L HN 0.080 nan 8.230 nan 0.000 0.502 276 K N 1.102 121.499 120.400 -0.005 0.000 2.015 276 K HA -0.285 4.044 4.320 0.016 0.000 0.216 276 K C 1.852 178.451 176.600 -0.002 0.000 1.052 276 K CA 2.297 58.579 56.287 -0.007 0.000 0.937 276 K CB -0.954 31.542 32.500 -0.006 0.000 0.719 276 K HN 0.493 nan 8.250 nan 0.000 0.446 277 E N -0.400 119.800 120.200 0.001 0.000 2.038 277 E HA -0.194 4.166 4.350 0.016 0.000 0.195 277 E C 2.241 178.843 176.600 0.003 0.000 1.000 277 E CA 1.622 58.023 56.400 0.001 0.000 0.803 277 E CB -0.383 29.317 29.700 0.000 0.000 0.750 277 E HN 0.619 nan 8.360 nan 0.000 0.448 278 c N 0.343 118.948 118.600 0.008 0.000 2.413 278 c HA -0.153 4.427 4.570 0.016 0.000 0.277 278 c C 2.755 176.857 174.090 0.020 0.000 1.265 278 c CA 0.609 56.948 56.329 0.016 0.000 1.752 278 c CB -0.930 41.596 42.510 0.027 0.000 1.998 278 c HN 0.636 nan 8.230 nan 0.000 0.489 279 c N 1.221 119.828 118.600 0.013 0.000 2.539 279 c HA 0.006 4.585 4.570 0.016 0.000 0.271 279 c C 2.627 176.723 174.090 0.010 0.000 1.412 279 c CA 1.133 57.469 56.329 0.012 0.000 1.729 279 c CB -1.670 40.839 42.510 -0.002 0.000 1.739 279 c HN 0.863 nan 8.230 nan 0.000 0.570 280 E N 0.168 120.372 120.200 0.007 0.000 2.276 280 E HA 0.063 4.423 4.350 0.016 0.000 0.193 280 E C 0.532 177.136 176.600 0.007 0.000 0.983 280 E CA 0.169 56.572 56.400 0.005 0.000 0.861 280 E CB -0.205 29.495 29.700 0.001 0.000 0.817 280 E HN 0.698 nan 8.360 nan 0.000 0.485 281 K N 1.810 122.215 120.400 0.007 0.000 2.286 281 K HA 0.272 4.601 4.320 0.016 0.000 0.256 281 K C -2.296 174.315 176.600 0.018 0.000 0.999 281 K CA -1.534 54.756 56.287 0.005 0.000 0.908 281 K CB 0.181 32.678 32.500 -0.004 0.000 0.981 281 K HN 0.212 nan 8.250 nan 0.000 0.500 282 P HA -0.046 nan 4.420 nan 0.000 0.273 282 P C 0.535 177.869 177.300 0.057 0.000 1.250 282 P CA -0.261 62.857 63.100 0.030 0.000 0.793 282 P CB 0.458 32.171 31.700 0.022 0.000 1.011 283 L N 0.823 122.082 121.223 0.059 0.000 2.051 283 L HA -0.226 4.123 4.340 0.016 0.000 0.214 283 L C 2.095 179.041 176.870 0.126 0.000 1.076 283 L CA 1.727 56.617 54.840 0.083 0.000 0.758 283 L CB -0.755 41.340 42.059 0.061 0.000 0.890 283 L HN 0.244 nan 8.230 nan 0.000 0.433 284 L N -0.060 121.243 121.223 0.133 0.000 2.046 284 L HA -0.210 4.140 4.340 0.016 0.000 0.208 284 L C 2.135 179.247 176.870 0.404 0.000 1.077 284 L CA 2.074 57.047 54.840 0.221 0.000 0.747 284 L CB -0.452 41.731 42.059 0.207 0.000 0.896 284 L HN 0.484 nan 8.230 nan 0.000 0.432 285 E N -2.105 118.236 120.200 0.236 0.000 2.465 285 E HA 0.007 4.367 4.350 0.016 0.000 0.195 285 E C 1.518 178.204 176.600 0.144 0.000 1.028 285 E CA -0.253 56.216 56.400 0.115 0.000 0.899 285 E CB 0.122 29.664 29.700 -0.264 0.000 1.032 285 E HN 0.358 nan 8.360 nan 0.000 0.468 286 K N 1.414 121.911 120.400 0.163 0.000 1.973 286 K HA -0.112 4.218 4.320 0.016 0.000 0.210 286 K C 2.417 179.110 176.600 0.154 0.000 1.045 286 K CA 1.822 58.186 56.287 0.128 0.000 0.937 286 K CB -0.141 32.425 32.500 0.110 0.000 0.721 286 K HN 0.161 nan 8.250 nan 0.000 0.438 287 S N 0.438 116.255 115.700 0.196 0.000 2.359 287 S HA -0.247 4.233 4.470 0.016 0.000 0.224 287 S C 2.039 176.756 174.600 0.195 0.000 1.035 287 S CA 1.798 60.107 58.200 0.182 0.000 1.018 287 S CB -0.837 62.473 63.200 0.183 0.000 0.876 287 S HN 0.456 nan 8.310 nan 0.000 0.448 288 H N 0.831 120.034 119.070 0.221 0.000 2.319 288 H HA -0.100 4.466 4.556 0.016 0.000 0.299 288 H C 2.451 177.850 175.328 0.118 0.000 1.092 288 H CA 1.877 58.066 56.048 0.235 0.000 1.302 288 H CB -1.041 29.007 29.762 0.477 0.000 1.373 288 H HN 0.512 nan 8.280 nan 0.000 0.497 289 c N 0.083 118.709 118.600 0.042 0.000 2.413 289 c HA -0.144 4.435 4.570 0.016 0.000 0.277 289 c C 2.824 176.887 174.090 -0.044 0.000 1.228 289 c CA 1.346 57.653 56.329 -0.038 0.000 1.731 289 c CB -1.388 41.137 42.510 0.025 0.000 2.042 289 c HN 0.713 nan 8.230 nan 0.000 0.468 290 I N 1.487 122.072 120.570 0.026 0.000 2.208 290 I HA -0.179 4.000 4.170 0.016 0.000 0.245 290 I C 2.807 178.961 176.117 0.061 0.000 1.097 290 I CA 1.719 63.061 61.300 0.070 0.000 1.363 290 I CB -0.686 37.381 38.000 0.112 0.000 1.051 290 I HN 0.409 nan 8.210 nan 0.000 0.413 291 A N -0.304 122.528 122.820 0.019 0.000 2.070 291 A HA -0.197 4.132 4.320 0.016 0.000 0.220 291 A C 2.232 179.784 177.584 -0.054 0.000 1.159 291 A CA 1.526 53.565 52.037 0.004 0.000 0.656 291 A CB -0.435 18.567 19.000 0.003 0.000 0.800 291 A HN 0.472 nan 8.150 nan 0.000 0.453 292 E N -0.840 119.294 120.200 -0.110 0.000 2.460 292 E HA 0.147 4.506 4.350 0.016 0.000 0.200 292 E C 0.197 176.762 176.600 -0.060 0.000 1.011 292 E CA -0.302 56.031 56.400 -0.112 0.000 0.912 292 E CB 0.298 29.879 29.700 -0.199 0.000 0.953 292 E HN 0.302 nan 8.360 nan 0.000 0.494 293 V N 1.827 121.726 119.914 -0.024 0.000 3.239 293 V HA -0.156 3.973 4.120 0.016 0.000 0.297 293 V C 0.299 176.387 176.094 -0.009 0.000 1.206 293 V CA 0.847 63.154 62.300 0.012 0.000 1.325 293 V CB 1.218 33.095 31.823 0.090 0.000 0.981 293 V HN 0.149 nan 8.190 nan 0.000 0.513 294 E N 4.313 124.514 120.200 0.003 0.000 2.314 294 E HA 0.232 4.592 4.350 0.016 0.000 0.262 294 E C -0.036 176.554 176.600 -0.017 0.000 1.093 294 E CA -0.716 55.675 56.400 -0.015 0.000 0.908 294 E CB 1.247 30.944 29.700 -0.005 0.000 1.091 294 E HN 0.860 nan 8.360 nan 0.000 0.425 295 N N 2.521 121.192 118.700 -0.048 0.000 2.492 295 N HA 0.123 4.873 4.740 0.016 0.000 0.260 295 N C -0.386 175.116 175.510 -0.013 0.000 1.215 295 N CA 0.020 53.034 53.050 -0.059 0.000 0.923 295 N CB 0.527 38.960 38.487 -0.090 0.000 1.092 295 N HN 0.536 nan 8.380 nan 0.000 0.448 296 D N 0.458 120.870 120.400 0.019 0.000 2.411 296 D HA 0.299 4.949 4.640 0.016 0.000 0.251 296 D C -0.206 176.089 176.300 -0.008 0.000 1.201 296 D CA -0.165 53.855 54.000 0.033 0.000 0.996 296 D CB 0.556 41.408 40.800 0.086 0.000 1.101 296 D HN 0.523 nan 8.370 nan 0.000 0.504 297 E N 0.857 121.050 120.200 -0.012 0.000 2.301 297 E HA 0.466 4.825 4.350 0.016 0.000 0.275 297 E C 0.219 176.795 176.600 -0.040 0.000 1.030 297 E CA -0.609 55.770 56.400 -0.034 0.000 0.852 297 E CB 0.154 29.836 29.700 -0.029 0.000 1.060 297 E HN 0.512 nan 8.360 nan 0.000 0.401 298 M N 1.503 121.061 119.600 -0.069 0.000 2.217 298 M HA 0.338 4.827 4.480 0.016 0.000 0.354 298 M C -1.701 174.559 176.300 -0.066 0.000 1.225 298 M CA -1.553 53.698 55.300 -0.082 0.000 1.137 298 M CB 0.795 33.316 32.600 -0.132 0.000 1.576 298 M HN 0.181 nan 8.290 nan 0.000 0.461 299 P HA -0.318 nan 4.420 nan 0.000 0.221 299 P C 0.977 178.251 177.300 -0.043 0.000 1.151 299 P CA 2.913 65.991 63.100 -0.036 0.000 0.843 299 P CB -0.037 31.648 31.700 -0.025 0.000 0.778 300 A N -2.837 119.945 122.820 -0.064 0.000 4.287 300 A HA -0.345 3.985 4.320 0.016 0.000 0.258 300 A C 1.370 178.922 177.584 -0.054 0.000 0.811 300 A CA 2.209 54.207 52.037 -0.065 0.000 1.245 300 A CB -2.696 16.272 19.000 -0.052 0.000 1.055 300 A HN 0.429 nan 8.150 nan 0.000 0.763 301 D N 0.097 120.473 120.400 -0.041 0.000 2.561 301 D HA 0.568 5.218 4.640 0.016 0.000 0.232 301 D C 0.233 176.516 176.300 -0.029 0.000 1.198 301 D CA 0.504 54.487 54.000 -0.029 0.000 0.826 301 D CB -0.512 40.278 40.800 -0.016 0.000 0.992 301 D HN 0.750 nan 8.370 nan 0.000 0.490 302 L N 0.394 121.589 121.223 -0.047 0.000 2.290 302 L HA 0.421 4.771 4.340 0.016 0.000 0.284 302 L C -1.433 175.414 176.870 -0.038 0.000 1.078 302 L CA -1.636 53.175 54.840 -0.048 0.000 0.815 302 L CB 0.863 42.869 42.059 -0.088 0.000 1.162 302 L HN 0.113 nan 8.230 nan 0.000 0.435 303 P HA 0.057 nan 4.420 nan 0.000 0.313 303 P C -0.411 176.893 177.300 0.007 0.000 1.332 303 P CA -0.404 62.698 63.100 0.003 0.000 0.777 303 P CB 0.350 32.062 31.700 0.019 0.000 1.599 304 S N -1.209 114.514 115.700 0.039 0.000 2.537 304 S HA 0.309 4.789 4.470 0.016 0.000 0.301 304 S C 1.130 175.821 174.600 0.152 0.000 1.092 304 S CA -0.741 57.504 58.200 0.075 0.000 1.048 304 S CB 0.099 63.348 63.200 0.082 0.000 1.053 304 S HN 0.201 nan 8.310 nan 0.000 0.501 305 L N 2.856 124.225 121.223 0.244 0.000 2.156 305 L HA 0.003 4.353 4.340 0.016 0.000 0.208 305 L C 2.639 179.809 176.870 0.500 0.000 1.095 305 L CA 1.633 56.755 54.840 0.469 0.000 0.770 305 L CB -1.762 40.559 42.059 0.437 0.000 0.914 305 L HN 0.839 nan 8.230 nan 0.000 0.439 306 A N 0.234 123.238 122.820 0.306 0.000 2.076 306 A HA -0.110 4.220 4.320 0.016 0.000 0.220 306 A C 2.540 180.127 177.584 0.004 0.000 1.160 306 A CA 1.541 53.535 52.037 -0.072 0.000 0.653 306 A CB -0.349 18.596 19.000 -0.092 0.000 0.801 306 A HN 0.403 nan 8.150 nan 0.000 0.455 307 A N -0.003 122.853 122.820 0.060 0.000 1.841 307 A HA -0.148 4.182 4.320 0.016 0.000 0.214 307 A C 1.772 179.340 177.584 -0.027 0.000 1.195 307 A CA 1.727 53.775 52.037 0.018 0.000 0.611 307 A CB -0.460 18.552 19.000 0.021 0.000 0.835 307 A HN 0.413 nan 8.150 nan 0.000 0.443 308 D N -1.894 118.445 120.400 -0.101 0.000 2.333 308 D HA 0.094 4.744 4.640 0.016 0.000 0.208 308 D C 0.853 176.865 176.300 -0.481 0.000 0.984 308 D CA 0.745 54.536 54.000 -0.349 0.000 0.873 308 D CB 0.044 40.475 40.800 -0.614 0.000 0.935 308 D HN 0.486 nan 8.370 nan 0.000 0.521 309 F N -0.844 119.183 119.950 0.128 0.000 2.752 309 F HA 0.099 4.636 4.527 0.017 0.000 0.310 309 F C 1.905 177.708 175.800 0.005 0.000 1.097 309 F CA 0.015 58.104 58.000 0.149 0.000 1.238 309 F CB 0.502 39.599 39.000 0.161 0.000 1.061 309 F HN -0.205 nan 8.300 nan 0.000 0.591 310 V N -1.699 118.235 119.914 0.033 0.000 3.137 310 V HA 0.103 4.233 4.120 0.016 0.000 0.236 310 V C 1.597 177.788 176.094 0.162 0.000 1.260 310 V CA 0.423 62.713 62.300 -0.016 0.000 1.244 310 V CB 0.048 31.640 31.823 -0.386 0.000 1.016 310 V HN 0.020 nan 8.190 nan 0.000 0.477 311 E N 1.345 121.581 120.200 0.060 0.000 2.013 311 E HA 0.016 4.376 4.350 0.016 0.000 0.196 311 E C 1.206 177.870 176.600 0.106 0.000 0.964 311 E CA 0.910 57.352 56.400 0.070 0.000 0.854 311 E CB -0.229 29.481 29.700 0.018 0.000 0.816 311 E HN 0.476 nan 8.360 nan 0.000 0.489 312 S N 1.039 116.775 115.700 0.059 0.000 2.777 312 S HA -0.176 4.303 4.470 0.016 0.000 0.333 312 S C 0.074 174.733 174.600 0.098 0.000 1.226 312 S CA 0.183 58.414 58.200 0.051 0.000 1.011 312 S CB 0.387 63.595 63.200 0.013 0.000 0.697 312 S HN 0.140 nan 8.310 nan 0.000 0.481 313 K N 1.283 121.726 120.400 0.072 0.000 2.209 313 K HA 0.398 4.728 4.320 0.016 0.000 0.238 313 K C 0.172 176.802 176.600 0.050 0.000 1.028 313 K CA 0.380 56.720 56.287 0.088 0.000 0.935 313 K CB 0.305 32.835 32.500 0.050 0.000 1.162 313 K HN 0.759 nan 8.250 nan 0.000 0.485 314 D N -1.238 119.184 120.400 0.037 0.000 2.981 314 D HA -0.172 4.477 4.640 0.016 0.000 0.203 314 D C 0.837 177.096 176.300 -0.067 0.000 1.049 314 D CA 0.855 54.847 54.000 -0.014 0.000 1.003 314 D CB -1.860 38.927 40.800 -0.021 0.000 1.085 314 D HN 0.182 nan 8.370 nan 0.000 0.432 315 V N -0.055 119.836 119.914 -0.039 0.000 2.307 315 V HA -0.274 3.855 4.120 0.016 0.000 0.245 315 V C 2.634 178.571 176.094 -0.261 0.000 1.045 315 V CA 2.133 64.344 62.300 -0.149 0.000 1.024 315 V CB -0.292 31.463 31.823 -0.112 0.000 0.651 315 V HN 0.527 nan 8.190 nan 0.000 0.449 316 c N -0.478 118.075 118.600 -0.078 0.000 2.422 316 c HA -0.135 4.444 4.570 0.016 0.000 0.279 316 c C 2.739 176.790 174.090 -0.065 0.000 1.305 316 c CA 1.172 57.497 56.329 -0.006 0.000 1.757 316 c CB -0.929 41.623 42.510 0.072 0.000 1.962 316 c HN 0.546 nan 8.230 nan 0.000 0.499 317 K N 1.039 121.384 120.400 -0.091 0.000 2.031 317 K HA -0.100 4.230 4.320 0.016 0.000 0.205 317 K C 1.538 178.042 176.600 -0.161 0.000 1.049 317 K CA 1.576 57.804 56.287 -0.098 0.000 0.939 317 K CB -0.265 32.195 32.500 -0.066 0.000 0.717 317 K HN 0.589 nan 8.250 nan 0.000 0.438 318 N N -0.652 117.893 118.700 -0.259 0.000 2.331 318 N HA -0.152 4.598 4.740 0.016 0.000 0.180 318 N C 1.530 176.746 175.510 -0.490 0.000 1.019 318 N CA 0.547 53.396 53.050 -0.336 0.000 0.881 318 N CB -0.077 38.194 38.487 -0.360 0.000 0.972 318 N HN 0.184 nan 8.380 nan 0.000 0.435 319 Y N 1.778 121.598 120.300 -0.801 0.000 2.153 319 Y HA 0.076 4.637 4.550 0.017 0.000 0.289 319 Y C 2.265 178.032 175.900 -0.221 0.000 1.127 319 Y CA 1.070 58.803 58.100 -0.612 0.000 1.131 319 Y CB -0.751 37.408 38.460 -0.501 0.000 0.995 319 Y HN 0.009 nan 8.280 nan 0.000 0.505 320 A N 0.381 122.991 122.820 -0.350 0.000 2.070 320 A HA -0.162 4.167 4.320 0.016 0.000 0.220 320 A C 2.061 179.510 177.584 -0.225 0.000 1.159 320 A CA 1.672 53.499 52.037 -0.350 0.000 0.656 320 A CB -0.652 18.230 19.000 -0.197 0.000 0.800 320 A HN 0.664 nan 8.150 nan 0.000 0.453 321 E N -0.832 119.271 120.200 -0.162 0.000 2.106 321 E HA 0.057 4.416 4.350 0.016 0.000 0.192 321 E C 0.592 177.154 176.600 -0.064 0.000 0.984 321 E CA 0.993 57.338 56.400 -0.092 0.000 0.806 321 E CB -0.082 29.579 29.700 -0.065 0.000 0.750 321 E HN 0.543 nan 8.360 nan 0.000 0.458 322 A N 0.763 123.550 122.820 -0.055 0.000 3.200 322 A HA 0.160 4.489 4.320 0.016 0.000 0.274 322 A C 0.497 178.122 177.584 0.068 0.000 1.220 322 A CA -0.562 51.481 52.037 0.009 0.000 0.904 322 A CB 0.329 19.368 19.000 0.065 0.000 1.415 322 A HN -0.059 nan 8.150 nan 0.000 0.630 323 K N 0.391 120.757 120.400 -0.057 0.000 2.023 323 K HA -0.280 4.050 4.320 0.016 0.000 0.227 323 K C 0.897 177.680 176.600 0.305 0.000 1.054 323 K CA 2.346 58.652 56.287 0.032 0.000 0.977 323 K CB -0.182 32.209 32.500 -0.182 0.000 0.733 323 K HN 0.583 nan 8.250 nan 0.000 0.451 324 D N 0.356 120.876 120.400 0.201 0.000 2.172 324 D HA -0.134 4.515 4.640 0.016 0.000 0.196 324 D C 1.929 178.388 176.300 0.264 0.000 0.999 324 D CA 1.079 55.210 54.000 0.218 0.000 0.856 324 D CB -0.143 40.752 40.800 0.158 0.000 0.934 324 D HN 0.051 nan 8.370 nan 0.000 0.453 325 V N 0.208 120.280 119.914 0.263 0.000 2.453 325 V HA -0.165 3.965 4.120 0.016 0.000 0.247 325 V C 2.030 178.298 176.094 0.289 0.000 1.048 325 V CA 0.951 63.427 62.300 0.294 0.000 1.049 325 V CB -0.560 31.411 31.823 0.246 0.000 0.672 325 V HN 0.098 nan 8.190 nan 0.000 0.457 326 F N 0.904 120.969 119.950 0.192 0.000 2.075 326 F HA -0.115 4.421 4.527 0.014 0.000 0.297 326 F C 2.053 178.036 175.800 0.305 0.000 1.113 326 F CA 1.538 59.684 58.000 0.244 0.000 1.218 326 F CB -0.408 38.794 39.000 0.337 0.000 0.984 326 F HN 0.006 nan 8.300 nan 0.000 0.472 327 L N -0.316 121.098 121.223 0.318 0.000 2.079 327 L HA -0.165 4.184 4.340 0.016 0.000 0.210 327 L C 2.712 179.720 176.870 0.230 0.000 1.081 327 L CA 1.346 56.318 54.840 0.220 0.000 0.752 327 L CB -1.486 40.721 42.059 0.247 0.000 0.896 327 L HN 0.335 nan 8.230 nan 0.000 0.433 328 G N -0.849 108.111 108.800 0.267 0.000 2.422 328 G HA2 -0.238 3.732 3.960 0.016 0.000 0.218 328 G HA3 -0.238 3.732 3.960 0.016 0.000 0.218 328 G C 1.640 176.788 174.900 0.412 0.000 1.140 328 G CA 0.364 45.678 45.100 0.357 0.000 0.775 328 G HN 0.203 nan 8.290 nan 0.000 0.545 329 M N -0.812 118.842 119.600 0.090 0.000 2.319 329 M HA 0.161 4.651 4.480 0.016 0.000 0.265 329 M C 2.070 178.434 176.300 0.107 0.000 1.068 329 M CA 0.728 55.940 55.300 -0.145 0.000 1.118 329 M CB -0.071 32.346 32.600 -0.305 0.000 1.395 329 M HN 0.288 nan 8.290 nan 0.000 0.435 330 F N 0.623 120.429 119.950 -0.240 0.000 2.128 330 F HA -0.148 4.387 4.527 0.014 0.000 0.295 330 F C 1.697 177.356 175.800 -0.235 0.000 1.100 330 F CA 1.514 59.161 58.000 -0.589 0.000 1.260 330 F CB -0.271 38.379 39.000 -0.583 0.000 1.009 330 F HN -0.044 nan 8.300 nan 0.000 0.476 331 L N -0.785 120.417 121.223 -0.036 0.000 1.970 331 L HA -0.281 4.069 4.340 0.016 0.000 0.212 331 L C 2.520 179.360 176.870 -0.050 0.000 1.071 331 L CA 2.109 56.888 54.840 -0.101 0.000 0.751 331 L CB -1.228 40.847 42.059 0.027 0.000 0.889 331 L HN 0.298 nan 8.230 nan 0.000 0.432 332 Y N 0.864 121.176 120.300 0.019 0.000 2.139 332 Y HA -0.323 4.236 4.550 0.015 0.000 0.282 332 Y C 2.557 178.461 175.900 0.007 0.000 1.179 332 Y CA 1.867 60.016 58.100 0.082 0.000 1.161 332 Y CB -0.104 38.570 38.460 0.357 0.000 0.970 332 Y HN 0.154 nan 8.280 nan 0.000 0.511 333 E N -0.533 119.623 120.200 -0.075 0.000 2.047 333 E HA -0.207 4.153 4.350 0.016 0.000 0.191 333 E C 2.098 178.510 176.600 -0.313 0.000 0.987 333 E CA 1.468 57.740 56.400 -0.214 0.000 0.799 333 E CB -0.932 28.766 29.700 -0.004 0.000 0.752 333 E HN 0.641 nan 8.360 nan 0.000 0.449 334 Y N 0.925 120.917 120.300 -0.513 0.000 2.200 334 Y HA -0.137 4.423 4.550 0.017 0.000 0.290 334 Y C 2.234 177.943 175.900 -0.319 0.000 1.137 334 Y CA 1.372 59.178 58.100 -0.489 0.000 1.163 334 Y CB -0.478 37.489 38.460 -0.821 0.000 0.988 334 Y HN 0.040 nan 8.280 nan 0.000 0.518 335 A N 1.047 123.797 122.820 -0.115 0.000 1.865 335 A HA -0.245 4.085 4.320 0.016 0.000 0.217 335 A C 2.268 179.732 177.584 -0.200 0.000 1.191 335 A CA 2.137 54.087 52.037 -0.145 0.000 0.623 335 A CB -0.805 18.088 19.000 -0.178 0.000 0.826 335 A HN 0.588 nan 8.150 nan 0.000 0.444 336 R N -0.902 119.429 120.500 -0.282 0.000 2.241 336 R HA -0.005 4.344 4.340 0.016 0.000 0.224 336 R C 1.807 177.929 176.300 -0.297 0.000 1.101 336 R CA 1.500 57.424 56.100 -0.294 0.000 0.995 336 R CB -0.292 29.777 30.300 -0.385 0.000 0.870 336 R HN 0.419 nan 8.270 nan 0.000 0.463 337 R N -0.214 120.080 120.500 -0.344 0.000 2.254 337 R HA 0.131 4.481 4.340 0.016 0.000 0.195 337 R C -0.011 175.848 176.300 -0.735 0.000 0.957 337 R CA 0.388 56.193 56.100 -0.492 0.000 1.024 337 R CB 0.446 30.415 30.300 -0.550 0.000 0.952 337 R HN 0.329 nan 8.270 nan 0.000 0.484 338 H N -0.331 118.508 119.070 -0.385 0.000 2.569 338 H HA 0.185 4.752 4.556 0.019 0.000 0.247 338 H C -2.143 172.979 175.328 -0.343 0.000 1.346 338 H CA -1.863 53.889 56.048 -0.493 0.000 1.502 338 H CB 1.732 30.960 29.762 -0.890 0.000 1.512 338 H HN 0.025 nan 8.280 nan 0.000 0.502 339 P HA -0.043 nan 4.420 nan 0.000 0.245 339 P C 1.064 178.305 177.300 -0.099 0.000 1.206 339 P CA 0.545 63.556 63.100 -0.147 0.000 0.781 339 P CB 0.361 31.971 31.700 -0.148 0.000 0.994 340 D N -2.415 117.937 120.400 -0.081 0.000 2.340 340 D HA -0.077 4.572 4.640 0.016 0.000 0.220 340 D C 0.192 176.601 176.300 0.181 0.000 1.039 340 D CA 0.187 54.193 54.000 0.010 0.000 0.866 340 D CB -0.357 40.450 40.800 0.012 0.000 0.913 340 D HN 0.078 nan 8.370 nan 0.000 0.523 341 Y N 1.657 121.917 120.300 -0.066 0.000 2.432 341 Y HA 0.371 4.933 4.550 0.020 0.000 0.322 341 Y C 1.060 176.866 175.900 -0.157 0.000 1.246 341 Y CA -2.458 55.571 58.100 -0.119 0.000 1.268 341 Y CB 1.405 39.768 38.460 -0.162 0.000 1.276 341 Y HN -0.141 nan 8.280 nan 0.000 0.499 342 S N -0.634 115.046 115.700 -0.033 0.000 2.585 342 S HA 0.350 4.829 4.470 0.016 0.000 0.277 342 S C 0.903 175.393 174.600 -0.183 0.000 1.241 342 S CA -0.780 57.353 58.200 -0.112 0.000 1.041 342 S CB 1.402 64.540 63.200 -0.104 0.000 0.987 342 S HN 0.378 nan 8.310 nan 0.000 0.512 343 V N 2.027 121.773 119.914 -0.281 0.000 2.282 343 V HA -0.230 3.900 4.120 0.016 0.000 0.249 343 V C 2.550 178.456 176.094 -0.312 0.000 1.057 343 V CA 2.326 64.352 62.300 -0.457 0.000 1.032 343 V CB -1.276 29.963 31.823 -0.974 0.000 0.645 343 V HN 0.897 nan 8.190 nan 0.000 0.447 344 V N -1.223 118.594 119.914 -0.161 0.000 2.594 344 V HA -0.193 3.936 4.120 0.016 0.000 0.253 344 V C 2.318 178.311 176.094 -0.170 0.000 1.069 344 V CA 1.893 64.132 62.300 -0.102 0.000 1.082 344 V CB -0.975 30.825 31.823 -0.038 0.000 0.680 344 V HN 0.483 nan 8.190 nan 0.000 0.469 345 L N -0.152 120.941 121.223 -0.217 0.000 2.072 345 L HA 0.032 4.381 4.340 0.016 0.000 0.205 345 L C 2.262 178.911 176.870 -0.368 0.000 1.079 345 L CA 1.683 56.339 54.840 -0.307 0.000 0.752 345 L CB -0.573 41.246 42.059 -0.398 0.000 0.906 345 L HN 0.215 nan 8.230 nan 0.000 0.436 346 L N -1.052 119.978 121.223 -0.323 0.000 2.017 346 L HA -0.244 4.105 4.340 0.016 0.000 0.208 346 L C 2.541 179.206 176.870 -0.341 0.000 1.073 346 L CA 1.462 56.078 54.840 -0.373 0.000 0.745 346 L CB -0.578 41.305 42.059 -0.293 0.000 0.894 346 L HN 0.296 nan 8.230 nan 0.000 0.432 347 L N -0.794 120.282 121.223 -0.245 0.000 2.127 347 L HA -0.226 4.124 4.340 0.016 0.000 0.211 347 L C 2.724 179.505 176.870 -0.148 0.000 1.089 347 L CA 1.127 55.874 54.840 -0.155 0.000 0.757 347 L CB -0.523 41.477 42.059 -0.099 0.000 0.899 347 L HN 0.245 nan 8.230 nan 0.000 0.434 348 R N -0.054 120.327 120.500 -0.199 0.000 2.115 348 R HA -0.075 4.274 4.340 0.016 0.000 0.230 348 R C 2.251 178.407 176.300 -0.240 0.000 1.111 348 R CA 0.971 56.962 56.100 -0.183 0.000 0.976 348 R CB -0.071 30.112 30.300 -0.195 0.000 0.870 348 R HN 0.351 nan 8.270 nan 0.000 0.445 349 L N -0.710 120.262 121.223 -0.418 0.000 2.131 349 L HA -0.009 4.340 4.340 0.016 0.000 0.206 349 L C 2.529 179.242 176.870 -0.262 0.000 1.087 349 L CA 0.867 55.295 54.840 -0.687 0.000 0.767 349 L CB -0.422 40.870 42.059 -1.278 0.000 0.917 349 L HN 0.197 nan 8.230 nan 0.000 0.441 350 A N 0.615 123.384 122.820 -0.084 0.000 1.898 350 A HA -0.227 4.102 4.320 0.016 0.000 0.216 350 A C 2.315 179.943 177.584 0.074 0.000 1.181 350 A CA 1.871 53.991 52.037 0.139 0.000 0.620 350 A CB -0.330 18.751 19.000 0.134 0.000 0.819 350 A HN 0.264 nan 8.150 nan 0.000 0.442 351 K N -0.495 119.916 120.400 0.020 0.000 2.097 351 K HA -0.073 4.256 4.320 0.016 0.000 0.205 351 K C 1.858 178.485 176.600 0.045 0.000 1.050 351 K CA 2.116 58.421 56.287 0.029 0.000 0.938 351 K CB -0.641 31.866 32.500 0.011 0.000 0.718 351 K HN 0.344 nan 8.250 nan 0.000 0.442 352 T N -0.055 114.539 114.554 0.065 0.000 2.777 352 T HA -0.127 4.232 4.350 0.016 0.000 0.266 352 T C 1.234 176.058 174.700 0.206 0.000 1.040 352 T CA 1.304 63.490 62.100 0.144 0.000 1.141 352 T CB -0.502 68.498 68.868 0.219 0.000 0.868 352 T HN 0.279 nan 8.240 nan 0.000 0.444 353 Y N 2.120 122.452 120.300 0.053 0.000 2.145 353 Y HA -0.116 4.441 4.550 0.012 0.000 0.286 353 Y C 2.498 178.293 175.900 -0.176 0.000 1.145 353 Y CA 1.589 59.629 58.100 -0.100 0.000 1.148 353 Y CB -0.519 37.632 38.460 -0.515 0.000 0.981 353 Y HN 0.312 nan 8.280 nan 0.000 0.507 354 E N -1.225 118.883 120.200 -0.153 0.000 2.118 354 E HA -0.201 4.158 4.350 0.016 0.000 0.195 354 E C 1.792 178.324 176.600 -0.113 0.000 0.992 354 E CA 1.862 58.150 56.400 -0.187 0.000 0.804 354 E CB -0.124 29.568 29.700 -0.013 0.000 0.741 354 E HN 0.474 nan 8.360 nan 0.000 0.458 355 T N -0.211 114.320 114.554 -0.037 0.000 2.812 355 T HA -0.081 4.278 4.350 0.016 0.000 0.264 355 T C 1.831 176.521 174.700 -0.017 0.000 1.042 355 T CA 1.474 63.574 62.100 -0.001 0.000 1.140 355 T CB -0.295 68.592 68.868 0.032 0.000 0.870 355 T HN 0.198 nan 8.240 nan 0.000 0.445 356 T N 2.395 116.929 114.554 -0.033 0.000 2.668 356 T HA 0.077 4.436 4.350 0.016 0.000 0.262 356 T C 1.981 176.633 174.700 -0.080 0.000 1.045 356 T CA 0.744 62.833 62.100 -0.019 0.000 1.152 356 T CB -0.492 68.394 68.868 0.029 0.000 0.864 356 T HN 0.195 nan 8.240 nan 0.000 0.419 357 L N 1.079 122.132 121.223 -0.282 0.000 2.089 357 L HA -0.152 4.198 4.340 0.016 0.000 0.213 357 L C 2.571 179.393 176.870 -0.081 0.000 1.079 357 L CA 1.373 55.989 54.840 -0.373 0.000 0.758 357 L CB -0.503 40.974 42.059 -0.970 0.000 0.891 357 L HN 0.295 nan 8.230 nan 0.000 0.433 358 E N -0.396 119.797 120.200 -0.013 0.000 2.511 358 E HA -0.163 4.196 4.350 0.016 0.000 0.196 358 E C 1.767 178.405 176.600 0.063 0.000 1.066 358 E CA 0.560 57.019 56.400 0.098 0.000 0.871 358 E CB 0.278 30.036 29.700 0.095 0.000 0.863 358 E HN 0.509 nan 8.360 nan 0.000 0.520 359 K N -0.538 119.888 120.400 0.043 0.000 2.367 359 K HA 0.045 4.374 4.320 0.016 0.000 0.198 359 K C 1.957 178.589 176.600 0.052 0.000 1.132 359 K CA 0.395 56.708 56.287 0.043 0.000 0.941 359 K CB 0.071 32.592 32.500 0.035 0.000 1.052 359 K HN 0.005 nan 8.250 nan 0.000 0.507 360 c N 0.894 119.539 118.600 0.074 0.000 2.486 360 c HA 0.035 4.614 4.570 0.016 0.000 0.279 360 c C 2.550 176.706 174.090 0.110 0.000 1.302 360 c CA 0.106 56.497 56.329 0.103 0.000 1.720 360 c CB -0.791 41.850 42.510 0.218 0.000 2.030 360 c HN 0.629 nan 8.230 nan 0.000 0.490 361 c N 1.344 120.020 118.600 0.126 0.000 2.413 361 c HA 0.037 4.616 4.570 0.016 0.000 0.292 361 c C 2.458 176.591 174.090 0.073 0.000 1.435 361 c CA 1.277 57.677 56.329 0.119 0.000 1.791 361 c CB -1.793 40.806 42.510 0.148 0.000 1.784 361 c HN 0.710 nan 8.230 nan 0.000 0.548 362 A N -0.822 122.033 122.820 0.058 0.000 2.465 362 A HA 0.684 5.013 4.320 0.016 0.000 0.255 362 A C 0.791 178.389 177.584 0.024 0.000 1.274 362 A CA 0.563 52.621 52.037 0.035 0.000 0.920 362 A CB -0.105 18.915 19.000 0.033 0.000 1.033 362 A HN 0.450 nan 8.150 nan 0.000 0.516 363 A N -1.334 121.500 122.820 0.023 0.000 2.288 363 A HA 0.753 5.083 4.320 0.016 0.000 0.328 363 A C 1.449 179.033 177.584 -0.001 0.000 1.123 363 A CA 0.117 52.159 52.037 0.008 0.000 0.861 363 A CB 0.342 19.344 19.000 0.003 0.000 1.272 363 A HN 0.984 nan 8.150 nan 0.000 0.490 364 A N -0.242 122.573 122.820 -0.009 0.000 1.859 364 A HA -0.076 4.253 4.320 0.016 0.000 0.217 364 A C 0.865 178.435 177.584 -0.023 0.000 1.198 364 A CA 2.178 54.206 52.037 -0.014 0.000 0.629 364 A CB -0.364 18.626 19.000 -0.016 0.000 0.830 364 A HN 0.688 nan 8.150 nan 0.000 0.446 365 D N -1.404 118.973 120.400 -0.038 0.000 2.485 365 D HA 0.382 5.031 4.640 0.016 0.000 0.256 365 D C -1.924 174.316 176.300 -0.099 0.000 1.141 365 D CA -2.037 51.925 54.000 -0.063 0.000 0.942 365 D CB 0.999 41.758 40.800 -0.069 0.000 1.003 365 D HN 0.028 nan 8.370 nan 0.000 0.507 366 P HA -0.188 nan 4.420 nan 0.000 0.212 366 P C 1.563 178.592 177.300 -0.450 0.000 1.178 366 P CA 2.408 65.447 63.100 -0.101 0.000 0.915 366 P CB -0.008 31.724 31.700 0.053 0.000 0.788 367 H N -0.068 118.690 119.070 -0.521 0.000 2.437 367 H HA -0.187 4.378 4.556 0.016 0.000 0.296 367 H C 1.736 176.647 175.328 -0.694 0.000 1.121 367 H CA 2.040 57.569 56.048 -0.865 0.000 1.255 367 H CB -1.415 28.155 29.762 -0.320 0.000 1.366 367 H HN 0.200 nan 8.280 nan 0.000 0.512 368 E N -0.949 119.019 120.200 -0.387 0.000 2.371 368 E HA -0.021 4.338 4.350 0.016 0.000 0.194 368 E C 2.457 178.926 176.600 -0.217 0.000 1.012 368 E CA 0.790 57.044 56.400 -0.244 0.000 0.860 368 E CB -0.824 28.790 29.700 -0.143 0.000 0.811 368 E HN 0.798 nan 8.360 nan 0.000 0.502 369 c N 0.843 119.290 118.600 -0.255 0.000 2.522 369 c HA -0.073 4.506 4.570 0.016 0.000 0.280 369 c C 2.459 176.518 174.090 -0.052 0.000 1.303 369 c CA 0.698 56.955 56.329 -0.121 0.000 1.709 369 c CB -0.985 41.490 42.510 -0.057 0.000 2.071 369 c HN 0.514 nan 8.230 nan 0.000 0.492 370 Y N 1.021 121.311 120.300 -0.017 0.000 2.466 370 Y HA 0.568 5.125 4.550 0.012 0.000 0.272 370 Y C 1.955 177.839 175.900 -0.028 0.000 1.169 370 Y CA 0.081 58.172 58.100 -0.015 0.000 1.285 370 Y CB -1.501 36.953 38.460 -0.010 0.000 1.078 370 Y HN 0.218 nan 8.280 nan 0.000 0.523 371 A N 2.282 125.082 122.820 -0.034 0.000 1.884 371 A HA -0.307 4.022 4.320 0.016 0.000 0.219 371 A C 2.016 179.607 177.584 0.013 0.000 1.197 371 A CA 2.449 54.481 52.037 -0.008 0.000 0.637 371 A CB -0.627 18.316 19.000 -0.095 0.000 0.827 371 A HN 0.453 nan 8.150 nan 0.000 0.450 372 K N 0.366 120.770 120.400 0.007 0.000 2.569 372 K HA 0.267 4.597 4.320 0.016 0.000 0.193 372 K C 0.932 177.531 176.600 -0.002 0.000 1.026 372 K CA 0.804 57.093 56.287 0.003 0.000 1.093 372 K CB -1.292 31.212 32.500 0.006 0.000 0.849 372 K HN 0.166 nan 8.250 nan 0.000 0.509 373 V N 0.542 120.458 119.914 0.002 0.000 2.255 373 V HA -0.228 3.902 4.120 0.016 0.000 0.247 373 V C 1.470 177.404 176.094 -0.268 0.000 1.051 373 V CA 1.702 63.965 62.300 -0.060 0.000 1.018 373 V CB -0.579 31.269 31.823 0.042 0.000 0.641 373 V HN 0.314 nan 8.190 nan 0.000 0.445 374 F N 0.511 120.167 119.950 -0.490 0.000 2.346 374 F HA -0.163 4.371 4.527 0.012 0.000 0.301 374 F C 2.132 177.739 175.800 -0.322 0.000 1.070 374 F CA 1.280 58.907 58.000 -0.621 0.000 1.407 374 F CB -1.071 37.826 39.000 -0.170 0.000 1.072 374 F HN 0.323 nan 8.300 nan 0.000 0.543 375 D N -0.275 120.121 120.400 -0.007 0.000 2.149 375 D HA -0.117 4.532 4.640 0.016 0.000 0.201 375 D C 2.042 178.370 176.300 0.047 0.000 0.972 375 D CA 0.901 54.925 54.000 0.039 0.000 0.835 375 D CB -0.220 40.600 40.800 0.034 0.000 0.966 375 D HN 0.318 nan 8.370 nan 0.000 0.476 376 E N -0.784 119.422 120.200 0.011 0.000 2.418 376 E HA -0.091 4.269 4.350 0.016 0.000 0.197 376 E C 1.286 178.050 176.600 0.273 0.000 1.026 376 E CA 0.175 56.640 56.400 0.108 0.000 0.862 376 E CB 0.086 29.853 29.700 0.112 0.000 0.799 376 E HN 0.214 nan 8.360 nan 0.000 0.518 377 F N 0.688 120.679 119.950 0.069 0.000 2.187 377 F HA -0.118 4.413 4.527 0.007 0.000 0.295 377 F C 2.423 178.210 175.800 -0.021 0.000 1.091 377 F CA 0.523 58.525 58.000 0.002 0.000 1.308 377 F CB -1.071 37.923 39.000 -0.010 0.000 1.030 377 F HN -0.168 nan 8.300 nan 0.000 0.487 378 K N 0.403 120.927 120.400 0.208 0.000 2.049 378 K HA -0.221 4.108 4.320 0.016 0.000 0.219 378 K C -0.253 176.381 176.600 0.056 0.000 1.056 378 K CA 2.244 58.597 56.287 0.110 0.000 0.946 378 K CB -1.847 30.708 32.500 0.092 0.000 0.723 378 K HN 0.204 nan 8.250 nan 0.000 0.453 379 P HA -0.121 nan 4.420 nan 0.000 0.215 379 P C 1.522 178.816 177.300 -0.010 0.000 1.157 379 P CA 1.446 64.561 63.100 0.025 0.000 0.874 379 P CB -0.159 31.563 31.700 0.037 0.000 0.790 380 L N -1.526 119.686 121.223 -0.018 0.000 2.131 380 L HA -0.138 4.211 4.340 0.016 0.000 0.210 380 L C 2.321 179.090 176.870 -0.168 0.000 1.092 380 L CA 1.179 55.966 54.840 -0.089 0.000 0.759 380 L CB -0.854 41.135 42.059 -0.117 0.000 0.903 380 L HN -0.100 nan 8.230 nan 0.000 0.435 381 V N -0.360 119.451 119.914 -0.171 0.000 2.446 381 V HA -0.162 3.968 4.120 0.016 0.000 0.244 381 V C 2.272 178.266 176.094 -0.168 0.000 1.039 381 V CA 1.431 63.570 62.300 -0.269 0.000 1.045 381 V CB -0.320 31.366 31.823 -0.229 0.000 0.681 381 V HN 0.461 nan 8.190 nan 0.000 0.459 382 E N 0.533 120.686 120.200 -0.079 0.000 2.208 382 E HA -0.252 4.107 4.350 0.016 0.000 0.193 382 E C 2.024 178.599 176.600 -0.042 0.000 0.988 382 E CA 1.179 57.554 56.400 -0.041 0.000 0.828 382 E CB -0.093 29.602 29.700 -0.009 0.000 0.763 382 E HN 0.772 nan 8.360 nan 0.000 0.478 383 E N 2.651 122.819 120.200 -0.053 0.000 2.033 383 E HA -0.172 4.188 4.350 0.016 0.000 0.199 383 E C -0.557 176.019 176.600 -0.041 0.000 1.011 383 E CA 1.872 58.248 56.400 -0.040 0.000 0.815 383 E CB -1.157 28.516 29.700 -0.045 0.000 0.755 383 E HN 0.165 nan 8.360 nan 0.000 0.451 384 P HA -0.064 nan 4.420 nan 0.000 0.227 384 P C 1.158 178.433 177.300 -0.042 0.000 1.161 384 P CA 1.190 64.255 63.100 -0.058 0.000 0.788 384 P CB 0.075 31.716 31.700 -0.098 0.000 0.822 385 Q N -0.108 119.661 119.800 -0.051 0.000 2.016 385 Q HA -0.131 4.218 4.340 0.016 0.000 0.200 385 Q C 2.055 178.054 176.000 -0.002 0.000 0.978 385 Q CA 1.334 57.123 55.803 -0.024 0.000 0.833 385 Q CB -0.490 28.234 28.738 -0.023 0.000 0.895 385 Q HN 0.254 nan 8.270 nan 0.000 0.427 386 N N 0.951 119.650 118.700 -0.001 0.000 2.043 386 N HA -0.142 4.607 4.740 0.016 0.000 0.193 386 N C 1.901 177.424 175.510 0.021 0.000 1.037 386 N CA 1.070 54.127 53.050 0.012 0.000 0.851 386 N CB -0.497 37.997 38.487 0.012 0.000 1.027 386 N HN 0.181 nan 8.380 nan 0.000 0.422 387 L N 0.533 121.769 121.223 0.022 0.000 2.081 387 L HA -0.159 4.191 4.340 0.016 0.000 0.212 387 L C 2.117 179.014 176.870 0.047 0.000 1.080 387 L CA 1.042 55.905 54.840 0.039 0.000 0.754 387 L CB -0.449 41.633 42.059 0.039 0.000 0.893 387 L HN 0.178 nan 8.230 nan 0.000 0.433 388 I N -0.455 120.133 120.570 0.029 0.000 2.286 388 I HA -0.246 3.933 4.170 0.016 0.000 0.245 388 I C 2.769 178.901 176.117 0.025 0.000 1.104 388 I CA 0.954 62.270 61.300 0.027 0.000 1.397 388 I CB -0.281 37.726 38.000 0.013 0.000 1.072 388 I HN 0.274 nan 8.210 nan 0.000 0.417 389 K N 1.592 122.007 120.400 0.024 0.000 1.973 389 K HA -0.272 4.057 4.320 0.016 0.000 0.212 389 K C 2.158 178.777 176.600 0.031 0.000 1.047 389 K CA 2.224 58.525 56.287 0.023 0.000 0.937 389 K CB -0.427 32.087 32.500 0.022 0.000 0.721 389 K HN 0.450 nan 8.250 nan 0.000 0.440 390 Q N 0.247 120.070 119.800 0.039 0.000 2.152 390 Q HA -0.196 4.153 4.340 0.016 0.000 0.206 390 Q C 1.608 177.652 176.000 0.073 0.000 0.985 390 Q CA 1.874 57.707 55.803 0.050 0.000 0.863 390 Q CB -0.427 28.342 28.738 0.052 0.000 0.904 390 Q HN 0.389 nan 8.270 nan 0.000 0.422 391 N N -0.356 118.397 118.700 0.088 0.000 2.331 391 N HA -0.049 4.701 4.740 0.016 0.000 0.180 391 N C 1.542 177.067 175.510 0.025 0.000 1.019 391 N CA 1.143 54.279 53.050 0.143 0.000 0.881 391 N CB 0.029 38.633 38.487 0.194 0.000 0.972 391 N HN 0.356 nan 8.380 nan 0.000 0.435 392 c N 0.746 119.340 118.600 -0.010 0.000 2.485 392 c HA 0.080 4.659 4.570 0.016 0.000 0.278 392 c C 2.494 176.590 174.090 0.010 0.000 1.356 392 c CA 0.060 56.359 56.329 -0.050 0.000 1.747 392 c CB -0.545 41.940 42.510 -0.041 0.000 2.001 392 c HN 0.460 nan 8.230 nan 0.000 0.501 393 E N 0.482 120.691 120.200 0.015 0.000 2.077 393 E HA -0.242 4.118 4.350 0.016 0.000 0.193 393 E C 1.972 178.574 176.600 0.003 0.000 0.989 393 E CA 1.097 57.506 56.400 0.016 0.000 0.800 393 E CB -0.212 29.500 29.700 0.020 0.000 0.746 393 E HN 0.468 nan 8.360 nan 0.000 0.452 394 L N 0.369 121.602 121.223 0.016 0.000 2.046 394 L HA -0.141 4.208 4.340 0.016 0.000 0.208 394 L C 2.062 178.887 176.870 -0.074 0.000 1.077 394 L CA 1.488 56.347 54.840 0.032 0.000 0.747 394 L CB -0.487 41.666 42.059 0.156 0.000 0.896 394 L HN 0.118 nan 8.230 nan 0.000 0.432 395 F N -0.059 119.605 119.950 -0.478 0.000 2.333 395 F HA -0.120 4.416 4.527 0.015 0.000 0.300 395 F C 2.109 177.713 175.800 -0.326 0.000 1.083 395 F CA 1.256 58.789 58.000 -0.779 0.000 1.395 395 F CB -0.045 38.259 39.000 -1.160 0.000 1.056 395 F HN 0.189 nan 8.300 nan 0.000 0.529 396 E N 0.025 120.122 120.200 -0.173 0.000 2.170 396 E HA -0.119 4.241 4.350 0.016 0.000 0.191 396 E C 2.024 178.518 176.600 -0.176 0.000 0.981 396 E CA 0.645 56.946 56.400 -0.164 0.000 0.830 396 E CB -0.256 29.433 29.700 -0.019 0.000 0.775 396 E HN 0.596 nan 8.360 nan 0.000 0.470 397 Q N 0.376 120.100 119.800 -0.126 0.000 1.969 397 Q HA 0.005 4.354 4.340 0.016 0.000 0.198 397 Q C 0.631 176.569 176.000 -0.104 0.000 0.978 397 Q CA 0.805 56.558 55.803 -0.082 0.000 0.830 397 Q CB 0.033 28.749 28.738 -0.037 0.000 0.896 397 Q HN 0.133 nan 8.270 nan 0.000 0.431 398 L N 0.100 121.260 121.223 -0.105 0.000 2.334 398 L HA 0.435 4.784 4.340 0.016 0.000 0.277 398 L C 0.822 177.567 176.870 -0.209 0.000 1.075 398 L CA -0.819 53.972 54.840 -0.082 0.000 0.804 398 L CB 0.533 42.598 42.059 0.009 0.000 1.174 398 L HN 0.062 nan 8.230 nan 0.000 0.438 399 G N 0.411 109.118 108.800 -0.155 0.000 2.527 399 G HA2 0.003 3.972 3.960 0.016 0.000 0.279 399 G HA3 0.003 3.972 3.960 0.016 0.000 0.279 399 G C 0.585 175.347 174.900 -0.229 0.000 1.374 399 G CA -0.064 44.888 45.100 -0.248 0.000 1.053 399 G HN 0.880 nan 8.290 nan 0.000 0.539 400 E N -1.442 118.691 120.200 -0.112 0.000 2.031 400 E HA -0.218 4.142 4.350 0.016 0.000 0.193 400 E C 2.057 178.816 176.600 0.266 0.000 0.994 400 E CA 1.272 57.791 56.400 0.198 0.000 0.800 400 E CB -0.302 29.570 29.700 0.287 0.000 0.752 400 E HN 0.531 nan 8.360 nan 0.000 0.447 401 Y N 1.459 121.817 120.300 0.096 0.000 2.128 401 Y HA -0.217 4.343 4.550 0.017 0.000 0.284 401 Y C 1.967 177.913 175.900 0.077 0.000 1.154 401 Y CA 2.108 60.257 58.100 0.081 0.000 1.149 401 Y CB -0.069 38.423 38.460 0.053 0.000 0.976 401 Y HN -0.091 nan 8.280 nan 0.000 0.505 402 K N -1.006 119.367 120.400 -0.045 0.000 2.283 402 K HA -0.119 4.210 4.320 0.016 0.000 0.202 402 K C 1.832 178.408 176.600 -0.040 0.000 1.048 402 K CA 1.064 57.269 56.287 -0.137 0.000 0.948 402 K CB -0.336 32.172 32.500 0.014 0.000 0.742 402 K HN 0.338 nan 8.250 nan 0.000 0.458 403 F N 2.213 122.104 119.950 -0.099 0.000 2.118 403 F HA -0.110 4.425 4.527 0.014 0.000 0.293 403 F C 1.954 177.733 175.800 -0.035 0.000 1.102 403 F CA 1.347 59.331 58.000 -0.027 0.000 1.247 403 F CB -0.254 38.804 39.000 0.097 0.000 1.017 403 F HN -0.050 nan 8.300 nan 0.000 0.475 404 Q N 0.039 119.788 119.800 -0.085 0.000 2.197 404 Q HA -0.243 4.107 4.340 0.016 0.000 0.207 404 Q C 1.736 177.588 176.000 -0.246 0.000 0.984 404 Q CA 1.624 57.320 55.803 -0.178 0.000 0.869 404 Q CB -0.428 28.284 28.738 -0.044 0.000 0.906 404 Q HN 0.413 nan 8.270 nan 0.000 0.426 405 N N 0.377 118.905 118.700 -0.286 0.000 2.216 405 N HA -0.065 4.684 4.740 0.016 0.000 0.183 405 N C 1.574 176.946 175.510 -0.230 0.000 1.017 405 N CA 1.230 54.116 53.050 -0.274 0.000 0.861 405 N CB -0.327 37.957 38.487 -0.339 0.000 0.986 405 N HN 0.253 nan 8.380 nan 0.000 0.428 406 A N 1.127 123.803 122.820 -0.240 0.000 1.902 406 A HA -0.057 4.272 4.320 0.016 0.000 0.217 406 A C 2.285 179.666 177.584 -0.339 0.000 1.181 406 A CA 0.937 52.836 52.037 -0.230 0.000 0.623 406 A CB -0.708 18.196 19.000 -0.161 0.000 0.818 406 A HN 0.208 nan 8.150 nan 0.000 0.443 407 L N -1.180 119.764 121.223 -0.464 0.000 2.027 407 L HA -0.162 4.187 4.340 0.016 0.000 0.206 407 L C 2.510 179.129 176.870 -0.417 0.000 1.074 407 L CA 0.752 55.256 54.840 -0.560 0.000 0.745 407 L CB -0.706 41.094 42.059 -0.433 0.000 0.898 407 L HN 0.308 nan 8.230 nan 0.000 0.433 408 L N -0.010 121.076 121.223 -0.228 0.000 2.010 408 L HA -0.261 4.088 4.340 0.016 0.000 0.219 408 L C 2.533 179.326 176.870 -0.127 0.000 1.077 408 L CA 1.812 56.580 54.840 -0.120 0.000 0.773 408 L CB -0.855 41.139 42.059 -0.107 0.000 0.892 408 L HN -0.016 nan 8.230 nan 0.000 0.436 409 V N -0.774 119.044 119.914 -0.159 0.000 2.343 409 V HA -0.299 3.830 4.120 0.016 0.000 0.247 409 V C 2.746 178.747 176.094 -0.156 0.000 1.051 409 V CA 1.959 64.182 62.300 -0.129 0.000 1.036 409 V CB -0.561 31.191 31.823 -0.117 0.000 0.654 409 V HN 0.462 nan 8.190 nan 0.000 0.451 410 R N -1.119 119.217 120.500 -0.272 0.000 2.070 410 R HA -0.188 4.162 4.340 0.016 0.000 0.233 410 R C 2.366 178.520 176.300 -0.243 0.000 1.137 410 R CA 2.148 58.045 56.100 -0.337 0.000 0.945 410 R CB -0.317 29.622 30.300 -0.602 0.000 0.845 410 R HN 0.533 nan 8.270 nan 0.000 0.430 411 Y N 0.141 120.402 120.300 -0.065 0.000 2.286 411 Y HA -0.093 4.465 4.550 0.013 0.000 0.293 411 Y C 2.664 178.528 175.900 -0.060 0.000 1.124 411 Y CA 1.404 59.472 58.100 -0.054 0.000 1.178 411 Y CB -1.035 37.388 38.460 -0.063 0.000 1.010 411 Y HN 0.262 nan 8.280 nan 0.000 0.536 412 T N -1.881 112.705 114.554 0.052 0.000 2.833 412 T HA -0.193 4.166 4.350 0.016 0.000 0.269 412 T C 1.750 176.403 174.700 -0.077 0.000 1.054 412 T CA 1.481 63.569 62.100 -0.020 0.000 1.135 412 T CB -0.227 68.618 68.868 -0.039 0.000 0.869 412 T HN 0.229 nan 8.240 nan 0.000 0.466 413 K N 0.525 120.892 120.400 -0.055 0.000 2.296 413 K HA 0.091 4.420 4.320 0.016 0.000 0.200 413 K C 2.441 179.020 176.600 -0.035 0.000 1.048 413 K CA 0.539 56.788 56.287 -0.063 0.000 0.966 413 K CB 0.139 32.613 32.500 -0.043 0.000 0.754 413 K HN 0.313 nan 8.250 nan 0.000 0.466 414 K N 0.122 120.531 120.400 0.016 0.000 2.099 414 K HA 0.026 4.356 4.320 0.016 0.000 0.203 414 K C 0.785 177.402 176.600 0.028 0.000 1.047 414 K CA 0.892 57.209 56.287 0.050 0.000 0.963 414 K CB 0.502 33.080 32.500 0.130 0.000 0.759 414 K HN -0.050 nan 8.250 nan 0.000 0.451 415 V N 1.210 121.136 119.914 0.019 0.000 2.320 415 V HA 0.188 4.317 4.120 0.016 0.000 0.257 415 V C -2.451 173.604 176.094 -0.065 0.000 0.996 415 V CA -1.386 60.917 62.300 0.006 0.000 0.928 415 V CB 1.054 32.913 31.823 0.059 0.000 1.169 415 V HN -0.086 nan 8.190 nan 0.000 0.475 416 P HA -0.071 nan 4.420 nan 0.000 0.225 416 P C 1.273 178.446 177.300 -0.212 0.000 1.148 416 P CA 0.984 63.830 63.100 -0.424 0.000 0.779 416 P CB 0.239 31.180 31.700 -1.265 0.000 0.780 417 Q N -0.970 118.799 119.800 -0.051 0.000 2.515 417 Q HA 0.022 4.371 4.340 0.016 0.000 0.212 417 Q C 0.407 176.431 176.000 0.039 0.000 0.970 417 Q CA 0.391 56.231 55.803 0.062 0.000 0.941 417 Q CB -0.578 28.218 28.738 0.095 0.000 0.998 417 Q HN 0.132 nan 8.270 nan 0.000 0.518 418 V N 0.526 120.449 119.914 0.016 0.000 2.649 418 V HA 0.106 4.235 4.120 0.016 0.000 0.292 418 V C 0.520 176.619 176.094 0.008 0.000 1.055 418 V CA -0.724 61.589 62.300 0.020 0.000 1.023 418 V CB 1.574 33.414 31.823 0.028 0.000 0.992 418 V HN 0.106 nan 8.190 nan 0.000 0.480 419 S N 2.968 118.671 115.700 0.005 0.000 2.558 419 S HA -0.036 4.444 4.470 0.016 0.000 0.293 419 S C 1.472 176.068 174.600 -0.005 0.000 1.292 419 S CA 0.351 58.550 58.200 -0.003 0.000 1.063 419 S CB 0.614 63.809 63.200 -0.007 0.000 0.831 419 S HN 0.909 nan 8.310 nan 0.000 0.499 420 T N 6.850 121.397 114.554 -0.011 0.000 2.708 420 T HA -0.028 4.331 4.350 0.016 0.000 0.266 420 T C -0.988 173.706 174.700 -0.010 0.000 1.037 420 T CA 1.529 63.621 62.100 -0.013 0.000 1.146 420 T CB -1.161 67.692 68.868 -0.026 0.000 0.865 420 T HN 0.591 nan 8.240 nan 0.000 0.435 421 P HA -0.130 nan 4.420 nan 0.000 0.216 421 P C 1.883 179.182 177.300 -0.002 0.000 1.150 421 P CA 1.570 64.665 63.100 -0.008 0.000 0.843 421 P CB -0.404 31.289 31.700 -0.011 0.000 0.787 422 T N -3.415 111.138 114.554 -0.003 0.000 2.942 422 T HA -0.024 4.335 4.350 0.016 0.000 0.265 422 T C 1.879 176.577 174.700 -0.003 0.000 1.062 422 T CA 0.657 62.756 62.100 -0.002 0.000 1.139 422 T CB -1.221 67.647 68.868 -0.001 0.000 0.883 422 T HN -0.001 nan 8.240 nan 0.000 0.468 423 L N 0.727 121.950 121.223 0.001 0.000 2.131 423 L HA -0.017 4.333 4.340 0.016 0.000 0.210 423 L C 2.861 179.738 176.870 0.012 0.000 1.092 423 L CA 0.764 55.609 54.840 0.008 0.000 0.759 423 L CB -0.351 41.714 42.059 0.011 0.000 0.903 423 L HN 0.198 nan 8.230 nan 0.000 0.435 424 V N -0.453 119.465 119.914 0.008 0.000 2.379 424 V HA -0.259 3.870 4.120 0.016 0.000 0.245 424 V C 2.394 178.497 176.094 0.015 0.000 1.044 424 V CA 1.822 64.130 62.300 0.013 0.000 1.036 424 V CB -0.334 31.499 31.823 0.017 0.000 0.664 424 V HN 0.456 nan 8.190 nan 0.000 0.453 425 E N 0.613 120.819 120.200 0.011 0.000 2.085 425 E HA -0.207 4.153 4.350 0.016 0.000 0.194 425 E C 1.959 178.561 176.600 0.003 0.000 0.994 425 E CA 1.980 58.386 56.400 0.011 0.000 0.801 425 E CB -0.190 29.514 29.700 0.006 0.000 0.743 425 E HN 0.415 nan 8.360 nan 0.000 0.453 426 V N 0.313 120.220 119.914 -0.011 0.000 2.515 426 V HA -0.171 3.958 4.120 0.016 0.000 0.250 426 V C 2.238 178.327 176.094 -0.008 0.000 1.058 426 V CA 1.733 64.013 62.300 -0.034 0.000 1.064 426 V CB -0.388 31.386 31.823 -0.081 0.000 0.675 426 V HN 0.216 nan 8.190 nan 0.000 0.461 427 S N -0.123 115.588 115.700 0.018 0.000 2.428 427 S HA -0.047 4.432 4.470 0.016 0.000 0.230 427 S C 2.059 176.662 174.600 0.006 0.000 1.014 427 S CA 0.902 59.115 58.200 0.020 0.000 0.957 427 S CB -0.184 63.016 63.200 0.000 0.000 0.784 427 S HN 0.596 nan 8.310 nan 0.000 0.499 428 R N 1.426 121.939 120.500 0.022 0.000 2.100 428 R HA 0.163 4.512 4.340 0.016 0.000 0.220 428 R C 1.594 177.921 176.300 0.045 0.000 1.091 428 R CA 0.785 56.913 56.100 0.045 0.000 0.986 428 R CB -0.317 30.015 30.300 0.053 0.000 0.888 428 R HN 0.319 nan 8.270 nan 0.000 0.444 429 N N 1.239 119.953 118.700 0.025 0.000 2.171 429 N HA -0.067 4.683 4.740 0.016 0.000 0.184 429 N C 1.969 177.486 175.510 0.012 0.000 1.021 429 N CA 0.950 54.008 53.050 0.015 0.000 0.854 429 N CB -0.141 38.349 38.487 0.005 0.000 0.994 429 N HN 0.157 nan 8.380 nan 0.000 0.426 430 L N 0.450 121.682 121.223 0.016 0.000 2.083 430 L HA -0.070 4.279 4.340 0.016 0.000 0.209 430 L C 2.366 179.292 176.870 0.093 0.000 1.083 430 L CA 1.261 56.122 54.840 0.035 0.000 0.752 430 L CB -0.862 41.222 42.059 0.043 0.000 0.899 430 L HN 0.220 nan 8.230 nan 0.000 0.433 431 G N -0.068 108.795 108.800 0.105 0.000 2.422 431 G HA2 -0.226 3.744 3.960 0.016 0.000 0.218 431 G HA3 -0.226 3.744 3.960 0.016 0.000 0.218 431 G C 1.693 176.726 174.900 0.221 0.000 1.146 431 G CA 0.400 45.663 45.100 0.270 0.000 0.769 431 G HN 0.316 nan 8.290 nan 0.000 0.547 432 K N 0.038 120.489 120.400 0.085 0.000 2.097 432 K HA 0.008 4.337 4.320 0.016 0.000 0.205 432 K C 2.531 179.046 176.600 -0.143 0.000 1.050 432 K CA 0.929 57.212 56.287 -0.007 0.000 0.938 432 K CB -0.270 32.208 32.500 -0.037 0.000 0.718 432 K HN 0.211 nan 8.250 nan 0.000 0.442 433 V N 1.043 120.870 119.914 -0.146 0.000 2.392 433 V HA -0.198 3.932 4.120 0.016 0.000 0.249 433 V C 2.334 178.299 176.094 -0.214 0.000 1.059 433 V CA 2.196 64.354 62.300 -0.236 0.000 1.051 433 V CB -0.894 30.885 31.823 -0.074 0.000 0.658 433 V HN 0.502 nan 8.190 nan 0.000 0.455 434 G N -1.554 107.138 108.800 -0.180 0.000 2.448 434 G HA2 -0.182 3.787 3.960 0.016 0.000 0.218 434 G HA3 -0.182 3.787 3.960 0.016 0.000 0.218 434 G C 1.861 176.154 174.900 -1.011 0.000 1.135 434 G CA 1.019 45.820 45.100 -0.498 0.000 0.784 434 G HN 0.467 nan 8.290 nan 0.000 0.543 435 S N -0.198 115.122 115.700 -0.634 0.000 2.345 435 S HA 0.001 4.480 4.470 0.016 0.000 0.219 435 S C 2.355 176.808 174.600 -0.245 0.000 1.031 435 S CA 1.381 59.349 58.200 -0.387 0.000 0.984 435 S CB -0.079 63.128 63.200 0.012 0.000 0.874 435 S HN 0.238 nan 8.310 nan 0.000 0.451 436 K N 0.647 120.912 120.400 -0.225 0.000 2.025 436 K HA 0.042 4.371 4.320 0.016 0.000 0.207 436 K C 2.170 178.748 176.600 -0.036 0.000 1.049 436 K CA 1.489 57.683 56.287 -0.155 0.000 0.933 436 K CB -0.626 31.681 32.500 -0.321 0.000 0.714 436 K HN 0.393 nan 8.250 nan 0.000 0.438 437 c N -0.819 117.742 118.600 -0.065 0.000 2.475 437 c HA 0.007 4.587 4.570 0.016 0.000 0.279 437 c C 2.520 176.646 174.090 0.059 0.000 1.322 437 c CA 0.155 56.548 56.329 0.108 0.000 1.734 437 c CB -0.736 41.802 42.510 0.046 0.000 2.005 437 c HN 0.541 nan 8.230 nan 0.000 0.495 438 c N 1.061 119.561 118.600 -0.168 0.000 2.449 438 c HA -0.041 4.538 4.570 0.016 0.000 0.283 438 c C 2.382 176.435 174.090 -0.061 0.000 1.453 438 c CA 0.776 57.017 56.329 -0.147 0.000 1.779 438 c CB -1.206 41.107 42.510 -0.328 0.000 1.779 438 c HN 0.531 nan 8.230 nan 0.000 0.546 439 K N 0.447 120.794 120.400 -0.089 0.000 2.439 439 K HA 0.065 4.395 4.320 0.016 0.000 0.197 439 K C 0.669 177.167 176.600 -0.170 0.000 1.041 439 K CA 0.590 56.802 56.287 -0.125 0.000 0.970 439 K CB -0.410 31.979 32.500 -0.186 0.000 0.773 439 K HN 0.659 nan 8.250 nan 0.000 0.479 440 H N 0.564 119.623 119.070 -0.019 0.000 2.505 440 H HA 0.222 4.788 4.556 0.016 0.000 0.355 440 H C -2.059 173.266 175.328 -0.006 0.000 1.179 440 H CA -1.960 54.084 56.048 -0.007 0.000 1.343 440 H CB 0.676 30.437 29.762 -0.002 0.000 1.501 440 H HN -0.123 nan 8.280 nan 0.000 0.569 441 P HA 0.042 nan 4.420 nan 0.000 0.276 441 P C 0.780 178.119 177.300 0.066 0.000 1.244 441 P CA -0.310 62.834 63.100 0.073 0.000 0.801 441 P CB 0.927 32.659 31.700 0.053 0.000 1.006 442 E N 1.134 121.359 120.200 0.043 0.000 2.339 442 E HA -0.285 4.075 4.350 0.016 0.000 0.201 442 E C 1.506 178.126 176.600 0.032 0.000 1.015 442 E CA 1.363 57.785 56.400 0.036 0.000 0.841 442 E CB -0.273 29.445 29.700 0.031 0.000 0.754 442 E HN 0.496 nan 8.360 nan 0.000 0.508 443 A N 0.192 123.028 122.820 0.026 0.000 1.970 443 A HA -0.079 4.250 4.320 0.016 0.000 0.216 443 A C 1.820 179.399 177.584 -0.008 0.000 1.170 443 A CA 1.037 53.080 52.037 0.010 0.000 0.645 443 A CB 0.187 19.186 19.000 -0.002 0.000 0.816 443 A HN 0.112 nan 8.150 nan 0.000 0.447 444 K N -0.769 119.622 120.400 -0.015 0.000 2.455 444 K HA 0.345 4.675 4.320 0.016 0.000 0.206 444 K C 1.328 177.844 176.600 -0.140 0.000 1.027 444 K CA 0.069 56.301 56.287 -0.093 0.000 1.113 444 K CB 0.182 32.604 32.500 -0.130 0.000 0.850 444 K HN 0.580 nan 8.250 nan 0.000 0.503 445 R N 0.614 121.087 120.500 -0.045 0.000 2.052 445 R HA 0.199 4.549 4.340 0.016 0.000 0.226 445 R C 2.463 178.745 176.300 -0.031 0.000 1.145 445 R CA 1.714 57.797 56.100 -0.027 0.000 0.952 445 R CB -0.330 29.979 30.300 0.015 0.000 0.847 445 R HN 0.300 nan 8.270 nan 0.000 0.431 446 M N 1.068 120.658 119.600 -0.017 0.000 2.106 446 M HA -0.111 4.379 4.480 0.016 0.000 0.259 446 M C -1.154 175.123 176.300 -0.039 0.000 1.068 446 M CA 1.916 57.203 55.300 -0.022 0.000 1.100 446 M CB -0.511 32.079 32.600 -0.017 0.000 1.351 446 M HN -0.026 nan 8.290 nan 0.000 0.404 447 P HA -0.097 nan 4.420 nan 0.000 0.216 447 P C 1.763 179.010 177.300 -0.088 0.000 1.153 447 P CA 1.215 64.265 63.100 -0.084 0.000 0.844 447 P CB -0.375 31.261 31.700 -0.107 0.000 0.787 448 c N 0.031 118.574 118.600 -0.095 0.000 2.413 448 c HA -0.105 4.474 4.570 0.016 0.000 0.277 448 c C 2.864 177.003 174.090 0.082 0.000 1.228 448 c CA 1.756 58.064 56.329 -0.035 0.000 1.731 448 c CB -1.645 40.837 42.510 -0.047 0.000 2.042 448 c HN 0.233 nan 8.230 nan 0.000 0.468 449 A N 0.267 123.129 122.820 0.069 0.000 1.884 449 A HA -0.315 4.014 4.320 0.016 0.000 0.219 449 A C 2.152 179.775 177.584 0.066 0.000 1.197 449 A CA 2.412 54.503 52.037 0.089 0.000 0.637 449 A CB -1.214 17.810 19.000 0.040 0.000 0.827 449 A HN 0.856 nan 8.150 nan 0.000 0.450 450 E N -0.564 119.642 120.200 0.010 0.000 2.070 450 E HA -0.314 4.045 4.350 0.016 0.000 0.197 450 E C 1.796 178.386 176.600 -0.017 0.000 1.004 450 E CA 1.597 57.997 56.400 -0.001 0.000 0.805 450 E CB -0.313 29.378 29.700 -0.016 0.000 0.744 450 E HN 0.533 nan 8.360 nan 0.000 0.451 451 D N -0.776 119.573 120.400 -0.085 0.000 2.123 451 D HA -0.195 4.454 4.640 0.016 0.000 0.196 451 D C 1.723 177.871 176.300 -0.254 0.000 0.992 451 D CA 1.283 55.161 54.000 -0.203 0.000 0.833 451 D CB -0.212 40.365 40.800 -0.372 0.000 0.954 451 D HN 0.325 nan 8.370 nan 0.000 0.455 452 Y N -0.209 120.092 120.300 0.002 0.000 2.176 452 Y HA -0.009 4.550 4.550 0.015 0.000 0.291 452 Y C 2.284 178.176 175.900 -0.014 0.000 1.122 452 Y CA 0.221 58.321 58.100 0.000 0.000 1.128 452 Y CB -0.677 37.784 38.460 0.002 0.000 1.005 452 Y HN -0.052 nan 8.280 nan 0.000 0.509 453 L N 0.208 121.513 121.223 0.137 0.000 2.081 453 L HA -0.270 4.080 4.340 0.016 0.000 0.212 453 L C 2.613 179.486 176.870 0.004 0.000 1.080 453 L CA 2.165 57.032 54.840 0.045 0.000 0.754 453 L CB -1.661 40.413 42.059 0.026 0.000 0.893 453 L HN 0.374 nan 8.230 nan 0.000 0.433 454 S N -0.682 115.022 115.700 0.006 0.000 2.365 454 S HA -0.222 4.257 4.470 0.016 0.000 0.225 454 S C 2.043 176.631 174.600 -0.020 0.000 1.039 454 S CA 1.912 60.104 58.200 -0.013 0.000 1.033 454 S CB -1.483 61.704 63.200 -0.021 0.000 0.887 454 S HN 0.360 nan 8.310 nan 0.000 0.447 455 V N 0.118 120.027 119.914 -0.008 0.000 2.379 455 V HA -0.014 4.116 4.120 0.016 0.000 0.245 455 V C 2.305 178.398 176.094 -0.003 0.000 1.044 455 V CA 1.440 63.739 62.300 -0.001 0.000 1.036 455 V CB -1.243 30.592 31.823 0.020 0.000 0.664 455 V HN 0.392 nan 8.190 nan 0.000 0.453 456 V N 0.101 120.014 119.914 -0.001 0.000 2.295 456 V HA -0.204 3.926 4.120 0.016 0.000 0.246 456 V C 2.675 178.710 176.094 -0.098 0.000 1.049 456 V CA 2.307 64.584 62.300 -0.038 0.000 1.024 456 V CB -0.748 31.050 31.823 -0.043 0.000 0.648 456 V HN 0.480 nan 8.190 nan 0.000 0.447 457 L N 0.325 121.474 121.223 -0.123 0.000 2.191 457 L HA -0.139 4.210 4.340 0.016 0.000 0.212 457 L C 2.110 178.943 176.870 -0.061 0.000 1.103 457 L CA 1.866 56.596 54.840 -0.184 0.000 0.769 457 L CB -1.333 40.650 42.059 -0.127 0.000 0.908 457 L HN 0.431 nan 8.230 nan 0.000 0.438 458 N N -0.945 117.742 118.700 -0.021 0.000 2.109 458 N HA -0.170 4.580 4.740 0.016 0.000 0.188 458 N C 1.853 177.370 175.510 0.012 0.000 1.034 458 N CA 1.060 54.118 53.050 0.012 0.000 0.846 458 N CB 0.039 38.530 38.487 0.006 0.000 1.010 458 N HN 0.270 nan 8.380 nan 0.000 0.425 459 Q N -0.296 119.502 119.800 -0.003 0.000 2.077 459 Q HA -0.156 4.193 4.340 0.016 0.000 0.206 459 Q C 1.838 177.841 176.000 0.005 0.000 0.989 459 Q CA 1.403 57.209 55.803 0.004 0.000 0.853 459 Q CB -0.311 28.427 28.738 -0.001 0.000 0.907 459 Q HN 0.275 nan 8.270 nan 0.000 0.418 460 L N -0.140 121.066 121.223 -0.028 0.000 2.021 460 L HA -0.287 4.062 4.340 0.016 0.000 0.215 460 L C 2.246 179.151 176.870 0.058 0.000 1.074 460 L CA 1.777 56.600 54.840 -0.029 0.000 0.760 460 L CB -0.897 41.066 42.059 -0.160 0.000 0.889 460 L HN 0.420 nan 8.230 nan 0.000 0.433 461 c N -2.010 116.633 118.600 0.072 0.000 2.446 461 c HA -0.105 4.475 4.570 0.016 0.000 0.277 461 c C 2.868 177.024 174.090 0.110 0.000 1.275 461 c CA 0.809 57.209 56.329 0.117 0.000 1.727 461 c CB -0.919 41.660 42.510 0.116 0.000 2.010 461 c HN 0.595 nan 8.230 nan 0.000 0.486 462 V N 0.134 120.090 119.914 0.070 0.000 2.490 462 V HA -0.163 3.966 4.120 0.016 0.000 0.250 462 V C 2.023 178.152 176.094 0.058 0.000 1.061 462 V CA 1.946 64.279 62.300 0.054 0.000 1.064 462 V CB -0.775 31.066 31.823 0.030 0.000 0.670 462 V HN 0.599 nan 8.190 nan 0.000 0.461 463 L N -0.346 120.916 121.223 0.065 0.000 2.005 463 L HA -0.106 4.244 4.340 0.016 0.000 0.207 463 L C 2.938 179.850 176.870 0.071 0.000 1.072 463 L CA 2.109 56.981 54.840 0.053 0.000 0.744 463 L CB -0.904 41.182 42.059 0.046 0.000 0.895 463 L HN 0.447 nan 8.230 nan 0.000 0.433 464 H N 0.012 119.095 119.070 0.022 0.000 2.457 464 H HA -0.207 4.359 4.556 0.017 0.000 0.297 464 H C 2.042 177.384 175.328 0.022 0.000 1.092 464 H CA 1.785 57.850 56.048 0.029 0.000 1.309 464 H CB 0.337 30.131 29.762 0.053 0.000 1.382 464 H HN 0.441 nan 8.280 nan 0.000 0.535 465 E N 0.227 120.521 120.200 0.155 0.000 2.031 465 E HA -0.143 4.217 4.350 0.016 0.000 0.193 465 E C 2.366 178.982 176.600 0.027 0.000 0.994 465 E CA 0.922 57.379 56.400 0.096 0.000 0.800 465 E CB 0.245 29.984 29.700 0.065 0.000 0.752 465 E HN 0.311 nan 8.360 nan 0.000 0.447 466 K N -0.254 120.152 120.400 0.010 0.000 2.009 466 K HA -0.085 4.245 4.320 0.016 0.000 0.210 466 K C 1.013 177.588 176.600 -0.042 0.000 1.049 466 K CA 1.540 57.819 56.287 -0.013 0.000 0.929 466 K CB -0.306 32.188 32.500 -0.010 0.000 0.714 466 K HN 0.197 nan 8.250 nan 0.000 0.440 467 T N 1.899 116.407 114.554 -0.075 0.000 3.332 467 T HA 0.322 4.682 4.350 0.016 0.000 0.385 467 T C -2.700 171.840 174.700 -0.267 0.000 1.695 467 T CA -1.937 60.090 62.100 -0.121 0.000 1.397 467 T CB 1.140 69.954 68.868 -0.090 0.000 1.100 467 T HN -0.124 nan 8.240 nan 0.000 0.669 468 P HA 0.160 nan 4.420 nan 0.000 0.265 468 P C 0.298 177.368 177.300 -0.382 0.000 1.187 468 P CA -0.114 62.704 63.100 -0.469 0.000 0.766 468 P CB 0.997 32.617 31.700 -0.132 0.000 0.820 469 V N 0.638 120.282 119.914 -0.451 0.000 3.141 469 V HA 0.123 4.253 4.120 0.016 0.000 0.225 469 V C 0.605 176.754 176.094 0.091 0.000 1.352 469 V CA 0.738 62.980 62.300 -0.097 0.000 1.316 469 V CB 0.706 32.493 31.823 -0.059 0.000 1.126 469 V HN 0.554 nan 8.190 nan 0.000 0.493 470 S N 0.452 116.335 115.700 0.305 0.000 2.526 470 S HA 0.280 4.760 4.470 0.016 0.000 0.293 470 S C 0.538 175.255 174.600 0.194 0.000 1.092 470 S CA -0.173 58.157 58.200 0.216 0.000 0.980 470 S CB 1.637 64.941 63.200 0.173 0.000 1.048 470 S HN 0.566 nan 8.310 nan 0.000 0.483 471 D N 4.478 124.936 120.400 0.097 0.000 2.144 471 D HA -0.155 4.495 4.640 0.016 0.000 0.200 471 D C 1.516 177.809 176.300 -0.013 0.000 0.978 471 D CA 0.838 54.868 54.000 0.050 0.000 0.833 471 D CB -0.200 40.619 40.800 0.031 0.000 0.961 471 D HN 0.523 nan 8.370 nan 0.000 0.470 472 R N 0.423 120.912 120.500 -0.018 0.000 2.105 472 R HA -0.057 4.293 4.340 0.016 0.000 0.239 472 R C 2.548 178.748 176.300 -0.168 0.000 1.135 472 R CA 0.922 56.978 56.100 -0.072 0.000 0.967 472 R CB -0.268 30.010 30.300 -0.036 0.000 0.861 472 R HN 0.116 nan 8.270 nan 0.000 0.442 473 V N -0.073 119.739 119.914 -0.171 0.000 2.548 473 V HA -0.183 3.946 4.120 0.016 0.000 0.249 473 V C 1.923 177.751 176.094 -0.444 0.000 1.055 473 V CA 2.015 64.122 62.300 -0.321 0.000 1.065 473 V CB -0.320 31.294 31.823 -0.347 0.000 0.681 473 V HN 0.406 nan 8.190 nan 0.000 0.462 474 T N 0.040 114.385 114.554 -0.349 0.000 2.746 474 T HA -0.237 4.122 4.350 0.016 0.000 0.267 474 T C 1.941 176.544 174.700 -0.162 0.000 1.039 474 T CA 1.869 63.846 62.100 -0.205 0.000 1.142 474 T CB -0.195 68.658 68.868 -0.025 0.000 0.866 474 T HN 0.445 nan 8.240 nan 0.000 0.444 475 K N 0.834 121.138 120.400 -0.160 0.000 2.032 475 K HA -0.115 4.215 4.320 0.016 0.000 0.209 475 K C 2.281 178.764 176.600 -0.196 0.000 1.048 475 K CA 1.703 57.905 56.287 -0.142 0.000 0.927 475 K CB -0.792 31.633 32.500 -0.125 0.000 0.712 475 K HN 0.369 nan 8.250 nan 0.000 0.441 476 c N -0.171 118.219 118.600 -0.349 0.000 2.446 476 c HA -0.042 4.537 4.570 0.016 0.000 0.277 476 c C 2.819 176.729 174.090 -0.300 0.000 1.275 476 c CA 0.486 56.523 56.329 -0.486 0.000 1.727 476 c CB -1.033 40.766 42.510 -1.185 0.000 2.010 476 c HN 0.671 nan 8.230 nan 0.000 0.486 477 c N 1.292 119.751 118.600 -0.234 0.000 2.435 477 c HA -0.064 4.516 4.570 0.016 0.000 0.279 477 c C 2.859 176.951 174.090 0.005 0.000 1.321 477 c CA 1.924 58.229 56.329 -0.039 0.000 1.752 477 c CB -1.554 40.939 42.510 -0.028 0.000 1.959 477 c HN 0.830 nan 8.230 nan 0.000 0.500 478 T N -1.991 112.544 114.554 -0.032 0.000 3.057 478 T HA 0.050 4.409 4.350 0.016 0.000 0.254 478 T C 0.490 175.201 174.700 0.020 0.000 1.094 478 T CA 0.239 62.334 62.100 -0.008 0.000 1.088 478 T CB 0.064 68.914 68.868 -0.031 0.000 0.934 478 T HN 0.513 nan 8.240 nan 0.000 0.497 479 E N 2.184 122.386 120.200 0.004 0.000 2.451 479 E HA 0.257 4.617 4.350 0.016 0.000 0.256 479 E C 0.178 176.861 176.600 0.140 0.000 1.294 479 E CA -0.012 56.405 56.400 0.029 0.000 1.005 479 E CB 0.445 30.124 29.700 -0.034 0.000 0.990 479 E HN 0.321 nan 8.360 nan 0.000 0.505 480 S N 0.919 116.700 115.700 0.135 0.000 2.549 480 S HA -0.039 4.440 4.470 0.016 0.000 0.286 480 S C 1.071 175.698 174.600 0.045 0.000 1.314 480 S CA -0.321 57.997 58.200 0.197 0.000 1.062 480 S CB 0.188 63.452 63.200 0.106 0.000 0.865 480 S HN 0.552 nan 8.310 nan 0.000 0.498 481 L N 5.659 126.767 121.223 -0.192 0.000 2.447 481 L HA -0.013 4.337 4.340 0.016 0.000 0.225 481 L C 2.096 178.851 176.870 -0.191 0.000 1.148 481 L CA 1.417 56.051 54.840 -0.343 0.000 0.808 481 L CB -0.251 41.272 42.059 -0.894 0.000 0.928 481 L HN 0.753 nan 8.230 nan 0.000 0.448 482 V N -0.282 119.553 119.914 -0.132 0.000 2.825 482 V HA 0.016 4.146 4.120 0.016 0.000 0.246 482 V C 1.078 177.144 176.094 -0.047 0.000 1.068 482 V CA 1.155 63.410 62.300 -0.075 0.000 1.088 482 V CB -0.326 31.459 31.823 -0.063 0.000 0.733 482 V HN 0.794 nan 8.190 nan 0.000 0.468 483 N N 0.382 119.062 118.700 -0.033 0.000 2.389 483 N HA 0.125 4.874 4.740 0.016 0.000 0.260 483 N C 1.177 176.674 175.510 -0.021 0.000 1.191 483 N CA -0.042 52.992 53.050 -0.025 0.000 0.885 483 N CB -0.125 38.348 38.487 -0.024 0.000 1.162 483 N HN 0.563 nan 8.380 nan 0.000 0.512 484 R N 0.711 121.210 120.500 -0.003 0.000 2.055 484 R HA 0.122 4.471 4.340 0.016 0.000 0.226 484 R C 1.967 178.332 176.300 0.108 0.000 1.135 484 R CA 0.432 56.546 56.100 0.024 0.000 0.959 484 R CB -0.009 30.331 30.300 0.068 0.000 0.854 484 R HN 0.007 nan 8.270 nan 0.000 0.431 485 R N 0.630 121.208 120.500 0.131 0.000 2.083 485 R HA -0.056 4.294 4.340 0.016 0.000 0.237 485 R C -0.880 175.497 176.300 0.128 0.000 1.137 485 R CA 1.647 57.848 56.100 0.170 0.000 0.951 485 R CB -1.368 28.978 30.300 0.076 0.000 0.851 485 R HN 0.293 nan 8.270 nan 0.000 0.434 486 P HA -0.068 nan 4.420 nan 0.000 0.222 486 P C 1.562 178.869 177.300 0.012 0.000 1.147 486 P CA 0.692 63.808 63.100 0.027 0.000 0.790 486 P CB -0.305 31.393 31.700 -0.004 0.000 0.780 487 c N -1.889 116.692 118.600 -0.031 0.000 2.446 487 c HA -0.073 4.507 4.570 0.016 0.000 0.277 487 c C 2.337 176.344 174.090 -0.138 0.000 1.275 487 c CA 0.527 56.779 56.329 -0.129 0.000 1.727 487 c CB -2.081 40.276 42.510 -0.255 0.000 2.010 487 c HN 0.056 nan 8.230 nan 0.000 0.486 488 F N 1.557 121.484 119.950 -0.039 0.000 2.206 488 F HA -0.030 4.508 4.527 0.017 0.000 0.298 488 F C 2.740 178.528 175.800 -0.021 0.000 1.090 488 F CA 1.815 59.783 58.000 -0.052 0.000 1.323 488 F CB -0.680 38.267 39.000 -0.087 0.000 1.028 488 F HN 0.129 nan 8.300 nan 0.000 0.492 489 S N -0.333 115.472 115.700 0.176 0.000 2.423 489 S HA -0.097 4.382 4.470 0.016 0.000 0.231 489 S C 2.110 176.765 174.600 0.092 0.000 1.014 489 S CA 0.916 59.191 58.200 0.126 0.000 0.965 489 S CB -0.468 62.785 63.200 0.087 0.000 0.785 489 S HN 0.334 nan 8.310 nan 0.000 0.495 490 A N 0.576 123.430 122.820 0.058 0.000 2.218 490 A HA 0.368 4.697 4.320 0.016 0.000 0.209 490 A C 0.721 178.325 177.584 0.034 0.000 1.168 490 A CA -0.161 51.896 52.037 0.033 0.000 0.804 490 A CB -0.237 18.765 19.000 0.004 0.000 0.834 490 A HN 0.381 nan 8.150 nan 0.000 0.482 491 L N 1.016 122.271 121.223 0.054 0.000 2.543 491 L HA 0.018 4.368 4.340 0.016 0.000 0.285 491 L C 0.348 177.256 176.870 0.062 0.000 1.236 491 L CA 0.499 55.372 54.840 0.055 0.000 0.871 491 L CB 0.330 42.449 42.059 0.101 0.000 1.121 491 L HN 0.436 nan 8.230 nan 0.000 0.501 492 E N 1.129 121.357 120.200 0.046 0.000 2.281 492 E HA 0.333 4.693 4.350 0.016 0.000 0.262 492 E C -0.969 175.656 176.600 0.042 0.000 0.933 492 E CA -1.059 55.366 56.400 0.042 0.000 0.809 492 E CB 2.290 32.008 29.700 0.030 0.000 1.242 492 E HN 0.215 nan 8.360 nan 0.000 0.418 493 V N 2.239 122.173 119.914 0.035 0.000 2.584 493 V HA -0.112 4.017 4.120 0.016 0.000 0.303 493 V C 0.295 176.411 176.094 0.036 0.000 1.035 493 V CA 0.595 62.912 62.300 0.029 0.000 1.172 493 V CB 0.241 32.077 31.823 0.021 0.000 0.896 493 V HN 0.636 nan 8.190 nan 0.000 0.486 494 D N 4.453 124.875 120.400 0.037 0.000 2.441 494 D HA 0.026 4.676 4.640 0.016 0.000 0.243 494 D C 1.121 177.476 176.300 0.093 0.000 1.257 494 D CA 0.241 54.280 54.000 0.064 0.000 1.027 494 D CB 0.495 41.333 40.800 0.063 0.000 1.084 494 D HN 0.673 nan 8.370 nan 0.000 0.514 495 E N 0.459 120.702 120.200 0.072 0.000 2.478 495 E HA -0.094 4.265 4.350 0.016 0.000 0.198 495 E C 1.616 178.262 176.600 0.077 0.000 1.046 495 E CA 0.740 57.180 56.400 0.068 0.000 0.870 495 E CB 0.422 30.148 29.700 0.044 0.000 0.818 495 E HN 0.514 nan 8.360 nan 0.000 0.527 496 T N -2.391 112.218 114.554 0.092 0.000 3.037 496 T HA -0.047 4.313 4.350 0.016 0.000 0.251 496 T C 0.631 175.393 174.700 0.104 0.000 1.079 496 T CA -0.410 61.737 62.100 0.078 0.000 1.067 496 T CB -0.293 68.614 68.868 0.065 0.000 0.948 496 T HN 0.088 nan 8.240 nan 0.000 0.496 497 Y N 3.463 123.776 120.300 0.021 0.000 2.788 497 Y HA 0.308 4.867 4.550 0.015 0.000 0.341 497 Y C -0.262 175.651 175.900 0.021 0.000 1.258 497 Y CA -0.796 57.319 58.100 0.024 0.000 1.503 497 Y CB 0.475 38.952 38.460 0.029 0.000 1.325 497 Y HN 0.099 nan 8.280 nan 0.000 0.614 498 V N 6.716 126.173 119.914 -0.761 0.000 2.313 498 V HA 0.343 4.472 4.120 0.016 0.000 0.278 498 V C -2.285 173.296 176.094 -0.854 0.000 1.017 498 V CA -2.403 59.556 62.300 -0.570 0.000 0.823 498 V CB 0.559 32.194 31.823 -0.314 0.000 1.010 498 V HN 0.720 nan 8.190 nan 0.000 0.443 499 P HA -0.068 nan 4.420 nan 0.000 0.263 499 P C -0.155 177.117 177.300 -0.047 0.000 1.162 499 P CA 0.348 63.377 63.100 -0.118 0.000 0.758 499 P CB 0.465 32.144 31.700 -0.034 0.000 0.773 500 K N 2.398 122.893 120.400 0.158 0.000 2.322 500 K HA 0.335 4.664 4.320 0.016 0.000 0.283 500 K C 0.546 177.327 176.600 0.301 0.000 1.042 500 K CA -0.236 56.161 56.287 0.182 0.000 0.958 500 K CB 0.175 32.809 32.500 0.224 0.000 0.984 500 K HN 0.496 nan 8.250 nan 0.000 0.473 501 E N 3.918 124.234 120.200 0.193 0.000 2.437 501 E HA -0.052 4.307 4.350 0.016 0.000 0.263 501 E C -0.382 176.306 176.600 0.148 0.000 1.030 501 E CA -0.023 56.514 56.400 0.229 0.000 0.934 501 E CB 0.094 29.874 29.700 0.134 0.000 0.943 501 E HN 0.536 nan 8.360 nan 0.000 0.444 502 F N 2.230 122.135 119.950 -0.074 0.000 2.589 502 F HA 0.262 4.799 4.527 0.015 0.000 0.352 502 F C 0.622 176.370 175.800 -0.086 0.000 1.168 502 F CA 0.733 58.536 58.000 -0.328 0.000 1.353 502 F CB 0.795 39.643 39.000 -0.254 0.000 1.116 502 F HN 0.533 nan 8.300 nan 0.000 0.608 503 N N 3.616 121.691 118.700 -1.042 0.000 2.599 503 N HA 0.258 5.008 4.740 0.016 0.000 0.283 503 N C 0.030 175.012 175.510 -0.881 0.000 1.160 503 N CA 0.242 52.904 53.050 -0.646 0.000 0.869 503 N CB 1.613 39.861 38.487 -0.399 0.000 1.448 503 N HN 0.793 nan 8.380 nan 0.000 0.535 504 A N 3.275 125.844 122.820 -0.419 0.000 1.892 504 A HA -0.211 4.118 4.320 0.016 0.000 0.218 504 A C 1.970 179.487 177.584 -0.112 0.000 1.188 504 A CA 2.791 54.802 52.037 -0.042 0.000 0.631 504 A CB -1.124 18.024 19.000 0.247 0.000 0.822 504 A HN 0.815 nan 8.150 nan 0.000 0.447 505 E N -1.033 119.078 120.200 -0.149 0.000 2.147 505 E HA -0.240 4.120 4.350 0.016 0.000 0.199 505 E C 1.976 178.378 176.600 -0.331 0.000 1.005 505 E CA 2.213 58.506 56.400 -0.179 0.000 0.810 505 E CB -1.818 27.790 29.700 -0.153 0.000 0.736 505 E HN 0.658 nan 8.360 nan 0.000 0.460 506 T N -0.452 113.807 114.554 -0.491 0.000 2.833 506 T HA 0.001 4.360 4.350 0.016 0.000 0.269 506 T C 0.779 174.930 174.700 -0.915 0.000 1.054 506 T CA 1.258 62.901 62.100 -0.763 0.000 1.135 506 T CB -0.275 67.969 68.868 -1.041 0.000 0.869 506 T HN 0.485 nan 8.240 nan 0.000 0.466 507 F N 1.122 120.898 119.950 -0.291 0.000 2.684 507 F HA 0.317 4.854 4.527 0.015 0.000 0.298 507 F C 0.682 176.449 175.800 -0.054 0.000 1.120 507 F CA -0.536 57.389 58.000 -0.125 0.000 1.332 507 F CB -0.151 38.876 39.000 0.046 0.000 0.986 507 F HN -0.193 nan 8.300 nan 0.000 0.524 508 T N 1.843 116.294 114.554 -0.172 0.000 2.733 508 T HA 0.401 4.760 4.350 0.016 0.000 0.294 508 T C -0.543 173.994 174.700 -0.272 0.000 0.956 508 T CA 0.012 62.096 62.100 -0.027 0.000 0.987 508 T CB 0.159 69.009 68.868 -0.029 0.000 0.920 508 T HN -0.135 nan 8.240 nan 0.000 0.470 509 F N 2.002 122.110 119.950 0.263 0.000 2.492 509 F HA 0.500 5.036 4.527 0.015 0.000 0.327 509 F C 0.987 176.954 175.800 0.279 0.000 1.079 509 F CA -0.882 57.276 58.000 0.263 0.000 0.967 509 F CB 1.434 40.806 39.000 0.620 0.000 1.169 509 F HN 0.606 nan 8.300 nan 0.000 0.472 510 H N -0.317 118.748 119.070 -0.008 0.000 2.754 510 H HA 0.541 5.107 4.556 0.016 0.000 0.352 510 H C 0.413 175.034 175.328 -1.179 0.000 1.213 510 H CA -0.799 54.987 56.048 -0.437 0.000 1.244 510 H CB 1.763 31.401 29.762 -0.207 0.000 1.843 510 H HN 0.695 nan 8.280 nan 0.000 0.587 511 A N 0.510 122.756 122.820 -0.957 0.000 2.067 511 A HA -0.188 4.141 4.320 0.016 0.000 0.219 511 A C 1.794 179.190 177.584 -0.314 0.000 1.158 511 A CA 1.610 53.153 52.037 -0.824 0.000 0.661 511 A CB -0.583 18.255 19.000 -0.271 0.000 0.801 511 A HN 0.879 nan 8.150 nan 0.000 0.452 512 D N 0.519 120.810 120.400 -0.181 0.000 2.190 512 D HA -0.202 4.448 4.640 0.016 0.000 0.200 512 D C 1.368 177.651 176.300 -0.028 0.000 0.992 512 D CA 1.274 55.237 54.000 -0.062 0.000 0.854 512 D CB -0.546 40.243 40.800 -0.018 0.000 0.936 512 D HN 0.389 nan 8.370 nan 0.000 0.462 513 I N 0.791 121.341 120.570 -0.033 0.000 2.800 513 I HA -0.201 3.978 4.170 0.016 0.000 0.266 513 I C 2.335 178.499 176.117 0.078 0.000 1.249 513 I CA 0.470 61.816 61.300 0.076 0.000 1.458 513 I CB -0.326 37.793 38.000 0.198 0.000 1.093 513 I HN 0.162 nan 8.210 nan 0.000 0.466 514 c N -0.401 118.227 118.600 0.046 0.000 2.485 514 c HA -0.048 4.531 4.570 0.016 0.000 0.278 514 c C 2.884 176.993 174.090 0.031 0.000 1.356 514 c CA 1.331 57.697 56.329 0.062 0.000 1.747 514 c CB -1.100 41.460 42.510 0.084 0.000 2.001 514 c HN 0.645 nan 8.230 nan 0.000 0.501 515 T N -1.703 112.862 114.554 0.019 0.000 3.010 515 T HA 0.168 4.527 4.350 0.016 0.000 0.252 515 T C 0.742 175.451 174.700 0.015 0.000 1.047 515 T CA 0.125 62.232 62.100 0.013 0.000 1.140 515 T CB -0.340 68.532 68.868 0.007 0.000 0.885 515 T HN 0.198 nan 8.240 nan 0.000 0.464 516 L N 3.990 125.227 121.223 0.022 0.000 2.640 516 L HA 0.010 4.359 4.340 0.016 0.000 0.300 516 L C 1.204 178.086 176.870 0.021 0.000 1.259 516 L CA 0.430 55.285 54.840 0.026 0.000 0.879 516 L CB -0.386 41.699 42.059 0.043 0.000 1.125 516 L HN 0.616 nan 8.230 nan 0.000 0.507 517 S N 1.704 117.415 115.700 0.018 0.000 2.580 517 S HA 0.096 4.576 4.470 0.016 0.000 0.266 517 S C 1.389 175.993 174.600 0.006 0.000 1.354 517 S CA 0.115 58.321 58.200 0.010 0.000 1.008 517 S CB 0.924 64.131 63.200 0.012 0.000 0.898 517 S HN 0.692 nan 8.310 nan 0.000 0.555 518 E N 0.827 121.022 120.200 -0.009 0.000 2.130 518 E HA -0.149 4.211 4.350 0.016 0.000 0.196 518 E C 1.900 178.489 176.600 -0.018 0.000 0.998 518 E CA 1.885 58.265 56.400 -0.033 0.000 0.806 518 E CB -1.047 28.624 29.700 -0.048 0.000 0.738 518 E HN 0.587 nan 8.360 nan 0.000 0.459 519 K N -0.520 119.884 120.400 0.006 0.000 2.525 519 K HA 0.088 4.417 4.320 0.016 0.000 0.192 519 K C 1.598 178.224 176.600 0.043 0.000 1.029 519 K CA 0.893 57.198 56.287 0.029 0.000 1.029 519 K CB -0.077 32.441 32.500 0.031 0.000 0.814 519 K HN 0.706 nan 8.250 nan 0.000 0.503 520 E N -1.354 118.870 120.200 0.040 0.000 2.367 520 E HA 0.152 4.511 4.350 0.016 0.000 0.204 520 E C 1.953 178.596 176.600 0.073 0.000 0.840 520 E CA -0.045 56.386 56.400 0.051 0.000 1.051 520 E CB 0.224 29.947 29.700 0.039 0.000 1.051 520 E HN 0.037 nan 8.360 nan 0.000 0.509 521 R N 1.127 121.665 120.500 0.063 0.000 2.105 521 R HA -0.116 4.233 4.340 0.016 0.000 0.239 521 R C 2.146 178.522 176.300 0.126 0.000 1.135 521 R CA 1.620 57.774 56.100 0.090 0.000 0.967 521 R CB 0.058 30.384 30.300 0.043 0.000 0.861 521 R HN 0.143 nan 8.270 nan 0.000 0.442 522 Q N -0.562 119.296 119.800 0.098 0.000 2.049 522 Q HA -0.086 4.263 4.340 0.016 0.000 0.198 522 Q C 1.874 177.997 176.000 0.205 0.000 0.971 522 Q CA 1.006 56.926 55.803 0.195 0.000 0.833 522 Q CB -0.037 28.811 28.738 0.184 0.000 0.896 522 Q HN 0.230 nan 8.270 nan 0.000 0.434 523 I N 1.485 122.137 120.570 0.138 0.000 2.236 523 I HA -0.308 3.871 4.170 0.016 0.000 0.249 523 I C 1.931 178.114 176.117 0.110 0.000 1.102 523 I CA 1.733 63.097 61.300 0.107 0.000 1.365 523 I CB -0.862 37.181 38.000 0.072 0.000 1.051 523 I HN 0.221 nan 8.210 nan 0.000 0.420 524 K N 0.545 121.029 120.400 0.139 0.000 2.076 524 K HA -0.070 4.259 4.320 0.016 0.000 0.204 524 K C 2.032 178.777 176.600 0.241 0.000 1.051 524 K CA 0.709 57.097 56.287 0.169 0.000 0.949 524 K CB -0.052 32.570 32.500 0.204 0.000 0.726 524 K HN 0.322 nan 8.250 nan 0.000 0.443 525 K N 1.141 121.705 120.400 0.273 0.000 2.103 525 K HA -0.211 4.119 4.320 0.016 0.000 0.207 525 K C 2.213 178.893 176.600 0.132 0.000 1.048 525 K CA 1.431 57.860 56.287 0.235 0.000 0.930 525 K CB -0.101 32.588 32.500 0.316 0.000 0.716 525 K HN 0.225 nan 8.250 nan 0.000 0.444 526 Q N 0.226 120.111 119.800 0.142 0.000 2.083 526 Q HA -0.077 4.273 4.340 0.016 0.000 0.198 526 Q C 2.041 178.069 176.000 0.047 0.000 0.969 526 Q CA 1.645 57.491 55.803 0.072 0.000 0.838 526 Q CB 0.058 28.842 28.738 0.077 0.000 0.900 526 Q HN 0.282 nan 8.270 nan 0.000 0.436 527 T N 0.523 115.110 114.554 0.054 0.000 2.833 527 T HA -0.156 4.203 4.350 0.016 0.000 0.269 527 T C 1.754 176.457 174.700 0.006 0.000 1.054 527 T CA 1.151 63.259 62.100 0.015 0.000 1.135 527 T CB -0.211 68.653 68.868 -0.008 0.000 0.869 527 T HN 0.368 nan 8.240 nan 0.000 0.466 528 A N 1.238 124.092 122.820 0.056 0.000 1.929 528 A HA 0.075 4.404 4.320 0.016 0.000 0.216 528 A C 2.184 179.848 177.584 0.134 0.000 1.176 528 A CA 0.875 52.976 52.037 0.106 0.000 0.628 528 A CB -0.685 18.497 19.000 0.303 0.000 0.816 528 A HN 0.384 nan 8.150 nan 0.000 0.444 529 L N 0.157 121.414 121.223 0.057 0.000 2.083 529 L HA -0.109 4.241 4.340 0.016 0.000 0.209 529 L C 2.359 179.257 176.870 0.047 0.000 1.083 529 L CA 1.845 56.703 54.840 0.029 0.000 0.752 529 L CB -0.687 41.360 42.059 -0.020 0.000 0.899 529 L HN 0.171 nan 8.230 nan 0.000 0.433 530 V N -0.435 119.499 119.914 0.034 0.000 2.270 530 V HA -0.206 3.923 4.120 0.016 0.000 0.245 530 V C 2.611 178.743 176.094 0.062 0.000 1.043 530 V CA 1.673 63.988 62.300 0.025 0.000 1.014 530 V CB -0.679 31.147 31.823 0.005 0.000 0.645 530 V HN 0.398 nan 8.190 nan 0.000 0.447 531 E N 0.028 120.266 120.200 0.064 0.000 2.171 531 E HA -0.241 4.118 4.350 0.016 0.000 0.197 531 E C 2.084 178.874 176.600 0.317 0.000 0.997 531 E CA 1.349 57.800 56.400 0.085 0.000 0.810 531 E CB -0.402 29.218 29.700 -0.133 0.000 0.738 531 E HN 0.500 nan 8.360 nan 0.000 0.467 532 L N 0.326 121.777 121.223 0.380 0.000 2.027 532 L HA -0.117 4.233 4.340 0.016 0.000 0.206 532 L C 2.215 179.211 176.870 0.209 0.000 1.074 532 L CA 1.340 56.388 54.840 0.346 0.000 0.745 532 L CB -0.505 41.664 42.059 0.184 0.000 0.898 532 L HN -0.114 nan 8.230 nan 0.000 0.433 533 V N -0.201 119.788 119.914 0.126 0.000 2.626 533 V HA -0.215 3.914 4.120 0.016 0.000 0.252 533 V C 2.555 178.707 176.094 0.096 0.000 1.067 533 V CA 1.668 64.010 62.300 0.071 0.000 1.081 533 V CB -0.919 30.912 31.823 0.014 0.000 0.686 533 V HN 0.443 nan 8.190 nan 0.000 0.468 534 K N -0.563 119.919 120.400 0.138 0.000 2.288 534 K HA -0.149 4.180 4.320 0.016 0.000 0.201 534 K C 2.147 178.962 176.600 0.359 0.000 1.048 534 K CA 1.237 57.638 56.287 0.190 0.000 0.956 534 K CB -0.127 32.471 32.500 0.163 0.000 0.746 534 K HN 0.563 nan 8.250 nan 0.000 0.461 535 H N 0.650 119.855 119.070 0.226 0.000 2.431 535 H HA 0.131 4.697 4.556 0.016 0.000 0.295 535 H C -0.090 175.339 175.328 0.167 0.000 1.038 535 H CA 0.969 57.148 56.048 0.220 0.000 1.360 535 H CB 0.599 30.523 29.762 0.270 0.000 1.433 535 H HN -0.221 nan 8.280 nan 0.000 0.536 536 K N 0.960 121.360 120.400 0.000 0.000 2.753 536 K HA 0.189 4.518 4.320 0.016 0.000 0.185 536 K C -2.423 174.185 176.600 0.013 0.000 1.071 536 K CA -1.463 54.776 56.287 -0.080 0.000 0.999 536 K CB 1.989 34.427 32.500 -0.102 0.000 1.244 536 K HN 0.218 nan 8.250 nan 0.000 0.594 537 P HA -0.130 nan 4.420 nan 0.000 0.220 537 P C 0.605 177.924 177.300 0.032 0.000 1.148 537 P CA 0.953 64.092 63.100 0.064 0.000 0.803 537 P CB 0.319 32.107 31.700 0.146 0.000 0.782 538 K N -0.603 119.810 120.400 0.021 0.000 2.505 538 K HA 0.260 4.589 4.320 0.016 0.000 0.192 538 K C 0.942 177.539 176.600 -0.004 0.000 1.025 538 K CA -0.036 56.256 56.287 0.008 0.000 1.086 538 K CB -0.282 32.221 32.500 0.004 0.000 0.840 538 K HN 0.086 nan 8.250 nan 0.000 0.514 539 A N 1.564 124.380 122.820 -0.007 0.000 2.406 539 A HA 0.200 4.529 4.320 0.016 0.000 0.243 539 A C 0.342 177.919 177.584 -0.012 0.000 1.082 539 A CA 0.101 52.131 52.037 -0.012 0.000 0.786 539 A CB 0.198 19.190 19.000 -0.012 0.000 1.029 539 A HN 0.180 nan 8.150 nan 0.000 0.495 540 T N 0.647 115.193 114.554 -0.013 0.000 2.912 540 T HA 0.300 4.659 4.350 0.016 0.000 0.280 540 T C 0.971 175.661 174.700 -0.015 0.000 0.989 540 T CA -0.465 61.627 62.100 -0.013 0.000 0.995 540 T CB 1.186 70.048 68.868 -0.010 0.000 1.077 540 T HN 0.580 nan 8.240 nan 0.000 0.531 541 K N 0.903 121.293 120.400 -0.017 0.000 2.555 541 K HA 0.063 4.392 4.320 0.016 0.000 0.193 541 K C 2.194 178.786 176.600 -0.013 0.000 1.032 541 K CA 0.893 57.168 56.287 -0.020 0.000 1.004 541 K CB -0.036 32.452 32.500 -0.021 0.000 0.804 541 K HN 0.739 nan 8.250 nan 0.000 0.496 542 E N 0.189 120.383 120.200 -0.010 0.000 2.290 542 E HA -0.016 4.343 4.350 0.016 0.000 0.199 542 E C 1.622 178.219 176.600 -0.006 0.000 0.912 542 E CA 0.103 56.499 56.400 -0.006 0.000 0.924 542 E CB -0.287 29.411 29.700 -0.005 0.000 0.901 542 E HN 0.409 nan 8.360 nan 0.000 0.487 543 Q N -0.405 119.390 119.800 -0.009 0.000 2.172 543 Q HA 0.052 4.401 4.340 0.016 0.000 0.200 543 Q C 2.020 178.014 176.000 -0.011 0.000 0.964 543 Q CA 0.966 56.763 55.803 -0.010 0.000 0.855 543 Q CB 0.081 28.811 28.738 -0.013 0.000 0.918 543 Q HN 0.326 nan 8.270 nan 0.000 0.444 544 L N 0.937 122.153 121.223 -0.012 0.000 2.131 544 L HA -0.084 4.265 4.340 0.016 0.000 0.206 544 L C 2.239 179.104 176.870 -0.008 0.000 1.087 544 L CA 1.625 56.457 54.840 -0.014 0.000 0.767 544 L CB -0.530 41.517 42.059 -0.020 0.000 0.917 544 L HN 0.084 nan 8.230 nan 0.000 0.441 545 K N -0.272 120.125 120.400 -0.005 0.000 2.057 545 K HA -0.124 4.206 4.320 0.016 0.000 0.207 545 K C 2.051 178.660 176.600 0.014 0.000 1.049 545 K CA 1.413 57.703 56.287 0.004 0.000 0.931 545 K CB -0.094 32.408 32.500 0.002 0.000 0.714 545 K HN 0.198 nan 8.250 nan 0.000 0.440 546 A N 0.619 123.445 122.820 0.009 0.000 1.845 546 A HA -0.110 4.220 4.320 0.016 0.000 0.215 546 A C 2.298 179.895 177.584 0.022 0.000 1.195 546 A CA 1.828 53.873 52.037 0.013 0.000 0.616 546 A CB -0.916 18.087 19.000 0.005 0.000 0.832 546 A HN 0.154 nan 8.150 nan 0.000 0.443 547 V N -0.146 119.775 119.914 0.013 0.000 2.332 547 V HA -0.343 3.786 4.120 0.016 0.000 0.248 547 V C 2.649 178.775 176.094 0.053 0.000 1.055 547 V CA 2.385 64.695 62.300 0.016 0.000 1.038 547 V CB -0.717 31.098 31.823 -0.013 0.000 0.651 547 V HN 0.572 nan 8.190 nan 0.000 0.450 548 M N -0.728 118.899 119.600 0.045 0.000 2.229 548 M HA -0.165 4.325 4.480 0.016 0.000 0.264 548 M C 1.904 178.291 176.300 0.146 0.000 1.063 548 M CA 1.551 56.901 55.300 0.083 0.000 1.114 548 M CB -0.430 32.197 32.600 0.045 0.000 1.387 548 M HN 0.332 nan 8.290 nan 0.000 0.420 549 D N 0.495 120.952 120.400 0.096 0.000 2.097 549 D HA -0.140 4.509 4.640 0.016 0.000 0.197 549 D C 1.531 177.889 176.300 0.096 0.000 0.984 549 D CA 1.223 55.274 54.000 0.086 0.000 0.826 549 D CB -0.286 40.545 40.800 0.051 0.000 0.973 549 D HN 0.248 nan 8.370 nan 0.000 0.460 550 D N -0.057 120.397 120.400 0.090 0.000 2.092 550 D HA -0.172 4.478 4.640 0.016 0.000 0.193 550 D C 1.847 178.226 176.300 0.131 0.000 0.994 550 D CA 0.546 54.594 54.000 0.080 0.000 0.828 550 D CB -0.631 40.198 40.800 0.049 0.000 0.963 550 D HN 0.185 nan 8.370 nan 0.000 0.450 551 F N 1.337 121.295 119.950 0.014 0.000 2.202 551 F HA -0.202 4.335 4.527 0.016 0.000 0.301 551 F C 2.046 177.923 175.800 0.128 0.000 1.082 551 F CA 1.381 59.414 58.000 0.055 0.000 1.313 551 F CB -0.148 38.834 39.000 -0.028 0.000 1.024 551 F HN -0.064 nan 8.300 nan 0.000 0.495 552 A N 0.771 123.702 122.820 0.185 0.000 1.834 552 A HA -0.129 4.200 4.320 0.016 0.000 0.216 552 A C 2.427 179.979 177.584 -0.054 0.000 1.203 552 A CA 2.103 54.186 52.037 0.076 0.000 0.621 552 A CB -1.730 17.334 19.000 0.106 0.000 0.841 552 A HN 0.487 nan 8.150 nan 0.000 0.446 553 A N -1.531 121.279 122.820 -0.016 0.000 2.076 553 A HA -0.037 4.292 4.320 0.016 0.000 0.220 553 A C 1.924 179.448 177.584 -0.100 0.000 1.160 553 A CA 1.686 53.692 52.037 -0.052 0.000 0.653 553 A CB -0.801 18.189 19.000 -0.016 0.000 0.801 553 A HN 0.824 nan 8.150 nan 0.000 0.455 554 F N 1.004 120.796 119.950 -0.262 0.000 2.065 554 F HA -0.199 4.338 4.527 0.016 0.000 0.298 554 F C 2.025 177.546 175.800 -0.465 0.000 1.112 554 F CA 2.370 60.157 58.000 -0.355 0.000 1.212 554 F CB -0.617 38.113 39.000 -0.449 0.000 0.975 554 F HN 0.025 nan 8.300 nan 0.000 0.476 555 V N 0.439 119.781 119.914 -0.953 0.000 2.951 555 V HA -0.076 4.053 4.120 0.016 0.000 0.255 555 V C 2.676 178.456 176.094 -0.524 0.000 1.088 555 V CA 1.700 63.417 62.300 -0.971 0.000 1.109 555 V CB -1.446 30.006 31.823 -0.619 0.000 0.724 555 V HN 0.528 nan 8.190 nan 0.000 0.471 556 E N 1.075 121.069 120.200 -0.344 0.000 2.077 556 E HA -0.265 4.094 4.350 0.016 0.000 0.193 556 E C 2.129 178.602 176.600 -0.212 0.000 0.989 556 E CA 1.540 57.815 56.400 -0.209 0.000 0.800 556 E CB -0.377 29.242 29.700 -0.135 0.000 0.746 556 E HN 0.710 nan 8.360 nan 0.000 0.452 557 K N -1.166 119.085 120.400 -0.248 0.000 2.596 557 K HA 0.427 4.756 4.320 0.016 0.000 0.211 557 K C 0.876 177.300 176.600 -0.294 0.000 1.046 557 K CA 0.347 56.511 56.287 -0.205 0.000 1.202 557 K CB -0.964 31.453 32.500 -0.139 0.000 0.925 557 K HN 0.559 nan 8.250 nan 0.000 0.486 558 c N -1.798 116.548 118.600 -0.423 0.000 4.403 558 c HA 0.408 4.987 4.570 0.016 0.000 0.408 558 c C 2.102 175.980 174.090 -0.353 0.000 1.714 558 c CA 0.046 56.037 56.329 -0.564 0.000 2.002 558 c CB -0.485 41.273 42.510 -1.254 0.000 3.129 558 c HN 0.812 nan 8.230 nan 0.000 0.662 559 c N 1.087 119.543 118.600 -0.239 0.000 2.513 559 c HA 0.045 4.625 4.570 0.016 0.000 0.292 559 c C 2.740 176.803 174.090 -0.045 0.000 1.359 559 c CA 1.563 57.862 56.329 -0.050 0.000 1.778 559 c CB -0.548 41.928 42.510 -0.057 0.000 2.180 559 c HN 0.638 nan 8.230 nan 0.000 0.509 560 K N 0.335 120.685 120.400 -0.084 0.000 2.444 560 K HA 0.484 4.813 4.320 0.016 0.000 0.193 560 K C 0.270 176.836 176.600 -0.057 0.000 1.024 560 K CA 0.734 56.985 56.287 -0.059 0.000 1.077 560 K CB -0.617 31.844 32.500 -0.064 0.000 0.833 560 K HN 0.522 nan 8.250 nan 0.000 0.517 561 A N 0.951 123.727 122.820 -0.072 0.000 2.331 561 A HA 0.523 4.852 4.320 0.016 0.000 0.283 561 A C 0.203 177.772 177.584 -0.025 0.000 1.142 561 A CA 0.071 52.072 52.037 -0.059 0.000 0.812 561 A CB -0.169 18.776 19.000 -0.093 0.000 1.074 561 A HN 0.728 nan 8.150 nan 0.000 0.497 562 D N 2.700 123.090 120.400 -0.017 0.000 2.412 562 D HA 0.422 5.072 4.640 0.016 0.000 0.257 562 D C 0.196 176.500 176.300 0.006 0.000 1.217 562 D CA 0.839 54.837 54.000 -0.004 0.000 0.897 562 D CB 0.008 nan 40.800 nan 0.000 1.132 562 D HN 1.071 nan 8.370 nan 0.000 0.493 563 D N 1.297 121.708 120.400 0.018 0.000 4.874 563 D HA -0.165 4.484 4.640 0.016 0.000 0.228 563 D C 0.754 177.089 176.300 0.057 0.000 1.423 563 D CA 0.637 54.656 54.000 0.032 0.000 1.130 563 D CB -0.539 40.276 40.800 0.025 0.000 0.564 563 D HN 0.595 nan 8.370 nan 0.000 0.272 564 K N 1.857 122.316 120.400 0.097 0.000 2.056 564 K HA -0.025 4.304 4.320 0.016 0.000 0.205 564 K C 1.738 178.507 176.600 0.280 0.000 1.035 564 K CA 0.872 57.289 56.287 0.217 0.000 0.955 564 K CB -0.238 32.426 32.500 0.274 0.000 0.769 564 K HN 0.370 nan 8.250 nan 0.000 0.447 565 E N 0.896 121.191 120.200 0.157 0.000 2.474 565 E HA -0.199 4.160 4.350 0.016 0.000 0.207 565 E C 1.550 178.232 176.600 0.137 0.000 1.087 565 E CA 1.506 57.968 56.400 0.103 0.000 0.894 565 E CB -1.058 28.643 29.700 0.002 0.000 0.827 565 E HN 0.408 nan 8.360 nan 0.000 0.575 566 T N -1.027 113.615 114.554 0.146 0.000 3.111 566 T HA -0.031 4.329 4.350 0.016 0.000 0.236 566 T C 1.828 176.610 174.700 0.136 0.000 0.984 566 T CA 0.721 62.890 62.100 0.116 0.000 1.195 566 T CB -0.220 68.689 68.868 0.070 0.000 0.929 566 T HN 0.638 nan 8.240 nan 0.000 0.431 567 c N 1.093 119.751 118.600 0.096 0.000 2.422 567 c HA 0.087 4.667 4.570 0.016 0.000 0.286 567 c C 2.144 176.274 174.090 0.066 0.000 1.412 567 c CA 0.242 56.593 56.329 0.036 0.000 1.786 567 c CB -2.099 40.368 42.510 -0.071 0.000 1.835 567 c HN 0.528 nan 8.230 nan 0.000 0.533 568 F N 1.155 121.171 119.950 0.111 0.000 2.335 568 F HA 0.231 4.768 4.527 0.015 0.000 0.296 568 F C 2.459 178.457 175.800 0.330 0.000 1.091 568 F CA 1.391 59.522 58.000 0.218 0.000 1.399 568 F CB -0.195 38.896 39.000 0.152 0.000 1.067 568 F HN 0.289 nan 8.300 nan 0.000 0.520 569 A N -1.373 121.682 122.820 0.392 0.000 2.140 569 A HA 0.086 4.415 4.320 0.016 0.000 0.209 569 A C 1.894 179.606 177.584 0.213 0.000 1.181 569 A CA 0.722 52.935 52.037 0.293 0.000 0.824 569 A CB -0.301 18.819 19.000 0.201 0.000 0.879 569 A HN 0.163 nan 8.150 nan 0.000 0.480 570 E N -0.250 120.062 120.200 0.186 0.000 2.038 570 E HA -0.057 4.302 4.350 0.016 0.000 0.190 570 E C 1.911 178.589 176.600 0.130 0.000 0.967 570 E CA 0.904 57.380 56.400 0.128 0.000 0.816 570 E CB -0.349 29.407 29.700 0.094 0.000 0.784 570 E HN 0.614 nan 8.360 nan 0.000 0.456 571 E N 0.176 120.474 120.200 0.163 0.000 2.204 571 E HA -0.077 4.282 4.350 0.016 0.000 0.195 571 E C 2.142 178.819 176.600 0.130 0.000 0.990 571 E CA 0.921 57.425 56.400 0.173 0.000 0.821 571 E CB -0.529 29.324 29.700 0.255 0.000 0.750 571 E HN 0.421 nan 8.360 nan 0.000 0.477 572 G N 2.255 111.183 108.800 0.214 0.000 2.552 572 G HA2 -0.309 3.660 3.960 0.016 0.000 0.216 572 G HA3 -0.309 3.660 3.960 0.016 0.000 0.216 572 G C 1.505 176.417 174.900 0.020 0.000 1.240 572 G CA 1.071 46.204 45.100 0.056 0.000 0.796 572 G HN 0.243 nan 8.290 nan 0.000 0.568 573 K N 0.472 120.930 120.400 0.098 0.000 2.127 573 K HA -0.148 4.181 4.320 0.016 0.000 0.208 573 K C 2.480 179.097 176.600 0.029 0.000 1.047 573 K CA 1.287 57.622 56.287 0.079 0.000 0.927 573 K CB -0.189 32.361 32.500 0.082 0.000 0.716 573 K HN 0.194 nan 8.250 nan 0.000 0.450 574 K N 0.893 121.302 120.400 0.015 0.000 2.020 574 K HA -0.184 4.146 4.320 0.016 0.000 0.212 574 K C 2.260 178.838 176.600 -0.037 0.000 1.050 574 K CA 1.413 57.697 56.287 -0.006 0.000 0.929 574 K CB -0.315 32.188 32.500 0.005 0.000 0.714 574 K HN 0.077 nan 8.250 nan 0.000 0.443 575 L N 1.009 122.176 121.223 -0.093 0.000 2.017 575 L HA -0.159 4.191 4.340 0.016 0.000 0.208 575 L C 2.093 178.923 176.870 -0.066 0.000 1.073 575 L CA 1.427 56.193 54.840 -0.123 0.000 0.745 575 L CB -0.438 41.438 42.059 -0.304 0.000 0.894 575 L HN -0.099 nan 8.230 nan 0.000 0.432 576 V N 0.451 120.349 119.914 -0.027 0.000 2.287 576 V HA -0.321 3.808 4.120 0.016 0.000 0.248 576 V C 2.844 178.927 176.094 -0.019 0.000 1.053 576 V CA 1.841 64.159 62.300 0.030 0.000 1.027 576 V CB -1.591 30.322 31.823 0.149 0.000 0.646 576 V HN 0.634 nan 8.190 nan 0.000 0.447 577 A N -0.248 122.558 122.820 -0.023 0.000 1.930 577 A HA -0.030 4.299 4.320 0.016 0.000 0.217 577 A C 2.395 179.951 177.584 -0.047 0.000 1.175 577 A CA 1.950 53.959 52.037 -0.047 0.000 0.627 577 A CB -0.677 18.306 19.000 -0.028 0.000 0.815 577 A HN 0.567 nan 8.150 nan 0.000 0.443 578 A N -0.495 122.303 122.820 -0.037 0.000 1.873 578 A HA -0.027 4.303 4.320 0.016 0.000 0.215 578 A C 2.456 180.018 177.584 -0.036 0.000 1.186 578 A CA 1.980 53.997 52.037 -0.033 0.000 0.616 578 A CB -0.842 18.141 19.000 -0.028 0.000 0.823 578 A HN 0.446 nan 8.150 nan 0.000 0.442 579 S N -0.153 115.522 115.700 -0.041 0.000 2.356 579 S HA -0.213 4.267 4.470 0.016 0.000 0.223 579 S C 2.041 176.613 174.600 -0.047 0.000 1.032 579 S CA 1.444 59.618 58.200 -0.043 0.000 1.005 579 S CB -0.466 62.701 63.200 -0.056 0.000 0.867 579 S HN 0.655 nan 8.310 nan 0.000 0.449 580 Q N 0.528 120.292 119.800 -0.060 0.000 2.242 580 Q HA -0.213 4.136 4.340 0.016 0.000 0.211 580 Q C 2.268 178.234 176.000 -0.056 0.000 0.992 580 Q CA 1.594 57.354 55.803 -0.071 0.000 0.889 580 Q CB -0.326 28.327 28.738 -0.142 0.000 0.913 580 Q HN 0.644 nan 8.270 nan 0.000 0.422 581 A N 0.303 123.093 122.820 -0.050 0.000 1.901 581 A HA 0.216 4.546 4.320 0.016 0.000 0.210 581 A C 2.118 179.683 177.584 -0.031 0.000 1.208 581 A CA 0.738 52.751 52.037 -0.039 0.000 0.644 581 A CB -0.393 18.586 19.000 -0.036 0.000 0.863 581 A HN 0.324 nan 8.150 nan 0.000 0.454 582 A N -1.438 121.365 122.820 -0.028 0.000 2.259 582 A HA 0.225 4.554 4.320 0.016 0.000 0.212 582 A C 1.630 179.200 177.584 -0.023 0.000 1.178 582 A CA 1.248 53.272 52.037 -0.023 0.000 0.734 582 A CB -0.278 18.710 19.000 -0.019 0.000 0.774 582 A HN 0.391 nan 8.150 nan 0.000 0.481 583 L N -2.768 118.438 121.223 -0.028 0.000 2.766 583 L HA 0.360 4.709 4.340 0.016 0.000 0.241 583 L C 1.416 178.266 176.870 -0.033 0.000 1.080 583 L CA 1.265 56.088 54.840 -0.029 0.000 0.909 583 L CB -0.481 41.559 42.059 -0.031 0.000 1.277 583 L HN 0.497 nan 8.230 nan 0.000 0.510 584 G N 0.000 108.780 108.800 -0.034 0.000 5.446 584 G HA2 0.000 3.969 3.960 0.016 0.000 0.244 584 G HA3 0.000 3.969 3.960 0.016 0.000 0.244 584 G CA 0.000 45.079 45.100 -0.035 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925