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 1jde_1_A DATA FIRST_RESID 2 DATA SEQUENCE AKWVYKFEEG NASMRNLLGG AGCNLAEMTI LGMPIPQGFT VTTEACTEYY DATA SEQUENCE NSGKQITQEI QDQIFEAITW LEELNGKKFG DTEDPLLVSV RSGARASMPG DATA SEQUENCE MMDTILNLGL NDVAVEGFAK KTGNPRFAYD SYRRFIQMYS DVVMEVPKSH DATA SEQUENCE FEKIIDAMKE EKGVHFDTDL TADDLKELAE KFKAVYKEAM NGEEFPQEPK DATA SEQUENCE DQLMGAVKAV FRSWDNPRAI VYRRMNDIPG DWGTAVNVQT MVFGNKGETS DATA SEQUENCE GTGVAFTRNP STGEKGIYGE YLINAQGEDV VAGVRTPQPI TQLENDMPDC DATA SEQUENCE YKQFMDLAMK LEKHFRDMQD MEFTIEEGKL YFLQTRNGKR TAPAALQIAC DATA SEQUENCE DLVDEGMITE EEAVVRIEAK SLDQLLHPTF NPAALKAGEV IGSALPASPG DATA SEQUENCE AAAGKVYFTA DEAKAAHEKG ERVILVRLET SPEDIEGMHA AEGILTVRGG DATA SEQUENCE MTSHAAVVAR GMGTCCVSGC GEIKINEEAK TFELGGHTFA EGDYISLDGS DATA SEQUENCE TGKXXXXXIE TQEASVSGSF ERIMVWADKF RTLKVRTNAD TPEDTLNAVK DATA SEQUENCE LGAEGIGLCR TEHMFFEADR IMKIRKMILS DSVEAREEAL NELIPFQKGD DATA SEQUENCE FKAMYKALEG RPMTVRYLDP PLHEFVPHTE EEQAELAKNM GLTLAEVKAK DATA SEQUENCE VDELHEFNPM MGHRGCRLAV TYPEIAKMQT RAVMEAAIEV KEETGIDIVP DATA SEQUENCE EIMIPLVGEK KELKFVKDVV VEVAEQVKKE KGSDMQYHIG TMIEIPRAAL DATA SEQUENCE TADAIAEEAE FFSFGTNDLT QMTFGFSRDD AGKFLDSYYK AKIYESDPFA DATA SEQUENCE RLDQTGVGQL VEMAVKKGRQ TRPGLKCGIC GEHGGDPSSV EFCHKVGLNY DATA SEQUENCE VSCSPFRVPI ARLAAAQAAL NNK 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.688 177.584 0.174 0.000 1.274 2 A CA 0.000 52.142 52.037 0.175 0.000 0.836 2 A CB 0.000 19.013 19.000 0.022 0.000 0.831 3 K N -1.090 119.248 120.400 -0.103 0.000 3.451 3 K HA -0.229 4.121 4.320 0.049 0.000 0.273 3 K C -0.292 176.083 176.600 -0.375 0.000 0.944 3 K CA 1.352 57.363 56.287 -0.459 0.000 0.734 3 K CB -1.134 31.090 32.500 -0.461 0.000 1.437 3 K HN 0.617 nan 8.250 nan 0.000 0.454 4 W N -0.622 120.554 121.300 -0.208 0.000 2.735 4 W HA 0.203 4.892 4.660 0.049 0.000 0.264 4 W C 0.604 177.137 176.519 0.023 0.000 1.233 4 W CA 0.172 57.490 57.345 -0.046 0.000 1.408 4 W CB 0.889 30.341 29.460 -0.012 0.000 1.038 4 W HN 0.011 nan 8.180 nan 0.000 0.603 5 V N -0.175 119.808 119.914 0.115 0.000 2.823 5 V HA 0.426 4.575 4.120 0.049 0.000 0.312 5 V C -1.311 174.764 176.094 -0.032 0.000 1.072 5 V CA -1.170 61.221 62.300 0.151 0.000 0.937 5 V CB 2.204 34.143 31.823 0.193 0.000 1.013 5 V HN -0.209 nan 8.190 nan 0.000 0.430 6 Y N 1.913 122.276 120.300 0.106 0.000 2.570 6 Y HA 0.547 5.126 4.550 0.049 0.000 0.345 6 Y C 0.229 176.158 175.900 0.047 0.000 1.014 6 Y CA -0.872 57.255 58.100 0.045 0.000 1.063 6 Y CB 2.055 40.539 38.460 0.041 0.000 1.272 6 Y HN 0.383 nan 8.280 nan 0.000 0.477 7 K N 1.231 121.723 120.400 0.152 0.000 2.130 7 K HA 0.246 4.596 4.320 0.049 0.000 0.268 7 K C 0.103 176.825 176.600 0.203 0.000 0.983 7 K CA -0.602 55.686 56.287 0.001 0.000 0.893 7 K CB 0.782 33.081 32.500 -0.335 0.000 1.066 7 K HN 0.481 nan 8.250 nan 0.000 0.450 8 F N 1.911 121.915 119.950 0.089 0.000 2.027 8 F HA -0.285 4.271 4.527 0.049 0.000 0.297 8 F C 2.299 178.134 175.800 0.058 0.000 1.129 8 F CA 1.922 59.973 58.000 0.085 0.000 1.195 8 F CB -0.904 38.167 39.000 0.118 0.000 0.960 8 F HN 0.718 nan 8.300 nan 0.000 0.485 9 E N 0.099 120.476 120.200 0.296 0.000 2.209 9 E HA -0.233 4.146 4.350 0.049 0.000 0.196 9 E C 1.002 177.664 176.600 0.102 0.000 0.993 9 E CA 1.579 58.083 56.400 0.174 0.000 0.819 9 E CB -0.671 29.138 29.700 0.182 0.000 0.745 9 E HN 0.524 nan 8.360 nan 0.000 0.477 10 E N 0.950 121.204 120.200 0.089 0.000 2.349 10 E HA 0.219 4.599 4.350 0.049 0.000 0.201 10 E C -0.052 176.621 176.600 0.121 0.000 1.087 10 E CA -0.196 56.251 56.400 0.079 0.000 1.128 10 E CB 0.850 30.573 29.700 0.039 0.000 1.188 10 E HN 0.365 nan 8.360 nan 0.000 0.445 11 G N 0.252 109.091 108.800 0.065 0.000 2.976 11 G HA2 0.320 4.309 3.960 0.049 0.000 0.276 11 G HA3 0.320 4.309 3.960 0.049 0.000 0.276 11 G C -0.940 173.939 174.900 -0.035 0.000 1.207 11 G CA -0.293 44.791 45.100 -0.025 0.000 0.803 11 G HN 0.125 nan 8.290 nan 0.000 0.572 12 N N -2.978 115.679 118.700 -0.072 0.000 3.395 12 N HA 0.420 5.189 4.740 0.049 0.000 0.293 12 N C 0.637 176.097 175.510 -0.084 0.000 1.489 12 N CA 0.263 53.277 53.050 -0.060 0.000 0.871 12 N CB 0.896 39.349 38.487 -0.058 0.000 1.649 12 N HN 0.792 nan 8.380 nan 0.000 0.501 13 A N 0.014 122.797 122.820 -0.062 0.000 1.997 13 A HA 0.149 4.498 4.320 0.049 0.000 0.212 13 A C 1.735 179.269 177.584 -0.083 0.000 1.178 13 A CA 1.549 53.539 52.037 -0.077 0.000 0.698 13 A CB -0.567 18.407 19.000 -0.043 0.000 0.842 13 A HN 0.594 nan 8.150 nan 0.000 0.458 14 S N 1.120 116.780 115.700 -0.067 0.000 2.387 14 S HA -0.224 4.276 4.470 0.049 0.000 0.230 14 S C 1.486 176.017 174.600 -0.115 0.000 1.035 14 S CA 1.915 60.069 58.200 -0.076 0.000 1.014 14 S CB -0.660 62.504 63.200 -0.061 0.000 0.836 14 S HN 0.605 nan 8.310 nan 0.000 0.466 15 M N 1.258 120.771 119.600 -0.145 0.000 2.793 15 M HA 0.142 4.652 4.480 0.049 0.000 0.215 15 M C 1.623 177.801 176.300 -0.204 0.000 1.087 15 M CA 0.233 55.411 55.300 -0.204 0.000 1.033 15 M CB -0.509 31.908 32.600 -0.304 0.000 1.760 15 M HN 0.082 nan 8.290 nan 0.000 0.514 16 R N 2.228 122.626 120.500 -0.171 0.000 2.133 16 R HA -0.234 4.136 4.340 0.049 0.000 0.245 16 R C 2.284 178.463 176.300 -0.202 0.000 1.137 16 R CA 2.358 58.355 56.100 -0.170 0.000 0.947 16 R CB -0.528 29.678 30.300 -0.157 0.000 0.865 16 R HN 0.690 nan 8.270 nan 0.000 0.437 17 N N 0.631 119.189 118.700 -0.237 0.000 2.247 17 N HA -0.227 4.543 4.740 0.049 0.000 0.189 17 N C 1.407 176.787 175.510 -0.215 0.000 1.009 17 N CA 1.791 54.677 53.050 -0.273 0.000 0.872 17 N CB -0.176 38.156 38.487 -0.259 0.000 0.980 17 N HN 0.360 nan 8.380 nan 0.000 0.436 18 L N -0.500 120.606 121.223 -0.194 0.000 2.347 18 L HA 0.218 4.588 4.340 0.049 0.000 0.196 18 L C 1.821 178.621 176.870 -0.117 0.000 1.072 18 L CA 0.184 54.928 54.840 -0.160 0.000 0.817 18 L CB -0.143 41.796 42.059 -0.200 0.000 1.029 18 L HN -0.029 nan 8.230 nan 0.000 0.478 19 L N 0.814 121.949 121.223 -0.147 0.000 2.688 19 L HA 0.294 4.664 4.340 0.049 0.000 0.234 19 L C 1.053 177.877 176.870 -0.077 0.000 1.192 19 L CA -0.209 54.576 54.840 -0.091 0.000 0.984 19 L CB -1.027 40.964 42.059 -0.113 0.000 1.232 19 L HN 0.388 nan 8.230 nan 0.000 0.465 20 G N 0.644 109.394 108.800 -0.084 0.000 2.707 20 G HA2 -0.310 3.680 3.960 0.049 0.000 0.279 20 G HA3 -0.310 3.680 3.960 0.049 0.000 0.279 20 G C 0.880 175.737 174.900 -0.072 0.000 1.345 20 G CA -0.064 44.999 45.100 -0.062 0.000 0.912 20 G HN 0.405 nan 8.290 nan 0.000 0.563 21 G N -1.037 107.736 108.800 -0.046 0.000 2.453 21 G HA2 0.386 4.376 3.960 0.049 0.000 0.215 21 G HA3 0.386 4.376 3.960 0.049 0.000 0.215 21 G C 1.931 176.776 174.900 -0.092 0.000 1.147 21 G CA 2.312 47.374 45.100 -0.063 0.000 0.802 21 G HN 1.666 nan 8.290 nan 0.000 0.535 22 A N 1.216 123.996 122.820 -0.066 0.000 1.824 22 A HA 0.278 4.628 4.320 0.049 0.000 0.215 22 A C 2.733 180.248 177.584 -0.116 0.000 1.244 22 A CA 1.944 53.934 52.037 -0.078 0.000 0.604 22 A CB -1.364 17.614 19.000 -0.037 0.000 0.900 22 A HN 0.532 nan 8.150 nan 0.000 0.455 23 G N -0.619 108.139 108.800 -0.069 0.000 2.475 23 G HA2 -0.366 3.623 3.960 0.049 0.000 0.220 23 G HA3 -0.366 3.623 3.960 0.049 0.000 0.220 23 G C 1.732 176.562 174.900 -0.118 0.000 1.125 23 G CA 1.891 46.959 45.100 -0.054 0.000 0.755 23 G HN 1.092 nan 8.290 nan 0.000 0.565 24 C N -0.679 118.545 119.300 -0.127 0.000 2.485 24 C HA 0.224 4.713 4.460 0.049 0.000 0.278 24 C C 2.375 177.263 174.990 -0.170 0.000 1.356 24 C CA 0.640 59.575 59.018 -0.139 0.000 1.747 24 C CB -0.760 26.901 27.740 -0.131 0.000 2.001 24 C HN 0.260 nan 8.230 nan 0.000 0.501 25 N N 1.128 119.702 118.700 -0.210 0.000 2.270 25 N HA 0.066 4.836 4.740 0.049 0.000 0.181 25 N C 1.599 176.945 175.510 -0.273 0.000 1.016 25 N CA 1.071 53.956 53.050 -0.275 0.000 0.870 25 N CB -0.482 37.824 38.487 -0.302 0.000 0.979 25 N HN 0.557 nan 8.380 nan 0.000 0.431 26 L N 0.234 121.260 121.223 -0.329 0.000 2.056 26 L HA -0.055 4.315 4.340 0.049 0.000 0.207 26 L C 2.180 178.740 176.870 -0.517 0.000 1.078 26 L CA 1.295 55.834 54.840 -0.502 0.000 0.749 26 L CB -0.349 41.177 42.059 -0.889 0.000 0.901 26 L HN 0.095 nan 8.230 nan 0.000 0.433 27 A N -0.822 121.752 122.820 -0.410 0.000 1.930 27 A HA -0.214 4.136 4.320 0.049 0.000 0.217 27 A C 2.177 179.706 177.584 -0.091 0.000 1.175 27 A CA 1.568 53.511 52.037 -0.156 0.000 0.627 27 A CB -0.435 18.541 19.000 -0.041 0.000 0.815 27 A HN 0.376 nan 8.150 nan 0.000 0.443 28 E N 0.275 120.403 120.200 -0.119 0.000 2.058 28 E HA -0.197 4.182 4.350 0.049 0.000 0.194 28 E C 2.002 178.550 176.600 -0.086 0.000 0.997 28 E CA 2.007 58.361 56.400 -0.077 0.000 0.801 28 E CB -0.395 29.268 29.700 -0.061 0.000 0.746 28 E HN 0.644 nan 8.360 nan 0.000 0.450 29 M N -0.509 119.039 119.600 -0.086 0.000 2.086 29 M HA -0.129 4.380 4.480 0.049 0.000 0.261 29 M C 2.212 178.479 176.300 -0.056 0.000 1.067 29 M CA 1.985 57.245 55.300 -0.068 0.000 1.116 29 M CB -0.657 31.901 32.600 -0.071 0.000 1.348 29 M HN 0.061 nan 8.290 nan 0.000 0.407 30 T N 1.318 115.849 114.554 -0.038 0.000 2.822 30 T HA -0.090 4.290 4.350 0.049 0.000 0.270 30 T C 1.634 176.356 174.700 0.036 0.000 1.064 30 T CA 0.967 63.095 62.100 0.047 0.000 1.131 30 T CB -0.189 68.750 68.868 0.118 0.000 0.858 30 T HN 0.212 nan 8.240 nan 0.000 0.483 31 I N 0.404 120.966 120.570 -0.012 0.000 3.226 31 I HA 0.158 4.357 4.170 0.049 0.000 0.277 31 I C 1.902 177.992 176.117 -0.044 0.000 1.243 31 I CA 0.494 61.786 61.300 -0.013 0.000 1.459 31 I CB -1.047 36.946 38.000 -0.013 0.000 1.093 31 I HN 0.309 nan 8.210 nan 0.000 0.453 32 L N 0.725 121.895 121.223 -0.090 0.000 2.341 32 L HA 0.281 4.650 4.340 0.049 0.000 0.214 32 L C 0.852 177.688 176.870 -0.056 0.000 1.115 32 L CA 0.549 55.319 54.840 -0.116 0.000 0.820 32 L CB -0.533 41.401 42.059 -0.208 0.000 0.944 32 L HN 0.396 nan 8.230 nan 0.000 0.452 33 G N 1.386 110.173 108.800 -0.022 0.000 3.081 33 G HA2 -0.107 3.883 3.960 0.049 0.000 0.603 33 G HA3 -0.107 3.883 3.960 0.049 0.000 0.603 33 G C -0.782 174.121 174.900 0.005 0.000 1.106 33 G CA -0.617 44.489 45.100 0.012 0.000 1.001 33 G HN -0.047 nan 8.290 nan 0.000 0.445 34 M N 2.590 122.216 119.600 0.043 0.000 2.575 34 M HA 0.388 4.897 4.480 0.049 0.000 0.284 34 M C -2.447 173.950 176.300 0.162 0.000 1.253 34 M CA -2.097 53.232 55.300 0.048 0.000 0.861 34 M CB 2.004 34.575 32.600 -0.050 0.000 1.733 34 M HN 0.102 nan 8.290 nan 0.000 0.462 35 P HA 0.166 nan 4.420 nan 0.000 0.237 35 P C -0.684 176.875 177.300 0.432 0.000 1.701 35 P CA 0.350 63.609 63.100 0.265 0.000 0.955 35 P CB -1.148 30.615 31.700 0.104 0.000 1.937 36 I N -1.831 118.962 120.570 0.371 0.000 2.362 36 I HA 0.535 4.735 4.170 0.049 0.000 0.289 36 I C -2.576 173.736 176.117 0.326 0.000 0.994 36 I CA -3.372 58.142 61.300 0.356 0.000 1.158 36 I CB 2.213 40.373 38.000 0.267 0.000 1.315 36 I HN -0.179 nan 8.210 nan 0.000 0.451 37 P HA 0.090 nan 4.420 nan 0.000 0.270 37 P C -0.292 177.107 177.300 0.165 0.000 1.242 37 P CA 0.144 63.311 63.100 0.112 0.000 0.768 37 P CB 0.766 32.430 31.700 -0.060 0.000 0.820 38 Q N 1.321 121.216 119.800 0.158 0.000 2.593 38 Q HA 0.205 4.574 4.340 0.049 0.000 0.285 38 Q C 0.917 176.893 176.000 -0.039 0.000 1.185 38 Q CA 1.631 57.531 55.803 0.162 0.000 1.012 38 Q CB 0.084 28.941 28.738 0.198 0.000 1.322 38 Q HN 0.815 nan 8.270 nan 0.000 0.500 39 G N -0.219 108.482 108.800 -0.165 0.000 2.539 39 G HA2 0.395 4.384 3.960 0.049 0.000 0.138 39 G HA3 0.395 4.384 3.960 0.049 0.000 0.138 39 G C -1.831 172.987 174.900 -0.136 0.000 1.148 39 G CA -0.138 44.838 45.100 -0.207 0.000 1.057 39 G HN 0.656 nan 8.290 nan 0.000 0.511 40 F N -1.740 117.843 119.950 -0.612 0.000 2.744 40 F HA 0.800 5.356 4.527 0.049 0.000 0.311 40 F C -0.974 174.786 175.800 -0.066 0.000 1.144 40 F CA -1.081 56.727 58.000 -0.320 0.000 0.938 40 F CB 1.381 40.303 39.000 -0.129 0.000 1.292 40 F HN 0.484 nan 8.300 nan 0.000 0.444 41 T N 1.809 116.494 114.554 0.218 0.000 2.807 41 T HA 0.554 4.933 4.350 0.049 0.000 0.279 41 T C -0.960 173.918 174.700 0.298 0.000 0.993 41 T CA -0.626 61.604 62.100 0.217 0.000 0.970 41 T CB 1.782 70.822 68.868 0.286 0.000 0.950 41 T HN 0.606 nan 8.240 nan 0.000 0.441 42 V N 4.965 125.030 119.914 0.252 0.000 2.313 42 V HA 0.155 4.305 4.120 0.049 0.000 0.252 42 V C 0.977 177.322 176.094 0.417 0.000 1.112 42 V CA -0.582 61.931 62.300 0.354 0.000 0.984 42 V CB -0.458 31.533 31.823 0.280 0.000 1.157 42 V HN 1.013 nan 8.190 nan 0.000 0.493 43 T N 3.847 118.603 114.554 0.336 0.000 2.923 43 T HA -0.078 4.301 4.350 0.049 0.000 0.309 43 T C 1.799 176.542 174.700 0.071 0.000 1.059 43 T CA 0.913 63.143 62.100 0.218 0.000 1.133 43 T CB 0.524 69.553 68.868 0.268 0.000 1.053 43 T HN 0.986 nan 8.240 nan 0.000 0.530 44 T N 1.394 115.924 114.554 -0.040 0.000 2.635 44 T HA -0.257 4.123 4.350 0.049 0.000 0.267 44 T C 1.785 176.345 174.700 -0.234 0.000 1.040 44 T CA 1.594 63.591 62.100 -0.173 0.000 1.156 44 T CB -0.558 68.213 68.868 -0.162 0.000 0.863 44 T HN 0.769 nan 8.240 nan 0.000 0.430 45 E N 3.273 123.352 120.200 -0.201 0.000 2.147 45 E HA -0.119 4.261 4.350 0.049 0.000 0.199 45 E C 2.251 178.694 176.600 -0.261 0.000 1.005 45 E CA 1.502 57.752 56.400 -0.250 0.000 0.810 45 E CB -1.302 28.194 29.700 -0.340 0.000 0.736 45 E HN 0.719 nan 8.360 nan 0.000 0.460 46 A N 0.580 123.269 122.820 -0.219 0.000 2.015 46 A HA -0.117 4.232 4.320 0.049 0.000 0.219 46 A C 2.410 179.892 177.584 -0.170 0.000 1.163 46 A CA 1.257 53.353 52.037 0.099 0.000 0.646 46 A CB -1.054 18.236 19.000 0.484 0.000 0.806 46 A HN 0.570 nan 8.150 nan 0.000 0.448 47 C N -1.156 117.718 119.300 -0.710 0.000 2.476 47 C HA -0.057 4.433 4.460 0.049 0.000 0.278 47 C C 2.761 177.574 174.990 -0.294 0.000 1.274 47 C CA 1.976 60.281 59.018 -1.187 0.000 1.713 47 C CB -1.369 25.606 27.740 -1.274 0.000 2.039 47 C HN 0.530 nan 8.230 nan 0.000 0.484 48 T N 0.715 115.167 114.554 -0.170 0.000 2.833 48 T HA -0.161 4.219 4.350 0.049 0.000 0.269 48 T C 1.623 176.427 174.700 0.172 0.000 1.054 48 T CA 1.997 64.124 62.100 0.044 0.000 1.135 48 T CB -0.431 68.445 68.868 0.013 0.000 0.869 48 T HN 0.801 nan 8.240 nan 0.000 0.466 49 E N 0.694 120.986 120.200 0.153 0.000 2.150 49 E HA -0.156 4.223 4.350 0.049 0.000 0.193 49 E C 1.800 178.568 176.600 0.281 0.000 0.985 49 E CA 0.947 57.512 56.400 0.276 0.000 0.814 49 E CB -0.552 29.478 29.700 0.549 0.000 0.752 49 E HN 0.645 nan 8.360 nan 0.000 0.466 50 Y N -0.275 120.102 120.300 0.127 0.000 2.165 50 Y HA -0.254 4.325 4.550 0.049 0.000 0.286 50 Y C 1.431 177.353 175.900 0.037 0.000 1.155 50 Y CA 2.061 60.215 58.100 0.091 0.000 1.164 50 Y CB -0.422 38.108 38.460 0.116 0.000 0.978 50 Y HN 0.140 nan 8.280 nan 0.000 0.513 51 Y N 0.119 120.624 120.300 0.341 0.000 2.269 51 Y HA -0.065 4.514 4.550 0.049 0.000 0.294 51 Y C 1.495 177.462 175.900 0.111 0.000 1.120 51 Y CA 1.067 59.303 58.100 0.228 0.000 1.159 51 Y CB -0.333 38.266 38.460 0.232 0.000 1.024 51 Y HN 0.040 nan 8.280 nan 0.000 0.532 52 N N 0.531 119.388 118.700 0.262 0.000 2.626 52 N HA -0.050 4.720 4.740 0.049 0.000 0.226 52 N C 0.515 176.085 175.510 0.100 0.000 1.376 52 N CA 1.093 54.240 53.050 0.163 0.000 0.894 52 N CB -0.140 38.430 38.487 0.140 0.000 1.218 52 N HN 0.452 nan 8.380 nan 0.000 0.492 53 S N -3.903 111.831 115.700 0.056 0.000 2.227 53 S HA 0.274 4.774 4.470 0.049 0.000 0.267 53 S C 1.070 175.631 174.600 -0.066 0.000 0.987 53 S CA 0.225 58.419 58.200 -0.010 0.000 1.448 53 S CB 0.908 64.093 63.200 -0.026 0.000 1.118 53 S HN 0.361 nan 8.310 nan 0.000 0.555 54 G N 1.330 110.069 108.800 -0.101 0.000 4.444 54 G HA2 0.255 4.244 3.960 0.049 0.000 0.158 54 G HA3 0.255 4.244 3.960 0.049 0.000 0.158 54 G C -0.138 174.644 174.900 -0.197 0.000 1.789 54 G CA 0.196 45.219 45.100 -0.128 0.000 0.886 54 G HN 0.388 nan 8.290 nan 0.000 0.284 55 K N 0.018 120.173 120.400 -0.409 0.000 1.811 55 K HA 0.013 4.363 4.320 0.049 0.000 0.094 55 K C -0.672 175.389 176.600 -0.897 0.000 1.336 55 K CA 0.610 56.529 56.287 -0.614 0.000 0.315 55 K CB -0.919 31.420 32.500 -0.268 0.000 3.426 55 K HN 0.847 nan 8.250 nan 0.000 0.693 56 Q N 0.062 119.230 119.800 -1.054 0.000 2.386 56 Q HA 0.463 4.832 4.340 0.049 0.000 0.274 56 Q C -0.455 175.273 176.000 -0.452 0.000 1.011 56 Q CA -1.189 54.245 55.803 -0.615 0.000 0.867 56 Q CB 1.133 29.751 28.738 -0.199 0.000 1.409 56 Q HN 0.041 nan 8.270 nan 0.000 0.395 57 I N 1.373 121.880 120.570 -0.105 0.000 2.948 57 I HA 0.339 4.538 4.170 0.049 0.000 0.290 57 I C 0.704 176.772 176.117 -0.082 0.000 1.226 57 I CA 0.639 61.947 61.300 0.015 0.000 1.413 57 I CB 0.193 38.289 38.000 0.161 0.000 1.352 57 I HN 0.903 nan 8.210 nan 0.000 0.597 58 T N 0.233 114.727 114.554 -0.100 0.000 2.754 58 T HA 0.552 4.931 4.350 0.049 0.000 0.296 58 T C 0.186 174.760 174.700 -0.210 0.000 1.205 58 T CA -0.839 61.167 62.100 -0.157 0.000 1.009 58 T CB 0.901 69.665 68.868 -0.173 0.000 1.368 58 T HN 0.569 nan 8.240 nan 0.000 0.509 59 Q N 0.976 120.642 119.800 -0.224 0.000 2.462 59 Q HA -0.263 4.106 4.340 0.049 0.000 0.589 59 Q C 1.669 177.483 176.000 -0.311 0.000 0.600 59 Q CA 2.390 58.043 55.803 -0.251 0.000 0.979 59 Q CB -1.167 27.434 28.738 -0.228 0.000 1.704 59 Q HN 0.924 nan 8.270 nan 0.000 1.007 60 E N -0.686 119.285 120.200 -0.382 0.000 2.332 60 E HA -0.308 4.071 4.350 0.049 0.000 0.223 60 E C 1.731 178.128 176.600 -0.339 0.000 1.095 60 E CA 1.762 57.906 56.400 -0.426 0.000 0.897 60 E CB -0.423 28.825 29.700 -0.754 0.000 0.763 60 E HN 0.330 nan 8.360 nan 0.000 0.464 61 I N 0.748 121.112 120.570 -0.343 0.000 2.162 61 I HA -0.252 3.947 4.170 0.049 0.000 0.238 61 I C 2.423 178.481 176.117 -0.098 0.000 1.076 61 I CA 1.462 62.700 61.300 -0.104 0.000 1.353 61 I CB -0.554 37.447 38.000 0.002 0.000 1.063 61 I HN 0.075 nan 8.210 nan 0.000 0.408 62 Q N 0.165 119.829 119.800 -0.225 0.000 2.030 62 Q HA -0.282 4.087 4.340 0.049 0.000 0.204 62 Q C 1.972 177.640 176.000 -0.554 0.000 0.986 62 Q CA 2.230 57.748 55.803 -0.476 0.000 0.843 62 Q CB -0.473 27.960 28.738 -0.508 0.000 0.904 62 Q HN 0.508 nan 8.270 nan 0.000 0.420 63 D N 0.341 120.532 120.400 -0.349 0.000 2.177 63 D HA -0.226 4.443 4.640 0.049 0.000 0.189 63 D C 2.032 178.269 176.300 -0.106 0.000 1.002 63 D CA 1.763 55.631 54.000 -0.220 0.000 0.845 63 D CB 0.009 40.702 40.800 -0.179 0.000 0.960 63 D HN 0.221 nan 8.370 nan 0.000 0.447 64 Q N -0.422 119.326 119.800 -0.086 0.000 2.124 64 Q HA -0.087 4.283 4.340 0.049 0.000 0.202 64 Q C 2.329 178.325 176.000 -0.006 0.000 0.977 64 Q CA 0.765 56.544 55.803 -0.040 0.000 0.850 64 Q CB -0.033 28.698 28.738 -0.013 0.000 0.901 64 Q HN 0.439 nan 8.270 nan 0.000 0.429 65 I N -0.277 120.359 120.570 0.111 0.000 2.530 65 I HA -0.236 3.964 4.170 0.049 0.000 0.257 65 I C 1.126 177.442 176.117 0.332 0.000 1.179 65 I CA 0.920 62.379 61.300 0.264 0.000 1.440 65 I CB -0.045 38.233 38.000 0.463 0.000 1.087 65 I HN 0.151 nan 8.210 nan 0.000 0.440 66 F N -0.083 119.782 119.950 -0.142 0.000 2.602 66 F HA 0.103 4.660 4.527 0.049 0.000 0.284 66 F C 2.410 178.131 175.800 -0.131 0.000 1.111 66 F CA -0.059 57.866 58.000 -0.124 0.000 1.405 66 F CB -0.762 38.203 39.000 -0.059 0.000 1.121 66 F HN -0.059 nan 8.300 nan 0.000 0.603 67 E N 0.608 120.850 120.200 0.070 0.000 2.085 67 E HA -0.180 4.200 4.350 0.049 0.000 0.194 67 E C 2.271 178.837 176.600 -0.058 0.000 0.994 67 E CA 1.488 57.884 56.400 -0.007 0.000 0.801 67 E CB -0.257 29.418 29.700 -0.043 0.000 0.743 67 E HN 0.321 nan 8.360 nan 0.000 0.453 68 A N 1.058 123.768 122.820 -0.182 0.000 1.943 68 A HA -0.024 4.326 4.320 0.049 0.000 0.213 68 A C 2.086 179.492 177.584 -0.297 0.000 1.181 68 A CA 0.121 51.987 52.037 -0.284 0.000 0.653 68 A CB -0.136 18.532 19.000 -0.553 0.000 0.833 68 A HN 0.082 nan 8.150 nan 0.000 0.451 69 I N 1.725 122.001 120.570 -0.491 0.000 2.399 69 I HA -0.231 3.968 4.170 0.049 0.000 0.254 69 I C 2.657 178.682 176.117 -0.152 0.000 1.146 69 I CA 2.291 63.375 61.300 -0.360 0.000 1.412 69 I CB -1.368 36.367 38.000 -0.443 0.000 1.076 69 I HN 0.591 nan 8.210 nan 0.000 0.432 70 T N -3.256 111.252 114.554 -0.077 0.000 2.896 70 T HA -0.213 4.167 4.350 0.049 0.000 0.263 70 T C 1.697 176.412 174.700 0.025 0.000 1.050 70 T CA 0.618 62.706 62.100 -0.020 0.000 1.140 70 T CB -0.873 67.999 68.868 0.008 0.000 0.877 70 T HN 0.506 nan 8.240 nan 0.000 0.457 71 W N 1.858 123.074 121.300 -0.139 0.000 2.363 71 W HA 0.099 4.789 4.660 0.049 0.000 0.296 71 W C 1.618 178.090 176.519 -0.078 0.000 1.212 71 W CA 0.385 57.669 57.345 -0.102 0.000 1.260 71 W CB -0.480 28.908 29.460 -0.120 0.000 1.131 71 W HN 0.135 nan 8.180 nan 0.000 0.530 72 L N 0.865 121.873 121.223 -0.358 0.000 1.924 72 L HA -0.297 4.072 4.340 0.049 0.000 0.222 72 L C 2.590 179.191 176.870 -0.448 0.000 1.081 72 L CA 2.418 56.862 54.840 -0.659 0.000 0.780 72 L CB -1.333 40.625 42.059 -0.169 0.000 0.891 72 L HN 0.054 nan 8.230 nan 0.000 0.434 73 E N -0.358 119.715 120.200 -0.212 0.000 2.332 73 E HA -0.380 4.000 4.350 0.049 0.000 0.243 73 E C 1.721 178.233 176.600 -0.147 0.000 1.088 73 E CA 2.656 58.979 56.400 -0.128 0.000 1.048 73 E CB -0.200 29.461 29.700 -0.065 0.000 0.911 73 E HN 0.680 nan 8.360 nan 0.000 0.487 74 E N 0.653 120.759 120.200 -0.156 0.000 1.998 74 E HA -0.216 4.164 4.350 0.049 0.000 0.196 74 E C 2.288 178.771 176.600 -0.195 0.000 1.003 74 E CA 1.300 57.620 56.400 -0.133 0.000 0.829 74 E CB -0.734 28.909 29.700 -0.094 0.000 0.777 74 E HN 0.265 nan 8.360 nan 0.000 0.460 75 L N 1.807 122.829 121.223 -0.336 0.000 2.198 75 L HA -0.318 4.052 4.340 0.049 0.000 0.218 75 L C 1.834 178.530 176.870 -0.291 0.000 1.084 75 L CA 2.616 57.214 54.840 -0.404 0.000 0.779 75 L CB -0.570 40.956 42.059 -0.887 0.000 0.890 75 L HN 0.514 nan 8.230 nan 0.000 0.439 76 N N -2.285 116.250 118.700 -0.274 0.000 2.205 76 N HA 0.139 4.908 4.740 0.049 0.000 0.201 76 N C 1.441 176.885 175.510 -0.109 0.000 1.128 76 N CA 0.546 53.491 53.050 -0.175 0.000 0.867 76 N CB 0.484 38.862 38.487 -0.181 0.000 0.996 76 N HN 0.259 nan 8.380 nan 0.000 0.503 77 G N 0.884 109.620 108.800 -0.106 0.000 2.317 77 G HA2 -0.383 3.606 3.960 0.049 0.000 0.265 77 G HA3 -0.383 3.606 3.960 0.049 0.000 0.265 77 G C 0.077 174.941 174.900 -0.060 0.000 0.983 77 G CA 1.200 46.258 45.100 -0.069 0.000 0.641 77 G HN 0.418 nan 8.290 nan 0.000 0.556 78 K N 0.025 120.385 120.400 -0.066 0.000 2.127 78 K HA 0.587 4.936 4.320 0.049 0.000 0.240 78 K C 0.038 176.604 176.600 -0.057 0.000 1.024 78 K CA -0.660 55.589 56.287 -0.063 0.000 0.918 78 K CB 1.008 33.464 32.500 -0.072 0.000 1.108 78 K HN 0.232 nan 8.250 nan 0.000 0.485 79 K N 0.725 121.086 120.400 -0.064 0.000 2.323 79 K HA 0.184 4.534 4.320 0.049 0.000 0.259 79 K C -1.032 175.542 176.600 -0.043 0.000 0.947 79 K CA -0.542 55.719 56.287 -0.044 0.000 0.819 79 K CB 0.511 32.979 32.500 -0.054 0.000 1.109 79 K HN 0.410 nan 8.250 nan 0.000 0.429 80 F N 5.006 124.884 119.950 -0.121 0.000 2.495 80 F HA 0.197 4.753 4.527 0.049 0.000 0.339 80 F C 1.166 176.886 175.800 -0.134 0.000 1.226 80 F CA 1.480 59.403 58.000 -0.130 0.000 0.998 80 F CB -0.469 38.451 39.000 -0.134 0.000 1.180 80 F HN 0.879 nan 8.300 nan 0.000 0.611 81 G N 3.571 111.960 108.800 -0.685 0.000 2.136 81 G HA2 -0.286 3.704 3.960 0.049 0.000 0.242 81 G HA3 -0.286 3.704 3.960 0.049 0.000 0.242 81 G C -0.042 174.635 174.900 -0.373 0.000 0.989 81 G CA 0.040 44.730 45.100 -0.684 0.000 0.682 81 G HN 0.789 nan 8.290 nan 0.000 0.522 82 D N 1.337 121.575 120.400 -0.269 0.000 2.346 82 D HA 0.273 4.942 4.640 0.049 0.000 0.260 82 D C 1.989 178.181 176.300 -0.180 0.000 1.252 82 D CA 0.696 54.588 54.000 -0.180 0.000 0.895 82 D CB 0.684 41.403 40.800 -0.137 0.000 1.097 82 D HN 0.371 nan 8.370 nan 0.000 0.489 83 T N 1.574 116.032 114.554 -0.158 0.000 2.969 83 T HA -0.182 4.197 4.350 0.049 0.000 0.271 83 T C 1.024 175.647 174.700 -0.129 0.000 1.127 83 T CA 1.069 63.080 62.100 -0.148 0.000 1.102 83 T CB 0.132 68.929 68.868 -0.118 0.000 0.855 83 T HN 0.365 nan 8.240 nan 0.000 0.536 84 E N 1.211 121.345 120.200 -0.110 0.000 2.083 84 E HA 0.144 4.524 4.350 0.049 0.000 0.193 84 E C 0.392 176.947 176.600 -0.074 0.000 0.950 84 E CA 0.674 57.024 56.400 -0.084 0.000 0.849 84 E CB -0.079 29.583 29.700 -0.064 0.000 0.827 84 E HN 0.594 nan 8.360 nan 0.000 0.465 85 D N 1.159 121.509 120.400 -0.084 0.000 2.405 85 D HA 0.216 4.885 4.640 0.049 0.000 0.264 85 D C -2.631 173.584 176.300 -0.142 0.000 1.240 85 D CA -2.377 51.577 54.000 -0.078 0.000 0.893 85 D CB 1.201 41.974 40.800 -0.045 0.000 1.198 85 D HN -0.191 nan 8.370 nan 0.000 0.514 86 P HA 0.283 nan 4.420 nan 0.000 0.288 86 P C -0.791 176.338 177.300 -0.285 0.000 1.291 86 P CA -0.749 62.179 63.100 -0.286 0.000 0.766 86 P CB 0.699 32.181 31.700 -0.363 0.000 1.242 87 L N -0.773 120.299 121.223 -0.251 0.000 2.482 87 L HA 0.425 4.795 4.340 0.049 0.000 0.269 87 L C -1.399 175.407 176.870 -0.107 0.000 0.967 87 L CA -0.395 54.363 54.840 -0.137 0.000 0.851 87 L CB 0.543 42.602 42.059 -0.000 0.000 1.242 87 L HN 0.150 nan 8.230 nan 0.000 0.404 88 L N 5.037 126.212 121.223 -0.080 0.000 2.358 88 L HA 0.888 5.257 4.340 0.049 0.000 0.268 88 L C -0.261 176.669 176.870 0.099 0.000 1.032 88 L CA -1.054 53.799 54.840 0.022 0.000 0.805 88 L CB 1.971 44.082 42.059 0.087 0.000 1.253 88 L HN 0.609 nan 8.230 nan 0.000 0.452 89 V N -1.572 118.429 119.914 0.145 0.000 3.147 89 V HA 0.704 4.854 4.120 0.049 0.000 0.306 89 V C -0.495 175.656 176.094 0.095 0.000 1.209 89 V CA -0.668 61.686 62.300 0.089 0.000 1.023 89 V CB 1.982 33.859 31.823 0.091 0.000 1.059 89 V HN 0.813 nan 8.190 nan 0.000 0.435 90 S N 1.182 116.892 115.700 0.017 0.000 2.549 90 S HA 0.884 5.383 4.470 0.049 0.000 0.297 90 S C -0.654 173.940 174.600 -0.010 0.000 1.115 90 S CA -0.721 57.491 58.200 0.021 0.000 1.059 90 S CB 1.553 64.743 63.200 -0.017 0.000 1.046 90 S HN 1.412 nan 8.310 nan 0.000 0.506 91 V N 3.411 123.327 119.914 0.003 0.000 2.398 91 V HA 0.544 4.693 4.120 0.049 0.000 0.282 91 V C -0.264 175.796 176.094 -0.056 0.000 1.014 91 V CA -0.681 61.595 62.300 -0.040 0.000 0.838 91 V CB 0.612 32.434 31.823 -0.001 0.000 1.018 91 V HN 1.038 nan 8.190 nan 0.000 0.432 92 R N 2.057 122.519 120.500 -0.062 0.000 2.621 92 R HA 0.672 5.042 4.340 0.049 0.000 0.284 92 R C -0.313 175.962 176.300 -0.041 0.000 0.998 92 R CA -0.569 55.502 56.100 -0.048 0.000 0.895 92 R CB 1.818 32.100 30.300 -0.030 0.000 1.195 92 R HN 0.532 nan 8.270 nan 0.000 0.450 93 S N 0.725 116.405 115.700 -0.033 0.000 2.515 93 S HA 0.179 4.678 4.470 0.049 0.000 0.285 93 S C 0.718 175.318 174.600 0.001 0.000 1.265 93 S CA -0.162 58.029 58.200 -0.013 0.000 1.079 93 S CB 0.896 64.094 63.200 -0.003 0.000 0.877 93 S HN 0.864 nan 8.310 nan 0.000 0.493 94 G N 1.816 110.621 108.800 0.009 0.000 4.486 94 G HA2 0.560 4.550 3.960 0.049 0.000 0.306 94 G HA3 0.560 4.550 3.960 0.049 0.000 0.306 94 G C 0.427 175.330 174.900 0.005 0.000 1.331 94 G CA -0.238 44.867 45.100 0.008 0.000 1.113 94 G HN 1.077 nan 8.290 nan 0.000 0.594 95 A N 0.409 123.239 122.820 0.016 0.000 2.307 95 A HA 0.456 4.806 4.320 0.049 0.000 0.271 95 A C 1.674 179.293 177.584 0.059 0.000 1.188 95 A CA -0.076 51.976 52.037 0.025 0.000 0.810 95 A CB 0.391 19.439 19.000 0.079 0.000 1.123 95 A HN 0.432 nan 8.150 nan 0.000 0.509 96 R N -0.331 120.236 120.500 0.111 0.000 2.234 96 R HA 0.019 4.388 4.340 0.049 0.000 0.209 96 R C 1.179 177.556 176.300 0.128 0.000 1.077 96 R CA 1.115 57.257 56.100 0.071 0.000 0.866 96 R CB -0.760 29.577 30.300 0.062 0.000 0.764 96 R HN 0.870 nan 8.270 nan 0.000 0.459 97 A N 1.467 124.445 122.820 0.263 0.000 2.561 97 A HA 0.016 4.366 4.320 0.049 0.000 0.251 97 A C 0.297 177.982 177.584 0.170 0.000 1.062 97 A CA 0.715 52.891 52.037 0.231 0.000 0.761 97 A CB -0.123 19.074 19.000 0.327 0.000 0.986 97 A HN 0.586 nan 8.150 nan 0.000 0.510 98 S N 2.771 118.542 115.700 0.118 0.000 2.553 98 S HA 0.160 4.660 4.470 0.049 0.000 0.293 98 S C 0.285 174.957 174.600 0.119 0.000 1.296 98 S CA 0.959 59.217 58.200 0.096 0.000 1.046 98 S CB -0.225 63.028 63.200 0.088 0.000 0.810 98 S HN 0.670 nan 8.310 nan 0.000 0.505 99 M N 3.354 123.005 119.600 0.086 0.000 4.981 99 M HA 0.226 4.736 4.480 0.049 0.000 0.584 99 M C -2.777 173.520 176.300 -0.006 0.000 2.270 99 M CA -1.041 54.292 55.300 0.055 0.000 0.414 99 M CB 1.655 34.262 32.600 0.012 0.000 1.445 99 M HN 0.431 nan 8.290 nan 0.000 0.634 100 P HA 0.110 nan 4.420 nan 0.000 0.260 100 P C 1.063 178.343 177.300 -0.033 0.000 1.185 100 P CA 1.534 64.655 63.100 0.036 0.000 0.763 100 P CB 0.572 32.330 31.700 0.096 0.000 0.776 101 G N 3.249 112.019 108.800 -0.051 0.000 2.259 101 G HA2 -0.227 3.762 3.960 0.049 0.000 0.217 101 G HA3 -0.227 3.762 3.960 0.049 0.000 0.217 101 G C 0.655 175.559 174.900 0.006 0.000 1.001 101 G CA -0.081 44.927 45.100 -0.154 0.000 0.627 101 G HN 0.453 nan 8.290 nan 0.000 0.501 102 M N 0.492 120.014 119.600 -0.131 0.000 2.356 102 M HA 0.483 4.993 4.480 0.049 0.000 0.262 102 M C 0.786 177.048 176.300 -0.063 0.000 1.097 102 M CA 0.452 55.652 55.300 -0.166 0.000 0.991 102 M CB -0.093 32.209 32.600 -0.497 0.000 1.450 102 M HN 0.198 nan 8.290 nan 0.000 0.495 103 M N 0.800 120.389 119.600 -0.017 0.000 2.310 103 M HA 0.337 4.846 4.480 0.049 0.000 0.241 103 M C -0.679 175.611 176.300 -0.016 0.000 1.162 103 M CA -0.301 54.996 55.300 -0.005 0.000 0.958 103 M CB 0.100 32.701 32.600 0.001 0.000 1.348 103 M HN -0.029 nan 8.290 nan 0.000 0.541 104 D N -0.548 119.837 120.400 -0.025 0.000 2.757 104 D HA 0.497 5.166 4.640 0.049 0.000 0.249 104 D C -0.893 175.371 176.300 -0.060 0.000 1.168 104 D CA -0.367 53.600 54.000 -0.056 0.000 0.870 104 D CB 1.771 42.526 40.800 -0.075 0.000 1.411 104 D HN 0.489 nan 8.370 nan 0.000 0.525 105 T N 1.914 116.426 114.554 -0.069 0.000 3.187 105 T HA 0.417 4.797 4.350 0.049 0.000 0.328 105 T C -1.183 173.475 174.700 -0.071 0.000 0.951 105 T CA -0.526 61.538 62.100 -0.059 0.000 1.049 105 T CB -0.208 68.638 68.868 -0.038 0.000 1.015 105 T HN 0.259 nan 8.240 nan 0.000 0.461 106 I N 5.775 126.299 120.570 -0.077 0.000 2.416 106 I HA 0.356 4.555 4.170 0.049 0.000 0.288 106 I C 0.684 176.813 176.117 0.020 0.000 1.051 106 I CA -0.387 60.861 61.300 -0.086 0.000 1.375 106 I CB 0.788 38.692 38.000 -0.159 0.000 1.407 106 I HN 0.486 nan 8.210 nan 0.000 0.516 107 L N 5.263 126.508 121.223 0.037 0.000 2.543 107 L HA 0.262 4.631 4.340 0.049 0.000 0.231 107 L C 0.831 177.884 176.870 0.305 0.000 1.194 107 L CA -0.798 54.116 54.840 0.123 0.000 0.823 107 L CB 0.042 42.160 42.059 0.097 0.000 1.374 107 L HN 0.635 nan 8.230 nan 0.000 0.507 108 N N 1.667 120.534 118.700 0.278 0.000 2.828 108 N HA -0.232 4.537 4.740 0.049 0.000 0.277 108 N C -0.578 175.148 175.510 0.359 0.000 0.971 108 N CA 0.667 53.912 53.050 0.325 0.000 0.861 108 N CB -1.204 37.506 38.487 0.373 0.000 0.925 108 N HN 0.412 nan 8.380 nan 0.000 0.585 109 L N -1.200 120.239 121.223 0.360 0.000 2.421 109 L HA 0.539 4.909 4.340 0.049 0.000 0.263 109 L C 1.282 178.159 176.870 0.011 0.000 1.122 109 L CA 0.380 55.380 54.840 0.267 0.000 0.804 109 L CB 0.853 43.322 42.059 0.683 0.000 1.150 109 L HN 0.445 nan 8.230 nan 0.000 0.457 110 G N 3.111 111.748 108.800 -0.271 0.000 2.131 110 G HA2 -0.193 3.797 3.960 0.049 0.000 0.223 110 G HA3 -0.193 3.797 3.960 0.049 0.000 0.223 110 G C -0.322 174.257 174.900 -0.535 0.000 0.990 110 G CA 0.027 44.796 45.100 -0.551 0.000 0.671 110 G HN 0.466 nan 8.290 nan 0.000 0.521 111 L N 0.514 121.453 121.223 -0.475 0.000 2.344 111 L HA 0.679 5.048 4.340 0.049 0.000 0.272 111 L C 0.293 177.131 176.870 -0.053 0.000 1.035 111 L CA -0.497 54.193 54.840 -0.250 0.000 0.807 111 L CB 1.656 43.692 42.059 -0.039 0.000 1.237 111 L HN 0.606 nan 8.230 nan 0.000 0.442 112 N N -1.076 117.635 118.700 0.019 0.000 2.927 112 N HA 0.151 4.920 4.740 0.049 0.000 0.248 112 N C -0.306 174.952 175.510 -0.420 0.000 1.443 112 N CA -0.738 52.316 53.050 0.005 0.000 0.870 112 N CB 0.553 39.000 38.487 -0.066 0.000 1.444 112 N HN 0.325 nan 8.380 nan 0.000 0.519 113 D N -0.422 119.803 120.400 -0.292 0.000 2.221 113 D HA -0.094 4.576 4.640 0.049 0.000 0.204 113 D C 1.338 177.483 176.300 -0.259 0.000 0.982 113 D CA 1.269 55.078 54.000 -0.320 0.000 0.857 113 D CB 0.173 40.908 40.800 -0.109 0.000 0.934 113 D HN 0.319 nan 8.370 nan 0.000 0.475 114 V N 1.536 121.329 119.914 -0.202 0.000 2.300 114 V HA -0.085 4.064 4.120 0.049 0.000 0.241 114 V C 2.561 178.526 176.094 -0.214 0.000 1.034 114 V CA 1.511 63.710 62.300 -0.168 0.000 1.021 114 V CB -0.802 30.950 31.823 -0.119 0.000 0.662 114 V HN 0.125 nan 8.190 nan 0.000 0.458 115 A N -0.470 122.210 122.820 -0.232 0.000 2.125 115 A HA -0.110 4.240 4.320 0.049 0.000 0.219 115 A C 2.346 179.759 177.584 -0.286 0.000 1.156 115 A CA 1.646 53.539 52.037 -0.240 0.000 0.671 115 A CB -0.565 18.289 19.000 -0.245 0.000 0.794 115 A HN 0.308 nan 8.150 nan 0.000 0.459 116 V N -0.284 119.357 119.914 -0.456 0.000 2.283 116 V HA -0.171 3.978 4.120 0.049 0.000 0.243 116 V C 2.399 178.127 176.094 -0.612 0.000 1.039 116 V CA 2.390 64.311 62.300 -0.631 0.000 1.016 116 V CB -0.406 30.732 31.823 -1.142 0.000 0.650 116 V HN 0.576 nan 8.190 nan 0.000 0.449 117 E N 0.297 120.162 120.200 -0.557 0.000 2.058 117 E HA -0.180 4.199 4.350 0.049 0.000 0.194 117 E C 2.139 178.615 176.600 -0.206 0.000 0.997 117 E CA 1.590 57.785 56.400 -0.343 0.000 0.801 117 E CB -0.862 28.726 29.700 -0.187 0.000 0.746 117 E HN 0.691 nan 8.360 nan 0.000 0.450 118 G N 0.226 108.922 108.800 -0.175 0.000 2.462 118 G HA2 -0.247 3.742 3.960 0.049 0.000 0.220 118 G HA3 -0.247 3.742 3.960 0.049 0.000 0.220 118 G C 1.325 176.204 174.900 -0.034 0.000 1.121 118 G CA 0.387 45.425 45.100 -0.103 0.000 0.758 118 G HN 0.197 nan 8.290 nan 0.000 0.559 119 F N 2.081 121.862 119.950 -0.281 0.000 2.317 119 F HA 0.376 4.932 4.527 0.049 0.000 0.293 119 F C 2.634 178.275 175.800 -0.265 0.000 1.085 119 F CA 0.101 57.932 58.000 -0.282 0.000 1.390 119 F CB -0.652 38.119 39.000 -0.382 0.000 1.077 119 F HN 0.223 nan 8.300 nan 0.000 0.517 120 A N 0.901 123.560 122.820 -0.267 0.000 1.884 120 A HA -0.306 4.043 4.320 0.049 0.000 0.219 120 A C 2.242 179.729 177.584 -0.161 0.000 1.197 120 A CA 2.617 54.478 52.037 -0.293 0.000 0.637 120 A CB -0.775 18.067 19.000 -0.263 0.000 0.827 120 A HN 0.446 nan 8.150 nan 0.000 0.450 121 K N -0.623 119.721 120.400 -0.093 0.000 2.076 121 K HA -0.040 4.310 4.320 0.049 0.000 0.204 121 K C 2.211 178.797 176.600 -0.023 0.000 1.051 121 K CA 1.143 57.401 56.287 -0.049 0.000 0.949 121 K CB -0.104 32.373 32.500 -0.038 0.000 0.726 121 K HN 0.333 nan 8.250 nan 0.000 0.443 122 K N 0.884 121.292 120.400 0.013 0.000 2.097 122 K HA -0.083 4.267 4.320 0.049 0.000 0.205 122 K C 1.559 178.201 176.600 0.071 0.000 1.050 122 K CA 1.527 57.855 56.287 0.069 0.000 0.938 122 K CB -0.128 32.471 32.500 0.164 0.000 0.718 122 K HN 0.002 nan 8.250 nan 0.000 0.442 123 T N 0.056 114.606 114.554 -0.007 0.000 3.169 123 T HA 0.127 4.507 4.350 0.049 0.000 0.250 123 T C 0.429 175.075 174.700 -0.090 0.000 1.111 123 T CA 0.724 62.755 62.100 -0.115 0.000 1.010 123 T CB -0.467 68.014 68.868 -0.643 0.000 0.984 123 T HN 0.544 nan 8.240 nan 0.000 0.537 124 G N 2.799 111.561 108.800 -0.063 0.000 2.421 124 G HA2 -0.274 3.715 3.960 0.049 0.000 0.300 124 G HA3 -0.274 3.715 3.960 0.049 0.000 0.300 124 G C 0.046 174.916 174.900 -0.049 0.000 0.974 124 G CA 0.510 45.583 45.100 -0.045 0.000 1.062 124 G HN 0.601 nan 8.290 nan 0.000 0.514 125 N N -0.970 117.685 118.700 -0.074 0.000 3.987 125 N HA 0.143 4.912 4.740 0.049 0.000 0.170 125 N C -1.936 173.526 175.510 -0.079 0.000 1.436 125 N CA -0.785 52.238 53.050 -0.044 0.000 0.843 125 N CB 0.703 39.193 38.487 0.004 0.000 1.734 125 N HN -0.058 nan 8.380 nan 0.000 0.746 126 P HA -0.060 nan 4.420 nan 0.000 0.225 126 P C 1.285 178.686 177.300 0.169 0.000 1.148 126 P CA 0.769 63.930 63.100 0.101 0.000 0.779 126 P CB 0.489 32.307 31.700 0.196 0.000 0.780 127 R N -1.122 119.422 120.500 0.073 0.000 2.090 127 R HA -0.116 4.254 4.340 0.049 0.000 0.228 127 R C 2.100 178.466 176.300 0.110 0.000 1.110 127 R CA 0.989 57.134 56.100 0.075 0.000 0.973 127 R CB -0.818 29.512 30.300 0.049 0.000 0.869 127 R HN 0.038 nan 8.270 nan 0.000 0.440 128 F N 0.958 120.852 119.950 -0.094 0.000 1.999 128 F HA 0.036 4.592 4.527 0.049 0.000 0.293 128 F C 2.032 177.723 175.800 -0.183 0.000 1.173 128 F CA 1.500 59.404 58.000 -0.161 0.000 1.162 128 F CB -1.220 37.608 39.000 -0.285 0.000 0.981 128 F HN 0.039 nan 8.300 nan 0.000 0.479 129 A N -0.675 121.350 122.820 -1.325 0.000 1.997 129 A HA -0.250 4.099 4.320 0.049 0.000 0.221 129 A C 2.161 179.487 177.584 -0.429 0.000 1.172 129 A CA 2.043 53.344 52.037 -1.226 0.000 0.645 129 A CB -1.685 16.567 19.000 -1.247 0.000 0.813 129 A HN 0.678 nan 8.150 nan 0.000 0.454 130 Y N -0.361 119.773 120.300 -0.277 0.000 2.153 130 Y HA -0.135 4.444 4.550 0.049 0.000 0.289 130 Y C 2.303 178.196 175.900 -0.012 0.000 1.127 130 Y CA 1.596 59.629 58.100 -0.113 0.000 1.131 130 Y CB -0.671 37.717 38.460 -0.119 0.000 0.995 130 Y HN 0.567 nan 8.280 nan 0.000 0.505 131 D N -0.579 119.915 120.400 0.158 0.000 2.172 131 D HA -0.214 4.456 4.640 0.049 0.000 0.196 131 D C 1.878 178.271 176.300 0.155 0.000 0.999 131 D CA 2.153 56.231 54.000 0.129 0.000 0.856 131 D CB -0.178 40.706 40.800 0.140 0.000 0.934 131 D HN 0.233 nan 8.370 nan 0.000 0.453 132 S N -1.295 114.488 115.700 0.137 0.000 2.368 132 S HA -0.168 4.331 4.470 0.049 0.000 0.225 132 S C 1.741 176.482 174.600 0.235 0.000 1.030 132 S CA 0.974 59.291 58.200 0.194 0.000 0.999 132 S CB -0.730 62.545 63.200 0.126 0.000 0.844 132 S HN 0.468 nan 8.310 nan 0.000 0.459 133 Y N 3.379 123.707 120.300 0.046 0.000 2.314 133 Y HA -0.153 4.427 4.550 0.049 0.000 0.293 133 Y C 2.348 178.309 175.900 0.102 0.000 1.129 133 Y CA 1.539 59.672 58.100 0.055 0.000 1.201 133 Y CB -0.162 38.281 38.460 -0.029 0.000 0.999 133 Y HN 0.218 nan 8.280 nan 0.000 0.541 134 R N -0.318 120.302 120.500 0.201 0.000 2.115 134 R HA -0.094 4.276 4.340 0.049 0.000 0.230 134 R C 1.952 178.332 176.300 0.134 0.000 1.111 134 R CA 1.393 57.525 56.100 0.053 0.000 0.976 134 R CB -0.648 29.570 30.300 -0.136 0.000 0.870 134 R HN 0.039 nan 8.270 nan 0.000 0.445 135 R N 0.370 120.965 120.500 0.158 0.000 2.088 135 R HA -0.032 4.337 4.340 0.049 0.000 0.232 135 R C 1.978 178.383 176.300 0.175 0.000 1.136 135 R CA 2.088 58.297 56.100 0.182 0.000 0.926 135 R CB -1.077 29.339 30.300 0.194 0.000 0.837 135 R HN 0.348 nan 8.270 nan 0.000 0.429 136 F N 0.732 120.699 119.950 0.028 0.000 2.120 136 F HA -0.263 4.293 4.527 0.049 0.000 0.300 136 F C 1.892 177.725 175.800 0.054 0.000 1.095 136 F CA 1.534 59.545 58.000 0.018 0.000 1.249 136 F CB -0.225 38.751 39.000 -0.041 0.000 0.995 136 F HN 0.018 nan 8.300 nan 0.000 0.480 137 I N 0.481 121.075 120.570 0.041 0.000 2.087 137 I HA -0.423 3.776 4.170 0.049 0.000 0.240 137 I C 2.732 179.081 176.117 0.386 0.000 1.054 137 I CA 2.083 63.315 61.300 -0.113 0.000 1.311 137 I CB -0.835 37.064 38.000 -0.169 0.000 1.024 137 I HN 0.381 nan 8.210 nan 0.000 0.402 138 Q N 1.207 121.221 119.800 0.357 0.000 1.985 138 Q HA -0.281 4.089 4.340 0.049 0.000 0.207 138 Q C 2.259 178.045 176.000 -0.357 0.000 0.996 138 Q CA 2.239 57.901 55.803 -0.235 0.000 0.851 138 Q CB -0.329 28.484 28.738 0.124 0.000 0.921 138 Q HN 0.456 nan 8.270 nan 0.000 0.418 139 M N -0.428 119.057 119.600 -0.191 0.000 3.138 139 M HA -0.293 4.217 4.480 0.049 0.000 0.280 139 M C 2.219 178.314 176.300 -0.343 0.000 1.053 139 M CA 2.442 57.593 55.300 -0.249 0.000 1.065 139 M CB -1.188 31.294 32.600 -0.196 0.000 1.207 139 M HN 0.345 nan 8.290 nan 0.000 0.551 140 Y N 0.497 120.432 120.300 -0.607 0.000 2.100 140 Y HA -0.423 4.157 4.550 0.049 0.000 0.267 140 Y C 2.883 178.478 175.900 -0.509 0.000 1.250 140 Y CA 2.628 60.338 58.100 -0.650 0.000 1.105 140 Y CB -0.788 37.109 38.460 -0.939 0.000 0.924 140 Y HN 0.345 nan 8.280 nan 0.000 0.508 141 S N -0.648 114.814 115.700 -0.398 0.000 2.343 141 S HA -0.255 4.245 4.470 0.049 0.000 0.219 141 S C 2.077 176.480 174.600 -0.327 0.000 1.033 141 S CA 1.515 59.464 58.200 -0.419 0.000 1.014 141 S CB -0.924 62.059 63.200 -0.362 0.000 0.915 141 S HN 0.750 nan 8.310 nan 0.000 0.435 142 D N 0.123 120.303 120.400 -0.366 0.000 2.126 142 D HA -0.130 4.540 4.640 0.049 0.000 0.190 142 D C 2.037 178.190 176.300 -0.245 0.000 1.001 142 D CA 1.830 55.648 54.000 -0.303 0.000 0.841 142 D CB -0.218 40.389 40.800 -0.321 0.000 0.949 142 D HN 0.332 nan 8.370 nan 0.000 0.446 143 V N 0.918 120.661 119.914 -0.285 0.000 2.223 143 V HA -0.225 3.924 4.120 0.049 0.000 0.244 143 V C 2.542 178.493 176.094 -0.238 0.000 1.045 143 V CA 1.362 63.512 62.300 -0.249 0.000 1.000 143 V CB -0.534 31.134 31.823 -0.257 0.000 0.635 143 V HN 0.118 nan 8.190 nan 0.000 0.445 144 V N 1.182 120.887 119.914 -0.347 0.000 3.546 144 V HA -0.056 4.093 4.120 0.049 0.000 0.272 144 V C 1.070 177.063 176.094 -0.168 0.000 1.228 144 V CA 0.407 62.526 62.300 -0.303 0.000 1.184 144 V CB -1.748 29.760 31.823 -0.524 0.000 0.886 144 V HN 0.773 nan 8.190 nan 0.000 0.508 145 M N 1.987 121.500 119.600 -0.145 0.000 4.037 145 M HA -0.250 4.260 4.480 0.049 0.000 0.157 145 M C 0.370 176.667 176.300 -0.005 0.000 1.531 145 M CA 1.015 56.271 55.300 -0.074 0.000 1.094 145 M CB -0.423 32.149 32.600 -0.046 0.000 1.346 145 M HN 0.411 nan 8.290 nan 0.000 0.202 146 E N 3.297 123.529 120.200 0.054 0.000 2.673 146 E HA 0.393 4.773 4.350 0.049 0.000 0.215 146 E C -0.621 176.129 176.600 0.251 0.000 0.935 146 E CA 0.519 57.038 56.400 0.199 0.000 1.341 146 E CB 0.639 30.619 29.700 0.466 0.000 1.277 146 E HN 0.600 nan 8.360 nan 0.000 0.667 147 V N 1.300 121.325 119.914 0.184 0.000 3.077 147 V HA 0.377 4.526 4.120 0.049 0.000 0.299 147 V C -2.927 173.235 176.094 0.113 0.000 1.276 147 V CA -2.048 60.419 62.300 0.278 0.000 0.993 147 V CB 2.370 34.530 31.823 0.563 0.000 1.076 147 V HN -0.145 nan 8.190 nan 0.000 0.434 148 P HA 0.294 nan 4.420 nan 0.000 0.293 148 P C 0.568 177.807 177.300 -0.101 0.000 1.300 148 P CA -0.550 62.495 63.100 -0.091 0.000 0.792 148 P CB 1.326 32.892 31.700 -0.223 0.000 0.925 149 K N 2.821 123.165 120.400 -0.093 0.000 2.163 149 K HA -0.278 4.072 4.320 0.049 0.000 0.210 149 K C 1.313 177.936 176.600 0.037 0.000 1.048 149 K CA 2.549 58.812 56.287 -0.041 0.000 0.928 149 K CB -0.801 31.659 32.500 -0.067 0.000 0.716 149 K HN 0.307 nan 8.250 nan 0.000 0.459 150 S N 0.916 116.552 115.700 -0.107 0.000 2.429 150 S HA -0.289 4.211 4.470 0.049 0.000 0.251 150 S C 1.642 176.212 174.600 -0.050 0.000 1.104 150 S CA 1.813 59.926 58.200 -0.145 0.000 1.130 150 S CB -1.097 61.898 63.200 -0.343 0.000 1.000 150 S HN 0.493 nan 8.310 nan 0.000 0.449 151 H N 0.916 120.049 119.070 0.105 0.000 2.524 151 H HA 0.010 4.595 4.556 0.049 0.000 0.301 151 H C 2.054 177.373 175.328 -0.014 0.000 1.033 151 H CA 1.372 57.451 56.048 0.051 0.000 1.179 151 H CB -1.341 28.459 29.762 0.064 0.000 1.446 151 H HN 0.444 nan 8.280 nan 0.000 0.617 152 F N 1.378 121.249 119.950 -0.132 0.000 2.063 152 F HA -0.307 4.249 4.527 0.049 0.000 0.296 152 F C 2.790 178.635 175.800 0.075 0.000 1.093 152 F CA 1.679 59.452 58.000 -0.379 0.000 1.229 152 F CB -0.278 38.570 39.000 -0.252 0.000 0.971 152 F HN 0.205 nan 8.300 nan 0.000 0.491 153 E N 0.894 121.264 120.200 0.282 0.000 2.013 153 E HA -0.238 4.141 4.350 0.049 0.000 0.202 153 E C 2.069 178.761 176.600 0.153 0.000 1.018 153 E CA 1.630 58.147 56.400 0.195 0.000 0.834 153 E CB -0.494 29.276 29.700 0.117 0.000 0.770 153 E HN 0.387 nan 8.360 nan 0.000 0.459 154 K N 0.068 120.536 120.400 0.113 0.000 2.293 154 K HA -0.145 4.204 4.320 0.049 0.000 0.204 154 K C 2.114 178.770 176.600 0.094 0.000 1.045 154 K CA 1.287 57.626 56.287 0.087 0.000 0.933 154 K CB -0.190 32.359 32.500 0.083 0.000 0.736 154 K HN 0.288 nan 8.250 nan 0.000 0.463 155 I N -0.891 119.763 120.570 0.139 0.000 3.081 155 I HA -0.075 4.125 4.170 0.049 0.000 0.274 155 I C 2.017 178.283 176.117 0.248 0.000 1.178 155 I CA 0.254 61.672 61.300 0.197 0.000 1.460 155 I CB -0.186 37.963 38.000 0.249 0.000 1.137 155 I HN -0.006 nan 8.210 nan 0.000 0.443 156 I N 1.679 122.453 120.570 0.339 0.000 2.090 156 I HA -0.304 3.895 4.170 0.049 0.000 0.236 156 I C 2.483 178.645 176.117 0.076 0.000 1.064 156 I CA 1.929 63.345 61.300 0.193 0.000 1.324 156 I CB -0.466 37.689 38.000 0.258 0.000 1.044 156 I HN 0.293 nan 8.210 nan 0.000 0.399 157 D N 1.267 121.708 120.400 0.068 0.000 2.269 157 D HA -0.285 4.385 4.640 0.049 0.000 0.191 157 D C 2.054 178.338 176.300 -0.027 0.000 1.007 157 D CA 2.496 56.491 54.000 -0.008 0.000 0.855 157 D CB -0.197 40.603 40.800 0.001 0.000 0.979 157 D HN 0.331 nan 8.370 nan 0.000 0.452 158 A N 0.597 123.421 122.820 0.007 0.000 1.873 158 A HA -0.230 4.119 4.320 0.049 0.000 0.218 158 A C 2.448 180.026 177.584 -0.011 0.000 1.193 158 A CA 2.587 54.623 52.037 -0.001 0.000 0.629 158 A CB -0.852 18.158 19.000 0.017 0.000 0.826 158 A HN 0.440 nan 8.150 nan 0.000 0.447 159 M N 0.298 119.901 119.600 0.005 0.000 2.147 159 M HA -0.297 4.213 4.480 0.049 0.000 0.253 159 M C 2.181 178.462 176.300 -0.031 0.000 1.075 159 M CA 2.809 58.103 55.300 -0.010 0.000 1.085 159 M CB -0.652 31.942 32.600 -0.010 0.000 1.305 159 M HN 0.724 nan 8.290 nan 0.000 0.409 160 K N -1.488 118.882 120.400 -0.049 0.000 2.186 160 K HA -0.027 4.322 4.320 0.049 0.000 0.202 160 K C 0.984 177.538 176.600 -0.078 0.000 1.052 160 K CA 0.654 56.900 56.287 -0.069 0.000 0.965 160 K CB -0.360 32.073 32.500 -0.111 0.000 0.746 160 K HN 0.125 nan 8.250 nan 0.000 0.457 161 E N 1.576 121.728 120.200 -0.080 0.000 2.705 161 E HA -0.050 4.330 4.350 0.049 0.000 0.272 161 E C 0.069 176.641 176.600 -0.046 0.000 1.528 161 E CA 0.434 56.789 56.400 -0.075 0.000 1.750 161 E CB 0.271 29.923 29.700 -0.080 0.000 1.439 161 E HN 0.648 nan 8.360 nan 0.000 0.449 162 E N -1.036 119.140 120.200 -0.041 0.000 1.669 162 E HA -0.014 4.366 4.350 0.049 0.000 0.205 162 E C 0.702 177.287 176.600 -0.025 0.000 0.997 162 E CA 0.016 56.399 56.400 -0.028 0.000 1.175 162 E CB -0.067 29.621 29.700 -0.020 0.000 4.216 162 E HN -0.027 nan 8.360 nan 0.000 0.831 163 K N 0.198 120.581 120.400 -0.028 0.000 2.211 163 K HA 0.303 4.653 4.320 0.049 0.000 0.201 163 K C 1.388 177.979 176.600 -0.016 0.000 1.052 163 K CA 0.975 57.250 56.287 -0.020 0.000 0.973 163 K CB 0.863 33.350 32.500 -0.020 0.000 0.766 163 K HN 0.255 nan 8.250 nan 0.000 0.466 164 G N 0.679 109.464 108.800 -0.025 0.000 2.796 164 G HA2 -0.217 3.772 3.960 0.049 0.000 0.198 164 G HA3 -0.217 3.772 3.960 0.049 0.000 0.198 164 G C 0.070 174.959 174.900 -0.018 0.000 1.062 164 G CA -0.291 44.797 45.100 -0.019 0.000 0.752 164 G HN 0.018 nan 8.290 nan 0.000 0.487 165 V N 3.768 123.685 119.914 0.005 0.000 2.982 165 V HA -0.189 3.960 4.120 0.049 0.000 0.290 165 V C 2.048 178.167 176.094 0.041 0.000 1.233 165 V CA 1.456 63.780 62.300 0.040 0.000 1.336 165 V CB 0.095 31.930 31.823 0.020 0.000 0.813 165 V HN 0.544 nan 8.190 nan 0.000 0.460 166 H N 3.722 122.827 119.070 0.058 0.000 2.289 166 H HA -0.102 4.484 4.556 0.049 0.000 0.294 166 H C 0.502 175.938 175.328 0.180 0.000 1.095 166 H CA 2.381 58.499 56.048 0.117 0.000 1.256 166 H CB 0.282 30.133 29.762 0.149 0.000 1.359 166 H HN 0.532 nan 8.280 nan 0.000 0.487 167 F N -1.404 118.629 119.950 0.139 0.000 2.713 167 F HA 0.073 4.629 4.527 0.049 0.000 0.311 167 F C 0.421 176.261 175.800 0.067 0.000 1.141 167 F CA -0.895 57.157 58.000 0.086 0.000 0.939 167 F CB 1.274 40.333 39.000 0.099 0.000 1.325 167 F HN -0.163 nan 8.300 nan 0.000 0.453 168 D N -0.469 120.120 120.400 0.315 0.000 2.191 168 D HA -0.230 4.439 4.640 0.049 0.000 0.190 168 D C 1.936 178.339 176.300 0.171 0.000 1.007 168 D CA 2.311 56.428 54.000 0.195 0.000 0.865 168 D CB -0.827 40.092 40.800 0.200 0.000 0.929 168 D HN 0.560 nan 8.370 nan 0.000 0.447 169 T N 0.111 114.786 114.554 0.203 0.000 2.896 169 T HA -0.184 4.195 4.350 0.049 0.000 0.270 169 T C 0.534 175.294 174.700 0.100 0.000 1.104 169 T CA 1.782 63.961 62.100 0.131 0.000 1.115 169 T CB -0.392 68.537 68.868 0.102 0.000 0.843 169 T HN 0.375 nan 8.240 nan 0.000 0.523 170 D N -0.573 119.893 120.400 0.109 0.000 2.379 170 D HA 0.195 4.865 4.640 0.049 0.000 0.208 170 D C 0.395 176.724 176.300 0.049 0.000 1.065 170 D CA -0.187 53.858 54.000 0.076 0.000 0.848 170 D CB -0.114 40.736 40.800 0.083 0.000 0.949 170 D HN 0.344 nan 8.370 nan 0.000 0.509 171 L N 1.986 123.236 121.223 0.045 0.000 2.490 171 L HA 0.156 4.525 4.340 0.049 0.000 0.274 171 L C 1.142 178.013 176.870 0.001 0.000 1.201 171 L CA -0.111 54.736 54.840 0.011 0.000 0.869 171 L CB 0.632 42.687 42.059 -0.007 0.000 1.123 171 L HN 0.181 nan 8.230 nan 0.000 0.484 172 T N -0.261 114.279 114.554 -0.022 0.000 2.824 172 T HA 0.379 4.758 4.350 0.049 0.000 0.277 172 T C 1.169 175.824 174.700 -0.074 0.000 0.975 172 T CA -0.229 61.849 62.100 -0.036 0.000 0.966 172 T CB 1.441 70.284 68.868 -0.041 0.000 1.054 172 T HN 0.622 nan 8.240 nan 0.000 0.533 173 A N 0.342 123.113 122.820 -0.082 0.000 2.024 173 A HA -0.046 4.303 4.320 0.049 0.000 0.220 173 A C 1.823 179.242 177.584 -0.275 0.000 1.164 173 A CA 1.950 53.898 52.037 -0.148 0.000 0.643 173 A CB -1.114 17.834 19.000 -0.087 0.000 0.806 173 A HN 0.933 nan 8.150 nan 0.000 0.451 174 D N -0.393 119.895 120.400 -0.186 0.000 2.214 174 D HA 0.012 4.682 4.640 0.049 0.000 0.217 174 D C 1.410 177.601 176.300 -0.181 0.000 0.973 174 D CA 1.289 55.176 54.000 -0.188 0.000 0.880 174 D CB -0.191 40.538 40.800 -0.118 0.000 1.031 174 D HN 0.479 nan 8.370 nan 0.000 0.468 175 D N 0.191 120.512 120.400 -0.131 0.000 2.104 175 D HA -0.125 4.544 4.640 0.049 0.000 0.194 175 D C 1.976 178.190 176.300 -0.143 0.000 0.994 175 D CA 0.685 54.617 54.000 -0.113 0.000 0.830 175 D CB -0.118 40.637 40.800 -0.075 0.000 0.959 175 D HN 0.118 nan 8.370 nan 0.000 0.452 176 L N 0.825 121.957 121.223 -0.153 0.000 1.933 176 L HA -0.258 4.111 4.340 0.049 0.000 0.220 176 L C 2.481 179.216 176.870 -0.225 0.000 1.078 176 L CA 1.528 56.269 54.840 -0.165 0.000 0.773 176 L CB -0.663 41.330 42.059 -0.110 0.000 0.890 176 L HN 0.019 nan 8.230 nan 0.000 0.434 177 K N 0.120 120.295 120.400 -0.376 0.000 2.189 177 K HA -0.314 4.036 4.320 0.049 0.000 0.207 177 K C 1.946 178.402 176.600 -0.240 0.000 1.046 177 K CA 2.220 58.216 56.287 -0.485 0.000 0.928 177 K CB -0.063 31.832 32.500 -1.007 0.000 0.720 177 K HN 0.266 nan 8.250 nan 0.000 0.458 178 E N 1.076 121.156 120.200 -0.201 0.000 2.047 178 E HA -0.173 4.207 4.350 0.049 0.000 0.191 178 E C 1.991 178.523 176.600 -0.113 0.000 0.987 178 E CA 1.110 57.435 56.400 -0.125 0.000 0.799 178 E CB -0.471 29.167 29.700 -0.103 0.000 0.752 178 E HN 0.295 nan 8.360 nan 0.000 0.449 179 L N 1.119 122.231 121.223 -0.185 0.000 1.933 179 L HA -0.116 4.254 4.340 0.049 0.000 0.220 179 L C 2.170 178.794 176.870 -0.410 0.000 1.078 179 L CA 2.814 57.449 54.840 -0.342 0.000 0.773 179 L CB -1.246 40.516 42.059 -0.494 0.000 0.890 179 L HN 0.202 nan 8.230 nan 0.000 0.434 180 A N -1.298 121.319 122.820 -0.337 0.000 2.276 180 A HA -0.152 4.197 4.320 0.049 0.000 0.205 180 A C 2.087 179.729 177.584 0.098 0.000 1.234 180 A CA 1.388 53.373 52.037 -0.087 0.000 0.797 180 A CB -0.833 18.240 19.000 0.122 0.000 0.769 180 A HN 0.723 nan 8.150 nan 0.000 0.491 181 E N 0.120 120.345 120.200 0.043 0.000 2.228 181 E HA -0.037 4.342 4.350 0.049 0.000 0.197 181 E C 1.811 178.465 176.600 0.091 0.000 0.909 181 E CA 0.835 57.274 56.400 0.065 0.000 0.911 181 E CB -0.229 29.474 29.700 0.006 0.000 0.887 181 E HN 0.578 nan 8.360 nan 0.000 0.481 182 K N -0.488 119.969 120.400 0.095 0.000 2.365 182 K HA -0.041 4.308 4.320 0.049 0.000 0.199 182 K C 1.744 178.449 176.600 0.174 0.000 1.045 182 K CA 0.465 56.819 56.287 0.111 0.000 0.962 182 K CB -0.098 32.460 32.500 0.096 0.000 0.759 182 K HN -0.016 nan 8.250 nan 0.000 0.469 183 F N 2.261 122.145 119.950 -0.109 0.000 2.186 183 F HA -0.097 4.460 4.527 0.049 0.000 0.299 183 F C 1.950 177.714 175.800 -0.059 0.000 1.090 183 F CA 1.323 59.203 58.000 -0.201 0.000 1.307 183 F CB -0.289 38.635 39.000 -0.128 0.000 1.019 183 F HN 0.089 nan 8.300 nan 0.000 0.489 184 K N -0.110 120.413 120.400 0.205 0.000 2.097 184 K HA 0.006 4.356 4.320 0.049 0.000 0.205 184 K C 2.074 178.820 176.600 0.243 0.000 1.050 184 K CA 1.405 57.845 56.287 0.254 0.000 0.938 184 K CB -0.707 31.912 32.500 0.198 0.000 0.718 184 K HN 0.116 nan 8.250 nan 0.000 0.442 185 A N 1.490 124.382 122.820 0.119 0.000 2.067 185 A HA 0.019 4.368 4.320 0.049 0.000 0.217 185 A C 2.223 179.795 177.584 -0.021 0.000 1.156 185 A CA 0.704 52.771 52.037 0.050 0.000 0.683 185 A CB -0.304 18.711 19.000 0.024 0.000 0.808 185 A HN 0.180 nan 8.150 nan 0.000 0.455 186 V N -1.323 118.532 119.914 -0.098 0.000 2.809 186 V HA -0.167 3.982 4.120 0.049 0.000 0.256 186 V C 1.964 178.009 176.094 -0.082 0.000 1.080 186 V CA 1.932 64.073 62.300 -0.264 0.000 1.102 186 V CB -0.582 30.844 31.823 -0.661 0.000 0.705 186 V HN 0.737 nan 8.190 nan 0.000 0.475 187 Y N 0.589 120.897 120.300 0.014 0.000 2.365 187 Y HA -0.042 4.537 4.550 0.049 0.000 0.293 187 Y C 2.408 178.396 175.900 0.147 0.000 1.119 187 Y CA 1.932 60.181 58.100 0.249 0.000 1.203 187 Y CB 0.094 38.894 38.460 0.567 0.000 1.026 187 Y HN 0.256 nan 8.280 nan 0.000 0.549 188 K N 1.058 121.430 120.400 -0.047 0.000 1.973 188 K HA -0.231 4.119 4.320 0.049 0.000 0.210 188 K C 2.105 178.621 176.600 -0.139 0.000 1.045 188 K CA 2.036 58.244 56.287 -0.132 0.000 0.937 188 K CB -0.380 32.112 32.500 -0.013 0.000 0.721 188 K HN 0.580 nan 8.250 nan 0.000 0.438 189 E N 0.234 120.374 120.200 -0.099 0.000 2.086 189 E HA -0.286 4.093 4.350 0.049 0.000 0.205 189 E C 1.826 178.361 176.600 -0.108 0.000 1.027 189 E CA 1.603 57.942 56.400 -0.102 0.000 0.830 189 E CB -0.566 29.059 29.700 -0.124 0.000 0.751 189 E HN 0.386 nan 8.360 nan 0.000 0.456 190 A N 0.904 123.652 122.820 -0.119 0.000 2.119 190 A HA 0.020 4.369 4.320 0.049 0.000 0.217 190 A C 1.406 178.940 177.584 -0.083 0.000 1.153 190 A CA 0.682 52.677 52.037 -0.070 0.000 0.692 190 A CB -0.139 18.857 19.000 -0.006 0.000 0.799 190 A HN 0.185 nan 8.150 nan 0.000 0.458 191 M N -0.861 118.633 119.600 -0.177 0.000 2.649 191 M HA 0.175 4.684 4.480 0.049 0.000 0.294 191 M C 0.640 176.861 176.300 -0.132 0.000 1.206 191 M CA -0.368 54.809 55.300 -0.204 0.000 0.928 191 M CB 0.852 33.193 32.600 -0.432 0.000 1.571 191 M HN 0.479 nan 8.290 nan 0.000 0.501 192 N N -0.967 117.674 118.700 -0.098 0.000 2.362 192 N HA 0.267 5.037 4.740 0.049 0.000 0.204 192 N C 0.390 175.868 175.510 -0.054 0.000 1.166 192 N CA 0.410 53.425 53.050 -0.059 0.000 0.831 192 N CB 0.107 38.574 38.487 -0.033 0.000 1.008 192 N HN 0.944 nan 8.380 nan 0.000 0.472 193 G N -0.314 108.438 108.800 -0.081 0.000 2.580 193 G HA2 -0.196 3.794 3.960 0.049 0.000 0.204 193 G HA3 -0.196 3.794 3.960 0.049 0.000 0.204 193 G C -0.955 173.927 174.900 -0.030 0.000 1.107 193 G CA -0.609 44.461 45.100 -0.049 0.000 0.881 193 G HN 0.349 nan 8.290 nan 0.000 0.497 194 E N 0.175 120.337 120.200 -0.064 0.000 2.179 194 E HA 0.416 4.795 4.350 0.049 0.000 0.275 194 E C 0.238 176.904 176.600 0.109 0.000 0.945 194 E CA -0.847 55.563 56.400 0.016 0.000 0.792 194 E CB 1.393 31.112 29.700 0.032 0.000 1.125 194 E HN 0.351 nan 8.360 nan 0.000 0.397 195 E N 3.220 123.509 120.200 0.148 0.000 2.406 195 E HA -0.077 4.303 4.350 0.049 0.000 0.258 195 E C -0.643 176.170 176.600 0.355 0.000 1.043 195 E CA -0.059 56.473 56.400 0.219 0.000 0.929 195 E CB -0.135 29.655 29.700 0.151 0.000 0.969 195 E HN 0.277 nan 8.360 nan 0.000 0.462 196 F N 8.478 128.658 119.950 0.384 0.000 2.452 196 F HA 0.073 4.630 4.527 0.049 0.000 0.358 196 F C -1.535 174.304 175.800 0.066 0.000 1.141 196 F CA -2.099 56.103 58.000 0.336 0.000 1.004 196 F CB -0.024 39.113 39.000 0.228 0.000 1.046 196 F HN 0.526 nan 8.300 nan 0.000 0.575 197 P HA -0.285 nan 4.420 nan 0.000 0.026 197 P C 0.160 177.468 177.300 0.012 0.000 0.537 197 P CA 0.914 63.996 63.100 -0.030 0.000 1.025 197 P CB -0.352 31.137 31.700 -0.351 0.000 1.852 198 Q N -0.634 119.215 119.800 0.082 0.000 2.437 198 Q HA -0.077 4.293 4.340 0.049 0.000 0.210 198 Q C 0.895 176.875 176.000 -0.033 0.000 0.972 198 Q CA 0.625 56.452 55.803 0.039 0.000 0.903 198 Q CB 0.245 29.027 28.738 0.073 0.000 0.967 198 Q HN 0.502 nan 8.270 nan 0.000 0.486 199 E N 1.240 121.430 120.200 -0.016 0.000 2.152 199 E HA 0.062 4.441 4.350 0.049 0.000 0.285 199 E C -1.907 174.660 176.600 -0.056 0.000 1.043 199 E CA -2.254 54.126 56.400 -0.033 0.000 0.839 199 E CB 1.325 31.037 29.700 0.020 0.000 1.069 199 E HN -0.061 nan 8.360 nan 0.000 0.399 200 P HA -0.147 nan 4.420 nan 0.000 0.218 200 P C 0.167 177.577 177.300 0.184 0.000 1.146 200 P CA 1.318 64.287 63.100 -0.218 0.000 0.813 200 P CB 0.230 31.328 31.700 -1.004 0.000 0.778 201 K N -0.458 120.030 120.400 0.148 0.000 3.165 201 K HA 0.036 4.386 4.320 0.049 0.000 0.270 201 K C -0.056 176.680 176.600 0.228 0.000 1.111 201 K CA 0.285 56.700 56.287 0.213 0.000 1.216 201 K CB -0.016 32.619 32.500 0.225 0.000 1.229 201 K HN 0.039 nan 8.250 nan 0.000 0.435 202 D N -0.945 119.571 120.400 0.193 0.000 2.006 202 D HA -0.034 4.635 4.640 0.049 0.000 0.470 202 D C 1.251 177.658 176.300 0.179 0.000 0.943 202 D CA 0.315 54.415 54.000 0.167 0.000 0.970 202 D CB 0.541 41.402 40.800 0.102 0.000 1.599 202 D HN 0.072 nan 8.370 nan 0.000 0.516 203 Q N 0.542 120.435 119.800 0.156 0.000 2.033 203 Q HA 0.067 4.436 4.340 0.049 0.000 0.196 203 Q C 2.126 178.467 176.000 0.567 0.000 0.970 203 Q CA 0.518 56.447 55.803 0.210 0.000 0.828 203 Q CB 0.420 29.256 28.738 0.162 0.000 0.895 203 Q HN 0.218 nan 8.270 nan 0.000 0.440 204 L N 0.772 122.243 121.223 0.413 0.000 1.952 204 L HA -0.288 4.082 4.340 0.049 0.000 0.231 204 L C 2.424 179.448 176.870 0.257 0.000 1.088 204 L CA 1.577 56.609 54.840 0.320 0.000 0.802 204 L CB -0.262 41.936 42.059 0.231 0.000 0.903 204 L HN 0.271 nan 8.230 nan 0.000 0.439 205 M N -0.349 119.417 119.600 0.278 0.000 2.149 205 M HA -0.132 4.378 4.480 0.049 0.000 0.261 205 M C 2.257 178.668 176.300 0.185 0.000 1.064 205 M CA 1.670 57.107 55.300 0.228 0.000 1.102 205 M CB -2.308 30.441 32.600 0.248 0.000 1.369 205 M HN 0.502 nan 8.290 nan 0.000 0.408 206 G N -0.587 108.363 108.800 0.251 0.000 2.501 206 G HA2 0.050 4.039 3.960 0.049 0.000 0.220 206 G HA3 0.050 4.039 3.960 0.049 0.000 0.220 206 G C 1.552 176.473 174.900 0.036 0.000 1.114 206 G CA 1.178 46.418 45.100 0.234 0.000 0.757 206 G HN 0.575 nan 8.290 nan 0.000 0.559 207 A N -0.618 122.215 122.820 0.021 0.000 1.988 207 A HA 0.427 4.777 4.320 0.049 0.000 0.201 207 A C 2.339 179.839 177.584 -0.139 0.000 1.410 207 A CA 0.866 52.816 52.037 -0.145 0.000 0.832 207 A CB -0.191 18.721 19.000 -0.147 0.000 0.981 207 A HN 0.101 nan 8.150 nan 0.000 0.492 208 V N 1.920 121.767 119.914 -0.112 0.000 2.324 208 V HA -0.342 3.807 4.120 0.049 0.000 0.250 208 V C 2.683 178.579 176.094 -0.329 0.000 1.060 208 V CA 2.799 64.929 62.300 -0.284 0.000 1.042 208 V CB -0.769 30.892 31.823 -0.270 0.000 0.650 208 V HN 0.863 nan 8.190 nan 0.000 0.450 209 K N 1.880 122.216 120.400 -0.107 0.000 2.097 209 K HA -0.023 4.327 4.320 0.049 0.000 0.205 209 K C 1.794 178.323 176.600 -0.119 0.000 1.050 209 K CA 1.911 58.171 56.287 -0.045 0.000 0.938 209 K CB -0.662 31.951 32.500 0.189 0.000 0.718 209 K HN 0.317 nan 8.250 nan 0.000 0.442 210 A N 0.630 123.388 122.820 -0.103 0.000 2.239 210 A HA 0.141 4.491 4.320 0.049 0.000 0.209 210 A C 1.683 179.207 177.584 -0.100 0.000 1.171 210 A CA 0.657 52.629 52.037 -0.108 0.000 0.768 210 A CB -0.329 18.571 19.000 -0.167 0.000 0.790 210 A HN 0.165 nan 8.150 nan 0.000 0.478 211 V N -1.904 117.939 119.914 -0.117 0.000 2.695 211 V HA 0.059 4.208 4.120 0.049 0.000 0.230 211 V C 1.445 177.569 176.094 0.050 0.000 1.110 211 V CA 0.399 62.657 62.300 -0.070 0.000 1.159 211 V CB -0.941 30.779 31.823 -0.172 0.000 0.875 211 V HN 0.456 nan 8.190 nan 0.000 0.502 212 F N 1.634 121.468 119.950 -0.193 0.000 2.668 212 F HA 0.005 4.562 4.527 0.049 0.000 0.293 212 F C 2.021 177.594 175.800 -0.379 0.000 1.258 212 F CA 1.021 58.846 58.000 -0.291 0.000 1.480 212 F CB -0.838 37.920 39.000 -0.404 0.000 1.122 212 F HN 0.175 nan 8.300 nan 0.000 0.611 213 R N -1.041 119.458 120.500 -0.001 0.000 2.636 213 R HA 0.020 4.390 4.340 0.049 0.000 0.259 213 R C 1.698 178.118 176.300 0.200 0.000 0.970 213 R CA 1.043 57.188 56.100 0.074 0.000 1.107 213 R CB -0.039 30.210 30.300 -0.085 0.000 1.687 213 R HN 0.192 nan 8.270 nan 0.000 0.527 214 S N 0.197 115.982 115.700 0.141 0.000 2.355 214 S HA -0.132 4.367 4.470 0.049 0.000 0.222 214 S C 1.597 176.321 174.600 0.208 0.000 1.031 214 S CA 0.931 59.211 58.200 0.134 0.000 0.993 214 S CB -0.710 62.528 63.200 0.064 0.000 0.859 214 S HN 0.381 nan 8.310 nan 0.000 0.453 215 W N 2.807 124.128 121.300 0.036 0.000 2.256 215 W HA -0.291 4.400 4.660 0.051 0.000 0.341 215 W C 1.486 177.992 176.519 -0.021 0.000 1.372 215 W CA 2.079 59.425 57.345 0.002 0.000 1.342 215 W CB -1.009 28.448 29.460 -0.005 0.000 1.107 215 W HN 0.297 nan 8.180 nan 0.000 0.474 216 D N -0.386 120.130 120.400 0.193 0.000 2.379 216 D HA -0.057 4.612 4.640 0.049 0.000 0.243 216 D C -0.043 176.279 176.300 0.038 0.000 1.088 216 D CA 0.398 54.408 54.000 0.017 0.000 0.925 216 D CB -0.901 39.925 40.800 0.044 0.000 0.888 216 D HN 0.332 nan 8.370 nan 0.000 0.529 217 N N -1.161 117.564 118.700 0.041 0.000 2.489 217 N HA 0.220 4.989 4.740 0.049 0.000 0.284 217 N C -1.848 173.652 175.510 -0.016 0.000 1.158 217 N CA -1.289 51.778 53.050 0.029 0.000 0.965 217 N CB 1.593 40.107 38.487 0.045 0.000 1.195 217 N HN -0.358 nan 8.380 nan 0.000 0.506 218 P HA -0.316 nan 4.420 nan 0.000 0.214 218 P C 0.941 178.226 177.300 -0.025 0.000 1.099 218 P CA 1.866 64.957 63.100 -0.015 0.000 0.976 218 P CB 0.065 31.765 31.700 0.001 0.000 0.774 219 R N -0.937 119.557 120.500 -0.011 0.000 2.091 219 R HA -0.052 4.317 4.340 0.049 0.000 0.238 219 R C 2.339 178.633 176.300 -0.009 0.000 1.136 219 R CA 1.874 57.974 56.100 -0.000 0.000 0.959 219 R CB -1.994 28.314 30.300 0.014 0.000 0.856 219 R HN 0.246 nan 8.270 nan 0.000 0.437 220 A N 1.436 124.229 122.820 -0.046 0.000 1.902 220 A HA -0.117 4.233 4.320 0.049 0.000 0.217 220 A C 2.218 179.696 177.584 -0.176 0.000 1.181 220 A CA 1.120 53.097 52.037 -0.099 0.000 0.623 220 A CB -0.378 18.560 19.000 -0.104 0.000 0.818 220 A HN 0.086 nan 8.150 nan 0.000 0.443 221 I N -0.054 120.405 120.570 -0.184 0.000 2.179 221 I HA -0.186 4.013 4.170 0.049 0.000 0.242 221 I C 2.553 178.569 176.117 -0.170 0.000 1.088 221 I CA 1.259 62.427 61.300 -0.220 0.000 1.357 221 I CB -1.215 36.686 38.000 -0.165 0.000 1.051 221 I HN 0.151 nan 8.210 nan 0.000 0.409 222 V N 0.173 120.018 119.914 -0.114 0.000 2.332 222 V HA -0.322 3.828 4.120 0.049 0.000 0.248 222 V C 2.312 178.324 176.094 -0.137 0.000 1.055 222 V CA 1.956 64.178 62.300 -0.131 0.000 1.038 222 V CB -0.869 30.901 31.823 -0.090 0.000 0.651 222 V HN 0.368 nan 8.190 nan 0.000 0.450 223 Y N 0.985 121.174 120.300 -0.185 0.000 2.138 223 Y HA -0.100 4.480 4.550 0.049 0.000 0.286 223 Y C 2.842 178.635 175.900 -0.179 0.000 1.115 223 Y CA 2.018 60.022 58.100 -0.160 0.000 1.105 223 Y CB -0.429 37.972 38.460 -0.099 0.000 1.004 223 Y HN -0.009 nan 8.280 nan 0.000 0.494 224 R N 1.133 121.740 120.500 0.178 0.000 2.117 224 R HA -0.207 4.162 4.340 0.049 0.000 0.243 224 R C 2.404 178.587 176.300 -0.195 0.000 1.143 224 R CA 1.466 57.557 56.100 -0.014 0.000 0.968 224 R CB -0.429 29.753 30.300 -0.196 0.000 0.863 224 R HN 0.331 nan 8.270 nan 0.000 0.444 225 R N 0.973 121.334 120.500 -0.233 0.000 2.151 225 R HA -0.181 4.188 4.340 0.049 0.000 0.220 225 R C 2.247 178.386 176.300 -0.268 0.000 1.120 225 R CA 2.002 57.943 56.100 -0.265 0.000 0.882 225 R CB -1.016 29.116 30.300 -0.280 0.000 0.806 225 R HN 0.336 nan 8.270 nan 0.000 0.440 226 M N 1.182 120.600 119.600 -0.304 0.000 2.252 226 M HA -0.233 4.277 4.480 0.049 0.000 0.255 226 M C 1.100 177.231 176.300 -0.282 0.000 1.085 226 M CA 1.812 56.926 55.300 -0.311 0.000 1.059 226 M CB -0.304 32.069 32.600 -0.379 0.000 1.375 226 M HN 0.283 nan 8.290 nan 0.000 0.409 227 N N 0.520 119.043 118.700 -0.295 0.000 2.434 227 N HA -0.060 4.709 4.740 0.049 0.000 0.196 227 N C -0.617 174.799 175.510 -0.157 0.000 1.183 227 N CA 0.514 53.418 53.050 -0.243 0.000 0.849 227 N CB 0.037 38.395 38.487 -0.214 0.000 0.992 227 N HN 0.345 nan 8.380 nan 0.000 0.460 228 D N 0.174 120.465 120.400 -0.181 0.000 2.981 228 D HA -0.164 4.506 4.640 0.049 0.000 0.223 228 D C -0.153 176.007 176.300 -0.234 0.000 1.151 228 D CA 0.761 54.660 54.000 -0.169 0.000 0.827 228 D CB -1.417 39.320 40.800 -0.105 0.000 1.101 228 D HN 0.419 nan 8.370 nan 0.000 0.426 229 I N 0.011 120.394 120.570 -0.311 0.000 2.707 229 I HA 0.471 4.670 4.170 0.049 0.000 0.309 229 I C -2.163 173.584 176.117 -0.617 0.000 1.001 229 I CA -1.857 59.114 61.300 -0.549 0.000 1.129 229 I CB 2.082 39.867 38.000 -0.358 0.000 1.308 229 I HN -0.270 nan 8.210 nan 0.000 0.466 230 P HA 0.277 nan 4.420 nan 0.000 0.294 230 P C 0.092 177.056 177.300 -0.561 0.000 1.325 230 P CA -0.497 62.203 63.100 -0.667 0.000 0.978 230 P CB 1.642 32.967 31.700 -0.625 0.000 1.288 231 G N 0.235 108.788 108.800 -0.412 0.000 2.920 231 G HA2 -0.069 3.920 3.960 0.049 0.000 0.208 231 G HA3 -0.069 3.920 3.960 0.049 0.000 0.208 231 G C 0.103 175.058 174.900 0.091 0.000 1.159 231 G CA 0.079 44.917 45.100 -0.436 0.000 0.784 231 G HN 0.380 nan 8.290 nan 0.000 0.535 232 D N -0.358 120.091 120.400 0.082 0.000 2.363 232 D HA 0.033 4.702 4.640 0.049 0.000 0.226 232 D C 0.916 177.521 176.300 0.507 0.000 1.020 232 D CA 0.015 54.159 54.000 0.240 0.000 0.892 232 D CB 0.293 41.204 40.800 0.186 0.000 0.900 232 D HN 0.341 nan 8.370 nan 0.000 0.531 233 W N 1.186 122.715 121.300 0.381 0.000 1.877 233 W HA 0.709 5.399 4.660 0.050 0.000 0.645 233 W C 1.008 177.457 176.519 -0.118 0.000 1.412 233 W CA -0.510 56.969 57.345 0.224 0.000 0.998 233 W CB -0.767 28.832 29.460 0.231 0.000 3.511 233 W HN -0.094 nan 8.180 nan 0.000 0.755 234 G N -1.115 107.497 108.800 -0.313 0.000 2.451 234 G HA2 0.443 4.432 3.960 0.049 0.000 0.292 234 G HA3 0.443 4.432 3.960 0.049 0.000 0.292 234 G C -1.706 172.509 174.900 -1.141 0.000 1.427 234 G CA -0.815 43.567 45.100 -1.196 0.000 0.792 234 G HN 0.090 nan 8.290 nan 0.000 0.498 235 T N 0.220 114.121 114.554 -1.088 0.000 2.907 235 T HA 0.756 5.136 4.350 0.049 0.000 0.284 235 T C 0.449 175.091 174.700 -0.097 0.000 1.004 235 T CA 0.449 62.228 62.100 -0.535 0.000 1.063 235 T CB 1.578 70.249 68.868 -0.328 0.000 0.992 235 T HN 1.264 nan 8.240 nan 0.000 0.483 236 A N 1.234 124.077 122.820 0.038 0.000 2.344 236 A HA 0.906 5.255 4.320 0.049 0.000 0.307 236 A C -0.886 176.791 177.584 0.155 0.000 1.151 236 A CA -0.848 51.304 52.037 0.192 0.000 0.842 236 A CB 1.659 20.703 19.000 0.073 0.000 1.350 236 A HN 0.886 nan 8.150 nan 0.000 0.459 237 V N 1.518 121.495 119.914 0.105 0.000 2.614 237 V HA 0.332 4.482 4.120 0.049 0.000 0.281 237 V C -1.652 174.407 176.094 -0.058 0.000 1.031 237 V CA -0.783 61.489 62.300 -0.045 0.000 0.899 237 V CB 0.947 32.650 31.823 -0.201 0.000 1.037 237 V HN 0.935 nan 8.190 nan 0.000 0.456 238 N N 5.455 124.139 118.700 -0.026 0.000 2.442 238 N HA 0.536 5.306 4.740 0.049 0.000 0.265 238 N C -0.529 174.846 175.510 -0.225 0.000 1.138 238 N CA -0.445 52.592 53.050 -0.022 0.000 0.956 238 N CB 1.713 40.331 38.487 0.218 0.000 1.067 238 N HN 0.460 nan 8.380 nan 0.000 0.474 239 V N 1.255 120.777 119.914 -0.653 0.000 2.547 239 V HA 0.544 4.693 4.120 0.049 0.000 0.299 239 V C 0.025 175.685 176.094 -0.724 0.000 1.040 239 V CA -0.744 61.111 62.300 -0.741 0.000 0.913 239 V CB 0.895 32.180 31.823 -0.897 0.000 0.992 239 V HN 0.866 nan 8.190 nan 0.000 0.449 240 Q N 1.338 120.936 119.800 -0.336 0.000 2.590 240 Q HA 0.607 4.976 4.340 0.049 0.000 0.295 240 Q C -0.559 175.374 176.000 -0.111 0.000 0.973 240 Q CA -1.026 54.651 55.803 -0.211 0.000 0.768 240 Q CB 1.551 30.232 28.738 -0.096 0.000 1.479 240 Q HN 0.672 nan 8.270 nan 0.000 0.419 241 T N -0.097 114.404 114.554 -0.089 0.000 2.795 241 T HA 0.253 4.633 4.350 0.049 0.000 0.314 241 T C 0.450 175.060 174.700 -0.149 0.000 1.069 241 T CA -0.521 61.524 62.100 -0.092 0.000 1.071 241 T CB 0.189 68.997 68.868 -0.100 0.000 0.988 241 T HN 0.462 nan 8.240 nan 0.000 0.543 242 M N 1.883 121.353 119.600 -0.217 0.000 2.288 242 M HA 0.512 5.022 4.480 0.049 0.000 0.334 242 M C -0.095 175.785 176.300 -0.701 0.000 1.150 242 M CA -1.227 53.798 55.300 -0.459 0.000 1.118 242 M CB 1.167 33.387 32.600 -0.634 0.000 1.501 242 M HN 0.756 nan 8.290 nan 0.000 0.462 243 V N 0.681 120.097 119.914 -0.829 0.000 2.709 243 V HA 0.732 4.882 4.120 0.049 0.000 0.308 243 V C -1.657 174.009 176.094 -0.714 0.000 1.062 243 V CA -0.825 61.027 62.300 -0.747 0.000 0.901 243 V CB 1.898 33.350 31.823 -0.618 0.000 1.003 243 V HN 0.605 nan 8.190 nan 0.000 0.425 244 F N 3.175 123.129 119.950 0.007 0.000 2.430 244 F HA 0.739 5.296 4.527 0.049 0.000 0.362 244 F C 1.237 177.017 175.800 -0.034 0.000 1.103 244 F CA -0.587 57.443 58.000 0.050 0.000 1.045 244 F CB 1.664 40.763 39.000 0.165 0.000 1.276 244 F HN 0.694 nan 8.300 nan 0.000 0.444 245 G N 1.493 110.363 108.800 0.116 0.000 2.848 245 G HA2 -0.151 3.839 3.960 0.049 0.000 0.208 245 G HA3 -0.151 3.839 3.960 0.049 0.000 0.208 245 G C 0.890 175.828 174.900 0.062 0.000 1.152 245 G CA 0.221 45.347 45.100 0.043 0.000 0.789 245 G HN 0.580 nan 8.290 nan 0.000 0.531 246 N N 0.117 118.900 118.700 0.137 0.000 2.236 246 N HA 0.077 4.846 4.740 0.049 0.000 0.196 246 N C 1.480 177.019 175.510 0.048 0.000 1.114 246 N CA -0.248 52.892 53.050 0.150 0.000 0.859 246 N CB 0.142 38.768 38.487 0.231 0.000 0.982 246 N HN -0.007 nan 8.380 nan 0.000 0.493 247 K N 0.847 121.122 120.400 -0.209 0.000 2.000 247 K HA -0.071 4.279 4.320 0.049 0.000 0.218 247 K C 1.183 177.633 176.600 -0.250 0.000 1.053 247 K CA 2.002 57.914 56.287 -0.624 0.000 0.946 247 K CB -0.452 31.691 32.500 -0.596 0.000 0.723 247 K HN 0.460 nan 8.250 nan 0.000 0.446 248 G N -0.451 108.278 108.800 -0.118 0.000 2.510 248 G HA2 0.135 4.124 3.960 0.049 0.000 0.277 248 G HA3 0.135 4.124 3.960 0.049 0.000 0.277 248 G C -1.249 173.638 174.900 -0.021 0.000 1.223 248 G CA -0.394 44.677 45.100 -0.048 0.000 0.887 248 G HN 0.082 nan 8.290 nan 0.000 0.485 249 E N 0.342 120.535 120.200 -0.011 0.000 2.335 249 E HA 0.335 4.715 4.350 0.049 0.000 0.191 249 E C 0.498 177.096 176.600 -0.003 0.000 1.150 249 E CA 0.612 57.013 56.400 0.001 0.000 1.001 249 E CB 0.117 29.821 29.700 0.007 0.000 1.127 249 E HN 0.282 nan 8.360 nan 0.000 0.462 250 T N -1.543 113.004 114.554 -0.012 0.000 3.502 250 T HA 0.154 4.534 4.350 0.049 0.000 0.310 250 T C -0.249 174.442 174.700 -0.015 0.000 0.902 250 T CA -0.460 61.632 62.100 -0.013 0.000 0.964 250 T CB 0.428 69.286 68.868 -0.015 0.000 1.200 250 T HN 0.088 nan 8.240 nan 0.000 0.599 251 S N 0.944 116.635 115.700 -0.015 0.000 2.647 251 S HA 0.795 5.294 4.470 0.049 0.000 0.300 251 S C -0.048 174.550 174.600 -0.004 0.000 1.129 251 S CA -0.941 57.253 58.200 -0.009 0.000 1.029 251 S CB 2.137 65.320 63.200 -0.027 0.000 1.007 251 S HN 0.490 nan 8.310 nan 0.000 0.484 252 G N 0.469 109.259 108.800 -0.016 0.000 2.619 252 G HA2 0.670 4.659 3.960 0.049 0.000 0.296 252 G HA3 0.670 4.659 3.960 0.049 0.000 0.296 252 G C -1.447 173.388 174.900 -0.108 0.000 1.334 252 G CA -0.575 44.510 45.100 -0.025 0.000 0.934 252 G HN 0.514 nan 8.290 nan 0.000 0.476 253 T N -0.143 114.336 114.554 -0.125 0.000 2.815 253 T HA 0.682 5.062 4.350 0.049 0.000 0.289 253 T C 0.076 174.555 174.700 -0.368 0.000 1.000 253 T CA -0.144 61.791 62.100 -0.275 0.000 0.958 253 T CB 1.009 69.787 68.868 -0.151 0.000 0.944 253 T HN 0.966 nan 8.240 nan 0.000 0.442 254 G N 2.193 110.421 108.800 -0.952 0.000 2.571 254 G HA2 0.637 4.627 3.960 0.049 0.000 0.304 254 G HA3 0.637 4.627 3.960 0.049 0.000 0.304 254 G C -1.224 173.242 174.900 -0.723 0.000 1.314 254 G CA -0.400 44.181 45.100 -0.864 0.000 0.975 254 G HN 0.657 nan 8.290 nan 0.000 0.485 255 V N 0.583 120.452 119.914 -0.076 0.000 2.472 255 V HA 0.840 4.989 4.120 0.049 0.000 0.290 255 V C 0.431 176.658 176.094 0.221 0.000 1.037 255 V CA 0.192 62.505 62.300 0.020 0.000 0.908 255 V CB 1.131 32.944 31.823 -0.016 0.000 0.985 255 V HN 1.301 nan 8.190 nan 0.000 0.454 256 A N 4.430 127.327 122.820 0.128 0.000 2.610 256 A HA 0.936 5.286 4.320 0.049 0.000 0.291 256 A C -1.713 175.855 177.584 -0.027 0.000 1.086 256 A CA -0.466 51.721 52.037 0.250 0.000 0.677 256 A CB 1.556 20.926 19.000 0.616 0.000 1.278 256 A HN 0.585 nan 8.150 nan 0.000 0.414 257 F N -0.388 119.744 119.950 0.303 0.000 2.591 257 F HA 0.429 4.985 4.527 0.049 0.000 0.309 257 F C 1.616 177.526 175.800 0.183 0.000 1.098 257 F CA 0.113 58.271 58.000 0.263 0.000 0.937 257 F CB 2.557 41.758 39.000 0.333 0.000 1.250 257 F HN 0.751 nan 8.300 nan 0.000 0.447 258 T N -0.962 113.776 114.554 0.306 0.000 2.821 258 T HA 0.050 4.430 4.350 0.049 0.000 0.267 258 T C 0.648 175.422 174.700 0.124 0.000 1.046 258 T CA 0.978 63.163 62.100 0.142 0.000 1.139 258 T CB -0.074 68.854 68.868 0.100 0.000 0.871 258 T HN 0.527 nan 8.240 nan 0.000 0.454 259 R N 1.555 122.131 120.500 0.127 0.000 2.502 259 R HA 0.372 4.741 4.340 0.049 0.000 0.300 259 R C -0.979 175.267 176.300 -0.090 0.000 0.984 259 R CA -0.870 55.248 56.100 0.031 0.000 0.882 259 R CB 0.959 31.264 30.300 0.008 0.000 1.180 259 R HN 0.127 nan 8.270 nan 0.000 0.444 260 N N 4.961 123.542 118.700 -0.198 0.000 2.160 260 N HA -0.075 4.694 4.740 0.049 0.000 0.283 260 N C -1.570 173.605 175.510 -0.558 0.000 1.363 260 N CA -0.533 52.150 53.050 -0.612 0.000 0.848 260 N CB 0.782 38.998 38.487 -0.452 0.000 1.127 260 N HN 0.394 nan 8.380 nan 0.000 0.493 261 P HA 0.037 nan 4.420 nan 0.000 0.241 261 P C 0.473 177.562 177.300 -0.352 0.000 1.191 261 P CA 0.473 63.269 63.100 -0.506 0.000 0.771 261 P CB 0.424 31.726 31.700 -0.664 0.000 0.929 262 S N -0.396 115.084 115.700 -0.367 0.000 2.412 262 S HA -0.039 4.460 4.470 0.049 0.000 0.223 262 S C 1.938 176.444 174.600 -0.157 0.000 1.048 262 S CA 1.607 59.686 58.200 -0.201 0.000 0.954 262 S CB -0.944 62.171 63.200 -0.141 0.000 0.840 262 S HN 0.341 nan 8.310 nan 0.000 0.503 263 T N -1.665 112.781 114.554 -0.179 0.000 2.983 263 T HA 0.467 4.847 4.350 0.049 0.000 0.250 263 T C 1.692 176.326 174.700 -0.110 0.000 1.037 263 T CA 1.144 63.172 62.100 -0.121 0.000 1.142 263 T CB -0.100 68.702 68.868 -0.109 0.000 0.876 263 T HN 0.606 nan 8.240 nan 0.000 0.455 264 G N 0.785 109.499 108.800 -0.143 0.000 2.316 264 G HA2 -0.182 3.808 3.960 0.049 0.000 0.203 264 G HA3 -0.182 3.808 3.960 0.049 0.000 0.203 264 G C -0.073 174.777 174.900 -0.084 0.000 0.999 264 G CA -0.151 44.888 45.100 -0.102 0.000 0.649 264 G HN 0.492 nan 8.290 nan 0.000 0.489 265 E N 1.719 121.867 120.200 -0.087 0.000 3.434 265 E HA -0.084 4.296 4.350 0.049 0.000 0.248 265 E C 0.608 177.190 176.600 -0.029 0.000 0.895 265 E CA 0.560 56.929 56.400 -0.052 0.000 0.953 265 E CB 0.380 30.048 29.700 -0.054 0.000 0.893 265 E HN 0.318 nan 8.360 nan 0.000 0.570 266 K N 2.246 122.643 120.400 -0.005 0.000 2.402 266 K HA 0.208 4.558 4.320 0.049 0.000 0.285 266 K C 0.033 176.651 176.600 0.029 0.000 1.054 266 K CA 0.477 56.771 56.287 0.012 0.000 1.001 266 K CB 0.215 32.723 32.500 0.013 0.000 0.946 266 K HN 0.696 nan 8.250 nan 0.000 0.473 267 G N 4.145 112.973 108.800 0.047 0.000 2.318 267 G HA2 0.015 4.005 3.960 0.049 0.000 0.302 267 G HA3 0.015 4.005 3.960 0.049 0.000 0.302 267 G C -0.748 174.229 174.900 0.129 0.000 1.633 267 G CA -1.025 44.121 45.100 0.077 0.000 0.965 267 G HN 0.411 nan 8.290 nan 0.000 0.698 268 I N 1.330 121.978 120.570 0.130 0.000 2.919 268 I HA 0.025 4.225 4.170 0.049 0.000 0.299 268 I C -0.000 176.301 176.117 0.308 0.000 1.221 268 I CA 0.973 62.375 61.300 0.170 0.000 1.424 268 I CB 0.038 38.077 38.000 0.066 0.000 1.358 268 I HN 0.568 nan 8.210 nan 0.000 0.551 269 Y N 5.908 126.329 120.300 0.202 0.000 2.386 269 Y HA 0.659 5.238 4.550 0.049 0.000 0.334 269 Y C -0.068 176.047 175.900 0.359 0.000 1.002 269 Y CA -0.252 57.994 58.100 0.242 0.000 1.068 269 Y CB 1.722 40.295 38.460 0.187 0.000 1.203 269 Y HN 0.715 nan 8.280 nan 0.000 0.443 270 G N 4.379 113.136 108.800 -0.072 0.000 2.321 270 G HA2 0.302 4.291 3.960 0.049 0.000 0.298 270 G HA3 0.302 4.291 3.960 0.049 0.000 0.298 270 G C -2.187 172.736 174.900 0.037 0.000 1.385 270 G CA -1.113 43.986 45.100 -0.002 0.000 0.856 270 G HN 0.540 nan 8.290 nan 0.000 0.584 271 E N -0.210 120.034 120.200 0.072 0.000 2.199 271 E HA 0.555 4.935 4.350 0.049 0.000 0.265 271 E C -1.273 175.408 176.600 0.134 0.000 0.882 271 E CA -0.831 55.591 56.400 0.037 0.000 0.759 271 E CB 2.274 31.958 29.700 -0.026 0.000 1.148 271 E HN 0.692 nan 8.360 nan 0.000 0.412 272 Y N 0.763 121.110 120.300 0.079 0.000 2.570 272 Y HA 0.769 5.349 4.550 0.049 0.000 0.345 272 Y C -1.409 174.498 175.900 0.011 0.000 1.014 272 Y CA -1.301 56.835 58.100 0.060 0.000 1.063 272 Y CB 1.472 40.050 38.460 0.196 0.000 1.272 272 Y HN 0.358 nan 8.280 nan 0.000 0.477 273 L N 3.684 125.069 121.223 0.271 0.000 2.388 273 L HA 0.458 4.827 4.340 0.049 0.000 0.264 273 L C -1.065 175.921 176.870 0.194 0.000 0.998 273 L CA -1.215 53.723 54.840 0.164 0.000 0.817 273 L CB 2.276 44.354 42.059 0.031 0.000 1.338 273 L HN 0.658 nan 8.230 nan 0.000 0.414 274 I N 2.894 123.557 120.570 0.155 0.000 2.315 274 I HA 0.130 4.329 4.170 0.049 0.000 0.291 274 I C 0.466 176.616 176.117 0.056 0.000 1.006 274 I CA 0.138 61.500 61.300 0.102 0.000 1.265 274 I CB 0.525 38.587 38.000 0.103 0.000 1.387 274 I HN 0.802 nan 8.210 nan 0.000 0.475 275 N N 4.749 123.473 118.700 0.040 0.000 2.756 275 N HA -0.183 4.586 4.740 0.049 0.000 0.248 275 N C -1.088 174.456 175.510 0.056 0.000 1.062 275 N CA 0.914 53.988 53.050 0.040 0.000 0.696 275 N CB -0.418 38.093 38.487 0.040 0.000 0.946 275 N HN 0.744 nan 8.380 nan 0.000 0.548 276 A N 0.335 123.183 122.820 0.047 0.000 2.386 276 A HA 0.713 5.063 4.320 0.049 0.000 0.308 276 A C -0.349 177.266 177.584 0.052 0.000 1.128 276 A CA -0.517 51.551 52.037 0.052 0.000 0.789 276 A CB 1.299 20.321 19.000 0.036 0.000 1.325 276 A HN 0.414 nan 8.150 nan 0.000 0.437 277 Q N 1.004 120.845 119.800 0.068 0.000 2.398 277 Q HA 0.482 4.851 4.340 0.049 0.000 0.251 277 Q C 1.032 177.046 176.000 0.023 0.000 0.999 277 Q CA 0.441 56.285 55.803 0.069 0.000 0.874 277 Q CB 0.730 29.541 28.738 0.121 0.000 1.215 277 Q HN 1.274 nan 8.270 nan 0.000 0.470 278 G N 3.526 112.312 108.800 -0.023 0.000 3.982 278 G HA2 -0.425 3.565 3.960 0.049 0.000 0.261 278 G HA3 -0.425 3.565 3.960 0.049 0.000 0.261 278 G C 0.463 175.339 174.900 -0.040 0.000 0.858 278 G CA 0.992 46.051 45.100 -0.069 0.000 0.716 278 G HN 0.792 nan 8.290 nan 0.000 1.446 279 E N 1.470 121.651 120.200 -0.032 0.000 2.404 279 E HA 0.142 4.522 4.350 0.049 0.000 0.211 279 E C 1.130 177.728 176.600 -0.003 0.000 1.289 279 E CA 1.397 57.785 56.400 -0.019 0.000 1.015 279 E CB -0.221 29.467 29.700 -0.021 0.000 0.999 279 E HN 0.750 nan 8.360 nan 0.000 0.573 280 D N -4.260 116.146 120.400 0.010 0.000 1.924 280 D HA -0.097 4.572 4.640 0.049 0.000 0.371 280 D C 1.297 177.622 176.300 0.042 0.000 1.086 280 D CA 0.506 54.523 54.000 0.028 0.000 0.982 280 D CB -0.260 40.565 40.800 0.042 0.000 1.872 280 D HN 0.059 nan 8.370 nan 0.000 0.543 281 V N 0.063 120.001 119.914 0.039 0.000 2.685 281 V HA 0.152 4.302 4.120 0.049 0.000 0.244 281 V C 2.318 178.423 176.094 0.019 0.000 1.054 281 V CA 0.749 63.074 62.300 0.043 0.000 1.076 281 V CB -0.529 31.324 31.823 0.051 0.000 0.725 281 V HN 0.171 nan 8.190 nan 0.000 0.467 282 V N 1.644 121.558 119.914 0.001 0.000 2.295 282 V HA -0.122 4.028 4.120 0.049 0.000 0.246 282 V C 2.686 178.787 176.094 0.011 0.000 1.049 282 V CA 2.110 64.405 62.300 -0.008 0.000 1.024 282 V CB -1.315 30.490 31.823 -0.031 0.000 0.648 282 V HN 0.600 nan 8.190 nan 0.000 0.447 283 A N -0.225 122.609 122.820 0.023 0.000 2.268 283 A HA 0.506 4.855 4.320 0.049 0.000 0.221 283 A C 0.961 178.577 177.584 0.055 0.000 1.287 283 A CA 0.905 52.970 52.037 0.047 0.000 0.902 283 A CB -1.067 17.965 19.000 0.054 0.000 0.877 283 A HN 1.078 nan 8.150 nan 0.000 0.487 284 G N -2.348 106.480 108.800 0.046 0.000 2.307 284 G HA2 0.429 4.419 3.960 0.049 0.000 0.348 284 G HA3 0.429 4.419 3.960 0.049 0.000 0.348 284 G C -0.386 174.556 174.900 0.071 0.000 1.603 284 G CA -0.133 45.001 45.100 0.057 0.000 0.961 284 G HN 1.450 nan 8.290 nan 0.000 0.686 285 V N 1.579 121.551 119.914 0.096 0.000 3.677 285 V HA -0.020 4.130 4.120 0.049 0.000 0.479 285 V C 0.408 176.545 176.094 0.071 0.000 0.682 285 V CA 2.303 64.703 62.300 0.166 0.000 1.977 285 V CB -0.425 31.549 31.823 0.252 0.000 2.402 285 V HN 2.381 nan 8.190 nan 0.000 0.501 286 R N 3.235 123.695 120.500 -0.067 0.000 1.741 286 R HA -0.101 4.268 4.340 0.049 0.000 0.395 286 R C 0.199 176.389 176.300 -0.184 0.000 1.102 286 R CA 0.640 56.531 56.100 -0.349 0.000 0.628 286 R CB -1.015 28.967 30.300 -0.529 0.000 2.310 286 R HN 1.053 nan 8.270 nan 0.000 0.486 287 T N 5.003 119.476 114.554 -0.136 0.000 2.419 287 T HA -0.019 4.360 4.350 0.049 0.000 0.229 287 T C -1.970 172.655 174.700 -0.125 0.000 1.095 287 T CA -0.337 61.707 62.100 -0.094 0.000 1.402 287 T CB -0.036 68.793 68.868 -0.066 0.000 1.078 287 T HN 0.252 nan 8.240 nan 0.000 0.485 288 P HA 0.151 nan 4.420 nan 0.000 0.275 288 P C -0.142 176.996 177.300 -0.271 0.000 1.276 288 P CA -0.449 62.558 63.100 -0.155 0.000 0.782 288 P CB 0.304 31.949 31.700 -0.091 0.000 0.851 289 Q N 5.454 124.972 119.800 -0.471 0.000 2.520 289 Q HA -0.018 4.351 4.340 0.049 0.000 0.320 289 Q C -1.797 173.668 176.000 -0.890 0.000 1.104 289 Q CA -1.036 54.263 55.803 -0.840 0.000 1.062 289 Q CB -0.806 27.159 28.738 -1.288 0.000 1.005 289 Q HN 0.402 nan 8.270 nan 0.000 0.390 290 P HA -0.121 nan 4.420 nan 0.000 0.260 290 P C 0.618 177.984 177.300 0.110 0.000 1.207 290 P CA 0.025 63.068 63.100 -0.095 0.000 0.780 290 P CB 0.341 32.027 31.700 -0.023 0.000 0.789 291 I N 4.805 125.564 120.570 0.314 0.000 2.292 291 I HA -0.370 3.829 4.170 0.049 0.000 0.255 291 I C 1.669 178.179 176.117 0.655 0.000 1.078 291 I CA 2.813 64.491 61.300 0.630 0.000 1.365 291 I CB -1.109 37.186 38.000 0.491 0.000 1.049 291 I HN 0.427 nan 8.210 nan 0.000 0.439 292 T N -2.502 112.312 114.554 0.434 0.000 2.904 292 T HA -0.203 4.177 4.350 0.049 0.000 0.267 292 T C 1.807 176.553 174.700 0.077 0.000 1.059 292 T CA 1.274 63.541 62.100 0.278 0.000 1.137 292 T CB -0.649 68.322 68.868 0.171 0.000 0.879 292 T HN 0.589 nan 8.240 nan 0.000 0.467 293 Q N 0.198 120.136 119.800 0.229 0.000 2.508 293 Q HA 0.175 4.545 4.340 0.049 0.000 0.214 293 Q C 1.877 178.029 176.000 0.253 0.000 0.979 293 Q CA 0.365 56.292 55.803 0.208 0.000 0.911 293 Q CB -0.491 28.378 28.738 0.219 0.000 0.969 293 Q HN 0.553 nan 8.270 nan 0.000 0.504 294 L N 0.183 121.570 121.223 0.273 0.000 2.633 294 L HA -0.145 4.225 4.340 0.049 0.000 0.235 294 L C 1.629 178.488 176.870 -0.018 0.000 1.163 294 L CA 0.655 55.501 54.840 0.011 0.000 0.859 294 L CB 0.096 42.189 42.059 0.057 0.000 0.973 294 L HN 0.266 nan 8.230 nan 0.000 0.451 295 E N -0.411 119.667 120.200 -0.203 0.000 2.102 295 E HA -0.120 4.259 4.350 0.049 0.000 0.190 295 E C 1.723 178.267 176.600 -0.093 0.000 0.971 295 E CA 0.765 57.017 56.400 -0.247 0.000 0.821 295 E CB 0.273 29.707 29.700 -0.444 0.000 0.777 295 E HN 0.365 nan 8.360 nan 0.000 0.460 296 N N 0.534 119.201 118.700 -0.054 0.000 2.216 296 N HA -0.082 4.688 4.740 0.049 0.000 0.183 296 N C 0.971 176.489 175.510 0.014 0.000 1.017 296 N CA 1.417 54.461 53.050 -0.011 0.000 0.861 296 N CB -0.086 38.408 38.487 0.011 0.000 0.986 296 N HN 0.153 nan 8.380 nan 0.000 0.428 297 D N -0.534 119.889 120.400 0.038 0.000 2.106 297 D HA 0.059 4.729 4.640 0.049 0.000 0.203 297 D C 0.444 176.743 176.300 -0.001 0.000 0.977 297 D CA 1.025 55.050 54.000 0.041 0.000 0.844 297 D CB 0.229 41.081 40.800 0.087 0.000 1.002 297 D HN 0.069 nan 8.370 nan 0.000 0.461 298 M N 0.170 119.755 119.600 -0.024 0.000 2.952 298 M HA 0.231 4.741 4.480 0.049 0.000 0.259 298 M C -2.413 173.892 176.300 0.007 0.000 1.306 298 M CA -1.552 53.736 55.300 -0.020 0.000 0.626 298 M CB 1.861 34.429 32.600 -0.053 0.000 1.423 298 M HN -0.220 nan 8.290 nan 0.000 0.459 299 P HA 0.038 nan 4.420 nan 0.000 0.299 299 P C -0.931 176.389 177.300 0.033 0.000 1.515 299 P CA 0.923 64.033 63.100 0.017 0.000 0.770 299 P CB -0.138 31.560 31.700 -0.004 0.000 1.614 300 D N -2.910 117.513 120.400 0.037 0.000 2.267 300 D HA 0.025 4.695 4.640 0.049 0.000 0.297 300 D C 1.498 177.820 176.300 0.037 0.000 1.087 300 D CA 0.016 54.036 54.000 0.032 0.000 0.864 300 D CB -0.896 39.913 40.800 0.016 0.000 1.557 300 D HN 0.056 nan 8.370 nan 0.000 0.523 301 C N 0.476 119.797 119.300 0.034 0.000 2.508 301 C HA -0.076 4.414 4.460 0.049 0.000 0.280 301 C C 2.250 177.280 174.990 0.067 0.000 1.262 301 C CA 0.491 59.519 59.018 0.017 0.000 1.706 301 C CB -0.859 26.862 27.740 -0.032 0.000 2.078 301 C HN 0.339 nan 8.230 nan 0.000 0.480 302 Y N 1.629 121.915 120.300 -0.024 0.000 2.096 302 Y HA -0.328 4.251 4.550 0.049 0.000 0.278 302 Y C 2.584 178.502 175.900 0.029 0.000 1.192 302 Y CA 2.445 60.552 58.100 0.011 0.000 1.143 302 Y CB -0.396 38.067 38.460 0.005 0.000 0.963 302 Y HN 0.306 nan 8.280 nan 0.000 0.505 303 K N -0.511 119.983 120.400 0.157 0.000 2.152 303 K HA -0.256 4.094 4.320 0.049 0.000 0.206 303 K C 2.137 178.758 176.600 0.035 0.000 1.048 303 K CA 1.350 57.684 56.287 0.078 0.000 0.933 303 K CB -0.066 32.476 32.500 0.070 0.000 0.721 303 K HN 0.289 nan 8.250 nan 0.000 0.447 304 Q N 0.464 120.296 119.800 0.053 0.000 1.856 304 Q HA -0.217 4.152 4.340 0.049 0.000 0.233 304 Q C 1.814 177.892 176.000 0.130 0.000 0.995 304 Q CA 1.661 57.512 55.803 0.079 0.000 0.877 304 Q CB -0.943 27.834 28.738 0.065 0.000 0.937 304 Q HN 0.297 nan 8.270 nan 0.000 0.423 305 F N 1.235 121.137 119.950 -0.079 0.000 2.060 305 F HA -0.370 4.186 4.527 0.049 0.000 0.293 305 F C 2.216 177.976 175.800 -0.067 0.000 1.096 305 F CA 2.029 59.973 58.000 -0.093 0.000 1.241 305 F CB -0.658 38.055 39.000 -0.478 0.000 0.959 305 F HN 0.144 nan 8.300 nan 0.000 0.499 306 M N 0.174 119.529 119.600 -0.408 0.000 2.084 306 M HA -0.228 4.282 4.480 0.049 0.000 0.259 306 M C 1.866 178.040 176.300 -0.211 0.000 1.072 306 M CA 2.251 57.311 55.300 -0.400 0.000 1.107 306 M CB -1.618 30.801 32.600 -0.302 0.000 1.299 306 M HN 0.165 nan 8.290 nan 0.000 0.413 307 D N 0.413 120.747 120.400 -0.111 0.000 2.218 307 D HA -0.082 4.588 4.640 0.049 0.000 0.204 307 D C 2.205 178.456 176.300 -0.083 0.000 0.976 307 D CA 0.939 54.895 54.000 -0.075 0.000 0.853 307 D CB -0.549 40.229 40.800 -0.037 0.000 0.939 307 D HN 0.351 nan 8.370 nan 0.000 0.481 308 L N 0.519 121.705 121.223 -0.062 0.000 2.095 308 L HA -0.025 4.344 4.340 0.049 0.000 0.204 308 L C 2.557 179.325 176.870 -0.170 0.000 1.080 308 L CA 0.933 55.723 54.840 -0.084 0.000 0.759 308 L CB -0.380 41.728 42.059 0.082 0.000 0.914 308 L HN -0.011 nan 8.230 nan 0.000 0.439 309 A N -0.290 122.416 122.820 -0.189 0.000 1.851 309 A HA -0.280 4.069 4.320 0.049 0.000 0.216 309 A C 2.193 179.687 177.584 -0.151 0.000 1.195 309 A CA 1.925 53.830 52.037 -0.220 0.000 0.622 309 A CB -0.542 18.195 19.000 -0.438 0.000 0.831 309 A HN 0.235 nan 8.150 nan 0.000 0.444 310 M N 0.138 119.643 119.600 -0.157 0.000 2.352 310 M HA -0.241 4.269 4.480 0.049 0.000 0.260 310 M C 2.081 178.308 176.300 -0.121 0.000 1.068 310 M CA 2.411 57.642 55.300 -0.114 0.000 1.082 310 M CB -1.057 31.485 32.600 -0.097 0.000 1.262 310 M HN 0.628 nan 8.290 nan 0.000 0.444 311 K N 0.424 120.748 120.400 -0.128 0.000 2.081 311 K HA -0.293 4.056 4.320 0.049 0.000 0.222 311 K C 1.720 178.200 176.600 -0.200 0.000 1.055 311 K CA 2.834 59.036 56.287 -0.142 0.000 0.954 311 K CB -0.939 31.479 32.500 -0.137 0.000 0.732 311 K HN 0.480 nan 8.250 nan 0.000 0.458 312 L N -0.157 120.947 121.223 -0.198 0.000 2.056 312 L HA -0.006 4.364 4.340 0.049 0.000 0.207 312 L C 2.607 179.337 176.870 -0.234 0.000 1.078 312 L CA 2.003 56.698 54.840 -0.241 0.000 0.749 312 L CB -1.107 41.021 42.059 0.115 0.000 0.901 312 L HN 0.335 nan 8.230 nan 0.000 0.433 313 E N 0.943 121.100 120.200 -0.071 0.000 2.136 313 E HA -0.306 4.073 4.350 0.049 0.000 0.202 313 E C 2.082 178.637 176.600 -0.075 0.000 1.019 313 E CA 2.235 58.631 56.400 -0.008 0.000 0.819 313 E CB -0.134 29.552 29.700 -0.023 0.000 0.739 313 E HN 0.609 nan 8.360 nan 0.000 0.458 314 K N -1.007 119.289 120.400 -0.174 0.000 2.067 314 K HA -0.096 4.254 4.320 0.049 0.000 0.203 314 K C 2.348 178.714 176.600 -0.391 0.000 1.048 314 K CA 0.930 57.090 56.287 -0.211 0.000 0.954 314 K CB -0.401 31.996 32.500 -0.172 0.000 0.737 314 K HN 0.298 nan 8.250 nan 0.000 0.444 315 H N -0.160 118.529 119.070 -0.635 0.000 2.496 315 H HA -0.165 4.420 4.556 0.049 0.000 0.296 315 H C 0.807 175.569 175.328 -0.944 0.000 1.107 315 H CA 1.537 57.027 56.048 -0.930 0.000 1.263 315 H CB 0.221 29.300 29.762 -1.138 0.000 1.369 315 H HN 0.140 nan 8.280 nan 0.000 0.541 316 F N -0.873 119.031 119.950 -0.078 0.000 2.740 316 F HA 0.293 4.849 4.527 0.049 0.000 0.304 316 F C 1.097 176.858 175.800 -0.064 0.000 1.098 316 F CA -0.194 57.777 58.000 -0.048 0.000 1.258 316 F CB 0.238 39.253 39.000 0.025 0.000 1.061 316 F HN -0.149 nan 8.300 nan 0.000 0.598 317 R N 1.596 122.095 120.500 -0.001 0.000 3.261 317 R HA -0.192 4.177 4.340 0.049 0.000 0.257 317 R C -1.345 174.985 176.300 0.051 0.000 1.014 317 R CA 0.762 56.858 56.100 -0.006 0.000 0.681 317 R CB -2.320 27.956 30.300 -0.039 0.000 1.155 317 R HN 0.430 nan 8.270 nan 0.000 0.424 318 D N -0.427 120.028 120.400 0.093 0.000 2.738 318 D HA 0.025 4.695 4.640 0.049 0.000 0.229 318 D C -0.263 176.114 176.300 0.128 0.000 1.200 318 D CA -0.675 53.385 54.000 0.099 0.000 0.746 318 D CB 0.816 41.675 40.800 0.099 0.000 1.597 318 D HN 0.099 nan 8.370 nan 0.000 0.471 319 M N 3.587 123.251 119.600 0.107 0.000 3.031 319 M HA -0.069 4.440 4.480 0.049 0.000 0.373 319 M C -0.654 175.759 176.300 0.189 0.000 1.815 319 M CA 0.661 56.039 55.300 0.130 0.000 1.350 319 M CB -0.450 32.210 32.600 0.100 0.000 2.030 319 M HN 0.316 nan 8.290 nan 0.000 0.474 320 Q N 3.227 123.147 119.800 0.200 0.000 2.417 320 Q HA 0.205 4.574 4.340 0.049 0.000 0.241 320 Q C -0.311 175.843 176.000 0.256 0.000 1.008 320 Q CA 0.347 56.278 55.803 0.214 0.000 0.901 320 Q CB 0.823 29.693 28.738 0.220 0.000 1.259 320 Q HN 0.638 nan 8.270 nan 0.000 0.489 321 D N 1.313 121.815 120.400 0.169 0.000 2.602 321 D HA 0.329 4.998 4.640 0.049 0.000 0.245 321 D C -1.025 175.283 176.300 0.013 0.000 1.325 321 D CA -0.589 53.403 54.000 -0.015 0.000 0.952 321 D CB 0.609 41.379 40.800 -0.051 0.000 1.317 321 D HN 0.382 nan 8.370 nan 0.000 0.577 322 M N 1.071 120.726 119.600 0.091 0.000 2.644 322 M HA 0.587 5.096 4.480 0.049 0.000 0.304 322 M C -0.783 175.627 176.300 0.184 0.000 1.215 322 M CA -0.757 54.681 55.300 0.231 0.000 0.871 322 M CB 1.391 34.307 32.600 0.527 0.000 1.740 322 M HN 0.209 nan 8.290 nan 0.000 0.464 323 E N 2.328 122.599 120.200 0.117 0.000 2.028 323 E HA 0.463 4.842 4.350 0.049 0.000 0.266 323 E C -1.424 175.112 176.600 -0.106 0.000 0.962 323 E CA -0.352 56.015 56.400 -0.056 0.000 0.784 323 E CB 0.647 30.304 29.700 -0.072 0.000 1.114 323 E HN 0.490 nan 8.360 nan 0.000 0.414 324 F N 0.213 119.975 119.950 -0.313 0.000 2.440 324 F HA 0.776 5.332 4.527 0.049 0.000 0.328 324 F C -0.074 175.485 175.800 -0.402 0.000 1.070 324 F CA -0.780 56.851 58.000 -0.615 0.000 1.011 324 F CB 1.422 39.670 39.000 -1.253 0.000 1.226 324 F HN -0.071 nan 8.300 nan 0.000 0.491 325 T N 2.894 117.232 114.554 -0.360 0.000 3.295 325 T HA 0.411 4.790 4.350 0.049 0.000 0.331 325 T C -0.797 173.889 174.700 -0.023 0.000 1.142 325 T CA -0.507 61.453 62.100 -0.234 0.000 1.078 325 T CB 1.107 69.896 68.868 -0.130 0.000 1.150 325 T HN 0.618 nan 8.240 nan 0.000 0.465 326 I N 3.143 123.694 120.570 -0.031 0.000 2.276 326 I HA 0.239 4.438 4.170 0.049 0.000 0.290 326 I C 0.976 177.139 176.117 0.077 0.000 1.109 326 I CA -0.280 61.033 61.300 0.021 0.000 1.229 326 I CB 0.440 38.426 38.000 -0.024 0.000 1.452 326 I HN 0.596 nan 8.210 nan 0.000 0.497 327 E N 8.466 128.793 120.200 0.211 0.000 1.972 327 E HA 0.009 4.388 4.350 0.049 0.000 0.292 327 E C -0.368 176.317 176.600 0.141 0.000 1.193 327 E CA 0.005 56.509 56.400 0.173 0.000 1.228 327 E CB 0.098 29.883 29.700 0.142 0.000 1.167 327 E HN 0.575 nan 8.360 nan 0.000 0.479 328 E N 1.792 122.023 120.200 0.052 0.000 6.165 328 E HA -0.195 4.184 4.350 0.049 0.000 0.190 328 E C 0.490 177.118 176.600 0.047 0.000 1.399 328 E CA 0.424 56.832 56.400 0.013 0.000 1.382 328 E CB -1.111 28.566 29.700 -0.037 0.000 0.979 328 E HN 0.938 nan 8.360 nan 0.000 0.311 329 G N 3.579 112.392 108.800 0.021 0.000 2.291 329 G HA2 -0.341 3.648 3.960 0.049 0.000 0.287 329 G HA3 -0.341 3.648 3.960 0.049 0.000 0.287 329 G C 0.144 175.050 174.900 0.009 0.000 0.998 329 G CA 1.351 46.457 45.100 0.010 0.000 0.728 329 G HN 0.292 nan 8.290 nan 0.000 0.519 330 K N -0.418 120.009 120.400 0.044 0.000 2.358 330 K HA 0.502 4.852 4.320 0.049 0.000 0.260 330 K C -0.340 176.081 176.600 -0.299 0.000 0.956 330 K CA -0.978 55.290 56.287 -0.032 0.000 0.834 330 K CB 2.170 34.799 32.500 0.215 0.000 1.102 330 K HN 0.132 nan 8.250 nan 0.000 0.431 331 L N 3.758 124.690 121.223 -0.486 0.000 2.331 331 L HA 0.273 4.642 4.340 0.049 0.000 0.278 331 L C -1.269 175.059 176.870 -0.903 0.000 1.106 331 L CA 0.040 54.580 54.840 -0.500 0.000 0.824 331 L CB 0.173 42.064 42.059 -0.280 0.000 1.142 331 L HN 0.404 nan 8.230 nan 0.000 0.443 332 Y N 4.185 124.424 120.300 -0.101 0.000 2.406 332 Y HA 0.405 4.984 4.550 0.049 0.000 0.340 332 Y C -0.811 174.989 175.900 -0.167 0.000 0.975 332 Y CA -0.631 57.444 58.100 -0.042 0.000 1.056 332 Y CB 1.314 39.762 38.460 -0.020 0.000 1.210 332 Y HN 0.332 nan 8.280 nan 0.000 0.448 333 F N 4.058 124.120 119.950 0.187 0.000 2.359 333 F HA 0.289 4.845 4.527 0.049 0.000 0.355 333 F C 1.053 176.915 175.800 0.103 0.000 1.132 333 F CA -0.408 57.683 58.000 0.151 0.000 1.246 333 F CB 0.240 39.329 39.000 0.148 0.000 1.569 333 F HN 0.534 nan 8.300 nan 0.000 0.561 334 L N 0.046 121.356 121.223 0.145 0.000 2.042 334 L HA -0.136 4.233 4.340 0.049 0.000 0.210 334 L C 1.265 178.181 176.870 0.077 0.000 1.076 334 L CA 1.382 56.276 54.840 0.090 0.000 0.749 334 L CB -0.295 41.767 42.059 0.004 0.000 0.893 334 L HN 0.493 nan 8.230 nan 0.000 0.432 335 Q N 0.008 119.860 119.800 0.086 0.000 2.565 335 Q HA 0.397 4.766 4.340 0.049 0.000 0.294 335 Q C -1.305 174.748 176.000 0.088 0.000 1.005 335 Q CA -0.229 55.602 55.803 0.047 0.000 0.771 335 Q CB 2.767 31.507 28.738 0.002 0.000 1.486 335 Q HN 0.202 nan 8.270 nan 0.000 0.422 336 T N -1.110 113.452 114.554 0.014 0.000 2.681 336 T HA 0.927 5.306 4.350 0.049 0.000 0.296 336 T C -1.114 173.550 174.700 -0.060 0.000 1.157 336 T CA -0.818 61.277 62.100 -0.010 0.000 1.025 336 T CB 1.775 70.590 68.868 -0.089 0.000 1.441 336 T HN 1.002 nan 8.240 nan 0.000 0.504 337 R N -0.370 120.081 120.500 -0.081 0.000 7.179 337 R HA 0.036 4.406 4.340 0.049 0.000 0.241 337 R C -2.107 174.195 176.300 0.003 0.000 0.872 337 R CA -0.912 55.146 56.100 -0.071 0.000 1.746 337 R CB -0.963 29.325 30.300 -0.020 0.000 1.180 337 R HN 0.668 nan 8.270 nan 0.000 0.875 338 N N 1.871 120.575 118.700 0.007 0.000 2.400 338 N HA 0.107 4.877 4.740 0.049 0.000 0.267 338 N C 0.551 176.139 175.510 0.129 0.000 1.208 338 N CA 0.677 53.781 53.050 0.089 0.000 0.951 338 N CB 1.098 39.632 38.487 0.079 0.000 1.227 338 N HN 0.700 nan 8.380 nan 0.000 0.488 339 G N 2.072 111.003 108.800 0.218 0.000 2.562 339 G HA2 -0.089 3.900 3.960 0.049 0.000 0.233 339 G HA3 -0.089 3.900 3.960 0.049 0.000 0.233 339 G C 0.375 175.383 174.900 0.180 0.000 1.266 339 G CA -0.378 44.888 45.100 0.278 0.000 0.852 339 G HN 0.413 nan 8.290 nan 0.000 0.581 340 K N 1.730 122.223 120.400 0.154 0.000 2.350 340 K HA 0.178 4.528 4.320 0.049 0.000 0.279 340 K C 0.580 177.215 176.600 0.057 0.000 1.027 340 K CA 0.115 56.460 56.287 0.097 0.000 0.969 340 K CB 1.248 33.808 32.500 0.100 0.000 0.954 340 K HN 0.483 nan 8.250 nan 0.000 0.474 341 R N 0.393 120.904 120.500 0.018 0.000 2.748 341 R HA 0.363 4.732 4.340 0.049 0.000 0.220 341 R C 0.368 176.647 176.300 -0.035 0.000 1.404 341 R CA -0.511 55.570 56.100 -0.031 0.000 1.039 341 R CB 0.232 30.509 30.300 -0.039 0.000 1.904 341 R HN 0.453 nan 8.270 nan 0.000 0.529 342 T N -0.415 114.103 114.554 -0.060 0.000 2.936 342 T HA 0.355 4.734 4.350 0.049 0.000 0.282 342 T C 1.095 175.764 174.700 -0.051 0.000 1.003 342 T CA -0.103 61.964 62.100 -0.056 0.000 1.005 342 T CB 1.605 70.427 68.868 -0.076 0.000 1.097 342 T HN 0.598 nan 8.240 nan 0.000 0.532 343 A N 1.838 124.623 122.820 -0.059 0.000 1.877 343 A HA 0.027 4.376 4.320 0.049 0.000 0.216 343 A C -0.456 177.098 177.584 -0.049 0.000 1.186 343 A CA 1.352 53.354 52.037 -0.059 0.000 0.620 343 A CB -1.617 17.326 19.000 -0.095 0.000 0.822 343 A HN 0.585 nan 8.150 nan 0.000 0.443 344 P HA -0.028 nan 4.420 nan 0.000 0.216 344 P C 1.629 178.902 177.300 -0.044 0.000 1.153 344 P CA 1.908 64.978 63.100 -0.051 0.000 0.844 344 P CB -0.148 31.514 31.700 -0.064 0.000 0.787 345 A N -0.039 122.745 122.820 -0.060 0.000 2.014 345 A HA 0.068 4.417 4.320 0.049 0.000 0.218 345 A C 2.273 179.833 177.584 -0.041 0.000 1.163 345 A CA 1.530 53.527 52.037 -0.066 0.000 0.652 345 A CB -1.413 17.519 19.000 -0.113 0.000 0.808 345 A HN 0.166 nan 8.150 nan 0.000 0.449 346 A N -0.134 122.668 122.820 -0.030 0.000 1.972 346 A HA 0.003 4.352 4.320 0.049 0.000 0.219 346 A C 2.122 179.712 177.584 0.010 0.000 1.169 346 A CA 1.333 53.366 52.037 -0.007 0.000 0.635 346 A CB -0.453 18.546 19.000 -0.002 0.000 0.810 346 A HN 0.474 nan 8.150 nan 0.000 0.446 347 L N -1.483 119.743 121.223 0.004 0.000 1.961 347 L HA -0.209 4.160 4.340 0.049 0.000 0.209 347 L C 2.824 179.703 176.870 0.015 0.000 1.075 347 L CA 1.734 56.582 54.840 0.013 0.000 0.749 347 L CB -0.672 41.391 42.059 0.007 0.000 0.890 347 L HN 0.418 nan 8.230 nan 0.000 0.433 348 Q N 0.778 120.577 119.800 -0.002 0.000 2.012 348 Q HA -0.274 4.095 4.340 0.049 0.000 0.211 348 Q C 1.947 177.957 176.000 0.017 0.000 1.009 348 Q CA 2.286 58.089 55.803 -0.001 0.000 0.866 348 Q CB -0.670 28.056 28.738 -0.021 0.000 0.945 348 Q HN 0.467 nan 8.270 nan 0.000 0.414 349 I N -0.135 120.440 120.570 0.009 0.000 2.381 349 I HA -0.349 3.851 4.170 0.049 0.000 0.255 349 I C 2.061 178.207 176.117 0.047 0.000 1.140 349 I CA 1.259 62.572 61.300 0.022 0.000 1.404 349 I CB -0.484 37.526 38.000 0.016 0.000 1.075 349 I HN 0.311 nan 8.210 nan 0.000 0.433 350 A N -0.386 122.473 122.820 0.065 0.000 1.956 350 A HA -0.070 4.280 4.320 0.049 0.000 0.212 350 A C 2.405 180.086 177.584 0.163 0.000 1.188 350 A CA 0.841 52.940 52.037 0.104 0.000 0.675 350 A CB -0.846 18.223 19.000 0.114 0.000 0.845 350 A HN 0.506 nan 8.150 nan 0.000 0.455 351 C N 0.443 119.834 119.300 0.152 0.000 2.413 351 C HA -0.139 4.350 4.460 0.049 0.000 0.277 351 C C 2.308 177.395 174.990 0.161 0.000 1.228 351 C CA 1.103 60.241 59.018 0.199 0.000 1.731 351 C CB -1.389 26.399 27.740 0.080 0.000 2.042 351 C HN 0.628 nan 8.230 nan 0.000 0.468 352 D N 1.272 121.728 120.400 0.092 0.000 2.106 352 D HA -0.134 4.536 4.640 0.049 0.000 0.191 352 D C 1.945 178.279 176.300 0.057 0.000 0.997 352 D CA 1.090 55.128 54.000 0.063 0.000 0.834 352 D CB -0.690 40.133 40.800 0.038 0.000 0.956 352 D HN 0.419 nan 8.370 nan 0.000 0.448 353 L N 0.280 121.536 121.223 0.055 0.000 2.261 353 L HA -0.140 4.229 4.340 0.049 0.000 0.216 353 L C 2.074 178.961 176.870 0.027 0.000 1.114 353 L CA 0.450 55.311 54.840 0.036 0.000 0.777 353 L CB -0.061 42.017 42.059 0.032 0.000 0.910 353 L HN 0.019 nan 8.230 nan 0.000 0.440 354 V N -1.510 118.436 119.914 0.053 0.000 2.599 354 V HA -0.139 4.011 4.120 0.049 0.000 0.245 354 V C 1.925 178.036 176.094 0.028 0.000 1.046 354 V CA 1.111 63.424 62.300 0.021 0.000 1.065 354 V CB -0.325 31.511 31.823 0.021 0.000 0.703 354 V HN 0.341 nan 8.190 nan 0.000 0.464 355 D N 0.966 121.405 120.400 0.065 0.000 2.149 355 D HA -0.170 4.500 4.640 0.049 0.000 0.198 355 D C 1.786 178.102 176.300 0.027 0.000 0.990 355 D CA 1.304 55.338 54.000 0.056 0.000 0.839 355 D CB -0.094 40.748 40.800 0.069 0.000 0.948 355 D HN 0.592 nan 8.370 nan 0.000 0.460 356 E N -0.285 119.927 120.200 0.020 0.000 2.445 356 E HA 0.235 4.614 4.350 0.049 0.000 0.189 356 E C 1.381 177.977 176.600 -0.008 0.000 1.069 356 E CA 0.283 56.687 56.400 0.005 0.000 0.871 356 E CB 0.289 29.991 29.700 0.004 0.000 0.991 356 E HN 0.254 nan 8.360 nan 0.000 0.481 357 G N 1.460 110.253 108.800 -0.011 0.000 2.302 357 G HA2 -0.443 3.546 3.960 0.049 0.000 0.263 357 G HA3 -0.443 3.546 3.960 0.049 0.000 0.263 357 G C 1.039 175.918 174.900 -0.034 0.000 0.995 357 G CA 0.809 45.894 45.100 -0.025 0.000 0.622 357 G HN 0.275 nan 8.290 nan 0.000 0.538 358 M N 0.409 119.992 119.600 -0.029 0.000 2.115 358 M HA 0.032 4.541 4.480 0.049 0.000 0.258 358 M C 1.798 178.073 176.300 -0.041 0.000 1.071 358 M CA 2.175 57.453 55.300 -0.037 0.000 1.100 358 M CB -0.373 32.209 32.600 -0.030 0.000 1.292 358 M HN 0.495 nan 8.290 nan 0.000 0.415 359 I N -1.295 119.257 120.570 -0.031 0.000 3.078 359 I HA 0.261 4.460 4.170 0.049 0.000 0.318 359 I C 0.444 176.520 176.117 -0.069 0.000 1.016 359 I CA -0.979 60.295 61.300 -0.042 0.000 1.130 359 I CB 0.932 38.917 38.000 -0.025 0.000 1.397 359 I HN 0.163 nan 8.210 nan 0.000 0.570 360 T N -1.898 112.602 114.554 -0.090 0.000 2.929 360 T HA 0.283 4.663 4.350 0.049 0.000 0.284 360 T C 0.655 175.245 174.700 -0.183 0.000 1.014 360 T CA -0.569 61.456 62.100 -0.124 0.000 1.051 360 T CB 2.143 70.950 68.868 -0.101 0.000 1.028 360 T HN 0.735 nan 8.240 nan 0.000 0.485 361 E N 0.873 120.897 120.200 -0.293 0.000 2.136 361 E HA -0.258 4.121 4.350 0.049 0.000 0.208 361 E C 1.750 178.231 176.600 -0.198 0.000 1.035 361 E CA 2.186 58.305 56.400 -0.469 0.000 0.838 361 E CB -0.217 29.236 29.700 -0.411 0.000 0.748 361 E HN 0.849 nan 8.360 nan 0.000 0.459 362 E N 0.310 120.350 120.200 -0.267 0.000 2.013 362 E HA -0.242 4.137 4.350 0.049 0.000 0.202 362 E C 2.032 178.402 176.600 -0.382 0.000 1.018 362 E CA 1.824 57.825 56.400 -0.666 0.000 0.834 362 E CB -0.227 29.246 29.700 -0.378 0.000 0.770 362 E HN 0.308 nan 8.360 nan 0.000 0.459 363 E N 0.024 120.096 120.200 -0.214 0.000 2.068 363 E HA -0.333 4.047 4.350 0.049 0.000 0.207 363 E C 2.031 178.584 176.600 -0.079 0.000 1.032 363 E CA 1.370 57.695 56.400 -0.126 0.000 0.839 363 E CB -0.344 29.305 29.700 -0.086 0.000 0.758 363 E HN 0.327 nan 8.360 nan 0.000 0.457 364 A N 0.676 123.470 122.820 -0.044 0.000 1.896 364 A HA -0.284 4.065 4.320 0.049 0.000 0.220 364 A C 2.525 180.148 177.584 0.065 0.000 1.206 364 A CA 2.189 54.259 52.037 0.054 0.000 0.647 364 A CB -1.110 17.991 19.000 0.168 0.000 0.828 364 A HN 0.171 nan 8.150 nan 0.000 0.455 365 V N -0.059 119.876 119.914 0.034 0.000 2.255 365 V HA -0.282 3.867 4.120 0.049 0.000 0.247 365 V C 2.616 178.701 176.094 -0.016 0.000 1.051 365 V CA 2.178 64.495 62.300 0.028 0.000 1.018 365 V CB -1.148 30.680 31.823 0.009 0.000 0.641 365 V HN 0.476 nan 8.190 nan 0.000 0.445 366 V N 0.233 120.103 119.914 -0.073 0.000 2.407 366 V HA -0.275 3.875 4.120 0.049 0.000 0.248 366 V C 2.446 178.528 176.094 -0.020 0.000 1.055 366 V CA 2.312 64.577 62.300 -0.058 0.000 1.049 366 V CB -1.142 30.627 31.823 -0.090 0.000 0.662 366 V HN 0.519 nan 8.190 nan 0.000 0.455 367 R N 0.047 120.540 120.500 -0.011 0.000 2.193 367 R HA -0.055 4.314 4.340 0.049 0.000 0.229 367 R C 0.582 176.895 176.300 0.023 0.000 1.110 367 R CA 0.614 56.720 56.100 0.009 0.000 0.988 367 R CB -0.223 30.086 30.300 0.016 0.000 0.871 367 R HN 0.446 nan 8.270 nan 0.000 0.458 368 I N 1.530 122.116 120.570 0.026 0.000 2.638 368 I HA -0.013 4.186 4.170 0.049 0.000 0.286 368 I C 0.569 176.701 176.117 0.025 0.000 1.088 368 I CA 0.070 61.388 61.300 0.030 0.000 1.397 368 I CB 0.986 39.009 38.000 0.037 0.000 1.414 368 I HN -0.051 nan 8.210 nan 0.000 0.566 369 E N 5.128 125.343 120.200 0.024 0.000 1.814 369 E HA 0.229 4.609 4.350 0.049 0.000 0.264 369 E C 0.979 177.590 176.600 0.019 0.000 1.179 369 E CA -0.127 56.285 56.400 0.021 0.000 0.972 369 E CB 0.497 30.208 29.700 0.018 0.000 1.077 369 E HN 0.704 nan 8.360 nan 0.000 0.417 370 A N 5.480 128.314 122.820 0.024 0.000 1.929 370 A HA -0.248 4.101 4.320 0.049 0.000 0.221 370 A C 1.971 179.571 177.584 0.028 0.000 1.211 370 A CA 1.598 53.653 52.037 0.030 0.000 0.657 370 A CB -0.236 18.784 19.000 0.032 0.000 0.827 370 A HN 0.426 nan 8.150 nan 0.000 0.462 371 K N 0.282 120.691 120.400 0.016 0.000 2.504 371 K HA -0.054 4.296 4.320 0.049 0.000 0.195 371 K C 2.065 178.665 176.600 0.000 0.000 1.036 371 K CA 1.160 57.453 56.287 0.010 0.000 0.984 371 K CB -0.255 32.243 32.500 -0.004 0.000 0.788 371 K HN 0.717 nan 8.250 nan 0.000 0.488 372 S N 0.017 115.715 115.700 -0.002 0.000 2.522 372 S HA -0.032 4.467 4.470 0.049 0.000 0.227 372 S C 1.806 176.382 174.600 -0.040 0.000 0.986 372 S CA 0.055 58.243 58.200 -0.020 0.000 0.929 372 S CB -0.056 63.134 63.200 -0.017 0.000 0.769 372 S HN 0.069 nan 8.310 nan 0.000 0.529 373 L N 3.386 124.601 121.223 -0.014 0.000 2.081 373 L HA -0.145 4.224 4.340 0.049 0.000 0.212 373 L C 2.100 178.912 176.870 -0.097 0.000 1.080 373 L CA 2.163 56.994 54.840 -0.016 0.000 0.754 373 L CB -1.956 40.138 42.059 0.059 0.000 0.893 373 L HN 0.472 nan 8.230 nan 0.000 0.433 374 D N -0.654 119.696 120.400 -0.084 0.000 2.220 374 D HA -0.282 4.388 4.640 0.049 0.000 0.198 374 D C 1.887 177.951 176.300 -0.394 0.000 1.001 374 D CA 1.339 55.257 54.000 -0.136 0.000 0.875 374 D CB -0.517 40.261 40.800 -0.036 0.000 0.921 374 D HN 0.491 nan 8.370 nan 0.000 0.454 375 Q N 0.202 119.717 119.800 -0.475 0.000 2.050 375 Q HA -0.053 4.317 4.340 0.049 0.000 0.202 375 Q C 2.543 178.080 176.000 -0.772 0.000 0.980 375 Q CA 1.003 56.252 55.803 -0.923 0.000 0.840 375 Q CB -0.386 28.120 28.738 -0.388 0.000 0.898 375 Q HN 0.348 nan 8.270 nan 0.000 0.424 376 L N 0.524 121.499 121.223 -0.413 0.000 2.151 376 L HA -0.220 4.150 4.340 0.049 0.000 0.215 376 L C 1.429 178.079 176.870 -0.366 0.000 1.084 376 L CA 1.046 55.691 54.840 -0.325 0.000 0.764 376 L CB -0.561 41.340 42.059 -0.264 0.000 0.891 376 L HN 0.252 nan 8.230 nan 0.000 0.435 377 L N -2.108 118.853 121.223 -0.437 0.000 3.034 377 L HA 0.271 4.641 4.340 0.049 0.000 0.245 377 L C 0.014 176.633 176.870 -0.419 0.000 1.295 377 L CA -0.383 54.175 54.840 -0.469 0.000 1.068 377 L CB -0.670 41.046 42.059 -0.571 0.000 1.426 377 L HN 0.095 nan 8.230 nan 0.000 0.531 378 H N 1.078 119.965 119.070 -0.305 0.000 2.511 378 H HA 0.275 4.860 4.556 0.049 0.000 0.346 378 H C -1.975 173.194 175.328 -0.264 0.000 1.128 378 H CA -2.185 53.697 56.048 -0.276 0.000 1.342 378 H CB 0.875 30.502 29.762 -0.226 0.000 1.470 378 H HN 0.028 nan 8.280 nan 0.000 0.546 379 P HA -0.056 nan 4.420 nan 0.000 0.259 379 P C -0.187 176.986 177.300 -0.212 0.000 1.211 379 P CA -0.145 62.864 63.100 -0.152 0.000 0.810 379 P CB -0.122 31.490 31.700 -0.147 0.000 0.815 380 T N 1.533 115.988 114.554 -0.166 0.000 2.748 380 T HA 0.271 4.650 4.350 0.049 0.000 0.304 380 T C 0.340 174.951 174.700 -0.148 0.000 1.041 380 T CA -0.387 61.604 62.100 -0.182 0.000 1.033 380 T CB 0.176 68.993 68.868 -0.085 0.000 0.995 380 T HN 0.038 nan 8.240 nan 0.000 0.536 381 F N 1.747 121.681 119.950 -0.026 0.000 2.396 381 F HA 0.334 4.890 4.527 0.049 0.000 0.343 381 F C 0.985 176.773 175.800 -0.021 0.000 1.104 381 F CA -1.649 56.336 58.000 -0.024 0.000 1.161 381 F CB 0.403 39.389 39.000 -0.023 0.000 1.146 381 F HN 0.571 nan 8.300 nan 0.000 0.522 382 N N 5.418 124.260 118.700 0.237 0.000 2.452 382 N HA 0.099 4.869 4.740 0.049 0.000 0.266 382 N C -1.897 173.654 175.510 0.069 0.000 1.209 382 N CA -1.699 51.415 53.050 0.107 0.000 0.929 382 N CB 0.942 39.472 38.487 0.072 0.000 1.063 382 N HN 0.128 nan 8.380 nan 0.000 0.472 383 P HA -0.179 nan 4.420 nan 0.000 0.216 383 P C 0.566 177.870 177.300 0.006 0.000 1.157 383 P CA 1.847 64.965 63.100 0.029 0.000 0.880 383 P CB -0.025 31.688 31.700 0.023 0.000 0.791 384 A N -1.251 121.572 122.820 0.005 0.000 2.209 384 A HA 0.195 4.545 4.320 0.049 0.000 0.212 384 A C 2.126 179.698 177.584 -0.020 0.000 1.158 384 A CA 1.446 53.479 52.037 -0.006 0.000 0.742 384 A CB -1.025 17.973 19.000 -0.003 0.000 0.790 384 A HN 0.234 nan 8.150 nan 0.000 0.472 385 A N -0.907 121.896 122.820 -0.029 0.000 1.920 385 A HA 0.305 4.654 4.320 0.049 0.000 0.209 385 A C 1.816 179.338 177.584 -0.104 0.000 1.229 385 A CA 0.778 52.780 52.037 -0.059 0.000 0.671 385 A CB -0.487 18.476 19.000 -0.061 0.000 0.886 385 A HN 0.331 nan 8.150 nan 0.000 0.461 386 L N 0.777 121.928 121.223 -0.120 0.000 1.978 386 L HA -0.237 4.133 4.340 0.049 0.000 0.218 386 L C 2.272 179.079 176.870 -0.105 0.000 1.075 386 L CA 2.269 57.014 54.840 -0.158 0.000 0.767 386 L CB -0.759 41.239 42.059 -0.102 0.000 0.890 386 L HN 0.380 nan 8.230 nan 0.000 0.434 387 K N -1.192 119.173 120.400 -0.059 0.000 2.160 387 K HA -0.152 4.197 4.320 0.049 0.000 0.206 387 K C 1.679 178.252 176.600 -0.044 0.000 1.047 387 K CA 1.356 57.618 56.287 -0.041 0.000 0.930 387 K CB -0.339 32.147 32.500 -0.024 0.000 0.720 387 K HN 0.419 nan 8.250 nan 0.000 0.450 388 A N 1.198 123.986 122.820 -0.053 0.000 2.251 388 A HA 0.132 4.481 4.320 0.049 0.000 0.209 388 A C 0.889 178.434 177.584 -0.066 0.000 1.187 388 A CA 0.240 52.248 52.037 -0.050 0.000 0.823 388 A CB -0.044 18.930 19.000 -0.043 0.000 0.846 388 A HN 0.248 nan 8.150 nan 0.000 0.486 389 G N 0.848 109.593 108.800 -0.092 0.000 2.338 389 G HA2 0.452 4.441 3.960 0.049 0.000 0.298 389 G HA3 0.452 4.441 3.960 0.049 0.000 0.298 389 G C -0.184 174.667 174.900 -0.081 0.000 1.140 389 G CA -0.548 44.481 45.100 -0.119 0.000 0.860 389 G HN 0.594 nan 8.290 nan 0.000 0.470 390 E N 1.554 121.721 120.200 -0.056 0.000 2.059 390 E HA 0.203 4.583 4.350 0.049 0.000 0.262 390 E C 0.196 176.775 176.600 -0.035 0.000 1.230 390 E CA -0.714 55.683 56.400 -0.004 0.000 0.951 390 E CB 0.411 30.157 29.700 0.078 0.000 1.038 390 E HN 0.184 nan 8.360 nan 0.000 0.425 391 V N 4.191 124.083 119.914 -0.037 0.000 2.655 391 V HA -0.016 4.134 4.120 0.049 0.000 0.300 391 V C 1.201 177.262 176.094 -0.056 0.000 1.044 391 V CA 0.195 62.462 62.300 -0.055 0.000 1.095 391 V CB -0.123 31.682 31.823 -0.030 0.000 0.952 391 V HN 0.890 nan 8.190 nan 0.000 0.485 392 I N 0.822 121.318 120.570 -0.123 0.000 4.228 392 I HA 0.703 4.903 4.170 0.049 0.000 0.298 392 I C 0.806 176.883 176.117 -0.066 0.000 1.206 392 I CA 0.607 61.788 61.300 -0.199 0.000 1.322 392 I CB 0.985 38.731 38.000 -0.424 0.000 1.411 392 I HN 0.704 nan 8.210 nan 0.000 0.454 393 G N 0.280 109.059 108.800 -0.035 0.000 2.870 393 G HA2 0.672 4.661 3.960 0.049 0.000 0.299 393 G HA3 0.672 4.661 3.960 0.049 0.000 0.299 393 G C -1.560 173.355 174.900 0.027 0.000 1.324 393 G CA -0.292 44.821 45.100 0.021 0.000 0.808 393 G HN 0.184 nan 8.290 nan 0.000 0.535 394 S N -3.114 112.612 115.700 0.044 0.000 2.636 394 S HA 0.830 5.329 4.470 0.049 0.000 0.268 394 S C 0.050 174.679 174.600 0.049 0.000 1.159 394 S CA 0.772 58.998 58.200 0.042 0.000 0.815 394 S CB 1.331 64.551 63.200 0.032 0.000 1.130 394 S HN 2.213 nan 8.310 nan 0.000 0.471 395 A N 0.425 123.273 122.820 0.046 0.000 3.218 395 A HA 0.552 4.902 4.320 0.049 0.000 0.123 395 A C -2.123 175.487 177.584 0.044 0.000 1.380 395 A CA -0.080 51.984 52.037 0.045 0.000 1.781 395 A CB -0.270 18.758 19.000 0.047 0.000 1.684 395 A HN 0.833 nan 8.150 nan 0.000 0.736 396 L N 1.146 122.396 121.223 0.046 0.000 2.406 396 L HA 0.619 4.989 4.340 0.049 0.000 0.272 396 L C -2.550 174.353 176.870 0.056 0.000 0.980 396 L CA -1.651 53.219 54.840 0.050 0.000 0.831 396 L CB 2.061 44.149 42.059 0.047 0.000 1.253 396 L HN 0.195 nan 8.230 nan 0.000 0.406 397 P HA 0.048 nan 4.420 nan 0.000 0.238 397 P C 0.488 177.835 177.300 0.079 0.000 1.649 397 P CA 0.244 63.383 63.100 0.064 0.000 0.960 397 P CB 0.160 31.902 31.700 0.070 0.000 1.911 398 A N 0.604 123.465 122.820 0.068 0.000 2.066 398 A HA 0.072 4.421 4.320 0.049 0.000 0.218 398 A C 0.951 178.572 177.584 0.061 0.000 1.157 398 A CA 1.088 53.171 52.037 0.077 0.000 0.670 398 A CB -0.185 18.851 19.000 0.060 0.000 0.804 398 A HN 0.433 nan 8.150 nan 0.000 0.453 399 S N -1.605 114.116 115.700 0.035 0.000 2.582 399 S HA 0.491 4.990 4.470 0.049 0.000 0.287 399 S C -3.596 171.005 174.600 0.000 0.000 1.146 399 S CA -1.324 56.883 58.200 0.011 0.000 0.941 399 S CB 1.469 64.674 63.200 0.008 0.000 1.115 399 S HN -0.055 nan 8.310 nan 0.000 0.458 400 P HA 0.551 nan 4.420 nan 0.000 0.268 400 P C 0.506 177.793 177.300 -0.021 0.000 1.204 400 P CA 0.706 63.794 63.100 -0.021 0.000 0.768 400 P CB 0.531 32.207 31.700 -0.039 0.000 0.842 401 G N 0.628 109.412 108.800 -0.028 0.000 2.350 401 G HA2 0.475 4.465 3.960 0.049 0.000 0.305 401 G HA3 0.475 4.465 3.960 0.049 0.000 0.305 401 G C -1.920 172.937 174.900 -0.071 0.000 1.479 401 G CA -0.049 45.019 45.100 -0.054 0.000 0.949 401 G HN 0.467 nan 8.290 nan 0.000 0.651 402 A N -0.196 122.507 122.820 -0.195 0.000 3.127 402 A HA 0.934 5.283 4.320 0.049 0.000 0.319 402 A C 0.428 177.608 177.584 -0.672 0.000 1.104 402 A CA 0.923 52.808 52.037 -0.252 0.000 0.802 402 A CB 0.110 18.946 19.000 -0.273 0.000 1.193 402 A HN 2.383 nan 8.150 nan 0.000 0.479 403 A N 0.896 123.615 122.820 -0.168 0.000 2.239 403 A HA 1.014 5.363 4.320 0.049 0.000 0.303 403 A C 0.387 178.121 177.584 0.251 0.000 1.114 403 A CA 0.011 51.993 52.037 -0.091 0.000 0.871 403 A CB 0.972 19.925 19.000 -0.079 0.000 1.201 403 A HN 2.466 nan 8.150 nan 0.000 0.506 404 A N -1.980 120.931 122.820 0.152 0.000 2.583 404 A HA 0.795 5.144 4.320 0.049 0.000 0.292 404 A C -0.189 177.441 177.584 0.076 0.000 1.045 404 A CA 0.298 52.448 52.037 0.188 0.000 0.672 404 A CB 0.387 19.566 19.000 0.298 0.000 1.283 404 A HN 2.798 nan 8.150 nan 0.000 0.419 405 G N 0.416 109.252 108.800 0.059 0.000 2.356 405 G HA2 0.434 4.424 3.960 0.049 0.000 0.288 405 G HA3 0.434 4.424 3.960 0.049 0.000 0.288 405 G C -1.379 173.491 174.900 -0.051 0.000 1.302 405 G CA -0.860 44.242 45.100 0.004 0.000 0.887 405 G HN 0.755 nan 8.290 nan 0.000 0.521 406 K N -0.340 119.990 120.400 -0.116 0.000 2.494 406 K HA 0.282 4.631 4.320 0.049 0.000 0.273 406 K C 0.395 176.636 176.600 -0.599 0.000 0.970 406 K CA 0.070 56.208 56.287 -0.248 0.000 0.963 406 K CB 0.979 33.363 32.500 -0.194 0.000 0.913 406 K HN 0.519 nan 8.250 nan 0.000 0.502 407 V N 4.058 123.648 119.914 -0.540 0.000 2.370 407 V HA 0.306 4.455 4.120 0.049 0.000 0.279 407 V C -0.519 174.991 176.094 -0.973 0.000 1.029 407 V CA -0.750 61.137 62.300 -0.687 0.000 0.870 407 V CB -0.092 31.537 31.823 -0.324 0.000 0.984 407 V HN 0.520 nan 8.190 nan 0.000 0.451 408 Y N 2.755 122.698 120.300 -0.596 0.000 2.485 408 Y HA 0.586 5.165 4.550 0.049 0.000 0.345 408 Y C 0.167 175.502 175.900 -0.942 0.000 0.998 408 Y CA -1.051 56.680 58.100 -0.614 0.000 1.059 408 Y CB 1.713 40.031 38.460 -0.236 0.000 1.234 408 Y HN 0.496 nan 8.280 nan 0.000 0.461 409 F N -0.588 119.400 119.950 0.063 0.000 2.678 409 F HA 0.269 4.826 4.527 0.049 0.000 0.305 409 F C 0.206 176.007 175.800 0.003 0.000 1.090 409 F CA -0.234 57.753 58.000 -0.022 0.000 1.272 409 F CB 0.568 39.561 39.000 -0.012 0.000 1.060 409 F HN 0.283 nan 8.300 nan 0.000 0.576 410 T N -0.530 114.093 114.554 0.115 0.000 2.886 410 T HA 0.546 4.925 4.350 0.049 0.000 0.292 410 T C 0.914 175.640 174.700 0.044 0.000 1.012 410 T CA -0.370 61.776 62.100 0.076 0.000 0.982 410 T CB 2.117 71.027 68.868 0.070 0.000 1.018 410 T HN -0.007 nan 8.240 nan 0.000 0.451 411 A N 1.217 124.058 122.820 0.034 0.000 1.969 411 A HA -0.050 4.300 4.320 0.049 0.000 0.218 411 A C 1.886 179.485 177.584 0.026 0.000 1.169 411 A CA 1.360 53.417 52.037 0.033 0.000 0.635 411 A CB -0.352 18.672 19.000 0.040 0.000 0.810 411 A HN 0.782 nan 8.150 nan 0.000 0.445 412 D N -0.563 119.846 120.400 0.015 0.000 2.323 412 D HA -0.035 4.634 4.640 0.049 0.000 0.209 412 D C 1.699 177.972 176.300 -0.045 0.000 0.973 412 D CA 0.683 54.680 54.000 -0.004 0.000 0.874 412 D CB -0.032 40.769 40.800 0.000 0.000 0.930 412 D HN 0.600 nan 8.370 nan 0.000 0.521 413 E N -0.405 119.760 120.200 -0.058 0.000 2.340 413 E HA 0.083 4.462 4.350 0.049 0.000 0.194 413 E C 1.736 178.151 176.600 -0.308 0.000 0.996 413 E CA 0.213 56.504 56.400 -0.181 0.000 0.869 413 E CB 0.437 30.064 29.700 -0.122 0.000 0.835 413 E HN 0.181 nan 8.360 nan 0.000 0.493 414 A N 2.858 125.651 122.820 -0.045 0.000 1.823 414 A HA -0.218 4.132 4.320 0.049 0.000 0.214 414 A C 2.144 179.745 177.584 0.028 0.000 1.225 414 A CA 1.777 53.886 52.037 0.120 0.000 0.604 414 A CB -0.512 18.550 19.000 0.103 0.000 0.878 414 A HN 0.178 nan 8.150 nan 0.000 0.450 415 K N 0.042 120.452 120.400 0.016 0.000 2.074 415 K HA -0.052 4.298 4.320 0.049 0.000 0.209 415 K C 1.625 178.220 176.600 -0.008 0.000 1.048 415 K CA 1.826 58.125 56.287 0.021 0.000 0.926 415 K CB -0.613 31.917 32.500 0.051 0.000 0.713 415 K HN 0.296 nan 8.250 nan 0.000 0.444 416 A N 0.557 123.344 122.820 -0.055 0.000 2.263 416 A HA 0.242 4.592 4.320 0.049 0.000 0.205 416 A C 1.284 178.769 177.584 -0.164 0.000 1.226 416 A CA 0.738 52.720 52.037 -0.091 0.000 0.810 416 A CB -0.479 18.460 19.000 -0.102 0.000 0.784 416 A HN 0.514 nan 8.150 nan 0.000 0.486 417 A N -0.486 122.243 122.820 -0.152 0.000 3.105 417 A HA 0.551 4.900 4.320 0.049 0.000 0.297 417 A C 0.014 177.584 177.584 -0.023 0.000 0.977 417 A CA -0.377 51.544 52.037 -0.194 0.000 1.020 417 A CB -0.466 18.354 19.000 -0.300 0.000 1.098 417 A HN 0.688 nan 8.150 nan 0.000 0.497 418 H N -1.243 117.823 119.070 -0.006 0.000 4.560 418 H HA -0.159 4.426 4.556 0.049 0.000 0.259 418 H C 0.499 175.812 175.328 -0.026 0.000 0.556 418 H CA 0.490 56.533 56.048 -0.008 0.000 0.698 418 H CB 0.081 29.844 29.762 0.001 0.000 1.001 418 H HN 0.773 nan 8.280 nan 0.000 0.304 419 E N 1.188 121.427 120.200 0.065 0.000 3.271 419 E HA -0.060 4.320 4.350 0.049 0.000 0.332 419 E C 0.774 177.319 176.600 -0.092 0.000 1.505 419 E CA -0.331 56.021 56.400 -0.081 0.000 1.676 419 E CB 0.303 29.927 29.700 -0.127 0.000 1.053 419 E HN 0.412 nan 8.360 nan 0.000 0.687 420 K N -0.018 120.276 120.400 -0.176 0.000 3.358 420 K HA 0.016 4.366 4.320 0.049 0.000 0.297 420 K C -0.045 176.475 176.600 -0.134 0.000 1.064 420 K CA 0.540 56.730 56.287 -0.162 0.000 1.144 420 K CB -0.648 31.724 32.500 -0.213 0.000 1.289 420 K HN 0.538 nan 8.250 nan 0.000 0.372 421 G N -0.143 108.606 108.800 -0.084 0.000 2.686 421 G HA2 -0.127 3.862 3.960 0.049 0.000 0.158 421 G HA3 -0.127 3.862 3.960 0.049 0.000 0.158 421 G C 0.818 175.703 174.900 -0.025 0.000 1.438 421 G CA -0.241 44.815 45.100 -0.074 0.000 0.781 421 G HN 0.392 nan 8.290 nan 0.000 1.041 422 E N 1.426 121.645 120.200 0.033 0.000 2.118 422 E HA -0.132 4.247 4.350 0.049 0.000 0.195 422 E C 0.079 176.722 176.600 0.072 0.000 0.992 422 E CA 0.900 57.371 56.400 0.119 0.000 0.804 422 E CB -0.091 29.774 29.700 0.276 0.000 0.741 422 E HN 0.428 nan 8.360 nan 0.000 0.458 423 R N -0.482 120.038 120.500 0.033 0.000 2.116 423 R HA -0.062 4.308 4.340 0.049 0.000 0.361 423 R C -0.651 175.623 176.300 -0.044 0.000 1.022 423 R CA 0.491 56.584 56.100 -0.011 0.000 0.574 423 R CB -2.323 27.977 30.300 0.000 0.000 1.952 423 R HN 0.125 nan 8.270 nan 0.000 0.449 424 V N 1.023 120.903 119.914 -0.058 0.000 2.318 424 V HA 0.580 4.729 4.120 0.049 0.000 0.271 424 V C 0.969 176.923 176.094 -0.233 0.000 1.030 424 V CA -0.786 61.429 62.300 -0.142 0.000 0.844 424 V CB 1.057 32.938 31.823 0.097 0.000 1.015 424 V HN 0.366 nan 8.190 nan 0.000 0.460 425 I N 5.405 125.743 120.570 -0.386 0.000 2.662 425 I HA 0.351 4.551 4.170 0.049 0.000 0.291 425 I C -0.192 175.672 176.117 -0.421 0.000 1.046 425 I CA -0.336 60.756 61.300 -0.347 0.000 1.361 425 I CB 1.650 39.458 38.000 -0.320 0.000 1.429 425 I HN 0.562 nan 8.210 nan 0.000 0.558 426 L N 6.234 127.251 121.223 -0.343 0.000 2.442 426 L HA 0.375 4.744 4.340 0.049 0.000 0.261 426 L C -0.618 176.023 176.870 -0.382 0.000 1.000 426 L CA -0.380 54.263 54.840 -0.327 0.000 0.882 426 L CB 1.259 43.223 42.059 -0.159 0.000 1.207 426 L HN 0.261 nan 8.230 nan 0.000 0.443 427 V N 6.197 125.747 119.914 -0.607 0.000 2.455 427 V HA 0.567 4.717 4.120 0.049 0.000 0.273 427 V C -0.009 175.933 176.094 -0.253 0.000 1.045 427 V CA -0.174 61.781 62.300 -0.575 0.000 0.976 427 V CB 0.671 31.928 31.823 -0.944 0.000 0.993 427 V HN 0.641 nan 8.190 nan 0.000 0.475 428 R N 4.073 124.486 120.500 -0.144 0.000 2.515 428 R HA 0.223 4.593 4.340 0.049 0.000 0.278 428 R C 0.536 176.830 176.300 -0.009 0.000 1.107 428 R CA -0.672 55.407 56.100 -0.034 0.000 0.945 428 R CB 1.758 32.045 30.300 -0.021 0.000 1.219 428 R HN 0.689 nan 8.270 nan 0.000 0.434 429 L N 1.958 123.195 121.223 0.023 0.000 2.085 429 L HA -0.259 4.110 4.340 0.049 0.000 0.218 429 L C 0.016 176.904 176.870 0.030 0.000 1.080 429 L CA 2.068 56.927 54.840 0.031 0.000 0.776 429 L CB 0.220 42.302 42.059 0.038 0.000 0.891 429 L HN 0.730 nan 8.230 nan 0.000 0.437 430 E N -2.718 117.498 120.200 0.028 0.000 2.401 430 E HA 0.317 4.696 4.350 0.049 0.000 0.283 430 E C -0.841 175.784 176.600 0.042 0.000 1.053 430 E CA -0.210 56.213 56.400 0.038 0.000 0.842 430 E CB 0.518 30.238 29.700 0.034 0.000 1.222 430 E HN 0.071 nan 8.360 nan 0.000 0.429 431 T N -0.934 113.673 114.554 0.090 0.000 2.944 431 T HA 0.783 5.162 4.350 0.049 0.000 0.284 431 T C 0.091 174.850 174.700 0.099 0.000 1.010 431 T CA -0.265 61.916 62.100 0.135 0.000 1.025 431 T CB 1.451 70.419 68.868 0.167 0.000 1.079 431 T HN 0.792 nan 8.240 nan 0.000 0.516 432 S N 0.007 115.735 115.700 0.046 0.000 2.618 432 S HA 0.588 5.088 4.470 0.049 0.000 0.277 432 S C -2.457 172.176 174.600 0.054 0.000 1.138 432 S CA -1.511 56.527 58.200 -0.270 0.000 0.844 432 S CB 1.532 64.628 63.200 -0.173 0.000 1.127 432 S HN 0.426 nan 8.310 nan 0.000 0.474 433 P HA -0.115 nan 4.420 nan 0.000 0.218 433 P C 0.650 177.988 177.300 0.064 0.000 1.146 433 P CA 1.448 64.616 63.100 0.114 0.000 0.820 433 P CB -0.004 31.708 31.700 0.021 0.000 0.778 434 E N -0.613 119.596 120.200 0.015 0.000 2.311 434 E HA -0.006 4.373 4.350 0.049 0.000 0.198 434 E C 0.373 176.993 176.600 0.034 0.000 1.115 434 E CA 0.175 56.584 56.400 0.015 0.000 1.140 434 E CB -0.794 28.900 29.700 -0.009 0.000 1.204 434 E HN 0.016 nan 8.360 nan 0.000 0.446 435 D N -0.704 119.739 120.400 0.071 0.000 2.490 435 D HA 0.012 4.681 4.640 0.049 0.000 0.246 435 D C 1.246 177.606 176.300 0.100 0.000 1.196 435 D CA -0.129 53.918 54.000 0.078 0.000 0.812 435 D CB 0.146 40.994 40.800 0.079 0.000 1.191 435 D HN 0.231 nan 8.370 nan 0.000 0.531 436 I N 1.899 122.543 120.570 0.122 0.000 2.462 436 I HA -0.266 3.934 4.170 0.049 0.000 0.259 436 I C 1.607 177.797 176.117 0.122 0.000 1.156 436 I CA 1.722 63.110 61.300 0.148 0.000 1.417 436 I CB 0.116 38.237 38.000 0.200 0.000 1.088 436 I HN -0.019 nan 8.210 nan 0.000 0.442 437 E N -1.187 119.072 120.200 0.098 0.000 2.452 437 E HA 0.085 4.465 4.350 0.049 0.000 0.197 437 E C 2.118 178.811 176.600 0.154 0.000 1.022 437 E CA 0.549 57.025 56.400 0.126 0.000 0.890 437 E CB -0.072 29.675 29.700 0.079 0.000 0.918 437 E HN 0.583 nan 8.360 nan 0.000 0.496 438 G N 0.656 109.514 108.800 0.096 0.000 2.539 438 G HA2 -0.128 3.862 3.960 0.049 0.000 0.215 438 G HA3 -0.128 3.862 3.960 0.049 0.000 0.215 438 G C 1.506 176.436 174.900 0.050 0.000 1.141 438 G CA 0.026 45.164 45.100 0.063 0.000 0.806 438 G HN 0.030 nan 8.290 nan 0.000 0.533 439 M N 1.106 120.750 119.600 0.074 0.000 2.086 439 M HA -0.080 4.430 4.480 0.049 0.000 0.261 439 M C 2.202 178.530 176.300 0.045 0.000 1.067 439 M CA 1.157 56.492 55.300 0.057 0.000 1.116 439 M CB -1.396 31.252 32.600 0.080 0.000 1.348 439 M HN 0.463 nan 8.290 nan 0.000 0.407 440 H N -0.084 118.969 119.070 -0.028 0.000 2.556 440 H HA 0.249 4.834 4.556 0.048 0.000 0.268 440 H C 0.362 175.662 175.328 -0.047 0.000 0.996 440 H CA 1.198 57.214 56.048 -0.054 0.000 1.157 440 H CB 0.197 29.912 29.762 -0.078 0.000 1.355 440 H HN 0.291 nan 8.280 nan 0.000 0.597 441 A N 0.202 122.855 122.820 -0.280 0.000 2.594 441 A HA 0.650 4.999 4.320 0.049 0.000 0.292 441 A C 0.173 177.674 177.584 -0.138 0.000 1.026 441 A CA 0.143 51.998 52.037 -0.302 0.000 0.983 441 A CB -0.152 18.687 19.000 -0.270 0.000 1.233 441 A HN 0.452 nan 8.150 nan 0.000 0.519 442 A N -0.338 122.409 122.820 -0.122 0.000 2.365 442 A HA 0.679 5.029 4.320 0.049 0.000 0.318 442 A C 0.549 178.060 177.584 -0.123 0.000 1.091 442 A CA -0.403 51.574 52.037 -0.099 0.000 0.763 442 A CB 0.858 19.809 19.000 -0.082 0.000 1.248 442 A HN 0.063 nan 8.150 nan 0.000 0.442 443 E N 0.817 120.942 120.200 -0.124 0.000 2.150 443 E HA 0.150 4.529 4.350 0.049 0.000 0.193 443 E C 0.933 177.460 176.600 -0.122 0.000 0.985 443 E CA 1.449 57.763 56.400 -0.144 0.000 0.814 443 E CB -0.047 29.582 29.700 -0.118 0.000 0.752 443 E HN 1.014 nan 8.360 nan 0.000 0.466 444 G N 0.251 108.995 108.800 -0.093 0.000 2.519 444 G HA2 0.482 4.471 3.960 0.049 0.000 0.292 444 G HA3 0.482 4.471 3.960 0.049 0.000 0.292 444 G C -1.214 173.636 174.900 -0.084 0.000 1.507 444 G CA -0.746 44.313 45.100 -0.068 0.000 0.806 444 G HN 0.031 nan 8.290 nan 0.000 0.523 445 I N -0.986 119.542 120.570 -0.071 0.000 2.608 445 I HA 0.672 4.871 4.170 0.049 0.000 0.295 445 I C -0.964 175.102 176.117 -0.086 0.000 1.049 445 I CA -1.201 60.040 61.300 -0.097 0.000 1.063 445 I CB 2.397 40.352 38.000 -0.075 0.000 1.248 445 I HN 0.403 nan 8.210 nan 0.000 0.424 446 L N 4.715 125.850 121.223 -0.147 0.000 2.280 446 L HA 0.473 4.843 4.340 0.049 0.000 0.287 446 L C -0.105 176.697 176.870 -0.114 0.000 1.023 446 L CA -0.116 54.633 54.840 -0.152 0.000 0.819 446 L CB 1.543 43.402 42.059 -0.332 0.000 1.212 446 L HN 0.883 nan 8.230 nan 0.000 0.420 447 T N 0.778 115.303 114.554 -0.049 0.000 2.841 447 T HA 0.305 4.685 4.350 0.049 0.000 0.285 447 T C 1.117 175.818 174.700 0.002 0.000 0.991 447 T CA -0.822 61.265 62.100 -0.023 0.000 0.966 447 T CB 1.696 70.568 68.868 0.008 0.000 0.962 447 T HN 0.202 nan 8.240 nan 0.000 0.438 448 V N 2.842 122.762 119.914 0.010 0.000 2.332 448 V HA -0.023 4.126 4.120 0.049 0.000 0.248 448 V C 1.194 177.316 176.094 0.047 0.000 1.055 448 V CA 1.259 63.580 62.300 0.035 0.000 1.038 448 V CB -1.034 30.818 31.823 0.047 0.000 0.651 448 V HN 0.823 nan 8.190 nan 0.000 0.450 449 R N -0.055 120.474 120.500 0.048 0.000 2.409 449 R HA 0.652 5.022 4.340 0.049 0.000 0.313 449 R C -0.041 176.289 176.300 0.051 0.000 0.953 449 R CA 0.455 56.589 56.100 0.056 0.000 0.849 449 R CB 1.779 32.120 30.300 0.068 0.000 1.171 449 R HN 0.446 nan 8.270 nan 0.000 0.458 450 G N 0.433 109.260 108.800 0.044 0.000 2.337 450 G HA2 0.434 4.423 3.960 0.049 0.000 0.298 450 G HA3 0.434 4.423 3.960 0.049 0.000 0.298 450 G C -1.207 173.713 174.900 0.034 0.000 1.335 450 G CA -0.229 44.898 45.100 0.044 0.000 0.875 450 G HN 0.776 nan 8.290 nan 0.000 0.579 451 G N -1.918 106.905 108.800 0.038 0.000 2.753 451 G HA2 0.584 4.573 3.960 0.049 0.000 0.303 451 G HA3 0.584 4.573 3.960 0.049 0.000 0.303 451 G C 1.007 175.936 174.900 0.049 0.000 1.242 451 G CA 0.294 45.412 45.100 0.029 0.000 0.810 451 G HN 0.653 nan 8.290 nan 0.000 0.515 452 M N 0.384 120.003 119.600 0.032 0.000 2.117 452 M HA -0.012 4.497 4.480 0.049 0.000 0.262 452 M C 2.354 178.741 176.300 0.146 0.000 1.065 452 M CA 2.109 57.454 55.300 0.074 0.000 1.114 452 M CB -1.864 30.691 32.600 -0.075 0.000 1.361 452 M HN 0.561 nan 8.290 nan 0.000 0.408 453 T N 0.947 115.571 114.554 0.116 0.000 3.035 453 T HA -0.009 4.371 4.350 0.049 0.000 0.268 453 T C 1.095 175.861 174.700 0.111 0.000 1.109 453 T CA 0.692 62.876 62.100 0.140 0.000 1.119 453 T CB -0.243 68.672 68.868 0.079 0.000 0.900 453 T HN 0.603 nan 8.240 nan 0.000 0.503 454 S N 0.061 115.817 115.700 0.092 0.000 2.580 454 S HA -0.019 4.480 4.470 0.049 0.000 0.261 454 S C 1.214 175.887 174.600 0.121 0.000 1.366 454 S CA -0.078 58.182 58.200 0.099 0.000 0.996 454 S CB 0.096 63.348 63.200 0.086 0.000 0.902 454 S HN 0.529 nan 8.310 nan 0.000 0.566 455 H N 1.704 120.799 119.070 0.043 0.000 2.267 455 H HA -0.160 4.426 4.556 0.049 0.000 0.297 455 H C 2.268 177.626 175.328 0.049 0.000 1.080 455 H CA 2.178 58.249 56.048 0.039 0.000 1.278 455 H CB -0.720 29.055 29.762 0.021 0.000 1.365 455 H HN 0.817 nan 8.280 nan 0.000 0.489 456 A N 1.258 124.120 122.820 0.070 0.000 1.877 456 A HA -0.091 4.259 4.320 0.049 0.000 0.216 456 A C 2.721 180.303 177.584 -0.003 0.000 1.186 456 A CA 1.867 53.911 52.037 0.012 0.000 0.620 456 A CB -1.178 17.855 19.000 0.055 0.000 0.822 456 A HN 0.610 nan 8.150 nan 0.000 0.443 457 A N -0.412 122.428 122.820 0.034 0.000 1.852 457 A HA -0.169 4.180 4.320 0.049 0.000 0.217 457 A C 2.177 179.789 177.584 0.047 0.000 1.215 457 A CA 2.257 54.323 52.037 0.048 0.000 0.641 457 A CB -1.428 17.619 19.000 0.078 0.000 0.838 457 A HN 0.606 nan 8.150 nan 0.000 0.450 458 V N -0.681 119.273 119.914 0.067 0.000 2.439 458 V HA -0.262 3.887 4.120 0.049 0.000 0.253 458 V C 2.489 178.613 176.094 0.050 0.000 1.074 458 V CA 2.168 64.523 62.300 0.092 0.000 1.076 458 V CB -0.530 31.365 31.823 0.119 0.000 0.664 458 V HN 0.398 nan 8.190 nan 0.000 0.461 459 V N -0.778 119.131 119.914 -0.009 0.000 2.649 459 V HA -0.059 4.090 4.120 0.049 0.000 0.248 459 V C 2.492 178.601 176.094 0.025 0.000 1.054 459 V CA 1.359 63.662 62.300 0.004 0.000 1.073 459 V CB -0.301 31.480 31.823 -0.070 0.000 0.699 459 V HN 0.560 nan 8.190 nan 0.000 0.463 460 A N 0.469 123.295 122.820 0.011 0.000 1.865 460 A HA -0.268 4.082 4.320 0.049 0.000 0.217 460 A C 2.272 179.862 177.584 0.010 0.000 1.191 460 A CA 2.066 54.108 52.037 0.007 0.000 0.623 460 A CB -0.550 18.452 19.000 0.004 0.000 0.826 460 A HN 0.511 nan 8.150 nan 0.000 0.444 461 R N -1.077 119.432 120.500 0.014 0.000 2.162 461 R HA -0.221 4.148 4.340 0.049 0.000 0.245 461 R C 2.342 178.645 176.300 0.006 0.000 1.129 461 R CA 1.716 57.819 56.100 0.004 0.000 0.940 461 R CB -0.995 29.301 30.300 -0.008 0.000 0.875 461 R HN 0.553 nan 8.270 nan 0.000 0.437 462 G N 0.165 108.980 108.800 0.025 0.000 2.408 462 G HA2 -0.216 3.774 3.960 0.049 0.000 0.217 462 G HA3 -0.216 3.774 3.960 0.049 0.000 0.217 462 G C 1.383 176.281 174.900 -0.003 0.000 1.150 462 G CA 0.338 45.451 45.100 0.023 0.000 0.776 462 G HN 0.157 nan 8.290 nan 0.000 0.542 463 M N 0.539 120.138 119.600 -0.002 0.000 2.557 463 M HA 0.090 4.599 4.480 0.049 0.000 0.259 463 M C 2.102 178.404 176.300 0.004 0.000 1.086 463 M CA 0.889 56.181 55.300 -0.014 0.000 1.096 463 M CB -0.104 32.493 32.600 -0.006 0.000 1.424 463 M HN 0.418 nan 8.290 nan 0.000 0.488 464 G N 0.678 109.484 108.800 0.010 0.000 2.196 464 G HA2 -0.252 3.738 3.960 0.049 0.000 0.268 464 G HA3 -0.252 3.738 3.960 0.049 0.000 0.268 464 G C 0.293 175.218 174.900 0.042 0.000 0.975 464 G CA 0.804 45.923 45.100 0.032 0.000 0.648 464 G HN 0.442 nan 8.290 nan 0.000 0.538 465 T N 0.971 115.526 114.554 0.002 0.000 2.907 465 T HA 0.411 4.791 4.350 0.049 0.000 0.298 465 T C 1.286 175.971 174.700 -0.024 0.000 1.017 465 T CA 0.200 62.282 62.100 -0.030 0.000 1.118 465 T CB 1.086 69.927 68.868 -0.044 0.000 0.948 465 T HN 1.103 nan 8.240 nan 0.000 0.531 466 C N 3.040 122.317 119.300 -0.038 0.000 2.649 466 C HA 0.795 5.284 4.460 0.049 0.000 0.377 466 C C 0.444 175.424 174.990 -0.016 0.000 1.321 466 C CA -0.943 58.061 59.018 -0.023 0.000 2.368 466 C CB -0.506 27.219 27.740 -0.025 0.000 2.597 466 C HN 1.056 nan 8.230 nan 0.000 0.678 467 C N 2.811 122.111 119.300 0.000 0.000 3.199 467 C HA 0.599 5.088 4.460 0.049 0.000 0.392 467 C C -1.089 173.913 174.990 0.020 0.000 1.050 467 C CA -0.360 58.660 59.018 0.003 0.000 1.222 467 C CB 0.541 28.282 27.740 0.001 0.000 1.595 467 C HN 1.117 nan 8.230 nan 0.000 0.560 468 V N 5.627 125.550 119.914 0.015 0.000 2.305 468 V HA 0.529 4.679 4.120 0.049 0.000 0.275 468 V C 0.601 176.705 176.094 0.017 0.000 1.020 468 V CA -0.179 62.137 62.300 0.027 0.000 0.811 468 V CB 0.690 32.535 31.823 0.038 0.000 1.031 468 V HN 0.999 nan 8.190 nan 0.000 0.439 469 S N 2.840 118.557 115.700 0.028 0.000 2.549 469 S HA 0.500 4.999 4.470 0.049 0.000 0.260 469 S C 1.494 176.112 174.600 0.031 0.000 1.217 469 S CA 0.070 58.288 58.200 0.029 0.000 1.001 469 S CB -0.031 63.193 63.200 0.041 0.000 1.059 469 S HN 1.891 nan 8.310 nan 0.000 0.537 470 G N -0.262 108.558 108.800 0.034 0.000 2.329 470 G HA2 -0.252 3.738 3.960 0.049 0.000 0.282 470 G HA3 -0.252 3.738 3.960 0.049 0.000 0.282 470 G C 0.250 175.172 174.900 0.037 0.000 0.798 470 G CA 0.476 45.597 45.100 0.035 0.000 0.978 470 G HN 0.980 nan 8.290 nan 0.000 0.476 471 C N 1.652 120.974 119.300 0.036 0.000 2.138 471 C HA 0.641 5.131 4.460 0.049 0.000 0.398 471 C C 1.996 177.019 174.990 0.054 0.000 1.029 471 C CA -0.158 58.886 59.018 0.043 0.000 1.426 471 C CB -1.362 26.401 27.740 0.039 0.000 1.652 471 C HN 0.767 nan 8.230 nan 0.000 0.486 472 G N 3.846 112.680 108.800 0.058 0.000 2.304 472 G HA2 -0.211 3.779 3.960 0.049 0.000 0.192 472 G HA3 -0.211 3.779 3.960 0.049 0.000 0.192 472 G C 1.152 176.100 174.900 0.080 0.000 1.314 472 G CA 0.912 46.051 45.100 0.067 0.000 0.966 472 G HN 0.880 nan 8.290 nan 0.000 0.550 473 E N 0.646 120.895 120.200 0.082 0.000 2.431 473 E HA -0.248 4.132 4.350 0.049 0.000 0.223 473 E C 0.767 177.435 176.600 0.114 0.000 1.242 473 E CA 0.712 57.166 56.400 0.090 0.000 1.008 473 E CB -1.289 28.460 29.700 0.083 0.000 0.986 473 E HN 0.581 nan 8.360 nan 0.000 0.691 474 I N 1.245 121.890 120.570 0.125 0.000 2.213 474 I HA 0.070 4.269 4.170 0.049 0.000 0.295 474 I C 0.201 176.423 176.117 0.175 0.000 1.172 474 I CA -0.663 60.743 61.300 0.177 0.000 1.443 474 I CB -0.168 37.942 38.000 0.182 0.000 1.491 474 I HN -0.332 nan 8.210 nan 0.000 0.652 475 K N 4.920 125.412 120.400 0.153 0.000 1.985 475 K HA 0.163 4.512 4.320 0.049 0.000 0.234 475 K C -0.439 176.257 176.600 0.159 0.000 1.140 475 K CA 0.314 56.676 56.287 0.126 0.000 1.141 475 K CB -0.755 31.797 32.500 0.087 0.000 1.165 475 K HN 0.413 nan 8.250 nan 0.000 0.301 476 I N 1.883 122.554 120.570 0.169 0.000 2.371 476 I HA 0.095 4.294 4.170 0.049 0.000 0.290 476 I C 0.326 176.454 176.117 0.018 0.000 1.028 476 I CA -0.702 60.692 61.300 0.157 0.000 1.345 476 I CB 0.856 38.952 38.000 0.161 0.000 1.407 476 I HN 0.361 nan 8.210 nan 0.000 0.501 477 N N 4.946 123.604 118.700 -0.070 0.000 2.469 477 N HA 0.150 4.919 4.740 0.049 0.000 0.253 477 N C 0.467 175.848 175.510 -0.214 0.000 0.970 477 N CA -0.351 52.638 53.050 -0.102 0.000 0.940 477 N CB 1.255 39.703 38.487 -0.066 0.000 1.128 477 N HN 0.526 nan 8.380 nan 0.000 0.503 478 E N 2.128 122.243 120.200 -0.141 0.000 2.107 478 E HA -0.178 4.202 4.350 0.049 0.000 0.191 478 E C 0.773 177.314 176.600 -0.099 0.000 0.982 478 E CA 0.713 57.029 56.400 -0.140 0.000 0.809 478 E CB 0.192 29.876 29.700 -0.027 0.000 0.756 478 E HN 0.817 nan 8.360 nan 0.000 0.459 479 E N 0.898 121.061 120.200 -0.061 0.000 2.048 479 E HA -0.167 4.213 4.350 0.049 0.000 0.202 479 E C 1.380 177.957 176.600 -0.039 0.000 1.021 479 E CA 1.927 58.306 56.400 -0.035 0.000 0.825 479 E CB -0.385 29.302 29.700 -0.022 0.000 0.756 479 E HN 0.177 nan 8.360 nan 0.000 0.454 480 A N -0.093 122.692 122.820 -0.058 0.000 2.291 480 A HA 0.096 4.446 4.320 0.049 0.000 0.220 480 A C -0.035 177.506 177.584 -0.071 0.000 1.262 480 A CA 0.343 52.352 52.037 -0.046 0.000 0.867 480 A CB -0.530 18.448 19.000 -0.036 0.000 0.888 480 A HN 0.290 nan 8.150 nan 0.000 0.487 481 K N 0.401 120.724 120.400 -0.129 0.000 3.490 481 K HA -0.202 4.147 4.320 0.049 0.000 0.273 481 K C 0.378 176.769 176.600 -0.348 0.000 0.916 481 K CA 1.022 57.192 56.287 -0.195 0.000 0.718 481 K CB -1.871 30.677 32.500 0.080 0.000 1.477 481 K HN 0.893 nan 8.250 nan 0.000 0.452 482 T N -2.365 111.803 114.554 -0.644 0.000 2.598 482 T HA 0.821 5.200 4.350 0.049 0.000 0.289 482 T C -1.002 173.582 174.700 -0.193 0.000 1.056 482 T CA -0.493 61.428 62.100 -0.298 0.000 1.088 482 T CB 1.769 70.657 68.868 0.034 0.000 1.519 482 T HN 0.540 nan 8.240 nan 0.000 0.488 483 F N -1.522 118.437 119.950 0.015 0.000 2.804 483 F HA 0.777 5.333 4.527 0.049 0.000 0.320 483 F C -1.313 174.694 175.800 0.346 0.000 1.135 483 F CA -0.956 57.134 58.000 0.151 0.000 0.947 483 F CB 0.787 39.947 39.000 0.266 0.000 1.260 483 F HN 0.962 nan 8.300 nan 0.000 0.447 484 E N 2.144 122.466 120.200 0.204 0.000 2.285 484 E HA 0.893 5.273 4.350 0.049 0.000 0.254 484 E C -1.707 175.045 176.600 0.254 0.000 1.011 484 E CA -1.124 55.384 56.400 0.180 0.000 0.873 484 E CB 1.926 31.711 29.700 0.142 0.000 1.229 484 E HN 0.819 nan 8.360 nan 0.000 0.422 485 L N 0.334 121.744 121.223 0.311 0.000 3.490 485 L HA 0.207 4.577 4.340 0.049 0.000 0.238 485 L C 0.498 177.505 176.870 0.229 0.000 0.998 485 L CA 0.123 55.124 54.840 0.268 0.000 1.044 485 L CB 0.873 43.079 42.059 0.245 0.000 1.618 485 L HN 0.888 nan 8.230 nan 0.000 0.438 486 G N 2.632 111.513 108.800 0.135 0.000 2.723 486 G HA2 -0.365 3.624 3.960 0.049 0.000 0.356 486 G HA3 -0.365 3.624 3.960 0.049 0.000 0.356 486 G C 0.729 175.746 174.900 0.195 0.000 1.164 486 G CA 0.880 46.052 45.100 0.120 0.000 0.939 486 G HN 1.511 nan 8.290 nan 0.000 0.570 487 G N -0.500 108.543 108.800 0.404 0.000 4.424 487 G HA2 0.573 4.562 3.960 0.049 0.000 0.287 487 G HA3 0.573 4.562 3.960 0.049 0.000 0.287 487 G C 0.011 175.002 174.900 0.152 0.000 1.023 487 G CA 0.346 45.600 45.100 0.257 0.000 0.790 487 G HN 0.894 nan 8.290 nan 0.000 0.468 488 H N -0.418 118.568 119.070 -0.141 0.000 2.616 488 H HA 0.541 5.126 4.556 0.049 0.000 0.353 488 H C -0.794 174.203 175.328 -0.553 0.000 1.170 488 H CA -0.720 55.036 56.048 -0.487 0.000 1.212 488 H CB 2.470 31.715 29.762 -0.861 0.000 1.653 488 H HN -0.047 nan 8.280 nan 0.000 0.537 489 T N 3.304 117.503 114.554 -0.591 0.000 2.977 489 T HA 0.203 4.582 4.350 0.049 0.000 0.346 489 T C -0.873 173.580 174.700 -0.411 0.000 1.140 489 T CA -0.695 61.193 62.100 -0.354 0.000 1.040 489 T CB -0.609 68.144 68.868 -0.191 0.000 1.046 489 T HN 0.259 nan 8.240 nan 0.000 0.494 490 F N 2.161 121.961 119.950 -0.251 0.000 2.368 490 F HA 0.578 5.134 4.527 0.049 0.000 0.362 490 F C 0.793 176.695 175.800 0.169 0.000 1.137 490 F CA -1.752 56.169 58.000 -0.131 0.000 1.161 490 F CB 0.164 38.971 39.000 -0.321 0.000 1.265 490 F HN 0.468 nan 8.300 nan 0.000 0.530 491 A N 2.768 125.765 122.820 0.295 0.000 2.415 491 A HA 0.436 4.785 4.320 0.049 0.000 0.309 491 A C 0.416 178.210 177.584 0.350 0.000 1.356 491 A CA -0.787 51.432 52.037 0.305 0.000 0.998 491 A CB -0.682 18.424 19.000 0.176 0.000 1.145 491 A HN 0.787 nan 8.150 nan 0.000 0.545 492 E N 0.895 121.380 120.200 0.474 0.000 1.745 492 E HA -0.082 4.298 4.350 0.049 0.000 0.166 492 E C 0.407 177.142 176.600 0.224 0.000 1.247 492 E CA 1.320 57.936 56.400 0.360 0.000 0.566 492 E CB -1.621 28.375 29.700 0.493 0.000 1.034 492 E HN 1.028 nan 8.360 nan 0.000 0.278 493 G N 1.153 110.070 108.800 0.194 0.000 2.728 493 G HA2 0.423 4.413 3.960 0.049 0.000 0.294 493 G HA3 0.423 4.413 3.960 0.049 0.000 0.294 493 G C -1.455 173.544 174.900 0.164 0.000 1.398 493 G CA -0.885 44.302 45.100 0.146 0.000 1.183 493 G HN 0.093 nan 8.290 nan 0.000 0.578 494 D N -0.259 120.196 120.400 0.092 0.000 6.300 494 D HA -0.199 4.471 4.640 0.049 0.000 0.165 494 D C -0.579 175.834 176.300 0.189 0.000 0.931 494 D CA 1.697 55.757 54.000 0.100 0.000 0.991 494 D CB -0.197 40.650 40.800 0.079 0.000 1.300 494 D HN 0.514 nan 8.370 nan 0.000 0.730 495 Y N 1.125 121.433 120.300 0.014 0.000 2.609 495 Y HA 0.625 5.205 4.550 0.049 0.000 0.342 495 Y C -0.913 174.986 175.900 -0.000 0.000 1.058 495 Y CA -1.236 56.877 58.100 0.021 0.000 1.055 495 Y CB 1.262 39.715 38.460 -0.011 0.000 1.292 495 Y HN 0.185 nan 8.280 nan 0.000 0.476 496 I N 2.996 123.432 120.570 -0.224 0.000 2.500 496 I HA 0.397 4.596 4.170 0.049 0.000 0.286 496 I C -0.855 175.291 176.117 0.050 0.000 1.063 496 I CA -0.418 60.866 61.300 -0.028 0.000 1.062 496 I CB 1.926 39.809 38.000 -0.195 0.000 1.223 496 I HN 0.513 nan 8.210 nan 0.000 0.435 497 S N 6.472 122.318 115.700 0.243 0.000 2.578 497 S HA 0.940 5.440 4.470 0.049 0.000 0.301 497 S C -0.833 173.912 174.600 0.243 0.000 1.091 497 S CA -0.749 57.581 58.200 0.216 0.000 1.032 497 S CB 2.021 65.335 63.200 0.190 0.000 1.064 497 S HN 0.649 nan 8.310 nan 0.000 0.508 498 L N 1.313 122.640 121.223 0.173 0.000 2.472 498 L HA 0.390 4.759 4.340 0.049 0.000 0.260 498 L C -0.066 176.858 176.870 0.089 0.000 0.963 498 L CA -0.805 54.135 54.840 0.167 0.000 0.829 498 L CB 2.072 44.264 42.059 0.223 0.000 1.348 498 L HN 0.984 nan 8.230 nan 0.000 0.408 499 D N 1.149 121.583 120.400 0.056 0.000 2.421 499 D HA -0.092 4.577 4.640 0.049 0.000 0.223 499 D C 0.622 176.945 176.300 0.038 0.000 0.979 499 D CA 0.896 54.916 54.000 0.033 0.000 0.959 499 D CB -0.071 40.734 40.800 0.008 0.000 0.874 499 D HN 0.513 nan 8.370 nan 0.000 0.513 500 G N -0.887 107.944 108.800 0.052 0.000 3.302 500 G HA2 0.417 4.406 3.960 0.049 0.000 0.338 500 G HA3 0.417 4.406 3.960 0.049 0.000 0.338 500 G C 0.618 175.547 174.900 0.050 0.000 1.405 500 G CA -0.145 44.983 45.100 0.047 0.000 1.090 500 G HN 0.040 nan 8.290 nan 0.000 0.482 501 S N 0.876 116.604 115.700 0.048 0.000 3.949 501 S HA -0.364 4.136 4.470 0.049 0.000 0.534 501 S C 1.775 176.406 174.600 0.050 0.000 1.062 501 S CA 2.335 60.563 58.200 0.047 0.000 3.458 501 S CB -2.025 61.199 63.200 0.040 0.000 2.216 501 S HN 1.808 nan 8.310 nan 0.000 0.468 502 T N 1.298 115.876 114.554 0.040 0.000 2.860 502 T HA 0.330 4.709 4.350 0.049 0.000 0.295 502 T C 0.349 175.071 174.700 0.037 0.000 1.041 502 T CA 0.358 62.475 62.100 0.027 0.000 1.132 502 T CB 0.264 69.135 68.868 0.006 0.000 1.072 502 T HN 1.192 nan 8.240 nan 0.000 0.504 503 G N 2.715 111.527 108.800 0.019 0.000 3.749 503 G HA2 0.453 4.442 3.960 0.049 0.000 0.339 503 G HA3 0.453 4.442 3.960 0.049 0.000 0.339 503 G C 0.101 174.886 174.900 -0.192 0.000 1.513 503 G CA -0.997 44.124 45.100 0.036 0.000 1.035 503 G HN 0.549 nan 8.290 nan 0.000 0.480 511 E N 5.049 125.265 120.200 0.027 0.000 2.376 511 E HA 0.307 4.686 4.350 0.049 0.000 0.266 511 E C -0.308 176.426 176.600 0.224 0.000 1.009 511 E CA 0.022 56.486 56.400 0.106 0.000 0.902 511 E CB 1.031 30.761 29.700 0.049 0.000 0.972 511 E HN 0.641 nan 8.360 nan 0.000 0.439 512 T N 1.952 116.613 114.554 0.178 0.000 2.880 512 T HA 0.552 4.931 4.350 0.049 0.000 0.279 512 T C -0.257 174.474 174.700 0.052 0.000 0.990 512 T CA -0.687 61.485 62.100 0.120 0.000 0.938 512 T CB 1.304 70.176 68.868 0.007 0.000 1.206 512 T HN 0.681 nan 8.240 nan 0.000 0.573 513 Q N -1.999 117.802 119.800 0.001 0.000 2.973 513 Q HA 0.397 4.766 4.340 0.049 0.000 0.313 513 Q C -1.755 174.224 176.000 -0.035 0.000 0.860 513 Q CA -1.217 54.583 55.803 -0.005 0.000 0.780 513 Q CB 0.404 29.152 28.738 0.016 0.000 1.485 513 Q HN 0.678 nan 8.270 nan 0.000 0.453 514 E N -0.003 120.186 120.200 -0.019 0.000 2.408 514 E HA 0.550 4.929 4.350 0.049 0.000 0.259 514 E C -0.734 175.832 176.600 -0.056 0.000 1.110 514 E CA -0.008 56.372 56.400 -0.034 0.000 0.929 514 E CB 0.769 30.480 29.700 0.019 0.000 0.971 514 E HN 0.589 nan 8.360 nan 0.000 0.438 515 A N 1.422 124.186 122.820 -0.093 0.000 2.498 515 A HA 0.448 4.798 4.320 0.049 0.000 0.298 515 A C -0.101 177.414 177.584 -0.114 0.000 1.075 515 A CA -0.650 51.328 52.037 -0.098 0.000 0.714 515 A CB 1.681 20.609 19.000 -0.120 0.000 1.299 515 A HN 0.552 nan 8.150 nan 0.000 0.407 516 S N -0.380 115.265 115.700 -0.092 0.000 2.639 516 S HA 0.209 4.709 4.470 0.049 0.000 0.252 516 S C 0.257 174.767 174.600 -0.150 0.000 1.413 516 S CA 0.878 59.023 58.200 -0.092 0.000 0.974 516 S CB 0.160 63.322 63.200 -0.063 0.000 0.899 516 S HN 2.200 nan 8.310 nan 0.000 0.562 517 V N 0.446 120.283 119.914 -0.128 0.000 2.763 517 V HA 0.556 4.705 4.120 0.049 0.000 0.257 517 V C 0.136 176.230 176.094 -0.001 0.000 0.906 517 V CA -0.083 62.118 62.300 -0.166 0.000 0.894 517 V CB -0.081 31.432 31.823 -0.517 0.000 1.052 517 V HN 1.238 nan 8.190 nan 0.000 0.491 518 S N 3.728 119.426 115.700 -0.003 0.000 2.822 518 S HA 0.205 4.704 4.470 0.049 0.000 0.251 518 S C 1.555 176.181 174.600 0.042 0.000 1.441 518 S CA 1.082 59.290 58.200 0.014 0.000 0.983 518 S CB 0.267 63.465 63.200 -0.002 0.000 0.910 518 S HN 2.107 nan 8.310 nan 0.000 0.557 519 G N -0.167 108.637 108.800 0.005 0.000 2.848 519 G HA2 0.168 4.157 3.960 0.049 0.000 0.208 519 G HA3 0.168 4.157 3.960 0.049 0.000 0.208 519 G C 1.157 176.012 174.900 -0.076 0.000 1.152 519 G CA 0.401 45.484 45.100 -0.028 0.000 0.789 519 G HN 0.669 nan 8.290 nan 0.000 0.531 520 S N 0.892 116.573 115.700 -0.032 0.000 2.325 520 S HA -0.071 4.428 4.470 0.049 0.000 0.214 520 S C 1.859 176.411 174.600 -0.080 0.000 1.031 520 S CA 0.711 58.872 58.200 -0.065 0.000 0.972 520 S CB -0.615 62.576 63.200 -0.016 0.000 0.908 520 S HN 0.370 nan 8.310 nan 0.000 0.453 521 F N 3.510 123.382 119.950 -0.130 0.000 2.141 521 F HA -0.227 4.329 4.527 0.049 0.000 0.300 521 F C 2.174 177.882 175.800 -0.154 0.000 1.079 521 F CA 1.705 59.635 58.000 -0.117 0.000 1.264 521 F CB -0.314 38.636 39.000 -0.082 0.000 1.011 521 F HN 0.127 nan 8.300 nan 0.000 0.487 522 E N 0.802 120.886 120.200 -0.193 0.000 2.028 522 E HA -0.170 4.210 4.350 0.049 0.000 0.190 522 E C 2.195 178.496 176.600 -0.498 0.000 0.984 522 E CA 1.494 57.696 56.400 -0.329 0.000 0.800 522 E CB -0.631 28.997 29.700 -0.120 0.000 0.758 522 E HN 0.535 nan 8.360 nan 0.000 0.448 523 R N 0.139 120.295 120.500 -0.573 0.000 2.280 523 R HA 0.074 4.444 4.340 0.049 0.000 0.207 523 R C 2.044 177.501 176.300 -1.406 0.000 1.043 523 R CA 0.402 55.817 56.100 -1.142 0.000 1.006 523 R CB -0.154 29.434 30.300 -1.185 0.000 0.885 523 R HN 0.060 nan 8.270 nan 0.000 0.467 524 I N 0.015 120.163 120.570 -0.703 0.000 2.703 524 I HA -0.053 4.146 4.170 0.049 0.000 0.259 524 I C 1.676 177.615 176.117 -0.298 0.000 1.151 524 I CA 0.968 62.030 61.300 -0.396 0.000 1.470 524 I CB 0.173 38.090 38.000 -0.137 0.000 1.112 524 I HN 0.061 nan 8.210 nan 0.000 0.437 525 M N -0.789 118.522 119.600 -0.481 0.000 2.254 525 M HA -0.024 4.486 4.480 0.049 0.000 0.265 525 M C 2.306 178.435 176.300 -0.286 0.000 1.066 525 M CA 1.149 56.177 55.300 -0.455 0.000 1.123 525 M CB -1.016 31.045 32.600 -0.898 0.000 1.388 525 M HN 0.031 nan 8.290 nan 0.000 0.425 526 V N -1.050 118.642 119.914 -0.370 0.000 2.307 526 V HA -0.234 3.916 4.120 0.049 0.000 0.245 526 V C 2.142 178.231 176.094 -0.009 0.000 1.045 526 V CA 1.494 63.653 62.300 -0.234 0.000 1.024 526 V CB -0.598 31.044 31.823 -0.302 0.000 0.651 526 V HN 0.447 nan 8.190 nan 0.000 0.449 527 W N 0.053 121.346 121.300 -0.011 0.000 2.436 527 W HA 0.062 4.751 4.660 0.049 0.000 0.284 527 W C 2.674 179.307 176.519 0.190 0.000 1.225 527 W CA 0.787 58.176 57.345 0.073 0.000 1.271 527 W CB -1.509 28.088 29.460 0.227 0.000 1.114 527 W HN 0.303 nan 8.180 nan 0.000 0.559 528 A N 1.159 124.164 122.820 0.309 0.000 1.892 528 A HA -0.245 4.104 4.320 0.049 0.000 0.218 528 A C 1.734 179.431 177.584 0.188 0.000 1.188 528 A CA 2.404 54.583 52.037 0.236 0.000 0.631 528 A CB -0.932 18.121 19.000 0.088 0.000 0.822 528 A HN 0.140 nan 8.150 nan 0.000 0.447 529 D N -0.742 119.715 120.400 0.096 0.000 2.218 529 D HA -0.133 4.536 4.640 0.049 0.000 0.204 529 D C 1.837 178.161 176.300 0.040 0.000 0.976 529 D CA 1.532 55.565 54.000 0.055 0.000 0.853 529 D CB -0.183 40.622 40.800 0.009 0.000 0.939 529 D HN 0.690 nan 8.370 nan 0.000 0.481 530 K N -0.435 119.971 120.400 0.011 0.000 2.062 530 K HA -0.068 4.281 4.320 0.049 0.000 0.205 530 K C 1.428 177.936 176.600 -0.153 0.000 1.051 530 K CA 0.857 57.048 56.287 -0.159 0.000 0.941 530 K CB -0.044 32.233 32.500 -0.371 0.000 0.719 530 K HN 0.064 nan 8.250 nan 0.000 0.440 531 F N 1.439 121.428 119.950 0.065 0.000 2.582 531 F HA 0.148 4.704 4.527 0.049 0.000 0.290 531 F C 0.972 176.805 175.800 0.056 0.000 1.115 531 F CA -0.231 57.797 58.000 0.047 0.000 1.445 531 F CB -0.041 38.982 39.000 0.039 0.000 1.126 531 F HN -0.042 nan 8.300 nan 0.000 0.574 532 R N 0.644 121.296 120.500 0.253 0.000 2.641 532 R HA 0.275 4.645 4.340 0.049 0.000 0.269 532 R C 0.667 177.081 176.300 0.190 0.000 1.074 532 R CA 0.832 57.054 56.100 0.204 0.000 1.133 532 R CB 0.631 31.034 30.300 0.171 0.000 1.029 532 R HN 0.207 nan 8.270 nan 0.000 0.488 533 T N -0.048 114.652 114.554 0.243 0.000 3.125 533 T HA 0.178 4.558 4.350 0.049 0.000 0.252 533 T C 0.847 175.593 174.700 0.076 0.000 0.981 533 T CA -0.441 61.751 62.100 0.153 0.000 1.069 533 T CB -0.079 68.883 68.868 0.157 0.000 1.091 533 T HN 0.363 nan 8.240 nan 0.000 0.460 534 L N 2.501 123.752 121.223 0.048 0.000 2.525 534 L HA 0.294 4.663 4.340 0.049 0.000 0.278 534 L C 0.475 177.389 176.870 0.074 0.000 1.218 534 L CA -0.546 54.299 54.840 0.010 0.000 0.878 534 L CB 0.091 42.148 42.059 -0.003 0.000 1.127 534 L HN 0.080 nan 8.230 nan 0.000 0.492 535 K N 1.786 122.235 120.400 0.081 0.000 2.156 535 K HA 0.460 4.809 4.320 0.049 0.000 0.242 535 K C -0.527 176.149 176.600 0.126 0.000 1.033 535 K CA -0.269 56.075 56.287 0.096 0.000 0.878 535 K CB 0.658 33.216 32.500 0.096 0.000 1.057 535 K HN 0.302 nan 8.250 nan 0.000 0.505 536 V N 0.954 120.932 119.914 0.107 0.000 2.841 536 V HA 0.577 4.726 4.120 0.049 0.000 0.310 536 V C -0.600 175.541 176.094 0.079 0.000 1.090 536 V CA -0.839 61.528 62.300 0.112 0.000 0.930 536 V CB 2.116 33.992 31.823 0.088 0.000 1.014 536 V HN 0.666 nan 8.190 nan 0.000 0.425 537 R N 1.303 121.860 120.500 0.096 0.000 2.752 537 R HA 0.722 5.091 4.340 0.049 0.000 0.271 537 R C -1.290 175.044 176.300 0.057 0.000 1.026 537 R CA -0.839 55.281 56.100 0.033 0.000 0.901 537 R CB 2.229 32.497 30.300 -0.053 0.000 1.243 537 R HN 0.609 nan 8.270 nan 0.000 0.463 538 T N 0.789 115.353 114.554 0.017 0.000 2.912 538 T HA 0.359 4.739 4.350 0.049 0.000 0.288 538 T C -0.814 173.896 174.700 0.017 0.000 1.030 538 T CA -0.812 61.295 62.100 0.013 0.000 1.020 538 T CB 0.878 69.728 68.868 -0.030 0.000 1.056 538 T HN 0.370 nan 8.240 nan 0.000 0.480 539 N N 2.354 121.070 118.700 0.027 0.000 2.437 539 N HA 0.526 5.296 4.740 0.049 0.000 0.243 539 N C -0.469 175.039 175.510 -0.003 0.000 1.041 539 N CA -0.229 52.841 53.050 0.033 0.000 0.940 539 N CB 1.503 40.023 38.487 0.054 0.000 1.133 539 N HN 0.638 nan 8.380 nan 0.000 0.506 540 A N 1.216 124.029 122.820 -0.012 0.000 2.414 540 A HA 0.713 5.062 4.320 0.049 0.000 0.278 540 A C -0.292 177.269 177.584 -0.039 0.000 1.228 540 A CA -0.342 51.669 52.037 -0.042 0.000 0.857 540 A CB 1.437 20.400 19.000 -0.062 0.000 1.389 540 A HN 0.436 nan 8.150 nan 0.000 0.452 541 D N -1.879 118.470 120.400 -0.084 0.000 2.006 541 D HA 0.149 4.818 4.640 0.049 0.000 0.470 541 D C -0.642 175.547 176.300 -0.185 0.000 0.943 541 D CA 0.868 54.790 54.000 -0.131 0.000 0.970 541 D CB 0.592 41.252 40.800 -0.234 0.000 1.599 541 D HN 0.477 nan 8.370 nan 0.000 0.516 542 T N 1.203 115.665 114.554 -0.153 0.000 2.812 542 T HA 0.342 4.721 4.350 0.049 0.000 0.282 542 T C -2.190 172.457 174.700 -0.089 0.000 0.990 542 T CA -1.514 60.508 62.100 -0.130 0.000 0.960 542 T CB 2.612 71.398 68.868 -0.137 0.000 0.948 542 T HN -0.244 nan 8.240 nan 0.000 0.438 543 P HA -0.135 nan 4.420 nan 0.000 0.218 543 P C 1.416 178.685 177.300 -0.051 0.000 1.148 543 P CA 1.028 64.098 63.100 -0.051 0.000 0.822 543 P CB 0.257 31.939 31.700 -0.030 0.000 0.784 544 E N 0.592 120.760 120.200 -0.053 0.000 2.114 544 E HA -0.210 4.169 4.350 0.049 0.000 0.199 544 E C 1.434 177.990 176.600 -0.073 0.000 1.008 544 E CA 1.423 57.792 56.400 -0.050 0.000 0.810 544 E CB -0.806 28.867 29.700 -0.044 0.000 0.739 544 E HN 0.522 nan 8.360 nan 0.000 0.456 545 D N 0.415 120.758 120.400 -0.096 0.000 2.224 545 D HA -0.068 4.601 4.640 0.049 0.000 0.205 545 D C 1.730 177.955 176.300 -0.124 0.000 0.965 545 D CA 0.954 54.871 54.000 -0.139 0.000 0.852 545 D CB -0.393 40.311 40.800 -0.160 0.000 0.947 545 D HN 0.129 nan 8.370 nan 0.000 0.494 546 T N 1.534 116.037 114.554 -0.085 0.000 2.867 546 T HA -0.040 4.340 4.350 0.049 0.000 0.268 546 T C 2.229 176.899 174.700 -0.050 0.000 1.057 546 T CA 0.459 62.521 62.100 -0.063 0.000 1.136 546 T CB -0.009 68.830 68.868 -0.048 0.000 0.874 546 T HN 0.136 nan 8.240 nan 0.000 0.466 547 L N 1.010 122.204 121.223 -0.048 0.000 2.013 547 L HA -0.021 4.349 4.340 0.049 0.000 0.204 547 L C 2.653 179.497 176.870 -0.044 0.000 1.081 547 L CA 1.035 55.855 54.840 -0.033 0.000 0.751 547 L CB -0.611 41.435 42.059 -0.022 0.000 0.901 547 L HN 0.200 nan 8.230 nan 0.000 0.440 548 N N 0.192 118.853 118.700 -0.066 0.000 2.247 548 N HA -0.219 4.550 4.740 0.049 0.000 0.189 548 N C 1.615 177.052 175.510 -0.123 0.000 1.009 548 N CA 1.589 54.586 53.050 -0.087 0.000 0.872 548 N CB -0.030 38.380 38.487 -0.128 0.000 0.980 548 N HN 0.376 nan 8.380 nan 0.000 0.436 549 A N 0.786 123.526 122.820 -0.134 0.000 1.903 549 A HA -0.035 4.314 4.320 0.049 0.000 0.213 549 A C 2.465 180.026 177.584 -0.038 0.000 1.185 549 A CA 1.169 53.137 52.037 -0.114 0.000 0.628 549 A CB -0.663 18.264 19.000 -0.122 0.000 0.830 549 A HN 0.197 nan 8.150 nan 0.000 0.446 550 V N -0.995 118.903 119.914 -0.027 0.000 2.490 550 V HA -0.230 3.920 4.120 0.049 0.000 0.250 550 V C 2.180 178.286 176.094 0.019 0.000 1.061 550 V CA 2.569 64.868 62.300 -0.003 0.000 1.064 550 V CB -1.044 30.777 31.823 -0.004 0.000 0.670 550 V HN 0.518 nan 8.190 nan 0.000 0.461 551 K N 0.875 121.285 120.400 0.017 0.000 2.044 551 K HA -0.110 4.240 4.320 0.049 0.000 0.210 551 K C 1.806 178.464 176.600 0.097 0.000 1.049 551 K CA 2.294 58.608 56.287 0.044 0.000 0.927 551 K CB -0.555 31.962 32.500 0.027 0.000 0.713 551 K HN 0.610 nan 8.250 nan 0.000 0.443 552 L N -0.068 121.218 121.223 0.104 0.000 2.650 552 L HA 0.151 4.521 4.340 0.049 0.000 0.235 552 L C 0.735 177.709 176.870 0.175 0.000 1.149 552 L CA 0.320 55.282 54.840 0.202 0.000 0.887 552 L CB -0.210 41.950 42.059 0.167 0.000 1.021 552 L HN 0.594 nan 8.230 nan 0.000 0.441 553 G N 0.453 109.310 108.800 0.096 0.000 2.248 553 G HA2 -0.152 3.838 3.960 0.049 0.000 0.252 553 G HA3 -0.152 3.838 3.960 0.049 0.000 0.252 553 G C 0.105 175.030 174.900 0.042 0.000 1.085 553 G CA -0.099 45.031 45.100 0.050 0.000 0.845 553 G HN 0.476 nan 8.290 nan 0.000 0.494 554 A N -0.101 122.739 122.820 0.033 0.000 2.289 554 A HA 0.711 5.060 4.320 0.049 0.000 0.298 554 A C 0.825 178.412 177.584 0.006 0.000 1.208 554 A CA -0.167 51.882 52.037 0.020 0.000 0.845 554 A CB 0.448 19.450 19.000 0.003 0.000 1.125 554 A HN 0.467 nan 8.150 nan 0.000 0.517 555 E N 2.070 122.272 120.200 0.003 0.000 2.335 555 E HA 0.391 4.770 4.350 0.049 0.000 0.191 555 E C 0.740 177.314 176.600 -0.044 0.000 1.077 555 E CA 0.403 56.795 56.400 -0.013 0.000 1.010 555 E CB 0.032 29.729 29.700 -0.005 0.000 1.141 555 E HN 1.059 nan 8.360 nan 0.000 0.452 556 G N 1.023 109.795 108.800 -0.046 0.000 2.315 556 G HA2 -0.035 3.954 3.960 0.049 0.000 0.296 556 G HA3 -0.035 3.954 3.960 0.049 0.000 0.296 556 G C -1.349 173.498 174.900 -0.088 0.000 1.289 556 G CA -1.095 43.960 45.100 -0.075 0.000 0.996 556 G HN 0.087 nan 8.290 nan 0.000 0.487 557 I N 1.712 122.209 120.570 -0.121 0.000 2.389 557 I HA 0.477 4.677 4.170 0.049 0.000 0.288 557 I C 1.482 177.495 176.117 -0.174 0.000 0.999 557 I CA -0.045 61.192 61.300 -0.105 0.000 1.129 557 I CB 1.825 39.786 38.000 -0.064 0.000 1.288 557 I HN 0.827 nan 8.210 nan 0.000 0.444 558 G N 6.398 115.149 108.800 -0.081 0.000 2.551 558 G HA2 0.138 4.128 3.960 0.049 0.000 0.216 558 G HA3 0.138 4.128 3.960 0.049 0.000 0.216 558 G C 0.083 175.057 174.900 0.124 0.000 1.137 558 G CA 0.547 45.666 45.100 0.032 0.000 0.798 558 G HN 0.425 nan 8.290 nan 0.000 0.536 559 L N -1.016 120.256 121.223 0.083 0.000 2.611 559 L HA 0.602 4.971 4.340 0.049 0.000 0.260 559 L C -1.834 175.088 176.870 0.087 0.000 0.924 559 L CA -1.080 53.826 54.840 0.111 0.000 0.901 559 L CB 1.478 43.616 42.059 0.131 0.000 1.369 559 L HN -0.120 nan 8.230 nan 0.000 0.415 560 C N 5.320 124.692 119.300 0.121 0.000 2.316 560 C HA 0.661 5.150 4.460 0.049 0.000 0.324 560 C C 0.009 175.124 174.990 0.209 0.000 1.226 560 C CA -0.557 58.543 59.018 0.136 0.000 1.450 560 C CB 0.573 28.387 27.740 0.125 0.000 2.123 560 C HN 0.897 nan 8.230 nan 0.000 0.454 561 R N 3.301 123.917 120.500 0.193 0.000 2.438 561 R HA 0.285 4.655 4.340 0.049 0.000 0.287 561 R C 1.196 177.716 176.300 0.365 0.000 1.077 561 R CA 0.248 56.502 56.100 0.257 0.000 1.034 561 R CB 0.828 31.250 30.300 0.204 0.000 0.993 561 R HN 0.873 nan 8.270 nan 0.000 0.459 562 T N -1.831 112.946 114.554 0.371 0.000 3.023 562 T HA 0.048 4.427 4.350 0.049 0.000 0.253 562 T C 0.996 175.962 174.700 0.442 0.000 1.038 562 T CA -0.107 62.178 62.100 0.309 0.000 0.962 562 T CB 0.268 69.395 68.868 0.432 0.000 1.018 562 T HN 0.455 nan 8.240 nan 0.000 0.521 563 E N 2.130 122.649 120.200 0.533 0.000 2.065 563 E HA -0.249 4.131 4.350 0.049 0.000 0.201 563 E C 1.747 178.833 176.600 0.810 0.000 1.016 563 E CA 2.409 59.210 56.400 0.669 0.000 0.818 563 E CB -0.542 29.449 29.700 0.485 0.000 0.749 563 E HN 1.000 nan 8.360 nan 0.000 0.453 564 H N -0.917 118.410 119.070 0.427 0.000 2.387 564 H HA -0.009 4.575 4.556 0.047 0.000 0.299 564 H C 1.665 177.097 175.328 0.173 0.000 1.090 564 H CA 1.232 57.476 56.048 0.326 0.000 1.332 564 H CB -0.436 29.399 29.762 0.122 0.000 1.386 564 H HN 0.077 nan 8.280 nan 0.000 0.516 565 M N 0.344 119.433 119.600 -0.852 0.000 2.699 565 M HA -0.111 4.399 4.480 0.049 0.000 0.253 565 M C 0.381 176.073 176.300 -1.014 0.000 1.062 565 M CA 1.367 56.082 55.300 -0.975 0.000 1.050 565 M CB -0.396 31.564 32.600 -1.067 0.000 1.380 565 M HN 0.371 nan 8.290 nan 0.000 0.520 566 F N -2.650 117.167 119.950 -0.221 0.000 2.347 566 F HA 0.201 4.760 4.527 0.054 0.000 0.266 566 F C 1.602 177.267 175.800 -0.225 0.000 0.884 566 F CA -0.366 57.453 58.000 -0.301 0.000 1.123 566 F CB -0.768 37.921 39.000 -0.518 0.000 1.098 566 F HN -0.206 nan 8.300 nan 0.000 0.803 567 F N 1.737 121.846 119.950 0.265 0.000 2.087 567 F HA -0.185 4.368 4.527 0.045 0.000 0.299 567 F C 1.461 177.301 175.800 0.067 0.000 1.100 567 F CA 1.375 59.490 58.000 0.191 0.000 1.226 567 F CB -0.756 38.370 39.000 0.209 0.000 0.983 567 F HN -0.025 nan 8.300 nan 0.000 0.479 568 E N 0.756 121.083 120.200 0.211 0.000 2.653 568 E HA -0.090 4.290 4.350 0.049 0.000 0.264 568 E C 1.417 178.015 176.600 -0.004 0.000 0.949 568 E CA 0.202 56.654 56.400 0.087 0.000 0.953 568 E CB 0.736 30.463 29.700 0.045 0.000 0.925 568 E HN 0.313 nan 8.360 nan 0.000 0.475 569 A N 4.134 126.954 122.820 0.001 0.000 2.144 569 A HA -0.298 4.052 4.320 0.049 0.000 0.225 569 A C 1.582 179.117 177.584 -0.083 0.000 1.181 569 A CA 2.586 54.607 52.037 -0.027 0.000 0.680 569 A CB -0.324 18.663 19.000 -0.020 0.000 0.819 569 A HN 0.842 nan 8.150 nan 0.000 0.485 570 D N -3.811 116.492 120.400 -0.162 0.000 2.516 570 D HA 0.124 4.794 4.640 0.049 0.000 0.241 570 D C 1.808 177.861 176.300 -0.412 0.000 1.246 570 D CA -0.058 53.791 54.000 -0.250 0.000 0.808 570 D CB 0.276 40.916 40.800 -0.268 0.000 1.147 570 D HN 0.291 nan 8.370 nan 0.000 0.527 571 R N 0.253 120.523 120.500 -0.383 0.000 2.223 571 R HA 0.152 4.522 4.340 0.049 0.000 0.198 571 R C 1.815 177.967 176.300 -0.246 0.000 0.984 571 R CA -0.112 55.733 56.100 -0.425 0.000 1.018 571 R CB -0.419 29.635 30.300 -0.411 0.000 0.945 571 R HN 0.199 nan 8.270 nan 0.000 0.479 572 I N 2.311 122.776 120.570 -0.174 0.000 2.224 572 I HA -0.305 3.895 4.170 0.049 0.000 0.223 572 I C 1.161 177.199 176.117 -0.132 0.000 0.979 572 I CA 1.736 62.962 61.300 -0.123 0.000 1.295 572 I CB -0.282 37.680 38.000 -0.064 0.000 1.002 572 I HN 0.077 nan 8.210 nan 0.000 0.381 573 M N 0.799 120.332 119.600 -0.111 0.000 3.705 573 M HA 0.006 4.516 4.480 0.049 0.000 0.191 573 M C 0.950 177.193 176.300 -0.094 0.000 1.570 573 M CA 0.728 55.971 55.300 -0.096 0.000 1.714 573 M CB -0.462 32.096 32.600 -0.071 0.000 1.148 573 M HN 0.363 nan 8.290 nan 0.000 0.547 574 K N 0.192 120.527 120.400 -0.109 0.000 2.601 574 K HA 0.204 4.553 4.320 0.049 0.000 0.214 574 K C 1.044 177.586 176.600 -0.097 0.000 1.628 574 K CA 0.078 56.313 56.287 -0.086 0.000 1.036 574 K CB 0.896 33.346 32.500 -0.083 0.000 1.352 574 K HN 0.507 nan 8.250 nan 0.000 0.607 575 I N 0.345 120.826 120.570 -0.148 0.000 3.616 575 I HA 0.072 4.272 4.170 0.049 0.000 0.296 575 I C 1.420 177.414 176.117 -0.204 0.000 1.226 575 I CA 0.042 61.212 61.300 -0.216 0.000 1.394 575 I CB 0.337 38.107 38.000 -0.383 0.000 1.171 575 I HN 0.009 nan 8.210 nan 0.000 0.442 576 R N 0.929 121.330 120.500 -0.165 0.000 2.285 576 R HA -0.133 4.237 4.340 0.049 0.000 0.213 576 R C 1.824 178.070 176.300 -0.090 0.000 1.068 576 R CA 0.712 56.740 56.100 -0.121 0.000 1.004 576 R CB -0.138 30.099 30.300 -0.104 0.000 0.873 576 R HN 0.412 nan 8.270 nan 0.000 0.467 577 K N 0.989 121.337 120.400 -0.086 0.000 2.025 577 K HA -0.007 4.342 4.320 0.049 0.000 0.211 577 K C 2.094 178.661 176.600 -0.055 0.000 1.029 577 K CA 0.424 56.676 56.287 -0.058 0.000 0.948 577 K CB -0.119 32.352 32.500 -0.050 0.000 0.768 577 K HN -0.083 nan 8.250 nan 0.000 0.446 578 M N 1.521 121.084 119.600 -0.062 0.000 2.152 578 M HA -0.290 4.219 4.480 0.049 0.000 0.251 578 M C 1.743 178.010 176.300 -0.055 0.000 1.080 578 M CA 1.993 57.261 55.300 -0.054 0.000 1.079 578 M CB -0.586 31.968 32.600 -0.077 0.000 1.317 578 M HN 0.320 nan 8.290 nan 0.000 0.404 579 I N 0.505 121.014 120.570 -0.102 0.000 2.163 579 I HA -0.264 3.935 4.170 0.049 0.000 0.240 579 I C 1.487 177.587 176.117 -0.030 0.000 1.081 579 I CA 0.938 62.183 61.300 -0.092 0.000 1.353 579 I CB -0.545 37.382 38.000 -0.121 0.000 1.054 579 I HN 0.297 nan 8.210 nan 0.000 0.407 580 L N 2.071 123.274 121.223 -0.033 0.000 2.919 580 L HA 0.143 4.513 4.340 0.049 0.000 0.242 580 L C 0.034 176.903 176.870 -0.002 0.000 1.366 580 L CA -0.159 54.674 54.840 -0.012 0.000 1.212 580 L CB -1.052 40.995 42.059 -0.019 0.000 1.604 580 L HN 0.263 nan 8.230 nan 0.000 0.433 581 S N -2.296 113.410 115.700 0.010 0.000 2.673 581 S HA 0.277 4.776 4.470 0.049 0.000 0.256 581 S C -0.729 173.897 174.600 0.043 0.000 1.141 581 S CA -0.940 57.271 58.200 0.020 0.000 1.109 581 S CB 1.049 64.254 63.200 0.009 0.000 1.101 581 S HN 0.121 nan 8.310 nan 0.000 0.471 582 D N 3.629 124.053 120.400 0.040 0.000 2.402 582 D HA 0.419 5.089 4.640 0.049 0.000 0.235 582 D C -0.177 176.145 176.300 0.037 0.000 1.226 582 D CA 0.762 54.789 54.000 0.046 0.000 0.918 582 D CB 0.692 41.515 40.800 0.038 0.000 1.043 582 D HN 0.953 nan 8.370 nan 0.000 0.506 583 S N -0.791 114.935 115.700 0.043 0.000 2.995 583 S HA -0.069 4.431 4.470 0.049 0.000 0.270 583 S C 0.421 175.045 174.600 0.039 0.000 0.575 583 S CA -0.890 57.329 58.200 0.032 0.000 0.637 583 S CB -0.391 62.823 63.200 0.023 0.000 0.828 583 S HN 0.024 nan 8.310 nan 0.000 0.637 584 V N 2.509 122.442 119.914 0.032 0.000 2.332 584 V HA -0.258 3.891 4.120 0.049 0.000 0.248 584 V C 2.737 178.850 176.094 0.032 0.000 1.055 584 V CA 2.634 64.956 62.300 0.037 0.000 1.038 584 V CB -1.286 30.551 31.823 0.023 0.000 0.651 584 V HN 1.079 nan 8.190 nan 0.000 0.450 585 E N 1.694 121.907 120.200 0.021 0.000 2.333 585 E HA -0.121 4.259 4.350 0.049 0.000 0.198 585 E C 1.792 178.402 176.600 0.016 0.000 1.007 585 E CA 1.563 57.972 56.400 0.016 0.000 0.845 585 E CB -0.456 29.250 29.700 0.010 0.000 0.766 585 E HN 0.549 nan 8.360 nan 0.000 0.507 586 A N 1.457 124.289 122.820 0.021 0.000 1.887 586 A HA 0.070 4.419 4.320 0.049 0.000 0.212 586 A C 2.144 179.740 177.584 0.019 0.000 1.198 586 A CA 0.729 52.776 52.037 0.017 0.000 0.628 586 A CB -0.158 18.853 19.000 0.018 0.000 0.847 586 A HN 0.155 nan 8.150 nan 0.000 0.449 587 R N 0.454 120.974 120.500 0.034 0.000 2.193 587 R HA -0.094 4.276 4.340 0.049 0.000 0.229 587 R C 1.702 178.023 176.300 0.035 0.000 1.110 587 R CA 1.410 57.535 56.100 0.042 0.000 0.988 587 R CB -0.238 30.119 30.300 0.095 0.000 0.871 587 R HN 0.669 nan 8.270 nan 0.000 0.458 588 E N 0.667 120.886 120.200 0.031 0.000 2.060 588 E HA -0.091 4.288 4.350 0.049 0.000 0.189 588 E C 1.777 178.385 176.600 0.014 0.000 0.974 588 E CA 0.285 56.699 56.400 0.023 0.000 0.808 588 E CB 0.074 29.786 29.700 0.019 0.000 0.768 588 E HN 0.247 nan 8.360 nan 0.000 0.453 589 E N 1.243 121.450 120.200 0.011 0.000 2.055 589 E HA -0.297 4.083 4.350 0.049 0.000 0.209 589 E C 2.176 178.782 176.600 0.009 0.000 1.036 589 E CA 1.404 57.809 56.400 0.007 0.000 0.849 589 E CB -0.417 29.287 29.700 0.006 0.000 0.767 589 E HN 0.223 nan 8.360 nan 0.000 0.461 590 A N 1.526 124.349 122.820 0.006 0.000 1.859 590 A HA -0.232 4.118 4.320 0.049 0.000 0.218 590 A C 2.485 180.073 177.584 0.007 0.000 1.209 590 A CA 2.026 54.063 52.037 -0.000 0.000 0.639 590 A CB -1.111 17.880 19.000 -0.016 0.000 0.835 590 A HN 0.237 nan 8.150 nan 0.000 0.450 591 L N -0.306 120.921 121.223 0.007 0.000 2.081 591 L HA -0.236 4.133 4.340 0.049 0.000 0.212 591 L C 2.005 178.886 176.870 0.019 0.000 1.080 591 L CA 1.384 56.234 54.840 0.017 0.000 0.754 591 L CB -0.761 41.309 42.059 0.019 0.000 0.893 591 L HN 0.420 nan 8.230 nan 0.000 0.433 592 N N 0.043 118.751 118.700 0.013 0.000 2.453 592 N HA -0.142 4.627 4.740 0.049 0.000 0.183 592 N C 1.528 177.043 175.510 0.009 0.000 1.041 592 N CA 0.898 53.951 53.050 0.006 0.000 0.900 592 N CB -0.070 38.416 38.487 -0.001 0.000 0.961 592 N HN 0.544 nan 8.380 nan 0.000 0.443 593 E N 0.257 120.477 120.200 0.034 0.000 2.190 593 E HA 0.084 4.464 4.350 0.049 0.000 0.191 593 E C 1.633 178.340 176.600 0.179 0.000 0.978 593 E CA 0.184 56.629 56.400 0.075 0.000 0.839 593 E CB 0.094 29.850 29.700 0.094 0.000 0.787 593 E HN 0.253 nan 8.360 nan 0.000 0.473 594 L N 1.092 122.405 121.223 0.149 0.000 2.376 594 L HA -0.055 4.315 4.340 0.049 0.000 0.219 594 L C 2.180 179.125 176.870 0.126 0.000 1.133 594 L CA 0.289 55.263 54.840 0.224 0.000 0.816 594 L CB -0.251 41.792 42.059 -0.026 0.000 0.933 594 L HN 0.183 nan 8.230 nan 0.000 0.449 595 I N 0.615 121.203 120.570 0.031 0.000 2.113 595 I HA -0.318 3.881 4.170 0.049 0.000 0.242 595 I C -0.270 175.819 176.117 -0.047 0.000 1.057 595 I CA 1.944 63.236 61.300 -0.013 0.000 1.314 595 I CB -1.644 36.343 38.000 -0.022 0.000 1.022 595 I HN 0.261 nan 8.210 nan 0.000 0.408 596 P HA -0.183 nan 4.420 nan 0.000 0.213 596 P C 1.763 178.935 177.300 -0.213 0.000 1.170 596 P CA 1.788 64.733 63.100 -0.259 0.000 0.898 596 P CB -0.252 31.109 31.700 -0.566 0.000 0.787 597 F N 0.628 120.526 119.950 -0.087 0.000 2.063 597 F HA -0.232 4.325 4.527 0.050 0.000 0.298 597 F C 2.636 178.335 175.800 -0.169 0.000 1.109 597 F CA 1.644 59.568 58.000 -0.127 0.000 1.212 597 F CB -1.691 37.213 39.000 -0.160 0.000 0.973 597 F HN -0.015 nan 8.300 nan 0.000 0.480 598 Q N 0.214 120.006 119.800 -0.014 0.000 2.291 598 Q HA -0.168 4.202 4.340 0.049 0.000 0.205 598 Q C 2.102 178.086 176.000 -0.028 0.000 0.970 598 Q CA 0.862 56.552 55.803 -0.189 0.000 0.876 598 Q CB -0.343 28.268 28.738 -0.211 0.000 0.935 598 Q HN 0.454 nan 8.270 nan 0.000 0.455 599 K N 1.062 121.519 120.400 0.094 0.000 2.147 599 K HA -0.127 4.222 4.320 0.049 0.000 0.205 599 K C 1.923 178.604 176.600 0.134 0.000 1.049 599 K CA 1.303 57.695 56.287 0.176 0.000 0.936 599 K CB -0.178 32.365 32.500 0.071 0.000 0.722 599 K HN 0.260 nan 8.250 nan 0.000 0.446 600 G N 1.293 110.118 108.800 0.042 0.000 2.414 600 G HA2 -0.236 3.753 3.960 0.049 0.000 0.215 600 G HA3 -0.236 3.753 3.960 0.049 0.000 0.215 600 G C 1.049 175.956 174.900 0.012 0.000 1.188 600 G CA 0.843 45.961 45.100 0.031 0.000 0.783 600 G HN 0.308 nan 8.290 nan 0.000 0.537 601 D N 0.929 121.268 120.400 -0.101 0.000 2.160 601 D HA -0.159 4.510 4.640 0.049 0.000 0.189 601 D C 2.214 178.402 176.300 -0.187 0.000 1.003 601 D CA 1.031 54.905 54.000 -0.211 0.000 0.846 601 D CB -0.557 39.981 40.800 -0.437 0.000 0.949 601 D HN 0.288 nan 8.370 nan 0.000 0.446 602 F N 1.446 121.397 119.950 0.002 0.000 2.126 602 F HA -0.136 4.420 4.527 0.048 0.000 0.299 602 F C 2.390 178.240 175.800 0.084 0.000 1.096 602 F CA 0.933 58.910 58.000 -0.039 0.000 1.255 602 F CB -0.457 38.593 39.000 0.084 0.000 0.997 602 F HN -0.084 nan 8.300 nan 0.000 0.479 603 K N 0.098 120.696 120.400 0.329 0.000 2.026 603 K HA -0.143 4.206 4.320 0.049 0.000 0.208 603 K C 2.387 179.100 176.600 0.189 0.000 1.048 603 K CA 1.268 57.725 56.287 0.282 0.000 0.929 603 K CB -0.747 31.858 32.500 0.175 0.000 0.713 603 K HN 0.248 nan 8.250 nan 0.000 0.439 604 A N 2.040 124.921 122.820 0.101 0.000 1.859 604 A HA -0.231 4.118 4.320 0.049 0.000 0.217 604 A C 2.228 179.844 177.584 0.054 0.000 1.198 604 A CA 1.949 54.020 52.037 0.057 0.000 0.629 604 A CB -0.508 18.502 19.000 0.016 0.000 0.830 604 A HN 0.148 nan 8.150 nan 0.000 0.446 605 M N -1.551 118.056 119.600 0.012 0.000 2.110 605 M HA -0.211 4.298 4.480 0.049 0.000 0.257 605 M C 2.182 178.496 176.300 0.023 0.000 1.071 605 M CA 1.706 56.980 55.300 -0.044 0.000 1.096 605 M CB -1.891 30.615 32.600 -0.156 0.000 1.300 605 M HN 0.507 nan 8.290 nan 0.000 0.411 606 Y N 0.880 121.230 120.300 0.084 0.000 2.049 606 Y HA -0.212 4.368 4.550 0.050 0.000 0.277 606 Y C 2.561 178.482 175.900 0.036 0.000 1.143 606 Y CA 1.590 59.727 58.100 0.061 0.000 1.115 606 Y CB -0.998 37.505 38.460 0.072 0.000 0.975 606 Y HN 0.267 nan 8.280 nan 0.000 0.487 607 K N -0.265 120.270 120.400 0.225 0.000 2.127 607 K HA -0.266 4.084 4.320 0.049 0.000 0.208 607 K C 2.268 178.917 176.600 0.082 0.000 1.047 607 K CA 1.283 57.642 56.287 0.119 0.000 0.927 607 K CB -0.484 32.071 32.500 0.092 0.000 0.716 607 K HN 0.338 nan 8.250 nan 0.000 0.450 608 A N 1.533 124.396 122.820 0.073 0.000 1.832 608 A HA -0.124 4.225 4.320 0.049 0.000 0.214 608 A C 2.139 179.749 177.584 0.043 0.000 1.200 608 A CA 1.177 53.238 52.037 0.040 0.000 0.610 608 A CB -0.755 18.255 19.000 0.016 0.000 0.842 608 A HN 0.174 nan 8.150 nan 0.000 0.444 609 L N 0.495 121.753 121.223 0.058 0.000 2.263 609 L HA -0.190 4.179 4.340 0.049 0.000 0.216 609 L C 0.881 177.787 176.870 0.060 0.000 1.111 609 L CA 1.108 55.982 54.840 0.056 0.000 0.773 609 L CB -1.010 41.098 42.059 0.081 0.000 0.906 609 L HN 0.748 nan 8.230 nan 0.000 0.439 610 E N 0.210 120.453 120.200 0.072 0.000 1.867 610 E HA -0.308 4.072 4.350 0.049 0.000 0.164 610 E C 0.921 177.542 176.600 0.036 0.000 1.355 610 E CA 0.247 56.677 56.400 0.051 0.000 0.575 610 E CB -1.776 27.944 29.700 0.033 0.000 1.037 610 E HN 0.567 nan 8.360 nan 0.000 0.286 611 G N 1.111 109.938 108.800 0.044 0.000 2.279 611 G HA2 -0.355 3.635 3.960 0.049 0.000 0.223 611 G HA3 -0.355 3.635 3.960 0.049 0.000 0.223 611 G C 0.470 175.381 174.900 0.019 0.000 1.015 611 G CA -0.033 45.081 45.100 0.023 0.000 0.621 611 G HN 0.491 nan 8.290 nan 0.000 0.506 612 R N 2.093 122.606 120.500 0.022 0.000 2.585 612 R HA 0.411 4.781 4.340 0.049 0.000 0.275 612 R C -1.884 174.414 176.300 -0.003 0.000 1.018 612 R CA -0.475 55.624 56.100 -0.001 0.000 1.072 612 R CB 0.240 30.540 30.300 -0.001 0.000 0.953 612 R HN 0.243 nan 8.270 nan 0.000 0.419 613 P HA 0.043 nan 4.420 nan 0.000 0.272 613 P C -0.889 176.357 177.300 -0.090 0.000 1.254 613 P CA -0.074 62.969 63.100 -0.093 0.000 0.795 613 P CB 0.552 32.135 31.700 -0.196 0.000 1.022 614 M N -0.561 118.977 119.600 -0.103 0.000 2.355 614 M HA 0.197 4.706 4.480 0.049 0.000 0.232 614 M C -1.607 174.635 176.300 -0.097 0.000 0.988 614 M CA -0.136 55.111 55.300 -0.088 0.000 0.931 614 M CB 1.104 33.675 32.600 -0.048 0.000 2.294 614 M HN 0.037 nan 8.290 nan 0.000 0.459 615 T N 4.250 118.723 114.554 -0.134 0.000 2.749 615 T HA 0.493 4.873 4.350 0.049 0.000 0.295 615 T C -0.473 174.267 174.700 0.067 0.000 0.936 615 T CA -0.257 61.793 62.100 -0.084 0.000 1.060 615 T CB 0.471 69.281 68.868 -0.097 0.000 0.904 615 T HN 0.464 nan 8.240 nan 0.000 0.500 616 V N 5.289 125.283 119.914 0.133 0.000 2.311 616 V HA 0.456 4.605 4.120 0.049 0.000 0.275 616 V C 0.522 176.777 176.094 0.268 0.000 1.022 616 V CA -1.114 61.318 62.300 0.220 0.000 0.830 616 V CB 0.725 32.684 31.823 0.226 0.000 1.012 616 V HN 0.677 nan 8.190 nan 0.000 0.452 617 R N 3.421 124.089 120.500 0.280 0.000 2.390 617 R HA 0.272 4.642 4.340 0.049 0.000 0.291 617 R C -0.881 175.677 176.300 0.430 0.000 1.070 617 R CA -0.321 55.947 56.100 0.279 0.000 1.014 617 R CB 0.650 31.082 30.300 0.220 0.000 1.007 617 R HN 0.587 nan 8.270 nan 0.000 0.466 618 Y N 2.112 122.518 120.300 0.177 0.000 2.281 618 Y HA 0.048 4.626 4.550 0.047 0.000 0.337 618 Y C 0.916 176.913 175.900 0.162 0.000 1.304 618 Y CA -0.950 57.254 58.100 0.172 0.000 1.465 618 Y CB 0.123 38.667 38.460 0.140 0.000 1.350 618 Y HN 0.482 nan 8.280 nan 0.000 0.575 619 L N 1.714 123.094 121.223 0.261 0.000 2.543 619 L HA -0.088 4.281 4.340 0.049 0.000 0.285 619 L C 0.916 177.874 176.870 0.147 0.000 1.236 619 L CA 0.885 55.810 54.840 0.141 0.000 0.871 619 L CB 0.023 42.013 42.059 -0.116 0.000 1.121 619 L HN 0.742 nan 8.230 nan 0.000 0.501 620 D N 2.975 123.469 120.400 0.157 0.000 3.105 620 D HA 0.185 4.855 4.640 0.049 0.000 0.291 620 D C -1.986 174.365 176.300 0.085 0.000 1.218 620 D CA 0.125 54.197 54.000 0.121 0.000 1.029 620 D CB -0.038 40.834 40.800 0.120 0.000 1.207 620 D HN 0.404 nan 8.370 nan 0.000 0.437 621 P HA 0.101 nan 4.420 nan 0.000 0.266 621 P C -2.496 174.807 177.300 0.005 0.000 1.193 621 P CA -0.524 62.555 63.100 -0.034 0.000 0.770 621 P CB -0.087 31.473 31.700 -0.233 0.000 0.836 622 P HA 0.139 nan 4.420 nan 0.000 0.277 622 P C 1.202 178.538 177.300 0.059 0.000 1.276 622 P CA -0.240 62.856 63.100 -0.007 0.000 0.788 622 P CB 0.392 32.089 31.700 -0.004 0.000 1.114 623 L N -0.978 120.286 121.223 0.068 0.000 2.079 623 L HA -0.234 4.136 4.340 0.049 0.000 0.210 623 L C 2.610 179.571 176.870 0.153 0.000 1.081 623 L CA 1.580 56.516 54.840 0.161 0.000 0.752 623 L CB -1.253 40.779 42.059 -0.046 0.000 0.896 623 L HN 0.544 nan 8.230 nan 0.000 0.433 624 H N 1.249 120.334 119.070 0.025 0.000 2.353 624 H HA -0.212 4.382 4.556 0.063 0.000 0.298 624 H C 1.995 177.391 175.328 0.113 0.000 1.103 624 H CA 2.062 58.145 56.048 0.058 0.000 1.293 624 H CB 0.167 29.936 29.762 0.011 0.000 1.372 624 H HN 0.464 nan 8.280 nan 0.000 0.501 625 E N -0.412 119.788 120.200 0.000 0.000 2.267 625 E HA -0.174 4.205 4.350 0.049 0.000 0.197 625 E C 0.750 177.294 176.600 -0.094 0.000 0.998 625 E CA 0.715 57.070 56.400 -0.076 0.000 0.830 625 E CB -0.097 29.427 29.700 -0.293 0.000 0.751 625 E HN 0.423 nan 8.360 nan 0.000 0.491 626 F N 0.126 120.059 119.950 -0.029 0.000 2.713 626 F HA 0.136 4.697 4.527 0.057 0.000 0.294 626 F C 0.279 175.920 175.800 -0.264 0.000 1.152 626 F CA -0.419 57.419 58.000 -0.271 0.000 1.385 626 F CB 0.389 39.147 39.000 -0.403 0.000 0.981 626 F HN -0.237 nan 8.300 nan 0.000 0.514 627 V N -2.480 117.313 119.914 -0.202 0.000 2.851 627 V HA 0.621 4.770 4.120 0.049 0.000 0.307 627 V C -2.928 172.767 176.094 -0.665 0.000 1.129 627 V CA -2.844 59.264 62.300 -0.320 0.000 0.932 627 V CB 2.279 33.949 31.823 -0.254 0.000 1.024 627 V HN -0.140 nan 8.190 nan 0.000 0.426 628 P HA 0.196 nan 4.420 nan 0.000 0.262 628 P C -0.093 176.962 177.300 -0.407 0.000 1.199 628 P CA 0.549 63.407 63.100 -0.403 0.000 0.763 628 P CB -0.040 31.556 31.700 -0.173 0.000 0.790 629 H N -0.395 118.662 119.070 -0.022 0.000 2.539 629 H HA 0.058 4.648 4.556 0.057 0.000 0.267 629 H C 1.015 176.359 175.328 0.027 0.000 0.982 629 H CA 0.118 56.174 56.048 0.014 0.000 1.146 629 H CB -0.065 29.726 29.762 0.049 0.000 1.382 629 H HN 0.415 nan 8.280 nan 0.000 0.577 630 T N -2.252 112.332 114.554 0.051 0.000 2.934 630 T HA 0.134 4.513 4.350 0.049 0.000 0.283 630 T C 1.108 175.822 174.700 0.024 0.000 1.005 630 T CA -0.868 61.259 62.100 0.044 0.000 1.041 630 T CB 2.560 71.443 68.868 0.026 0.000 1.042 630 T HN 0.261 nan 8.240 nan 0.000 0.505 631 E N -0.143 120.074 120.200 0.028 0.000 2.230 631 E HA -0.098 4.282 4.350 0.049 0.000 0.192 631 E C 1.855 178.461 176.600 0.009 0.000 0.987 631 E CA 0.324 56.736 56.400 0.020 0.000 0.841 631 E CB 0.140 29.855 29.700 0.025 0.000 0.783 631 E HN 0.874 nan 8.360 nan 0.000 0.481 632 E N 1.006 121.211 120.200 0.008 0.000 2.007 632 E HA -0.239 4.140 4.350 0.049 0.000 0.194 632 E C 1.936 178.533 176.600 -0.005 0.000 0.999 632 E CA 1.017 57.419 56.400 0.003 0.000 0.811 632 E CB -0.049 29.654 29.700 0.006 0.000 0.762 632 E HN 0.128 nan 8.360 nan 0.000 0.450 633 E N 0.113 120.306 120.200 -0.012 0.000 2.268 633 E HA -0.179 4.201 4.350 0.049 0.000 0.195 633 E C 2.088 178.669 176.600 -0.033 0.000 0.995 633 E CA 0.763 57.148 56.400 -0.025 0.000 0.836 633 E CB 0.084 29.762 29.700 -0.036 0.000 0.763 633 E HN 0.411 nan 8.360 nan 0.000 0.491 634 Q N -0.433 119.351 119.800 -0.027 0.000 2.083 634 Q HA -0.080 4.289 4.340 0.049 0.000 0.198 634 Q C 2.135 178.126 176.000 -0.015 0.000 0.969 634 Q CA 1.213 57.002 55.803 -0.024 0.000 0.838 634 Q CB -0.056 28.674 28.738 -0.013 0.000 0.900 634 Q HN 0.208 nan 8.270 nan 0.000 0.436 635 A N 0.786 123.601 122.820 -0.008 0.000 1.933 635 A HA -0.230 4.120 4.320 0.049 0.000 0.218 635 A C 1.714 179.292 177.584 -0.009 0.000 1.175 635 A CA 1.528 53.562 52.037 -0.005 0.000 0.628 635 A CB -0.343 18.656 19.000 -0.002 0.000 0.814 635 A HN 0.249 nan 8.150 nan 0.000 0.444 636 E N -0.599 119.593 120.200 -0.012 0.000 1.992 636 E HA -0.158 4.222 4.350 0.049 0.000 0.202 636 E C 1.862 178.451 176.600 -0.018 0.000 1.007 636 E CA 1.196 57.587 56.400 -0.015 0.000 0.857 636 E CB -0.533 29.156 29.700 -0.018 0.000 0.796 636 E HN 0.361 nan 8.360 nan 0.000 0.486 637 L N 0.824 122.031 121.223 -0.026 0.000 2.082 637 L HA -0.353 4.016 4.340 0.049 0.000 0.223 637 L C 1.951 178.806 176.870 -0.024 0.000 1.086 637 L CA 2.573 57.395 54.840 -0.031 0.000 0.793 637 L CB -1.195 40.839 42.059 -0.042 0.000 0.896 637 L HN 0.241 nan 8.230 nan 0.000 0.441 638 A N -0.875 121.933 122.820 -0.019 0.000 1.837 638 A HA -0.325 4.024 4.320 0.049 0.000 0.216 638 A C 2.312 179.889 177.584 -0.011 0.000 1.210 638 A CA 2.345 54.375 52.037 -0.013 0.000 0.632 638 A CB -0.943 18.052 19.000 -0.008 0.000 0.843 638 A HN 0.459 nan 8.150 nan 0.000 0.448 639 K N -0.129 120.266 120.400 -0.009 0.000 2.044 639 K HA -0.242 4.107 4.320 0.049 0.000 0.224 639 K C 1.574 178.169 176.600 -0.009 0.000 1.056 639 K CA 2.346 58.628 56.287 -0.007 0.000 0.962 639 K CB -0.500 31.997 32.500 -0.007 0.000 0.730 639 K HN 0.533 nan 8.250 nan 0.000 0.453 640 N N -0.350 118.343 118.700 -0.012 0.000 2.513 640 N HA -0.144 4.626 4.740 0.049 0.000 0.187 640 N C 1.151 176.653 175.510 -0.013 0.000 1.056 640 N CA 1.083 54.125 53.050 -0.013 0.000 0.907 640 N CB 0.003 38.480 38.487 -0.017 0.000 0.954 640 N HN 0.386 nan 8.380 nan 0.000 0.445 641 M N -1.695 117.897 119.600 -0.013 0.000 2.367 641 M HA 0.171 4.681 4.480 0.049 0.000 0.256 641 M C 0.771 177.067 176.300 -0.007 0.000 1.091 641 M CA 0.145 55.438 55.300 -0.012 0.000 1.049 641 M CB 0.498 33.089 32.600 -0.015 0.000 1.406 641 M HN 0.114 nan 8.290 nan 0.000 0.498 642 G N 2.607 111.404 108.800 -0.006 0.000 2.249 642 G HA2 -0.233 3.756 3.960 0.049 0.000 0.273 642 G HA3 -0.233 3.756 3.960 0.049 0.000 0.273 642 G C -0.136 174.763 174.900 -0.002 0.000 1.036 642 G CA 0.220 45.318 45.100 -0.003 0.000 0.824 642 G HN 0.404 nan 8.290 nan 0.000 0.504 643 L N -0.809 120.412 121.223 -0.002 0.000 2.286 643 L HA 0.636 5.005 4.340 0.049 0.000 0.265 643 L C 0.628 177.498 176.870 0.000 0.000 1.012 643 L CA -1.009 53.831 54.840 -0.000 0.000 0.818 643 L CB 1.935 43.993 42.059 -0.002 0.000 1.337 643 L HN 0.096 nan 8.230 nan 0.000 0.438 644 T N 1.195 115.750 114.554 0.003 0.000 2.882 644 T HA 0.140 4.520 4.350 0.049 0.000 0.287 644 T C 0.953 175.655 174.700 0.004 0.000 0.992 644 T CA -0.458 61.644 62.100 0.003 0.000 1.076 644 T CB 1.483 70.354 68.868 0.005 0.000 0.961 644 T HN 0.467 nan 8.240 nan 0.000 0.490 645 L N 3.232 124.457 121.223 0.003 0.000 2.197 645 L HA -0.143 4.226 4.340 0.049 0.000 0.215 645 L C 2.290 179.165 176.870 0.008 0.000 1.095 645 L CA 2.189 57.031 54.840 0.004 0.000 0.764 645 L CB -0.774 41.287 42.059 0.004 0.000 0.897 645 L HN 0.794 nan 8.230 nan 0.000 0.436 646 A N -0.924 121.902 122.820 0.009 0.000 1.930 646 A HA -0.121 4.228 4.320 0.049 0.000 0.215 646 A C 2.140 179.733 177.584 0.014 0.000 1.176 646 A CA 1.328 53.373 52.037 0.012 0.000 0.632 646 A CB -0.475 18.532 19.000 0.011 0.000 0.819 646 A HN 0.600 nan 8.150 nan 0.000 0.445 647 E N -0.491 119.716 120.200 0.011 0.000 2.208 647 E HA -0.059 4.320 4.350 0.049 0.000 0.193 647 E C 1.821 178.428 176.600 0.013 0.000 0.988 647 E CA 0.922 57.329 56.400 0.012 0.000 0.828 647 E CB -0.068 29.637 29.700 0.010 0.000 0.763 647 E HN 0.386 nan 8.360 nan 0.000 0.478 648 V N 1.328 121.248 119.914 0.009 0.000 2.302 648 V HA -0.207 3.942 4.120 0.049 0.000 0.243 648 V C 2.069 178.172 176.094 0.016 0.000 1.036 648 V CA 1.401 63.704 62.300 0.005 0.000 1.020 648 V CB -0.292 31.527 31.823 -0.007 0.000 0.657 648 V HN 0.164 nan 8.190 nan 0.000 0.453 649 K N 0.477 120.889 120.400 0.020 0.000 2.032 649 K HA -0.303 4.046 4.320 0.049 0.000 0.218 649 K C 2.277 178.904 176.600 0.045 0.000 1.054 649 K CA 1.936 58.244 56.287 0.035 0.000 0.941 649 K CB -0.710 31.809 32.500 0.032 0.000 0.720 649 K HN 0.468 nan 8.250 nan 0.000 0.449 650 A N 1.798 124.639 122.820 0.035 0.000 1.927 650 A HA -0.260 4.090 4.320 0.049 0.000 0.220 650 A C 2.112 179.723 177.584 0.045 0.000 1.185 650 A CA 2.281 54.339 52.037 0.035 0.000 0.639 650 A CB -0.410 18.606 19.000 0.027 0.000 0.820 650 A HN 0.202 nan 8.150 nan 0.000 0.451 651 K N -0.472 119.952 120.400 0.041 0.000 2.228 651 K HA 0.075 4.425 4.320 0.049 0.000 0.202 651 K C 1.270 177.907 176.600 0.062 0.000 1.051 651 K CA 1.281 57.596 56.287 0.046 0.000 0.960 651 K CB -0.341 32.178 32.500 0.031 0.000 0.743 651 K HN 0.213 nan 8.250 nan 0.000 0.458 652 V N 0.993 120.945 119.914 0.063 0.000 3.541 652 V HA -0.033 4.116 4.120 0.049 0.000 0.267 652 V C 1.118 177.319 176.094 0.179 0.000 1.213 652 V CA 1.280 63.636 62.300 0.094 0.000 1.149 652 V CB -0.131 31.722 31.823 0.051 0.000 0.822 652 V HN 0.270 nan 8.190 nan 0.000 0.462 653 D N 0.660 121.134 120.400 0.123 0.000 2.290 653 D HA -0.055 4.615 4.640 0.049 0.000 0.224 653 D C 2.071 178.430 176.300 0.098 0.000 0.967 653 D CA 0.680 54.745 54.000 0.108 0.000 0.893 653 D CB 0.039 40.873 40.800 0.057 0.000 1.037 653 D HN 0.501 nan 8.370 nan 0.000 0.477 654 E N 0.176 120.424 120.200 0.080 0.000 2.455 654 E HA -0.122 4.257 4.350 0.049 0.000 0.202 654 E C 1.559 178.214 176.600 0.091 0.000 1.045 654 E CA 0.354 56.794 56.400 0.068 0.000 0.872 654 E CB -0.057 29.682 29.700 0.064 0.000 0.792 654 E HN 0.361 nan 8.360 nan 0.000 0.542 655 L N 0.218 121.529 121.223 0.146 0.000 2.591 655 L HA 0.050 4.419 4.340 0.049 0.000 0.228 655 L C 0.920 177.859 176.870 0.115 0.000 1.133 655 L CA -0.101 54.856 54.840 0.195 0.000 0.880 655 L CB -0.174 42.080 42.059 0.324 0.000 1.033 655 L HN 0.167 nan 8.230 nan 0.000 0.450 656 H N 1.637 120.653 119.070 -0.090 0.000 2.878 656 H HA 0.130 4.724 4.556 0.063 0.000 0.290 656 H C -0.224 174.897 175.328 -0.344 0.000 1.065 656 H CA -0.193 55.681 56.048 -0.289 0.000 1.477 656 H CB 0.465 30.073 29.762 -0.258 0.000 1.484 656 H HN 0.078 nan 8.280 nan 0.000 0.504 657 E N 5.152 124.966 120.200 -0.643 0.000 2.191 657 E HA 0.019 4.398 4.350 0.049 0.000 0.278 657 E C 0.103 176.384 176.600 -0.532 0.000 0.972 657 E CA -0.527 55.601 56.400 -0.454 0.000 0.804 657 E CB 1.145 30.694 29.700 -0.252 0.000 1.110 657 E HN 0.678 nan 8.360 nan 0.000 0.394 658 F N 1.068 120.997 119.950 -0.034 0.000 2.259 658 F HA -0.040 4.485 4.527 -0.002 0.000 0.298 658 F C 0.880 176.653 175.800 -0.045 0.000 1.088 658 F CA 0.704 58.728 58.000 0.041 0.000 1.358 658 F CB 0.088 39.134 39.000 0.076 0.000 1.040 658 F HN 0.261 nan 8.300 nan 0.000 0.505 659 N N 0.660 119.413 118.700 0.089 0.000 2.648 659 N HA 0.155 4.925 4.740 0.049 0.000 0.261 659 N C -2.313 173.181 175.510 -0.027 0.000 1.138 659 N CA -1.217 51.851 53.050 0.030 0.000 0.804 659 N CB 1.654 40.182 38.487 0.068 0.000 1.237 659 N HN -0.230 nan 8.380 nan 0.000 0.532 660 P HA -0.192 nan 4.420 nan 0.000 0.222 660 P C 1.171 178.444 177.300 -0.045 0.000 1.142 660 P CA 1.189 64.231 63.100 -0.095 0.000 0.788 660 P CB 0.368 31.991 31.700 -0.130 0.000 0.767 661 M N -2.151 117.435 119.600 -0.022 0.000 2.394 661 M HA 0.084 4.593 4.480 0.049 0.000 0.266 661 M C 1.078 177.386 176.300 0.013 0.000 1.098 661 M CA 1.308 56.604 55.300 -0.007 0.000 1.149 661 M CB 0.114 32.712 32.600 -0.004 0.000 1.369 661 M HN -0.179 nan 8.290 nan 0.000 0.450 662 M N 0.185 119.798 119.600 0.023 0.000 2.778 662 M HA 0.292 4.801 4.480 0.049 0.000 0.359 662 M C 0.439 176.766 176.300 0.044 0.000 1.216 662 M CA -0.316 55.005 55.300 0.036 0.000 0.935 662 M CB 0.566 33.191 32.600 0.041 0.000 1.330 662 M HN 0.190 nan 8.290 nan 0.000 0.516 663 G N -0.810 108.016 108.800 0.044 0.000 3.134 663 G HA2 0.205 4.194 3.960 0.049 0.000 0.158 663 G HA3 0.205 4.194 3.960 0.049 0.000 0.158 663 G C -0.779 174.198 174.900 0.128 0.000 1.334 663 G CA -0.380 44.759 45.100 0.065 0.000 1.001 663 G HN 0.503 nan 8.290 nan 0.000 0.600 664 H N 1.031 120.109 119.070 0.014 0.000 2.872 664 H HA 0.483 5.065 4.556 0.042 0.000 0.273 664 H C 0.141 175.495 175.328 0.043 0.000 1.205 664 H CA -0.431 55.640 56.048 0.037 0.000 1.342 664 H CB -0.074 29.722 29.762 0.055 0.000 1.469 664 H HN 0.498 nan 8.280 nan 0.000 0.487 665 R N 2.566 123.120 120.500 0.090 0.000 2.712 665 R HA 0.455 4.824 4.340 0.049 0.000 0.272 665 R C -0.013 176.321 176.300 0.056 0.000 1.032 665 R CA -0.337 55.777 56.100 0.022 0.000 0.874 665 R CB 0.515 30.832 30.300 0.030 0.000 1.256 665 R HN 0.606 nan 8.270 nan 0.000 0.468 666 G N 0.495 109.328 108.800 0.055 0.000 2.583 666 G HA2 -0.490 3.499 3.960 0.049 0.000 0.292 666 G HA3 -0.490 3.499 3.960 0.049 0.000 0.292 666 G C 1.167 176.131 174.900 0.107 0.000 1.203 666 G CA 1.188 46.341 45.100 0.088 0.000 0.987 666 G HN 1.682 nan 8.290 nan 0.000 0.554 667 C N 0.436 119.803 119.300 0.112 0.000 2.411 667 C HA 0.125 4.614 4.460 0.049 0.000 0.279 667 C C 2.870 177.936 174.990 0.127 0.000 1.288 667 C CA 2.145 61.238 59.018 0.125 0.000 1.764 667 C CB -1.392 26.404 27.740 0.094 0.000 1.974 667 C HN 0.698 nan 8.230 nan 0.000 0.498 668 R N 0.891 121.468 120.500 0.128 0.000 2.115 668 R HA 0.183 4.552 4.340 0.049 0.000 0.226 668 R C 2.282 178.731 176.300 0.249 0.000 1.100 668 R CA 0.865 57.068 56.100 0.173 0.000 0.980 668 R CB -0.863 29.564 30.300 0.212 0.000 0.875 668 R HN 0.577 nan 8.270 nan 0.000 0.445 669 L N -0.021 121.279 121.223 0.129 0.000 2.079 669 L HA -0.112 4.258 4.340 0.049 0.000 0.210 669 L C 1.191 178.181 176.870 0.200 0.000 1.081 669 L CA 1.366 56.198 54.840 -0.013 0.000 0.752 669 L CB -0.234 41.771 42.059 -0.090 0.000 0.896 669 L HN 0.247 nan 8.230 nan 0.000 0.433 670 A N -1.560 121.374 122.820 0.189 0.000 2.640 670 A HA 0.311 4.661 4.320 0.049 0.000 0.282 670 A C 1.124 178.863 177.584 0.258 0.000 1.357 670 A CA -0.116 52.055 52.037 0.225 0.000 0.946 670 A CB 0.021 19.139 19.000 0.197 0.000 1.065 670 A HN 0.199 nan 8.150 nan 0.000 0.541 671 V N -0.888 119.155 119.914 0.215 0.000 3.635 671 V HA 0.017 4.166 4.120 0.049 0.000 0.266 671 V C 1.804 177.926 176.094 0.047 0.000 1.316 671 V CA 1.667 64.027 62.300 0.100 0.000 1.060 671 V CB 0.323 32.041 31.823 -0.175 0.000 0.820 671 V HN 0.720 nan 8.190 nan 0.000 0.447 672 T N -3.444 111.113 114.554 0.005 0.000 3.058 672 T HA 0.287 4.666 4.350 0.049 0.000 0.278 672 T C -0.119 174.120 174.700 -0.769 0.000 0.974 672 T CA 0.079 61.996 62.100 -0.305 0.000 0.893 672 T CB -0.016 68.660 68.868 -0.320 0.000 1.138 672 T HN 0.317 nan 8.240 nan 0.000 0.529 673 Y N 1.049 121.405 120.300 0.094 0.000 2.517 673 Y HA 0.422 5.001 4.550 0.047 0.000 0.346 673 Y C -2.718 173.225 175.900 0.072 0.000 1.113 673 Y CA -2.345 55.785 58.100 0.050 0.000 1.295 673 Y CB 1.563 40.018 38.460 -0.009 0.000 1.094 673 Y HN -0.030 nan 8.280 nan 0.000 0.608 674 P HA 0.068 nan 4.420 nan 0.000 0.255 674 P C 0.389 177.751 177.300 0.102 0.000 1.248 674 P CA 0.596 63.792 63.100 0.159 0.000 0.807 674 P CB 0.448 32.239 31.700 0.151 0.000 1.150 675 E N -0.225 120.036 120.200 0.101 0.000 2.274 675 E HA -0.063 4.316 4.350 0.049 0.000 0.194 675 E C 1.745 178.371 176.600 0.044 0.000 0.996 675 E CA 0.608 57.048 56.400 0.066 0.000 0.840 675 E CB -0.395 29.352 29.700 0.078 0.000 0.772 675 E HN 0.216 nan 8.360 nan 0.000 0.491 676 I N 1.328 121.930 120.570 0.053 0.000 2.233 676 I HA -0.188 4.012 4.170 0.049 0.000 0.243 676 I C 2.530 178.609 176.117 -0.063 0.000 1.093 676 I CA 0.988 62.279 61.300 -0.014 0.000 1.380 676 I CB -1.016 36.955 38.000 -0.047 0.000 1.067 676 I HN 0.095 nan 8.210 nan 0.000 0.413 677 A N 1.404 124.220 122.820 -0.006 0.000 1.873 677 A HA -0.265 4.085 4.320 0.049 0.000 0.218 677 A C 2.371 179.936 177.584 -0.032 0.000 1.193 677 A CA 1.982 54.021 52.037 0.003 0.000 0.629 677 A CB -0.634 18.455 19.000 0.149 0.000 0.826 677 A HN 0.340 nan 8.150 nan 0.000 0.447 678 K N -1.191 119.213 120.400 0.006 0.000 1.987 678 K HA -0.201 4.148 4.320 0.049 0.000 0.216 678 K C 2.262 178.848 176.600 -0.024 0.000 1.051 678 K CA 1.815 58.100 56.287 -0.003 0.000 0.942 678 K CB -0.344 32.160 32.500 0.007 0.000 0.722 678 K HN 0.558 nan 8.250 nan 0.000 0.444 679 M N 1.382 120.971 119.600 -0.019 0.000 2.159 679 M HA -0.242 4.268 4.480 0.049 0.000 0.263 679 M C 1.826 178.108 176.300 -0.030 0.000 1.063 679 M CA 1.808 57.102 55.300 -0.011 0.000 1.110 679 M CB -0.261 32.351 32.600 0.019 0.000 1.374 679 M HN 0.204 nan 8.290 nan 0.000 0.411 680 Q N -0.616 119.117 119.800 -0.111 0.000 2.046 680 Q HA -0.122 4.248 4.340 0.049 0.000 0.200 680 Q C 1.857 177.768 176.000 -0.148 0.000 0.975 680 Q CA 2.269 57.949 55.803 -0.204 0.000 0.836 680 Q CB -0.322 28.070 28.738 -0.577 0.000 0.896 680 Q HN 0.557 nan 8.270 nan 0.000 0.428 681 T N 1.058 115.551 114.554 -0.103 0.000 2.607 681 T HA -0.260 4.119 4.350 0.049 0.000 0.267 681 T C 1.729 176.401 174.700 -0.048 0.000 1.049 681 T CA 1.638 63.756 62.100 0.030 0.000 1.162 681 T CB -0.333 68.553 68.868 0.029 0.000 0.863 681 T HN 0.261 nan 8.240 nan 0.000 0.424 682 R N 0.979 121.452 120.500 -0.045 0.000 2.082 682 R HA -0.112 4.257 4.340 0.049 0.000 0.234 682 R C 2.759 179.043 176.300 -0.027 0.000 1.136 682 R CA 1.658 57.733 56.100 -0.042 0.000 0.935 682 R CB -0.659 29.624 30.300 -0.029 0.000 0.842 682 R HN 0.413 nan 8.270 nan 0.000 0.430 683 A N -0.020 122.810 122.820 0.017 0.000 1.940 683 A HA -0.136 4.213 4.320 0.049 0.000 0.219 683 A C 2.261 179.878 177.584 0.054 0.000 1.176 683 A CA 1.837 53.942 52.037 0.113 0.000 0.631 683 A CB -0.506 18.644 19.000 0.249 0.000 0.814 683 A HN 0.264 nan 8.150 nan 0.000 0.446 684 V N -0.461 119.296 119.914 -0.261 0.000 2.379 684 V HA -0.229 3.921 4.120 0.049 0.000 0.245 684 V C 2.638 178.619 176.094 -0.189 0.000 1.044 684 V CA 1.775 63.719 62.300 -0.593 0.000 1.036 684 V CB -0.659 30.802 31.823 -0.604 0.000 0.664 684 V HN 0.471 nan 8.190 nan 0.000 0.453 685 M N -0.176 119.342 119.600 -0.137 0.000 2.099 685 M HA -0.124 4.386 4.480 0.049 0.000 0.262 685 M C 2.190 178.440 176.300 -0.083 0.000 1.067 685 M CA 1.679 56.909 55.300 -0.118 0.000 1.124 685 M CB -1.119 31.392 32.600 -0.148 0.000 1.353 685 M HN 0.411 nan 8.290 nan 0.000 0.410 686 E N 0.139 120.310 120.200 -0.048 0.000 2.072 686 E HA -0.097 4.283 4.350 0.049 0.000 0.191 686 E C 2.075 178.671 176.600 -0.007 0.000 0.985 686 E CA 1.234 57.617 56.400 -0.028 0.000 0.801 686 E CB -0.139 29.552 29.700 -0.016 0.000 0.750 686 E HN 0.488 nan 8.360 nan 0.000 0.452 687 A N 1.407 124.257 122.820 0.050 0.000 1.902 687 A HA -0.157 4.193 4.320 0.049 0.000 0.217 687 A C 2.352 179.942 177.584 0.010 0.000 1.181 687 A CA 1.794 53.902 52.037 0.119 0.000 0.623 687 A CB -0.659 18.537 19.000 0.325 0.000 0.818 687 A HN 0.302 nan 8.150 nan 0.000 0.443 688 A N -0.025 122.726 122.820 -0.115 0.000 1.855 688 A HA -0.030 4.320 4.320 0.049 0.000 0.215 688 A C 2.116 179.551 177.584 -0.247 0.000 1.191 688 A CA 1.386 53.159 52.037 -0.440 0.000 0.613 688 A CB -0.633 18.068 19.000 -0.497 0.000 0.829 688 A HN 0.477 nan 8.150 nan 0.000 0.442 689 I N -0.017 120.469 120.570 -0.141 0.000 2.052 689 I HA -0.353 3.846 4.170 0.049 0.000 0.235 689 I C 2.600 178.672 176.117 -0.075 0.000 1.046 689 I CA 2.124 63.368 61.300 -0.094 0.000 1.308 689 I CB -0.711 37.248 38.000 -0.067 0.000 1.031 689 I HN 0.461 nan 8.210 nan 0.000 0.395 690 E N 0.392 120.561 120.200 -0.052 0.000 2.070 690 E HA -0.231 4.148 4.350 0.049 0.000 0.197 690 E C 2.237 178.814 176.600 -0.037 0.000 1.004 690 E CA 1.774 58.154 56.400 -0.034 0.000 0.805 690 E CB -0.389 29.302 29.700 -0.015 0.000 0.744 690 E HN 0.347 nan 8.360 nan 0.000 0.451 691 V N 1.943 121.829 119.914 -0.047 0.000 2.407 691 V HA -0.223 3.927 4.120 0.049 0.000 0.248 691 V C 2.382 178.433 176.094 -0.070 0.000 1.055 691 V CA 1.520 63.794 62.300 -0.044 0.000 1.049 691 V CB -0.509 31.300 31.823 -0.023 0.000 0.662 691 V HN 0.183 nan 8.190 nan 0.000 0.455 692 K N 0.295 120.629 120.400 -0.110 0.000 2.283 692 K HA -0.161 4.188 4.320 0.049 0.000 0.202 692 K C 1.775 178.342 176.600 -0.056 0.000 1.048 692 K CA 1.347 57.578 56.287 -0.093 0.000 0.948 692 K CB 0.038 32.472 32.500 -0.110 0.000 0.742 692 K HN 0.699 nan 8.250 nan 0.000 0.458 693 E N 0.564 120.735 120.200 -0.048 0.000 2.013 693 E HA -0.136 4.243 4.350 0.049 0.000 0.194 693 E C 1.312 177.898 176.600 -0.023 0.000 0.973 693 E CA 0.880 57.261 56.400 -0.032 0.000 0.842 693 E CB -0.360 29.324 29.700 -0.028 0.000 0.801 693 E HN 0.332 nan 8.360 nan 0.000 0.476 694 E N 0.769 120.958 120.200 -0.018 0.000 2.505 694 E HA -0.178 4.202 4.350 0.049 0.000 0.208 694 E C 1.076 177.671 176.600 -0.007 0.000 1.148 694 E CA 1.371 57.765 56.400 -0.011 0.000 0.926 694 E CB -0.529 29.168 29.700 -0.005 0.000 0.873 694 E HN 0.406 nan 8.360 nan 0.000 0.595 695 T N -6.433 108.114 114.554 -0.011 0.000 3.073 695 T HA 0.322 4.701 4.350 0.049 0.000 0.264 695 T C 1.589 176.282 174.700 -0.011 0.000 0.893 695 T CA 0.059 62.154 62.100 -0.008 0.000 0.863 695 T CB 0.326 69.190 68.868 -0.007 0.000 1.247 695 T HN 0.303 nan 8.240 nan 0.000 0.546 696 G N 1.508 110.298 108.800 -0.017 0.000 2.189 696 G HA2 -0.239 3.750 3.960 0.049 0.000 0.267 696 G HA3 -0.239 3.750 3.960 0.049 0.000 0.267 696 G C -0.015 174.874 174.900 -0.019 0.000 0.975 696 G CA 0.470 45.560 45.100 -0.017 0.000 0.644 696 G HN 0.752 nan 8.290 nan 0.000 0.537 697 I N 1.000 121.557 120.570 -0.021 0.000 2.677 697 I HA 0.477 4.677 4.170 0.049 0.000 0.305 697 I C 0.265 176.360 176.117 -0.036 0.000 0.988 697 I CA -1.142 60.145 61.300 -0.021 0.000 1.260 697 I CB 1.194 39.187 38.000 -0.012 0.000 1.410 697 I HN 0.140 nan 8.210 nan 0.000 0.523 698 D N 6.313 126.695 120.400 -0.030 0.000 2.210 698 D HA 0.278 4.948 4.640 0.049 0.000 0.249 698 D C -1.311 174.958 176.300 -0.051 0.000 1.078 698 D CA -0.145 53.832 54.000 -0.038 0.000 0.875 698 D CB 1.002 41.790 40.800 -0.021 0.000 1.175 698 D HN 0.144 nan 8.370 nan 0.000 0.440 699 I N 4.308 124.829 120.570 -0.083 0.000 2.529 699 I HA 0.102 4.301 4.170 0.049 0.000 0.284 699 I C -0.338 175.733 176.117 -0.075 0.000 1.088 699 I CA -0.767 60.459 61.300 -0.123 0.000 1.062 699 I CB 1.702 39.489 38.000 -0.354 0.000 1.218 699 I HN 0.161 nan 8.210 nan 0.000 0.442 700 V N 7.866 127.787 119.914 0.012 0.000 2.204 700 V HA 0.251 4.401 4.120 0.049 0.000 0.264 700 V C -2.054 174.126 176.094 0.143 0.000 1.106 700 V CA -1.649 60.701 62.300 0.083 0.000 0.947 700 V CB 0.571 32.464 31.823 0.117 0.000 1.164 700 V HN 0.514 nan 8.190 nan 0.000 0.461 701 P HA -0.059 nan 4.420 nan 0.000 0.259 701 P C -0.096 177.340 177.300 0.227 0.000 1.155 701 P CA 0.707 63.923 63.100 0.194 0.000 0.759 701 P CB 0.452 32.244 31.700 0.153 0.000 0.753 702 E N 3.129 123.412 120.200 0.139 0.000 2.070 702 E HA 0.312 4.691 4.350 0.049 0.000 0.261 702 E C -0.206 176.523 176.600 0.214 0.000 0.926 702 E CA -0.421 56.018 56.400 0.065 0.000 0.760 702 E CB 0.349 29.868 29.700 -0.300 0.000 1.133 702 E HN 0.418 nan 8.360 nan 0.000 0.420 703 I N 3.922 124.700 120.570 0.346 0.000 2.301 703 I HA 0.220 4.419 4.170 0.049 0.000 0.292 703 I C -0.081 176.045 176.117 0.015 0.000 1.046 703 I CA -0.117 61.251 61.300 0.113 0.000 1.282 703 I CB 0.567 38.579 38.000 0.019 0.000 1.409 703 I HN 0.393 nan 8.210 nan 0.000 0.484 704 M N 7.623 127.187 119.600 -0.059 0.000 2.114 704 M HA 0.458 4.967 4.480 0.049 0.000 0.332 704 M C -1.025 175.179 176.300 -0.160 0.000 1.014 704 M CA -0.715 54.571 55.300 -0.024 0.000 0.956 704 M CB 0.888 33.651 32.600 0.272 0.000 1.551 704 M HN 0.325 nan 8.290 nan 0.000 0.427 705 I N 8.384 128.840 120.570 -0.190 0.000 2.322 705 I HA 0.332 4.531 4.170 0.049 0.000 0.292 705 I C -2.166 173.941 176.117 -0.017 0.000 1.060 705 I CA -2.320 58.931 61.300 -0.082 0.000 1.309 705 I CB -0.185 37.766 38.000 -0.083 0.000 1.415 705 I HN 0.485 nan 8.210 nan 0.000 0.492 706 P HA 0.199 nan 4.420 nan 0.000 0.281 706 P C 0.219 177.543 177.300 0.040 0.000 1.264 706 P CA -0.606 62.525 63.100 0.052 0.000 0.824 706 P CB 1.919 33.676 31.700 0.095 0.000 1.092 707 L N 0.072 121.308 121.223 0.021 0.000 4.040 707 L HA -0.148 4.222 4.340 0.049 0.000 0.410 707 L C -0.898 175.977 176.870 0.008 0.000 1.187 707 L CA 0.524 55.376 54.840 0.019 0.000 0.956 707 L CB -2.141 39.944 42.059 0.044 0.000 2.022 707 L HN 0.080 nan 8.230 nan 0.000 0.897 708 V N 0.704 120.607 119.914 -0.017 0.000 2.479 708 V HA 0.367 4.516 4.120 0.049 0.000 0.281 708 V C 1.862 177.938 176.094 -0.030 0.000 1.031 708 V CA 0.987 63.275 62.300 -0.021 0.000 1.038 708 V CB 0.766 32.564 31.823 -0.041 0.000 0.981 708 V HN 0.584 nan 8.190 nan 0.000 0.478 709 G N 5.224 114.017 108.800 -0.012 0.000 2.473 709 G HA2 0.017 4.007 3.960 0.049 0.000 0.212 709 G HA3 0.017 4.007 3.960 0.049 0.000 0.212 709 G C 0.459 175.347 174.900 -0.019 0.000 1.211 709 G CA 0.719 45.810 45.100 -0.015 0.000 0.813 709 G HN 0.764 nan 8.290 nan 0.000 0.541 710 E N -1.250 118.945 120.200 -0.008 0.000 2.370 710 E HA 0.524 4.904 4.350 0.049 0.000 0.259 710 E C 0.945 177.551 176.600 0.010 0.000 0.947 710 E CA -0.918 55.481 56.400 -0.001 0.000 0.809 710 E CB 1.671 31.373 29.700 0.004 0.000 1.300 710 E HN -0.052 nan 8.360 nan 0.000 0.419 711 K N 0.580 120.992 120.400 0.020 0.000 1.965 711 K HA -0.189 4.161 4.320 0.049 0.000 0.220 711 K C 1.658 178.284 176.600 0.042 0.000 1.046 711 K CA 1.977 58.284 56.287 0.032 0.000 0.974 711 K CB -0.346 32.175 32.500 0.036 0.000 0.738 711 K HN 0.485 nan 8.250 nan 0.000 0.444 712 K N 0.743 121.169 120.400 0.044 0.000 2.207 712 K HA -0.273 4.076 4.320 0.049 0.000 0.208 712 K C 2.119 178.773 176.600 0.090 0.000 1.046 712 K CA 1.933 58.257 56.287 0.062 0.000 0.929 712 K CB -0.170 32.358 32.500 0.048 0.000 0.720 712 K HN 0.373 nan 8.250 nan 0.000 0.463 713 E N 0.908 121.145 120.200 0.061 0.000 1.998 713 E HA -0.205 4.175 4.350 0.049 0.000 0.196 713 E C 2.023 178.698 176.600 0.124 0.000 1.003 713 E CA 1.196 57.633 56.400 0.063 0.000 0.829 713 E CB -0.122 29.592 29.700 0.024 0.000 0.777 713 E HN 0.222 nan 8.360 nan 0.000 0.460 714 L N 1.547 122.820 121.223 0.082 0.000 2.263 714 L HA -0.224 4.145 4.340 0.049 0.000 0.216 714 L C 2.204 179.131 176.870 0.095 0.000 1.111 714 L CA 1.858 56.744 54.840 0.078 0.000 0.773 714 L CB -0.260 41.814 42.059 0.026 0.000 0.906 714 L HN 0.061 nan 8.230 nan 0.000 0.439 715 K N -0.979 119.482 120.400 0.101 0.000 2.057 715 K HA -0.245 4.105 4.320 0.049 0.000 0.207 715 K C 2.039 178.719 176.600 0.133 0.000 1.049 715 K CA 1.837 58.179 56.287 0.093 0.000 0.931 715 K CB -0.412 32.138 32.500 0.084 0.000 0.714 715 K HN 0.382 nan 8.250 nan 0.000 0.440 716 F N 1.210 121.175 119.950 0.026 0.000 2.025 716 F HA -0.325 4.233 4.527 0.052 0.000 0.297 716 F C 2.001 177.828 175.800 0.046 0.000 1.132 716 F CA 1.945 59.965 58.000 0.033 0.000 1.191 716 F CB -0.456 38.564 39.000 0.033 0.000 0.963 716 F HN -0.190 nan 8.300 nan 0.000 0.481 717 V N 0.577 120.683 119.914 0.320 0.000 2.332 717 V HA -0.356 3.794 4.120 0.049 0.000 0.248 717 V C 2.401 178.568 176.094 0.121 0.000 1.055 717 V CA 2.356 64.788 62.300 0.220 0.000 1.038 717 V CB -0.925 31.040 31.823 0.237 0.000 0.651 717 V HN 0.357 nan 8.190 nan 0.000 0.450 718 K N 0.154 120.608 120.400 0.090 0.000 2.057 718 K HA -0.262 4.087 4.320 0.049 0.000 0.207 718 K C 1.797 178.428 176.600 0.051 0.000 1.049 718 K CA 2.141 58.468 56.287 0.068 0.000 0.931 718 K CB -0.298 32.230 32.500 0.046 0.000 0.714 718 K HN 0.441 nan 8.250 nan 0.000 0.440 719 D N -0.054 120.350 120.400 0.006 0.000 2.265 719 D HA -0.119 4.550 4.640 0.049 0.000 0.208 719 D C 1.629 177.897 176.300 -0.054 0.000 0.977 719 D CA 0.684 54.661 54.000 -0.038 0.000 0.871 719 D CB 0.284 41.027 40.800 -0.094 0.000 0.925 719 D HN 0.024 nan 8.370 nan 0.000 0.485 720 V N -0.659 119.226 119.914 -0.048 0.000 2.278 720 V HA -0.145 4.004 4.120 0.049 0.000 0.238 720 V C 2.459 178.568 176.094 0.024 0.000 1.039 720 V CA 0.684 62.965 62.300 -0.032 0.000 1.017 720 V CB -0.593 31.225 31.823 -0.007 0.000 0.657 720 V HN 0.020 nan 8.190 nan 0.000 0.462 721 V N -0.016 119.949 119.914 0.084 0.000 2.250 721 V HA -0.318 3.831 4.120 0.049 0.000 0.253 721 V C 2.451 178.573 176.094 0.046 0.000 1.065 721 V CA 2.346 64.715 62.300 0.114 0.000 1.039 721 V CB -0.752 31.189 31.823 0.197 0.000 0.647 721 V HN 0.374 nan 8.190 nan 0.000 0.446 722 V N 0.895 120.862 119.914 0.088 0.000 2.231 722 V HA -0.341 3.809 4.120 0.049 0.000 0.248 722 V C 2.672 178.786 176.094 0.034 0.000 1.054 722 V CA 2.727 65.100 62.300 0.122 0.000 1.015 722 V CB -0.769 31.156 31.823 0.170 0.000 0.638 722 V HN 0.935 nan 8.190 nan 0.000 0.444 723 E N -0.145 120.064 120.200 0.016 0.000 2.209 723 E HA -0.187 4.192 4.350 0.049 0.000 0.196 723 E C 1.647 178.231 176.600 -0.027 0.000 0.993 723 E CA 1.906 58.302 56.400 -0.006 0.000 0.819 723 E CB -0.677 29.013 29.700 -0.017 0.000 0.745 723 E HN 0.446 nan 8.360 nan 0.000 0.477 724 V N 0.502 120.394 119.914 -0.036 0.000 2.725 724 V HA 0.094 4.243 4.120 0.049 0.000 0.247 724 V C 2.243 178.280 176.094 -0.095 0.000 1.058 724 V CA 1.153 63.423 62.300 -0.050 0.000 1.080 724 V CB -0.257 31.545 31.823 -0.034 0.000 0.713 724 V HN 0.489 nan 8.190 nan 0.000 0.465 725 A N -0.840 121.882 122.820 -0.163 0.000 2.167 725 A HA -0.036 4.314 4.320 0.049 0.000 0.214 725 A C 2.086 179.516 177.584 -0.257 0.000 1.151 725 A CA 0.921 52.763 52.037 -0.325 0.000 0.735 725 A CB -0.157 18.408 19.000 -0.724 0.000 0.802 725 A HN 0.402 nan 8.150 nan 0.000 0.467 726 E N -0.989 119.140 120.200 -0.120 0.000 2.364 726 E HA -0.029 4.350 4.350 0.049 0.000 0.196 726 E C 1.884 178.465 176.600 -0.031 0.000 0.990 726 E CA 0.433 56.816 56.400 -0.030 0.000 0.886 726 E CB 0.054 29.774 29.700 0.034 0.000 0.866 726 E HN 0.806 nan 8.360 nan 0.000 0.493 727 Q N 0.299 120.072 119.800 -0.044 0.000 2.297 727 Q HA 0.027 4.396 4.340 0.049 0.000 0.203 727 Q C 2.042 178.015 176.000 -0.044 0.000 0.931 727 Q CA 0.388 56.169 55.803 -0.036 0.000 0.885 727 Q CB 0.461 29.180 28.738 -0.032 0.000 0.991 727 Q HN 0.055 nan 8.270 nan 0.000 0.498 728 V N 1.489 121.366 119.914 -0.063 0.000 2.343 728 V HA -0.156 3.993 4.120 0.049 0.000 0.247 728 V C 0.542 176.604 176.094 -0.054 0.000 1.051 728 V CA 1.379 63.641 62.300 -0.063 0.000 1.036 728 V CB -0.225 31.547 31.823 -0.086 0.000 0.654 728 V HN 0.217 nan 8.190 nan 0.000 0.451 729 K N 1.743 122.109 120.400 -0.056 0.000 1.981 729 K HA -0.042 4.308 4.320 0.049 0.000 0.220 729 K C 0.744 177.327 176.600 -0.028 0.000 1.176 729 K CA 0.396 56.660 56.287 -0.038 0.000 1.181 729 K CB -0.375 32.111 32.500 -0.024 0.000 1.218 729 K HN 0.654 nan 8.250 nan 0.000 0.260 730 K N 0.279 120.661 120.400 -0.029 0.000 2.520 730 K HA 0.082 4.432 4.320 0.049 0.000 0.206 730 K C -0.085 176.500 176.600 -0.024 0.000 1.122 730 K CA -0.242 56.030 56.287 -0.025 0.000 1.045 730 K CB 0.596 33.080 32.500 -0.026 0.000 0.932 730 K HN 0.167 nan 8.250 nan 0.000 0.571 731 E N 2.433 122.617 120.200 -0.027 0.000 2.499 731 E HA 0.103 4.483 4.350 0.049 0.000 0.199 731 E C -0.907 175.679 176.600 -0.023 0.000 1.016 731 E CA -0.159 56.226 56.400 -0.026 0.000 0.933 731 E CB 0.293 29.975 29.700 -0.031 0.000 1.050 731 E HN 0.319 nan 8.360 nan 0.000 0.462 732 K N -1.296 119.092 120.400 -0.020 0.000 5.574 732 K HA -0.067 4.283 4.320 0.049 0.000 0.709 732 K C 0.361 176.953 176.600 -0.015 0.000 1.185 732 K CA 0.158 56.435 56.287 -0.017 0.000 0.941 732 K CB -0.830 31.660 32.500 -0.017 0.000 1.145 732 K HN 0.059 nan 8.250 nan 0.000 0.480 733 G N 1.820 110.613 108.800 -0.011 0.000 2.631 733 G HA2 -0.166 3.824 3.960 0.049 0.000 0.221 733 G HA3 -0.166 3.824 3.960 0.049 0.000 0.221 733 G C 0.062 174.959 174.900 -0.004 0.000 1.095 733 G CA 1.071 46.166 45.100 -0.008 0.000 0.727 733 G HN 1.080 nan 8.290 nan 0.000 0.587 734 S N -0.934 114.762 115.700 -0.007 0.000 3.585 734 S HA -0.153 4.346 4.470 0.049 0.000 0.838 734 S C 0.437 175.039 174.600 0.004 0.000 1.320 734 S CA 1.045 59.242 58.200 -0.005 0.000 0.956 734 S CB -0.158 63.036 63.200 -0.010 0.000 0.463 734 S HN 0.808 nan 8.310 nan 0.000 0.392 735 D N -1.070 119.332 120.400 0.003 0.000 2.527 735 D HA 0.247 4.916 4.640 0.049 0.000 0.224 735 D C 0.304 176.613 176.300 0.016 0.000 1.217 735 D CA -0.458 53.545 54.000 0.005 0.000 0.819 735 D CB -0.136 40.661 40.800 -0.005 0.000 1.061 735 D HN 0.464 nan 8.370 nan 0.000 0.515 736 M N 1.864 121.480 119.600 0.026 0.000 2.290 736 M HA 0.040 4.550 4.480 0.049 0.000 0.356 736 M C -0.268 176.107 176.300 0.126 0.000 1.448 736 M CA 0.480 55.808 55.300 0.045 0.000 0.993 736 M CB 0.351 32.962 32.600 0.018 0.000 1.934 736 M HN -0.075 nan 8.290 nan 0.000 0.461 737 Q N 4.788 124.647 119.800 0.098 0.000 2.306 737 Q HA 0.600 4.970 4.340 0.049 0.000 0.241 737 Q C -1.473 174.684 176.000 0.261 0.000 0.948 737 Q CA -0.081 55.779 55.803 0.096 0.000 0.886 737 Q CB 1.080 29.846 28.738 0.046 0.000 1.227 737 Q HN 0.756 nan 8.270 nan 0.000 0.457 738 Y N -2.557 117.721 120.300 -0.038 0.000 2.380 738 Y HA 0.346 4.925 4.550 0.048 0.000 0.320 738 Y C -1.842 174.060 175.900 0.004 0.000 1.272 738 Y CA -1.072 57.054 58.100 0.044 0.000 1.165 738 Y CB 0.843 39.329 38.460 0.043 0.000 1.319 738 Y HN 0.624 nan 8.280 nan 0.000 0.443 739 H N 4.872 124.011 119.070 0.116 0.000 2.529 739 H HA 0.571 5.156 4.556 0.049 0.000 0.348 739 H C -1.023 174.513 175.328 0.346 0.000 1.079 739 H CA -1.055 55.074 56.048 0.135 0.000 1.198 739 H CB 2.844 32.733 29.762 0.212 0.000 1.521 739 H HN 0.654 nan 8.280 nan 0.000 0.514 740 I N 2.827 123.548 120.570 0.252 0.000 2.306 740 I HA 0.263 4.463 4.170 0.049 0.000 0.288 740 I C 0.843 176.771 176.117 -0.314 0.000 1.036 740 I CA -0.104 61.230 61.300 0.057 0.000 1.221 740 I CB 1.153 39.173 38.000 0.033 0.000 1.385 740 I HN 0.608 nan 8.210 nan 0.000 0.472 741 G N 3.352 111.474 108.800 -1.130 0.000 2.820 741 G HA2 0.706 4.695 3.960 0.049 0.000 0.291 741 G HA3 0.706 4.695 3.960 0.049 0.000 0.291 741 G C -0.977 173.351 174.900 -0.953 0.000 1.323 741 G CA -0.360 43.499 45.100 -2.067 0.000 1.055 741 G HN 0.393 nan 8.290 nan 0.000 0.520 742 T N -0.449 113.765 114.554 -0.567 0.000 2.894 742 T HA 0.460 4.839 4.350 0.049 0.000 0.309 742 T C -0.574 174.021 174.700 -0.175 0.000 1.208 742 T CA -0.662 61.285 62.100 -0.255 0.000 1.016 742 T CB 1.291 70.054 68.868 -0.175 0.000 1.192 742 T HN 0.315 nan 8.240 nan 0.000 0.491 743 M N 4.122 123.653 119.600 -0.115 0.000 2.143 743 M HA 0.289 4.798 4.480 0.049 0.000 0.348 743 M C -0.010 176.165 176.300 -0.208 0.000 1.375 743 M CA -0.436 54.797 55.300 -0.112 0.000 1.124 743 M CB 0.558 33.145 32.600 -0.021 0.000 1.669 743 M HN 0.450 nan 8.290 nan 0.000 0.469 744 I N 4.308 124.663 120.570 -0.358 0.000 2.571 744 I HA -0.001 4.198 4.170 0.049 0.000 0.282 744 I C 1.499 177.549 176.117 -0.113 0.000 1.085 744 I CA 0.465 61.509 61.300 -0.426 0.000 1.677 744 I CB -1.120 36.290 38.000 -0.983 0.000 1.460 744 I HN 0.652 nan 8.210 nan 0.000 0.693 745 E N 0.593 120.756 120.200 -0.061 0.000 2.481 745 E HA 0.180 4.560 4.350 0.049 0.000 0.198 745 E C 0.105 176.716 176.600 0.017 0.000 1.027 745 E CA -0.008 56.400 56.400 0.014 0.000 0.900 745 E CB 0.614 30.327 29.700 0.021 0.000 0.993 745 E HN 0.219 nan 8.360 nan 0.000 0.482 746 I N 1.452 122.020 120.570 -0.003 0.000 2.785 746 I HA 0.234 4.434 4.170 0.049 0.000 0.302 746 I C -1.878 174.243 176.117 0.007 0.000 1.069 746 I CA -3.131 58.173 61.300 0.007 0.000 1.045 746 I CB 2.251 40.249 38.000 -0.003 0.000 1.236 746 I HN -0.232 nan 8.210 nan 0.000 0.429 747 P HA -0.175 nan 4.420 nan 0.000 0.214 747 P C 1.664 178.970 177.300 0.010 0.000 1.163 747 P CA 1.384 64.497 63.100 0.021 0.000 0.883 747 P CB 0.152 31.868 31.700 0.026 0.000 0.788 748 R N 0.137 120.639 120.500 0.003 0.000 2.096 748 R HA -0.144 4.226 4.340 0.049 0.000 0.240 748 R C 2.272 178.563 176.300 -0.014 0.000 1.139 748 R CA 2.050 58.150 56.100 -0.001 0.000 0.952 748 R CB -1.112 29.187 30.300 -0.001 0.000 0.854 748 R HN 0.091 nan 8.270 nan 0.000 0.436 749 A N 0.266 123.064 122.820 -0.035 0.000 1.933 749 A HA -0.082 4.267 4.320 0.049 0.000 0.218 749 A C 2.346 179.853 177.584 -0.129 0.000 1.175 749 A CA 1.704 53.691 52.037 -0.084 0.000 0.628 749 A CB -0.837 18.101 19.000 -0.103 0.000 0.814 749 A HN 0.562 nan 8.150 nan 0.000 0.444 750 A N -0.450 122.322 122.820 -0.079 0.000 1.929 750 A HA 0.091 4.440 4.320 0.049 0.000 0.216 750 A C 2.140 179.723 177.584 -0.002 0.000 1.176 750 A CA 1.204 53.213 52.037 -0.046 0.000 0.628 750 A CB -0.521 18.506 19.000 0.044 0.000 0.816 750 A HN 0.452 nan 8.150 nan 0.000 0.444 751 L N -0.123 121.103 121.223 0.006 0.000 1.944 751 L HA -0.173 4.197 4.340 0.049 0.000 0.218 751 L C 2.188 179.075 176.870 0.028 0.000 1.075 751 L CA 1.934 56.786 54.840 0.021 0.000 0.767 751 L CB -0.830 41.239 42.059 0.017 0.000 0.890 751 L HN 0.503 nan 8.230 nan 0.000 0.434 752 T N -1.704 112.862 114.554 0.019 0.000 3.393 752 T HA 0.337 4.717 4.350 0.049 0.000 0.248 752 T C 1.441 176.173 174.700 0.053 0.000 0.992 752 T CA 0.331 62.451 62.100 0.032 0.000 0.929 752 T CB 0.170 69.052 68.868 0.024 0.000 1.065 752 T HN 0.341 nan 8.240 nan 0.000 0.597 753 A N 3.189 126.044 122.820 0.059 0.000 1.940 753 A HA -0.269 4.080 4.320 0.049 0.000 0.221 753 A C 2.308 180.042 177.584 0.249 0.000 1.190 753 A CA 2.033 54.149 52.037 0.132 0.000 0.647 753 A CB -0.699 18.392 19.000 0.150 0.000 0.821 753 A HN 0.724 nan 8.150 nan 0.000 0.457 754 D N -0.179 120.312 120.400 0.151 0.000 2.264 754 D HA 0.060 4.730 4.640 0.049 0.000 0.208 754 D C 1.632 177.981 176.300 0.082 0.000 0.966 754 D CA 1.424 55.490 54.000 0.109 0.000 0.864 754 D CB -0.257 40.589 40.800 0.076 0.000 0.933 754 D HN 0.409 nan 8.370 nan 0.000 0.499 755 A N 0.625 123.493 122.820 0.081 0.000 1.956 755 A HA 0.191 4.540 4.320 0.049 0.000 0.212 755 A C 2.518 180.149 177.584 0.080 0.000 1.188 755 A CA 0.119 52.192 52.037 0.061 0.000 0.675 755 A CB -0.355 18.672 19.000 0.045 0.000 0.845 755 A HN 0.197 nan 8.150 nan 0.000 0.455 756 I N 0.514 121.153 120.570 0.115 0.000 2.151 756 I HA -0.294 3.905 4.170 0.049 0.000 0.243 756 I C 2.521 178.758 176.117 0.200 0.000 1.080 756 I CA 1.334 62.718 61.300 0.139 0.000 1.339 756 I CB -0.459 37.587 38.000 0.076 0.000 1.039 756 I HN 0.329 nan 8.210 nan 0.000 0.409 757 A N 0.075 123.052 122.820 0.261 0.000 2.207 757 A HA -0.153 4.196 4.320 0.049 0.000 0.205 757 A C 2.026 179.594 177.584 -0.027 0.000 1.310 757 A CA 0.912 52.959 52.037 0.017 0.000 0.926 757 A CB -0.797 18.023 19.000 -0.300 0.000 0.778 757 A HN 0.503 nan 8.150 nan 0.000 0.497 758 E N -0.391 119.820 120.200 0.018 0.000 2.075 758 E HA -0.070 4.310 4.350 0.049 0.000 0.190 758 E C 0.922 177.518 176.600 -0.007 0.000 0.969 758 E CA 0.597 56.997 56.400 -0.000 0.000 0.815 758 E CB 0.115 29.823 29.700 0.014 0.000 0.776 758 E HN 0.506 nan 8.360 nan 0.000 0.457 759 E N -0.166 120.037 120.200 0.005 0.000 2.437 759 E HA 0.197 4.576 4.350 0.049 0.000 0.189 759 E C -0.518 176.068 176.600 -0.023 0.000 1.054 759 E CA -0.019 56.379 56.400 -0.003 0.000 0.874 759 E CB 1.205 30.912 29.700 0.012 0.000 1.011 759 E HN 0.105 nan 8.360 nan 0.000 0.474 760 A N 0.702 123.503 122.820 -0.032 0.000 2.449 760 A HA 0.439 4.788 4.320 0.049 0.000 0.302 760 A C 0.629 178.160 177.584 -0.088 0.000 1.048 760 A CA -0.618 51.377 52.037 -0.071 0.000 0.708 760 A CB 1.398 20.370 19.000 -0.047 0.000 1.274 760 A HN -0.090 nan 8.150 nan 0.000 0.410 761 E N 0.751 120.923 120.200 -0.047 0.000 2.140 761 E HA 0.082 4.461 4.350 0.049 0.000 0.191 761 E C -0.418 176.241 176.600 0.097 0.000 0.973 761 E CA 0.998 57.437 56.400 0.065 0.000 0.829 761 E CB 0.073 29.950 29.700 0.294 0.000 0.781 761 E HN 0.695 nan 8.360 nan 0.000 0.466 762 F N -0.606 119.344 119.950 -0.000 0.000 2.536 762 F HA 0.522 5.079 4.527 0.049 0.000 0.322 762 F C -0.810 175.094 175.800 0.173 0.000 1.144 762 F CA -1.594 56.425 58.000 0.032 0.000 0.924 762 F CB 0.845 39.878 39.000 0.056 0.000 1.181 762 F HN -0.353 nan 8.300 nan 0.000 0.438 763 F N 2.671 122.636 119.950 0.026 0.000 2.438 763 F HA 0.368 4.928 4.527 0.054 0.000 0.360 763 F C 0.558 176.242 175.800 -0.193 0.000 1.118 763 F CA -0.718 57.153 58.000 -0.216 0.000 1.164 763 F CB 1.102 39.896 39.000 -0.343 0.000 1.131 763 F HN 0.636 nan 8.300 nan 0.000 0.527 764 S N 5.611 121.307 115.700 -0.006 0.000 2.498 764 S HA 0.484 4.984 4.470 0.049 0.000 0.324 764 S C -0.606 173.931 174.600 -0.105 0.000 1.071 764 S CA -0.472 57.761 58.200 0.055 0.000 1.113 764 S CB -0.191 63.182 63.200 0.289 0.000 0.976 764 S HN 0.246 nan 8.310 nan 0.000 0.462 765 F N 3.425 123.378 119.950 0.006 0.000 2.502 765 F HA 0.363 4.917 4.527 0.046 0.000 0.371 765 F C 1.377 177.161 175.800 -0.027 0.000 1.083 765 F CA -0.161 57.818 58.000 -0.035 0.000 1.174 765 F CB 0.612 39.581 39.000 -0.053 0.000 1.096 765 F HN 0.629 nan 8.300 nan 0.000 0.545 766 G N 1.914 110.800 108.800 0.145 0.000 2.404 766 G HA2 0.392 4.381 3.960 0.049 0.000 0.316 766 G HA3 0.392 4.381 3.960 0.049 0.000 0.316 766 G C 0.663 175.599 174.900 0.059 0.000 1.074 766 G CA -0.276 44.868 45.100 0.073 0.000 0.989 766 G HN 0.714 nan 8.290 nan 0.000 0.430 767 T N 0.113 114.655 114.554 -0.020 0.000 3.039 767 T HA -0.030 4.349 4.350 0.049 0.000 0.250 767 T C 1.887 176.498 174.700 -0.148 0.000 1.052 767 T CA 0.293 62.333 62.100 -0.099 0.000 1.125 767 T CB 0.055 68.796 68.868 -0.213 0.000 0.908 767 T HN 0.270 nan 8.240 nan 0.000 0.473 768 N N 2.108 120.701 118.700 -0.178 0.000 2.106 768 N HA -0.054 4.715 4.740 0.049 0.000 0.188 768 N C 1.543 177.053 175.510 -0.000 0.000 1.029 768 N CA 1.455 54.467 53.050 -0.063 0.000 0.848 768 N CB -0.346 38.101 38.487 -0.067 0.000 1.007 768 N HN 0.419 nan 8.380 nan 0.000 0.423 769 D N -0.120 120.275 120.400 -0.009 0.000 2.178 769 D HA -0.106 4.563 4.640 0.049 0.000 0.202 769 D C 1.839 178.163 176.300 0.039 0.000 0.974 769 D CA 0.435 54.442 54.000 0.011 0.000 0.841 769 D CB -0.091 40.715 40.800 0.010 0.000 0.953 769 D HN 0.160 nan 8.370 nan 0.000 0.478 770 L N 0.747 121.999 121.223 0.050 0.000 2.095 770 L HA -0.049 4.320 4.340 0.049 0.000 0.204 770 L C 2.380 179.310 176.870 0.100 0.000 1.080 770 L CA 1.527 56.411 54.840 0.074 0.000 0.759 770 L CB -0.945 41.169 42.059 0.091 0.000 0.914 770 L HN -0.087 nan 8.230 nan 0.000 0.439 771 T N -0.619 113.997 114.554 0.103 0.000 2.595 771 T HA -0.269 4.111 4.350 0.049 0.000 0.264 771 T C 1.709 176.483 174.700 0.123 0.000 1.058 771 T CA 1.955 64.120 62.100 0.109 0.000 1.166 771 T CB -0.120 68.796 68.868 0.080 0.000 0.863 771 T HN 0.501 nan 8.240 nan 0.000 0.415 772 Q N -0.302 119.579 119.800 0.135 0.000 2.389 772 Q HA -0.145 4.225 4.340 0.049 0.000 0.213 772 Q C 1.940 178.005 176.000 0.108 0.000 0.989 772 Q CA 1.214 57.108 55.803 0.152 0.000 0.891 772 Q CB -0.211 28.586 28.738 0.097 0.000 0.923 772 Q HN 0.431 nan 8.270 nan 0.000 0.455 773 M N -0.935 118.721 119.600 0.093 0.000 2.384 773 M HA -0.013 4.497 4.480 0.049 0.000 0.258 773 M C 2.001 178.342 176.300 0.068 0.000 1.130 773 M CA 1.377 56.719 55.300 0.069 0.000 1.187 773 M CB -0.085 32.550 32.600 0.057 0.000 1.307 773 M HN -0.077 nan 8.290 nan 0.000 0.468 774 T N 0.011 114.628 114.554 0.106 0.000 2.946 774 T HA -0.084 4.295 4.350 0.049 0.000 0.271 774 T C 1.244 176.015 174.700 0.118 0.000 1.104 774 T CA 1.104 63.272 62.100 0.114 0.000 1.114 774 T CB -0.278 68.690 68.868 0.167 0.000 0.867 774 T HN 0.069 nan 8.240 nan 0.000 0.513 775 F N 0.269 120.098 119.950 -0.201 0.000 2.289 775 F HA 0.442 4.994 4.527 0.042 0.000 0.280 775 F C 2.296 177.804 175.800 -0.486 0.000 1.045 775 F CA 0.688 58.411 58.000 -0.462 0.000 1.236 775 F CB -0.314 38.142 39.000 -0.906 0.000 1.116 775 F HN 0.256 nan 8.300 nan 0.000 0.550 776 G N -1.113 107.564 108.800 -0.205 0.000 2.613 776 G HA2 -0.081 3.909 3.960 0.049 0.000 0.199 776 G HA3 -0.081 3.909 3.960 0.049 0.000 0.199 776 G C -0.148 174.773 174.900 0.035 0.000 0.991 776 G CA -0.064 44.976 45.100 -0.100 0.000 0.756 776 G HN 0.218 nan 8.290 nan 0.000 0.515 777 F N 1.446 121.538 119.950 0.238 0.000 2.631 777 F HA 0.910 5.455 4.527 0.030 0.000 0.328 777 F C 0.088 175.979 175.800 0.151 0.000 1.067 777 F CA -2.294 55.840 58.000 0.223 0.000 0.969 777 F CB 1.012 40.218 39.000 0.342 0.000 1.332 777 F HN 0.339 nan 8.300 nan 0.000 0.490 778 S N 0.739 116.675 115.700 0.394 0.000 2.475 778 S HA 0.400 4.899 4.470 0.049 0.000 0.298 778 S C 0.857 175.401 174.600 -0.094 0.000 1.119 778 S CA -0.818 57.455 58.200 0.122 0.000 1.085 778 S CB 1.916 65.142 63.200 0.044 0.000 1.028 778 S HN 0.783 nan 8.310 nan 0.000 0.489 779 R N 1.168 121.341 120.500 -0.544 0.000 2.226 779 R HA -0.149 4.221 4.340 0.049 0.000 0.246 779 R C 0.574 176.584 176.300 -0.484 0.000 1.161 779 R CA 1.558 56.967 56.100 -1.151 0.000 0.997 779 R CB -0.861 28.718 30.300 -1.201 0.000 0.870 779 R HN 0.792 nan 8.270 nan 0.000 0.465 780 D N -0.128 120.109 120.400 -0.272 0.000 2.165 780 D HA -0.080 4.589 4.640 0.049 0.000 0.213 780 D C 1.366 177.603 176.300 -0.106 0.000 0.983 780 D CA 0.858 54.761 54.000 -0.162 0.000 0.881 780 D CB -0.194 40.539 40.800 -0.112 0.000 1.028 780 D HN 0.173 nan 8.370 nan 0.000 0.457 781 D N 1.498 121.868 120.400 -0.049 0.000 2.120 781 D HA -0.175 4.495 4.640 0.049 0.000 0.191 781 D C 1.981 178.260 176.300 -0.035 0.000 0.994 781 D CA 1.460 55.471 54.000 0.019 0.000 0.838 781 D CB -0.497 40.363 40.800 0.101 0.000 0.976 781 D HN 0.104 nan 8.370 nan 0.000 0.447 782 A N 1.239 123.988 122.820 -0.118 0.000 2.144 782 A HA -0.247 4.103 4.320 0.049 0.000 0.225 782 A C 2.311 179.474 177.584 -0.703 0.000 1.181 782 A CA 2.520 54.167 52.037 -0.649 0.000 0.680 782 A CB -1.434 17.057 19.000 -0.849 0.000 0.819 782 A HN 0.384 nan 8.150 nan 0.000 0.485 783 G N 0.352 108.966 108.800 -0.310 0.000 2.476 783 G HA2 -0.327 3.662 3.960 0.049 0.000 0.218 783 G HA3 -0.327 3.662 3.960 0.049 0.000 0.218 783 G C 1.399 176.193 174.900 -0.176 0.000 1.164 783 G CA 1.163 46.143 45.100 -0.199 0.000 0.768 783 G HN 0.817 nan 8.290 nan 0.000 0.560 784 K N 0.257 120.602 120.400 -0.092 0.000 2.687 784 K HA 0.063 4.413 4.320 0.049 0.000 0.197 784 K C 0.831 177.519 176.600 0.148 0.000 1.018 784 K CA 0.972 57.284 56.287 0.042 0.000 1.035 784 K CB -0.428 32.134 32.500 0.104 0.000 0.834 784 K HN 0.621 nan 8.250 nan 0.000 0.496 785 F N -3.990 115.984 119.950 0.040 0.000 3.196 785 F HA 0.171 4.718 4.527 0.033 0.000 0.379 785 F C 0.641 176.507 175.800 0.109 0.000 1.175 785 F CA -0.835 57.219 58.000 0.091 0.000 0.940 785 F CB -0.448 38.642 39.000 0.150 0.000 1.548 785 F HN -0.106 nan 8.300 nan 0.000 0.508 786 L N 1.842 122.758 121.223 -0.512 0.000 2.017 786 L HA -0.024 4.345 4.340 0.049 0.000 0.208 786 L C 2.153 178.875 176.870 -0.246 0.000 1.073 786 L CA 2.385 56.946 54.840 -0.465 0.000 0.745 786 L CB -0.845 40.967 42.059 -0.412 0.000 0.894 786 L HN 0.240 nan 8.230 nan 0.000 0.432 787 D N -1.028 119.389 120.400 0.028 0.000 2.158 787 D HA -0.178 4.492 4.640 0.049 0.000 0.197 787 D C 2.154 178.528 176.300 0.124 0.000 0.995 787 D CA 1.412 55.531 54.000 0.198 0.000 0.846 787 D CB 0.088 40.985 40.800 0.161 0.000 0.941 787 D HN 0.430 nan 8.370 nan 0.000 0.456 788 S N -0.666 115.085 115.700 0.086 0.000 2.351 788 S HA -0.199 4.300 4.470 0.049 0.000 0.220 788 S C 1.904 176.469 174.600 -0.059 0.000 1.035 788 S CA 0.921 59.139 58.200 0.031 0.000 1.031 788 S CB -0.683 62.547 63.200 0.049 0.000 0.928 788 S HN 0.376 nan 8.310 nan 0.000 0.433 789 Y N 0.563 120.785 120.300 -0.130 0.000 2.283 789 Y HA -0.213 4.370 4.550 0.055 0.000 0.285 789 Y C 2.123 177.901 175.900 -0.204 0.000 1.176 789 Y CA 1.105 59.072 58.100 -0.220 0.000 1.229 789 Y CB -0.644 37.713 38.460 -0.171 0.000 0.975 789 Y HN 0.295 nan 8.280 nan 0.000 0.537 790 Y N -0.624 119.760 120.300 0.140 0.000 2.138 790 Y HA -0.141 4.439 4.550 0.050 0.000 0.286 790 Y C 2.305 178.194 175.900 -0.018 0.000 1.115 790 Y CA 0.508 58.633 58.100 0.041 0.000 1.105 790 Y CB -0.927 37.541 38.460 0.013 0.000 1.004 790 Y HN -0.182 nan 8.280 nan 0.000 0.494 791 K N 0.604 121.077 120.400 0.122 0.000 2.015 791 K HA -0.184 4.165 4.320 0.049 0.000 0.216 791 K C 2.126 178.721 176.600 -0.009 0.000 1.052 791 K CA 1.666 57.976 56.287 0.038 0.000 0.937 791 K CB -1.186 31.326 32.500 0.020 0.000 0.719 791 K HN 0.309 nan 8.250 nan 0.000 0.446 792 A N 0.901 123.687 122.820 -0.056 0.000 2.239 792 A HA -0.058 4.291 4.320 0.049 0.000 0.209 792 A C 0.103 177.631 177.584 -0.094 0.000 1.171 792 A CA 0.725 52.700 52.037 -0.104 0.000 0.768 792 A CB -0.528 18.349 19.000 -0.205 0.000 0.790 792 A HN 0.443 nan 8.150 nan 0.000 0.478 793 K N -1.424 118.949 120.400 -0.044 0.000 3.077 793 K HA -0.215 4.134 4.320 0.049 0.000 0.264 793 K C 0.413 176.987 176.600 -0.044 0.000 1.008 793 K CA 1.044 57.316 56.287 -0.025 0.000 0.740 793 K CB -2.101 30.365 32.500 -0.057 0.000 1.273 793 K HN 0.617 nan 8.250 nan 0.000 0.477 794 I N -0.820 119.704 120.570 -0.076 0.000 2.429 794 I HA -0.073 4.126 4.170 0.049 0.000 0.247 794 I C 0.506 176.550 176.117 -0.122 0.000 1.099 794 I CA 0.712 61.918 61.300 -0.157 0.000 1.422 794 I CB 0.129 37.942 38.000 -0.311 0.000 1.112 794 I HN 0.107 nan 8.210 nan 0.000 0.430 795 Y N 0.414 120.829 120.300 0.192 0.000 2.377 795 Y HA 0.289 4.868 4.550 0.049 0.000 0.339 795 Y C 0.893 176.948 175.900 0.258 0.000 1.011 795 Y CA -1.041 57.171 58.100 0.187 0.000 1.093 795 Y CB 1.378 39.909 38.460 0.119 0.000 1.201 795 Y HN -0.091 nan 8.280 nan 0.000 0.455 796 E N 0.937 121.339 120.200 0.337 0.000 2.094 796 E HA 0.097 4.476 4.350 0.049 0.000 0.193 796 E C 0.041 176.700 176.600 0.097 0.000 0.950 796 E CA 0.395 56.892 56.400 0.162 0.000 0.842 796 E CB 0.344 30.046 29.700 0.004 0.000 0.816 796 E HN 0.557 nan 8.360 nan 0.000 0.465 797 S N 0.820 116.562 115.700 0.069 0.000 2.669 797 S HA 0.073 4.573 4.470 0.049 0.000 0.270 797 S C -0.342 174.233 174.600 -0.042 0.000 1.225 797 S CA -0.684 57.476 58.200 -0.067 0.000 0.991 797 S CB 0.923 64.062 63.200 -0.101 0.000 0.987 797 S HN 0.178 nan 8.310 nan 0.000 0.552 798 D N 1.371 121.657 120.400 -0.190 0.000 2.348 798 D HA 0.149 4.818 4.640 0.049 0.000 0.253 798 D C -1.673 174.385 176.300 -0.402 0.000 1.161 798 D CA -1.829 52.046 54.000 -0.209 0.000 0.876 798 D CB 1.279 41.961 40.800 -0.198 0.000 1.160 798 D HN 0.071 nan 8.370 nan 0.000 0.459 799 P HA -0.040 nan 4.420 nan 0.000 0.226 799 P C 0.658 177.529 177.300 -0.715 0.000 1.153 799 P CA 0.726 63.287 63.100 -0.899 0.000 0.777 799 P CB -0.022 30.831 31.700 -1.412 0.000 0.794 800 F N -1.275 118.577 119.950 -0.162 0.000 2.721 800 F HA 0.436 4.997 4.527 0.056 0.000 0.301 800 F C 2.139 178.031 175.800 0.153 0.000 1.096 800 F CA -0.043 58.003 58.000 0.077 0.000 1.308 800 F CB -1.006 37.991 39.000 -0.005 0.000 1.086 800 F HN -0.069 nan 8.300 nan 0.000 0.587 801 A N -0.383 122.391 122.820 -0.076 0.000 1.988 801 A HA 0.275 4.624 4.320 0.049 0.000 0.201 801 A C 1.103 178.456 177.584 -0.385 0.000 1.410 801 A CA -0.068 51.917 52.037 -0.086 0.000 0.832 801 A CB 0.165 19.119 19.000 -0.076 0.000 0.981 801 A HN 0.079 nan 8.150 nan 0.000 0.492 802 R N 0.412 120.611 120.500 -0.501 0.000 2.294 802 R HA 0.418 4.787 4.340 0.049 0.000 0.319 802 R C -1.186 174.775 176.300 -0.565 0.000 0.984 802 R CA -0.794 55.051 56.100 -0.425 0.000 0.861 802 R CB 1.160 31.314 30.300 -0.243 0.000 1.104 802 R HN 0.333 nan 8.270 nan 0.000 0.451 803 L N 4.886 125.889 121.223 -0.365 0.000 2.774 803 L HA -0.032 4.337 4.340 0.049 0.000 0.279 803 L C -0.284 176.576 176.870 -0.016 0.000 1.137 803 L CA 0.438 55.228 54.840 -0.084 0.000 1.021 803 L CB -0.233 41.924 42.059 0.164 0.000 1.366 803 L HN 0.494 nan 8.230 nan 0.000 0.471 804 D N 3.511 123.931 120.400 0.034 0.000 2.380 804 D HA -0.076 4.594 4.640 0.049 0.000 0.270 804 D C 1.103 177.474 176.300 0.118 0.000 1.363 804 D CA 0.418 54.496 54.000 0.130 0.000 1.057 804 D CB 0.629 41.663 40.800 0.390 0.000 1.096 804 D HN 0.747 nan 8.370 nan 0.000 0.524 805 Q N 1.228 121.023 119.800 -0.008 0.000 2.472 805 Q HA -0.041 4.328 4.340 0.049 0.000 0.208 805 Q C 0.837 176.829 176.000 -0.013 0.000 0.958 805 Q CA 0.615 56.373 55.803 -0.074 0.000 0.932 805 Q CB 0.050 28.369 28.738 -0.699 0.000 1.007 805 Q HN 0.330 nan 8.270 nan 0.000 0.508 806 T N -0.062 114.497 114.554 0.009 0.000 2.983 806 T HA 0.091 4.471 4.350 0.049 0.000 0.250 806 T C 1.568 176.294 174.700 0.042 0.000 1.037 806 T CA 0.768 62.880 62.100 0.020 0.000 1.142 806 T CB 0.030 68.903 68.868 0.008 0.000 0.876 806 T HN 0.517 nan 8.240 nan 0.000 0.455 807 G N 1.061 109.896 108.800 0.058 0.000 2.682 807 G HA2 0.051 4.040 3.960 0.049 0.000 0.221 807 G HA3 0.051 4.040 3.960 0.049 0.000 0.221 807 G C 1.533 176.498 174.900 0.108 0.000 1.386 807 G CA 0.292 45.422 45.100 0.049 0.000 0.909 807 G HN 0.263 nan 8.290 nan 0.000 0.558 808 V N 2.044 122.069 119.914 0.185 0.000 2.392 808 V HA -0.097 4.053 4.120 0.049 0.000 0.249 808 V C 3.093 179.269 176.094 0.136 0.000 1.059 808 V CA 2.047 64.450 62.300 0.172 0.000 1.051 808 V CB -0.987 30.959 31.823 0.205 0.000 0.658 808 V HN 0.487 nan 8.190 nan 0.000 0.455 809 G N -1.539 107.377 108.800 0.192 0.000 2.527 809 G HA2 -0.254 3.735 3.960 0.049 0.000 0.219 809 G HA3 -0.254 3.735 3.960 0.049 0.000 0.219 809 G C 1.455 176.451 174.900 0.159 0.000 1.117 809 G CA 0.675 45.943 45.100 0.280 0.000 0.759 809 G HN 0.563 nan 8.290 nan 0.000 0.556 810 Q N -0.644 119.229 119.800 0.121 0.000 2.061 810 Q HA 0.209 4.578 4.340 0.049 0.000 0.195 810 Q C 2.599 178.635 176.000 0.060 0.000 0.967 810 Q CA 0.241 56.095 55.803 0.085 0.000 0.829 810 Q CB -0.183 28.600 28.738 0.075 0.000 0.900 810 Q HN 0.385 nan 8.270 nan 0.000 0.450 811 L N 0.394 121.656 121.223 0.066 0.000 2.189 811 L HA -0.195 4.175 4.340 0.049 0.000 0.214 811 L C 2.129 179.060 176.870 0.101 0.000 1.097 811 L CA 0.877 55.763 54.840 0.076 0.000 0.764 811 L CB -0.329 41.780 42.059 0.083 0.000 0.900 811 L HN 0.138 nan 8.230 nan 0.000 0.436 812 V N -0.976 118.942 119.914 0.006 0.000 3.052 812 V HA -0.134 4.015 4.120 0.049 0.000 0.254 812 V C 2.152 178.174 176.094 -0.121 0.000 1.100 812 V CA 1.101 63.278 62.300 -0.205 0.000 1.112 812 V CB 0.170 31.580 31.823 -0.688 0.000 0.738 812 V HN 0.404 nan 8.190 nan 0.000 0.469 813 E N -0.847 119.323 120.200 -0.050 0.000 2.415 813 E HA 0.068 4.447 4.350 0.049 0.000 0.197 813 E C 2.144 178.781 176.600 0.062 0.000 1.007 813 E CA 0.129 56.514 56.400 -0.026 0.000 0.890 813 E CB 0.203 29.868 29.700 -0.058 0.000 0.891 813 E HN 0.497 nan 8.360 nan 0.000 0.496 814 M N -0.145 119.507 119.600 0.088 0.000 2.236 814 M HA 0.005 4.515 4.480 0.049 0.000 0.266 814 M C 2.355 178.742 176.300 0.144 0.000 1.070 814 M CA 1.001 56.359 55.300 0.096 0.000 1.137 814 M CB 0.060 32.709 32.600 0.082 0.000 1.378 814 M HN 0.120 nan 8.290 nan 0.000 0.426 815 A N 0.171 123.111 122.820 0.201 0.000 1.855 815 A HA -0.100 4.249 4.320 0.049 0.000 0.215 815 A C 2.188 180.049 177.584 0.461 0.000 1.191 815 A CA 1.576 53.783 52.037 0.285 0.000 0.613 815 A CB -1.019 18.096 19.000 0.193 0.000 0.829 815 A HN 0.261 nan 8.150 nan 0.000 0.442 816 V N 1.319 121.508 119.914 0.458 0.000 2.255 816 V HA -0.272 3.877 4.120 0.049 0.000 0.247 816 V C 2.424 178.628 176.094 0.183 0.000 1.051 816 V CA 2.546 65.063 62.300 0.363 0.000 1.018 816 V CB -0.819 31.160 31.823 0.260 0.000 0.641 816 V HN 0.839 nan 8.190 nan 0.000 0.445 817 K N 0.387 120.867 120.400 0.133 0.000 2.487 817 K HA 0.024 4.373 4.320 0.049 0.000 0.192 817 K C 1.425 178.071 176.600 0.077 0.000 1.027 817 K CA 1.046 57.380 56.287 0.079 0.000 1.054 817 K CB -0.170 32.359 32.500 0.048 0.000 0.824 817 K HN 0.372 nan 8.250 nan 0.000 0.510 818 K N -0.484 119.984 120.400 0.115 0.000 2.367 818 K HA 0.190 4.539 4.320 0.049 0.000 0.198 818 K C 1.984 178.637 176.600 0.089 0.000 1.132 818 K CA 0.538 56.884 56.287 0.099 0.000 0.941 818 K CB 0.152 32.717 32.500 0.109 0.000 1.052 818 K HN 0.237 nan 8.250 nan 0.000 0.507 819 G N 1.282 110.167 108.800 0.142 0.000 2.509 819 G HA2 -0.192 3.797 3.960 0.049 0.000 0.218 819 G HA3 -0.192 3.797 3.960 0.049 0.000 0.218 819 G C 1.262 176.070 174.900 -0.154 0.000 1.124 819 G CA 0.250 45.332 45.100 -0.030 0.000 0.776 819 G HN 0.118 nan 8.290 nan 0.000 0.547 820 R N -0.450 120.010 120.500 -0.066 0.000 2.356 820 R HA 0.209 4.579 4.340 0.049 0.000 0.234 820 R C 1.895 178.178 176.300 -0.029 0.000 0.929 820 R CA -0.004 56.058 56.100 -0.063 0.000 1.084 820 R CB 0.209 30.488 30.300 -0.035 0.000 1.105 820 R HN 0.375 nan 8.270 nan 0.000 0.515 821 Q N -0.502 119.289 119.800 -0.015 0.000 2.304 821 Q HA -0.018 4.351 4.340 0.049 0.000 0.204 821 Q C 1.508 177.500 176.000 -0.012 0.000 0.936 821 Q CA 1.306 57.108 55.803 -0.002 0.000 0.878 821 Q CB 0.730 29.477 28.738 0.016 0.000 0.983 821 Q HN 0.281 nan 8.270 nan 0.000 0.516 822 T N -1.816 112.725 114.554 -0.022 0.000 3.009 822 T HA 0.172 4.551 4.350 0.049 0.000 0.258 822 T C 1.048 175.717 174.700 -0.052 0.000 1.063 822 T CA 0.132 62.216 62.100 -0.028 0.000 1.139 822 T CB 0.251 69.107 68.868 -0.021 0.000 0.890 822 T HN -0.072 nan 8.240 nan 0.000 0.471 823 R N 1.330 121.779 120.500 -0.085 0.000 2.639 823 R HA 0.277 4.646 4.340 0.049 0.000 0.273 823 R C -2.403 173.839 176.300 -0.096 0.000 1.732 823 R CA -1.928 54.112 56.100 -0.100 0.000 1.586 823 R CB 1.290 31.500 30.300 -0.150 0.000 1.263 823 R HN 0.101 nan 8.270 nan 0.000 0.615 824 P HA -0.166 nan 4.420 nan 0.000 0.214 824 P C 0.846 178.119 177.300 -0.045 0.000 1.169 824 P CA 1.299 64.372 63.100 -0.044 0.000 0.908 824 P CB 0.056 31.740 31.700 -0.027 0.000 0.791 825 G N 0.298 109.077 108.800 -0.036 0.000 3.090 825 G HA2 0.209 4.199 3.960 0.049 0.000 0.259 825 G HA3 0.209 4.199 3.960 0.049 0.000 0.259 825 G C -0.394 174.484 174.900 -0.037 0.000 0.797 825 G CA -0.180 44.905 45.100 -0.025 0.000 2.032 825 G HN 0.229 nan 8.290 nan 0.000 0.614 826 L N 1.481 122.664 121.223 -0.066 0.000 2.294 826 L HA 0.459 4.828 4.340 0.049 0.000 0.283 826 L C -0.171 176.667 176.870 -0.054 0.000 1.015 826 L CA -1.019 53.754 54.840 -0.111 0.000 0.831 826 L CB 0.991 42.900 42.059 -0.249 0.000 1.217 826 L HN 0.065 nan 8.230 nan 0.000 0.420 827 K N 4.032 124.435 120.400 0.005 0.000 2.144 827 K HA 0.440 4.790 4.320 0.049 0.000 0.270 827 K C -1.009 175.656 176.600 0.108 0.000 1.005 827 K CA -0.511 55.812 56.287 0.059 0.000 0.932 827 K CB 1.792 34.336 32.500 0.074 0.000 1.021 827 K HN 0.517 nan 8.250 nan 0.000 0.462 828 C N 0.766 120.125 119.300 0.098 0.000 2.547 828 C HA 0.721 5.210 4.460 0.049 0.000 0.313 828 C C 0.256 175.173 174.990 -0.121 0.000 1.191 828 C CA -0.588 58.495 59.018 0.107 0.000 1.474 828 C CB 1.490 29.360 27.740 0.217 0.000 2.081 828 C HN 0.959 nan 8.230 nan 0.000 0.476 829 G N 1.681 110.243 108.800 -0.397 0.000 2.659 829 G HA2 0.691 4.680 3.960 0.049 0.000 0.296 829 G HA3 0.691 4.680 3.960 0.049 0.000 0.296 829 G C -1.689 172.894 174.900 -0.529 0.000 1.369 829 G CA -0.391 43.929 45.100 -1.300 0.000 0.937 829 G HN 0.841 nan 8.290 nan 0.000 0.485 830 I N 1.409 121.770 120.570 -0.350 0.000 2.336 830 I HA 0.361 4.561 4.170 0.049 0.000 0.292 830 I C 1.229 177.361 176.117 0.024 0.000 0.991 830 I CA -0.998 60.280 61.300 -0.037 0.000 1.227 830 I CB 1.226 39.212 38.000 -0.024 0.000 1.366 830 I HN 0.654 nan 8.210 nan 0.000 0.466 831 C N 4.676 124.023 119.300 0.079 0.000 2.964 831 C HA 0.482 4.971 4.460 0.049 0.000 0.358 831 C C 1.435 176.449 174.990 0.040 0.000 1.289 831 C CA 0.221 59.296 59.018 0.095 0.000 1.856 831 C CB -1.254 26.570 27.740 0.140 0.000 2.488 831 C HN 0.748 nan 8.230 nan 0.000 0.604 832 G N 0.631 109.424 108.800 -0.011 0.000 2.818 832 G HA2 0.115 4.105 3.960 0.049 0.000 0.235 832 G HA3 0.115 4.105 3.960 0.049 0.000 0.235 832 G C 0.738 175.577 174.900 -0.102 0.000 1.244 832 G CA 0.602 45.633 45.100 -0.115 0.000 0.853 832 G HN 0.693 nan 8.290 nan 0.000 0.596 833 E N -0.458 119.670 120.200 -0.119 0.000 2.130 833 E HA -0.219 4.160 4.350 0.049 0.000 0.196 833 E C 1.828 178.495 176.600 0.110 0.000 0.998 833 E CA 1.498 57.911 56.400 0.023 0.000 0.806 833 E CB -0.149 29.608 29.700 0.094 0.000 0.738 833 E HN 0.809 nan 8.360 nan 0.000 0.459 834 H N -1.320 117.779 119.070 0.049 0.000 2.567 834 H HA 0.052 4.636 4.556 0.047 0.000 0.276 834 H C 1.868 177.225 175.328 0.049 0.000 1.016 834 H CA -0.160 55.914 56.048 0.043 0.000 1.186 834 H CB -0.125 29.658 29.762 0.036 0.000 1.351 834 H HN 0.249 nan 8.280 nan 0.000 0.605 835 G N 1.181 110.038 108.800 0.095 0.000 2.476 835 G HA2 -0.216 3.773 3.960 0.049 0.000 0.218 835 G HA3 -0.216 3.773 3.960 0.049 0.000 0.218 835 G C 1.187 176.145 174.900 0.097 0.000 1.164 835 G CA 0.718 45.865 45.100 0.080 0.000 0.768 835 G HN 0.483 nan 8.290 nan 0.000 0.560 836 G N 0.050 108.911 108.800 0.101 0.000 3.005 836 G HA2 0.479 4.469 3.960 0.049 0.000 0.342 836 G HA3 0.479 4.469 3.960 0.049 0.000 0.342 836 G C -1.460 173.498 174.900 0.097 0.000 1.101 836 G CA -0.295 44.863 45.100 0.098 0.000 1.225 836 G HN 0.143 nan 8.290 nan 0.000 0.462 837 D N 2.968 123.426 120.400 0.097 0.000 2.602 837 D HA 0.231 4.900 4.640 0.049 0.000 0.245 837 D C -1.913 174.429 176.300 0.070 0.000 1.325 837 D CA -1.435 52.613 54.000 0.080 0.000 0.952 837 D CB 3.285 44.140 40.800 0.091 0.000 1.317 837 D HN 0.000 nan 8.370 nan 0.000 0.577 838 P HA -0.165 nan 4.420 nan 0.000 0.219 838 P C 0.991 178.322 177.300 0.050 0.000 1.147 838 P CA 1.149 64.277 63.100 0.047 0.000 0.821 838 P CB 0.556 32.275 31.700 0.032 0.000 0.771 839 S N -1.681 114.047 115.700 0.048 0.000 2.370 839 S HA -0.012 4.488 4.470 0.049 0.000 0.214 839 S C 2.005 176.672 174.600 0.112 0.000 1.033 839 S CA 0.758 58.989 58.200 0.052 0.000 0.941 839 S CB -0.817 62.386 63.200 0.006 0.000 0.886 839 S HN 0.104 nan 8.310 nan 0.000 0.521 840 S N 1.942 117.712 115.700 0.117 0.000 2.434 840 S HA -0.170 4.329 4.470 0.049 0.000 0.240 840 S C 1.884 176.584 174.600 0.167 0.000 1.052 840 S CA 1.877 60.179 58.200 0.170 0.000 1.198 840 S CB -0.866 62.428 63.200 0.157 0.000 1.124 840 S HN 0.372 nan 8.310 nan 0.000 0.426 841 V N 1.752 121.745 119.914 0.131 0.000 3.244 841 V HA -0.145 4.004 4.120 0.049 0.000 0.273 841 V C 1.911 178.103 176.094 0.162 0.000 1.180 841 V CA 1.765 64.143 62.300 0.130 0.000 1.182 841 V CB -1.040 30.852 31.823 0.115 0.000 0.796 841 V HN 0.480 nan 8.190 nan 0.000 0.543 842 E N -1.079 119.223 120.200 0.171 0.000 2.354 842 E HA 0.012 4.391 4.350 0.049 0.000 0.203 842 E C 1.871 178.631 176.600 0.266 0.000 0.841 842 E CA -0.003 56.503 56.400 0.177 0.000 1.046 842 E CB 0.076 29.843 29.700 0.113 0.000 1.040 842 E HN 0.413 nan 8.360 nan 0.000 0.504 843 F N 1.801 121.785 119.950 0.058 0.000 2.113 843 F HA -0.166 4.389 4.527 0.047 0.000 0.297 843 F C 2.178 177.998 175.800 0.034 0.000 1.103 843 F CA 1.043 59.067 58.000 0.039 0.000 1.248 843 F CB -0.684 38.326 39.000 0.016 0.000 0.999 843 F HN 0.177 nan 8.300 nan 0.000 0.475 844 C N -0.663 118.649 119.300 0.021 0.000 2.413 844 C HA -0.216 4.273 4.460 0.049 0.000 0.277 844 C C 2.676 177.629 174.990 -0.062 0.000 1.265 844 C CA 1.472 60.429 59.018 -0.101 0.000 1.752 844 C CB -1.900 25.812 27.740 -0.047 0.000 1.998 844 C HN 0.615 nan 8.230 nan 0.000 0.489 845 H N 2.037 121.095 119.070 -0.019 0.000 2.253 845 H HA -0.134 4.452 4.556 0.049 0.000 0.299 845 H C 2.276 177.593 175.328 -0.018 0.000 1.064 845 H CA 2.204 58.253 56.048 0.001 0.000 1.264 845 H CB -0.081 29.704 29.762 0.038 0.000 1.371 845 H HN 0.502 nan 8.280 nan 0.000 0.493 846 K N 0.019 120.568 120.400 0.249 0.000 2.360 846 K HA -0.061 4.288 4.320 0.049 0.000 0.201 846 K C 2.004 178.586 176.600 -0.030 0.000 1.046 846 K CA 1.251 57.626 56.287 0.146 0.000 0.945 846 K CB -0.172 32.432 32.500 0.173 0.000 0.750 846 K HN 0.183 nan 8.250 nan 0.000 0.464 847 V N 0.935 120.729 119.914 -0.200 0.000 2.667 847 V HA -0.059 4.091 4.120 0.049 0.000 0.252 847 V C 1.690 177.674 176.094 -0.183 0.000 1.065 847 V CA 1.885 63.974 62.300 -0.352 0.000 1.083 847 V CB -0.130 31.324 31.823 -0.614 0.000 0.692 847 V HN 0.800 nan 8.190 nan 0.000 0.468 848 G N -1.290 107.432 108.800 -0.130 0.000 2.229 848 G HA2 -0.161 3.828 3.960 0.049 0.000 0.189 848 G HA3 -0.161 3.828 3.960 0.049 0.000 0.189 848 G C 0.193 175.054 174.900 -0.066 0.000 1.000 848 G CA -0.053 44.999 45.100 -0.079 0.000 0.663 848 G HN 0.338 nan 8.290 nan 0.000 0.493 849 L N 0.369 121.541 121.223 -0.085 0.000 2.489 849 L HA 0.117 4.486 4.340 0.049 0.000 0.285 849 L C 1.544 178.366 176.870 -0.080 0.000 1.259 849 L CA 1.189 55.995 54.840 -0.056 0.000 0.828 849 L CB 0.093 42.097 42.059 -0.092 0.000 1.094 849 L HN 0.349 nan 8.230 nan 0.000 0.524 850 N N -0.510 118.160 118.700 -0.049 0.000 2.638 850 N HA 0.047 4.816 4.740 0.049 0.000 0.220 850 N C -0.262 175.275 175.510 0.045 0.000 1.031 850 N CA -0.012 53.036 53.050 -0.004 0.000 1.062 850 N CB -0.120 38.400 38.487 0.055 0.000 1.406 850 N HN 0.604 nan 8.380 nan 0.000 0.495 851 Y N 0.301 120.605 120.300 0.007 0.000 2.518 851 Y HA 0.758 5.337 4.550 0.048 0.000 0.332 851 Y C -0.269 175.652 175.900 0.035 0.000 1.276 851 Y CA -1.246 56.859 58.100 0.009 0.000 1.418 851 Y CB 0.326 38.780 38.460 -0.010 0.000 1.527 851 Y HN -0.268 nan 8.280 nan 0.000 0.549 852 V N -0.158 119.922 119.914 0.276 0.000 3.160 852 V HA 0.644 4.793 4.120 0.049 0.000 0.310 852 V C -0.983 175.301 176.094 0.316 0.000 1.181 852 V CA -0.924 61.470 62.300 0.157 0.000 1.047 852 V CB 1.700 33.596 31.823 0.122 0.000 1.068 852 V HN 0.792 nan 8.190 nan 0.000 0.441 853 S N 0.562 116.377 115.700 0.191 0.000 2.545 853 S HA 0.556 5.055 4.470 0.049 0.000 0.259 853 S C -0.748 173.922 174.600 0.118 0.000 1.092 853 S CA -0.481 57.836 58.200 0.196 0.000 1.054 853 S CB 0.433 63.811 63.200 0.297 0.000 1.146 853 S HN 1.180 nan 8.310 nan 0.000 0.447 854 C N 1.870 121.227 119.300 0.094 0.000 2.822 854 C HA 0.908 5.397 4.460 0.049 0.000 0.341 854 C C 0.767 175.786 174.990 0.049 0.000 1.301 854 C CA -0.844 58.219 59.018 0.075 0.000 1.706 854 C CB 0.739 28.529 27.740 0.084 0.000 2.178 854 C HN 0.644 nan 8.230 nan 0.000 0.481 855 S N 2.604 118.331 115.700 0.045 0.000 2.579 855 S HA 0.226 4.725 4.470 0.049 0.000 0.275 855 S C -1.330 173.261 174.600 -0.015 0.000 1.345 855 S CA -0.166 58.043 58.200 0.015 0.000 1.031 855 S CB 0.502 63.723 63.200 0.035 0.000 0.892 855 S HN 0.758 nan 8.310 nan 0.000 0.529 856 P HA -0.198 nan 4.420 nan 0.000 0.222 856 P C 0.853 177.992 177.300 -0.268 0.000 1.157 856 P CA 1.745 64.694 63.100 -0.251 0.000 0.905 856 P CB -0.041 31.386 31.700 -0.454 0.000 0.792 857 F N -1.086 118.869 119.950 0.007 0.000 2.569 857 F HA 0.031 4.587 4.527 0.048 0.000 0.295 857 F C 2.105 177.914 175.800 0.015 0.000 1.115 857 F CA 0.637 58.637 58.000 -0.000 0.000 1.450 857 F CB -0.513 38.477 39.000 -0.016 0.000 1.107 857 F HN -0.192 nan 8.300 nan 0.000 0.563 858 R N -0.015 120.595 120.500 0.184 0.000 2.313 858 R HA 0.095 4.464 4.340 0.049 0.000 0.199 858 R C 1.854 178.225 176.300 0.118 0.000 0.958 858 R CA 0.320 56.502 56.100 0.135 0.000 1.047 858 R CB -1.202 29.163 30.300 0.107 0.000 0.955 858 R HN 0.224 nan 8.270 nan 0.000 0.481 859 V N 2.512 122.494 119.914 0.114 0.000 2.261 859 V HA -0.148 4.002 4.120 0.049 0.000 0.246 859 V C -0.731 175.443 176.094 0.133 0.000 1.047 859 V CA 1.850 64.213 62.300 0.106 0.000 1.015 859 V CB -1.288 30.584 31.823 0.081 0.000 0.642 859 V HN 0.199 nan 8.190 nan 0.000 0.446 860 P HA -0.129 nan 4.420 nan 0.000 0.221 860 P C 1.543 178.943 177.300 0.167 0.000 1.145 860 P CA 1.426 64.670 63.100 0.241 0.000 0.795 860 P CB -0.078 31.865 31.700 0.404 0.000 0.775 861 I N -0.442 120.207 120.570 0.133 0.000 2.617 861 I HA -0.056 4.144 4.170 0.049 0.000 0.256 861 I C 2.401 178.574 176.117 0.093 0.000 1.167 861 I CA 0.945 62.305 61.300 0.099 0.000 1.469 861 I CB -0.935 37.114 38.000 0.081 0.000 1.098 861 I HN -0.116 nan 8.210 nan 0.000 0.436 862 A N 0.088 122.969 122.820 0.101 0.000 2.067 862 A HA -0.053 4.296 4.320 0.049 0.000 0.217 862 A C 2.373 180.016 177.584 0.097 0.000 1.156 862 A CA 0.833 52.929 52.037 0.099 0.000 0.683 862 A CB -0.326 18.734 19.000 0.101 0.000 0.808 862 A HN 0.253 nan 8.150 nan 0.000 0.455 863 R N -0.711 119.844 120.500 0.091 0.000 2.055 863 R HA 0.067 4.437 4.340 0.049 0.000 0.228 863 R C 2.107 178.452 176.300 0.075 0.000 1.143 863 R CA 1.243 57.388 56.100 0.074 0.000 0.945 863 R CB -0.510 29.815 30.300 0.041 0.000 0.841 863 R HN 0.463 nan 8.270 nan 0.000 0.429 864 L N 0.553 121.816 121.223 0.068 0.000 1.989 864 L HA -0.218 4.151 4.340 0.049 0.000 0.211 864 L C 2.510 179.418 176.870 0.063 0.000 1.071 864 L CA 1.609 56.486 54.840 0.062 0.000 0.749 864 L CB -0.602 41.492 42.059 0.058 0.000 0.890 864 L HN 0.296 nan 8.230 nan 0.000 0.431 865 A N -0.071 122.791 122.820 0.069 0.000 1.884 865 A HA -0.316 4.034 4.320 0.049 0.000 0.219 865 A C 2.365 179.994 177.584 0.076 0.000 1.197 865 A CA 2.325 54.404 52.037 0.069 0.000 0.637 865 A CB -1.004 18.044 19.000 0.080 0.000 0.827 865 A HN 0.560 nan 8.150 nan 0.000 0.450 866 A N -0.894 121.992 122.820 0.109 0.000 2.067 866 A HA 0.265 4.615 4.320 0.049 0.000 0.219 866 A C 2.356 180.007 177.584 0.112 0.000 1.158 866 A CA 1.831 53.964 52.037 0.160 0.000 0.661 866 A CB -0.753 18.363 19.000 0.193 0.000 0.801 866 A HN 1.031 nan 8.150 nan 0.000 0.452 867 A N -0.695 122.178 122.820 0.089 0.000 1.854 867 A HA -0.108 4.242 4.320 0.049 0.000 0.214 867 A C 2.100 179.686 177.584 0.003 0.000 1.192 867 A CA 1.620 53.712 52.037 0.091 0.000 0.611 867 A CB -0.575 18.494 19.000 0.115 0.000 0.832 867 A HN 0.512 nan 8.150 nan 0.000 0.442 868 Q N -0.392 119.402 119.800 -0.010 0.000 1.985 868 Q HA -0.122 4.247 4.340 0.049 0.000 0.207 868 Q C 2.369 178.311 176.000 -0.097 0.000 0.996 868 Q CA 2.071 57.846 55.803 -0.047 0.000 0.851 868 Q CB -0.575 28.153 28.738 -0.016 0.000 0.921 868 Q HN 0.648 nan 8.270 nan 0.000 0.418 869 A N 0.709 123.468 122.820 -0.102 0.000 1.887 869 A HA -0.379 3.971 4.320 0.049 0.000 0.225 869 A C 2.231 179.488 177.584 -0.545 0.000 1.464 869 A CA 2.909 54.801 52.037 -0.242 0.000 0.717 869 A CB -1.570 17.346 19.000 -0.140 0.000 0.848 869 A HN 0.535 nan 8.150 nan 0.000 0.477 870 A N -1.505 120.875 122.820 -0.733 0.000 1.898 870 A HA 0.196 4.545 4.320 0.049 0.000 0.214 870 A C 2.172 179.646 177.584 -0.182 0.000 1.183 870 A CA 1.235 52.953 52.037 -0.533 0.000 0.622 870 A CB -0.587 18.282 19.000 -0.219 0.000 0.824 870 A HN 0.518 nan 8.150 nan 0.000 0.444 871 L N 0.933 122.080 121.223 -0.126 0.000 1.978 871 L HA -0.361 4.008 4.340 0.049 0.000 0.235 871 L C 2.665 179.467 176.870 -0.113 0.000 1.094 871 L CA 2.382 57.150 54.840 -0.120 0.000 0.814 871 L CB -0.645 41.300 42.059 -0.189 0.000 0.911 871 L HN 0.762 nan 8.230 nan 0.000 0.442 872 N N -1.451 117.181 118.700 -0.113 0.000 2.396 872 N HA -0.186 4.583 4.740 0.049 0.000 0.180 872 N C 1.481 176.953 175.510 -0.062 0.000 1.028 872 N CA 0.888 53.887 53.050 -0.084 0.000 0.893 872 N CB -0.468 37.975 38.487 -0.073 0.000 0.967 872 N HN 0.366 nan 8.380 nan 0.000 0.440 873 N N 1.591 120.245 118.700 -0.076 0.000 2.036 873 N HA -0.154 4.615 4.740 0.049 0.000 0.199 873 N C 0.454 175.953 175.510 -0.019 0.000 1.036 873 N CA 1.834 54.855 53.050 -0.048 0.000 0.870 873 N CB -0.035 38.412 38.487 -0.066 0.000 1.055 873 N HN 0.590 nan 8.380 nan 0.000 0.436 874 K N 0.000 120.390 120.400 -0.017 0.000 2.780 874 K HA 0.000 4.349 4.320 0.049 0.000 0.191 874 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 874 K CB 0.000 32.510 32.500 0.016 0.000 1.064 874 K HN 0.000 nan 8.250 nan 0.000 0.543