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 3bz8_1_A DATA FIRST_RESID 2 DATA SEQUENCE NPIHDRTSDY HKYLKVKQGD SDLFKLTVSD KRYIWYNPDP KERDSYECGE DATA SEQUENCE IVSETSDSFT FKTVDXQDRQ VKKDDANQRN PIKFDGVEDM SELSYLNEPA DATA SEQUENCE VFHNLRVRYN QDLIYTYSGL FLVAVNPFKR IPIYTQEMVD IFKGRRRNEV DATA SEQUENCE APHIFAISDV AYRSMLDDRQ NQSLLITGES GAGKTENTKK VIQYLASVAG DATA SEQUENCE RXXXXXXXVL EQQILQANPI LEAFGNAKTT RNNNSSRFGK FIEIQFNSAG DATA SEQUENCE FISGASIQSY LLEKSRVVFQ SETERNYHIF YQLLAGATAE EKKALHLAGP DATA SEQUENCE ESFNYLNQSG CVDIKGVSDS EEFKITRQAM DIVGFSQEEQ MSIFKIIAGI DATA SEQUENCE LHLGNIKFEK GAGEGAVLKD KTALNAASTV FGVNPSVLEK ALMEPRILAG DATA SEQUENCE RDLVAQHLNV EKSSSSRDAL VKALYGRLFL WLVKKINNVL CQERKAYFIG DATA SEQUENCE VLDISGFEIF KVNSFEQLCI NYTNEKLQQF FNHHMFKLEQ EEYLKEKINW DATA SEQUENCE TFIDFGLDSQ ATIDLIDGRQ PPGILALLDE QSVFPNATDN TLITKLHSHF DATA SEQUENCE SKKNAKYEEP RFSKTEFGVT HYAGQVMYEI QDWLEKNKDP LQQDLELCFK DATA SEQUENCE DSSDNVVTKL FNDPNIASRA KKGANFITVA AQYKEQLASL MATLETTNPH DATA SEQUENCE FVRCIIPNNK QLPAKLEDKV VLDQLRCNGV LEGIRITRKG FPNRIIYXXF DATA SEQUENCE VXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXQYRFGI TKIFFR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.481 175.510 -0.049 0.000 1.280 2 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 2 N CB 0.000 38.541 38.487 0.089 0.000 1.341 3 P HA -0.114 nan 4.420 nan 0.000 0.217 3 P C 1.217 178.413 177.300 -0.174 0.000 1.148 3 P CA 0.992 64.032 63.100 -0.099 0.000 0.828 3 P CB 0.268 31.890 31.700 -0.130 0.000 0.783 4 I N -1.840 118.435 120.570 -0.491 0.000 2.423 4 I HA -0.245 3.923 4.170 -0.003 0.000 0.254 4 I C 1.667 177.605 176.117 -0.298 0.000 1.151 4 I CA 1.609 62.493 61.300 -0.692 0.000 1.421 4 I CB -0.673 36.801 38.000 -0.877 0.000 1.079 4 I HN 0.155 nan 8.210 nan 0.000 0.431 5 H N -1.873 117.230 119.070 0.054 0.000 2.874 5 H HA 0.124 4.678 4.556 -0.003 0.000 0.264 5 H C 0.162 175.482 175.328 -0.013 0.000 1.007 5 H CA -0.306 55.776 56.048 0.058 0.000 1.207 5 H CB 0.417 30.181 29.762 0.004 0.000 1.487 5 H HN 0.064 nan 8.280 nan 0.000 0.505 6 D N 0.502 120.950 120.400 0.079 0.000 2.396 6 D HA 0.033 4.671 4.640 -0.003 0.000 0.225 6 D C 0.981 177.206 176.300 -0.125 0.000 1.121 6 D CA -0.205 53.789 54.000 -0.011 0.000 0.853 6 D CB 0.765 41.579 40.800 0.023 0.000 1.043 6 D HN -0.121 nan 8.370 nan 0.000 0.500 7 R N 1.574 121.861 120.500 -0.354 0.000 2.293 7 R HA -0.053 4.285 4.340 -0.003 0.000 0.219 7 R C 2.023 178.252 176.300 -0.119 0.000 1.091 7 R CA 1.492 57.298 56.100 -0.491 0.000 1.004 7 R CB -1.432 28.636 30.300 -0.385 0.000 0.865 7 R HN 0.777 nan 8.270 nan 0.000 0.469 8 T N -1.900 112.622 114.554 -0.053 0.000 3.067 8 T HA 0.025 4.373 4.350 -0.003 0.000 0.257 8 T C 1.179 175.900 174.700 0.035 0.000 1.105 8 T CA 0.433 62.527 62.100 -0.010 0.000 1.104 8 T CB -0.200 68.660 68.868 -0.013 0.000 0.925 8 T HN 0.438 nan 8.240 nan 0.000 0.498 9 S N 1.523 117.278 115.700 0.092 0.000 2.580 9 S HA 0.105 4.573 4.470 -0.003 0.000 0.266 9 S C 0.595 175.270 174.600 0.123 0.000 1.354 9 S CA -0.443 57.835 58.200 0.131 0.000 1.008 9 S CB 0.490 63.798 63.200 0.181 0.000 0.898 9 S HN 0.172 nan 8.310 nan 0.000 0.555 10 D N -0.123 120.368 120.400 0.151 0.000 2.219 10 D HA -0.076 4.562 4.640 -0.003 0.000 0.205 10 D C 1.429 177.873 176.300 0.240 0.000 0.970 10 D CA 1.147 55.263 54.000 0.192 0.000 0.851 10 D CB -0.366 40.608 40.800 0.290 0.000 0.943 10 D HN 0.769 nan 8.370 nan 0.000 0.488 11 Y N 0.850 121.215 120.300 0.108 0.000 2.181 11 Y HA -0.219 4.329 4.550 -0.003 0.000 0.288 11 Y C 2.380 178.273 175.900 -0.011 0.000 1.146 11 Y CA 1.711 59.853 58.100 0.071 0.000 1.164 11 Y CB -0.216 38.255 38.460 0.018 0.000 0.982 11 Y HN 0.096 nan 8.280 nan 0.000 0.515 12 H N 0.151 119.303 119.070 0.136 0.000 2.395 12 H HA -0.108 4.446 4.556 -0.003 0.000 0.299 12 H C 2.217 177.467 175.328 -0.130 0.000 1.070 12 H CA 1.675 57.722 56.048 -0.002 0.000 1.356 12 H CB 0.101 29.903 29.762 0.066 0.000 1.401 12 H HN 0.349 nan 8.280 nan 0.000 0.524 13 K N 0.057 120.404 120.400 -0.087 0.000 2.032 13 K HA -0.178 4.140 4.320 -0.003 0.000 0.209 13 K C 1.216 177.568 176.600 -0.414 0.000 1.048 13 K CA 1.675 57.750 56.287 -0.355 0.000 0.927 13 K CB 0.089 32.212 32.500 -0.628 0.000 0.712 13 K HN 0.202 nan 8.250 nan 0.000 0.441 14 Y N -0.983 119.265 120.300 -0.086 0.000 2.442 14 Y HA 0.206 4.754 4.550 -0.003 0.000 0.250 14 Y C 1.252 177.043 175.900 -0.182 0.000 1.113 14 Y CA 0.079 58.108 58.100 -0.118 0.000 1.273 14 Y CB 0.646 39.053 38.460 -0.089 0.000 1.138 14 Y HN -0.046 nan 8.280 nan 0.000 0.522 15 L N -0.900 120.224 121.223 -0.165 0.000 2.817 15 L HA 0.231 4.569 4.340 -0.003 0.000 0.248 15 L C 0.074 176.752 176.870 -0.320 0.000 1.133 15 L CA 0.165 54.843 54.840 -0.271 0.000 0.935 15 L CB 0.448 42.245 42.059 -0.437 0.000 1.266 15 L HN -0.238 nan 8.230 nan 0.000 0.535 16 K N 0.656 120.864 120.400 -0.319 0.000 2.267 16 K HA 0.458 4.776 4.320 -0.003 0.000 0.246 16 K C -0.594 175.937 176.600 -0.114 0.000 0.954 16 K CA -0.792 55.341 56.287 -0.257 0.000 0.824 16 K CB 3.030 35.278 32.500 -0.421 0.000 1.167 16 K HN -0.348 nan 8.250 nan 0.000 0.431 17 V N 2.398 122.276 119.914 -0.061 0.000 2.599 17 V HA -0.020 4.098 4.120 -0.003 0.000 0.300 17 V C 0.929 177.027 176.094 0.008 0.000 1.034 17 V CA 0.023 62.308 62.300 -0.025 0.000 1.115 17 V CB 0.186 32.003 31.823 -0.009 0.000 0.934 17 V HN 0.575 nan 8.190 nan 0.000 0.485 18 K N 3.743 124.141 120.400 -0.003 0.000 2.448 18 K HA 0.062 4.380 4.320 -0.003 0.000 0.278 18 K C 0.314 176.927 176.600 0.020 0.000 1.009 18 K CA -0.428 55.864 56.287 0.008 0.000 0.995 18 K CB 0.391 32.883 32.500 -0.014 0.000 0.917 18 K HN 0.680 nan 8.250 nan 0.000 0.481 19 Q N 2.287 122.103 119.800 0.027 0.000 2.262 19 Q HA 0.027 4.365 4.340 -0.003 0.000 0.298 19 Q C -0.183 175.832 176.000 0.025 0.000 1.083 19 Q CA 0.727 56.546 55.803 0.027 0.000 0.962 19 Q CB 0.478 29.225 28.738 0.015 0.000 1.104 19 Q HN 0.676 nan 8.270 nan 0.000 0.376 20 G N 3.685 112.507 108.800 0.037 0.000 2.606 20 G HA2 0.312 4.270 3.960 -0.003 0.000 0.252 20 G HA3 0.312 4.270 3.960 -0.003 0.000 0.252 20 G C -0.557 174.373 174.900 0.050 0.000 1.206 20 G CA -0.193 44.933 45.100 0.043 0.000 0.861 20 G HN 0.853 nan 8.290 nan 0.000 0.561 21 D N -2.118 118.313 120.400 0.051 0.000 2.529 21 D HA 0.300 4.938 4.640 -0.003 0.000 0.273 21 D C 1.724 178.074 176.300 0.084 0.000 1.197 21 D CA 0.100 54.129 54.000 0.048 0.000 1.070 21 D CB 0.555 41.373 40.800 0.031 0.000 1.134 21 D HN 0.317 nan 8.370 nan 0.000 0.590 22 S N -0.894 114.842 115.700 0.060 0.000 2.382 22 S HA -0.207 4.261 4.470 -0.003 0.000 0.228 22 S C 1.190 175.870 174.600 0.134 0.000 1.027 22 S CA 1.070 59.322 58.200 0.087 0.000 0.991 22 S CB -0.543 62.670 63.200 0.021 0.000 0.823 22 S HN 0.457 nan 8.310 nan 0.000 0.469 23 D N 1.526 121.977 120.400 0.085 0.000 2.117 23 D HA -0.037 4.601 4.640 -0.003 0.000 0.197 23 D C 1.882 178.228 176.300 0.077 0.000 0.987 23 D CA 0.904 54.949 54.000 0.073 0.000 0.829 23 D CB -0.480 40.347 40.800 0.045 0.000 0.961 23 D HN 0.343 nan 8.370 nan 0.000 0.460 24 L N 0.119 121.389 121.223 0.078 0.000 2.056 24 L HA -0.076 4.262 4.340 -0.003 0.000 0.207 24 L C 2.124 179.038 176.870 0.073 0.000 1.078 24 L CA 1.210 56.086 54.840 0.060 0.000 0.749 24 L CB -0.807 41.283 42.059 0.051 0.000 0.901 24 L HN -0.058 nan 8.230 nan 0.000 0.433 25 F N 0.573 120.520 119.950 -0.004 0.000 2.091 25 F HA -0.318 4.207 4.527 -0.003 0.000 0.299 25 F C 2.351 178.150 175.800 -0.001 0.000 1.103 25 F CA 2.145 60.142 58.000 -0.005 0.000 1.228 25 F CB -0.200 38.797 39.000 -0.005 0.000 0.984 25 F HN 0.034 nan 8.300 nan 0.000 0.477 26 K N 0.191 120.667 120.400 0.126 0.000 2.063 26 K HA -0.177 4.141 4.320 -0.003 0.000 0.208 26 K C 2.083 178.642 176.600 -0.069 0.000 1.048 26 K CA 1.813 58.123 56.287 0.037 0.000 0.928 26 K CB -0.394 32.165 32.500 0.098 0.000 0.713 26 K HN 0.372 nan 8.250 nan 0.000 0.442 27 L N 0.410 121.603 121.223 -0.050 0.000 2.156 27 L HA -0.134 4.204 4.340 -0.003 0.000 0.208 27 L C 2.136 178.947 176.870 -0.099 0.000 1.095 27 L CA 1.121 55.929 54.840 -0.053 0.000 0.770 27 L CB -0.511 41.526 42.059 -0.037 0.000 0.914 27 L HN 0.242 nan 8.230 nan 0.000 0.439 28 T N -0.704 113.748 114.554 -0.171 0.000 2.951 28 T HA -0.090 4.258 4.350 -0.003 0.000 0.268 28 T C 1.674 176.211 174.700 -0.271 0.000 1.073 28 T CA 1.337 63.311 62.100 -0.210 0.000 1.134 28 T CB -0.112 68.612 68.868 -0.240 0.000 0.884 28 T HN 0.341 nan 8.240 nan 0.000 0.479 29 V N -0.611 119.072 119.914 -0.385 0.000 3.649 29 V HA 0.295 4.413 4.120 -0.003 0.000 0.275 29 V C 1.042 177.047 176.094 -0.150 0.000 1.281 29 V CA -0.530 61.576 62.300 -0.323 0.000 1.143 29 V CB -0.617 30.919 31.823 -0.479 0.000 0.892 29 V HN 0.270 nan 8.190 nan 0.000 0.441 30 S N 1.308 116.947 115.700 -0.102 0.000 2.558 30 S HA 0.193 4.661 4.470 -0.003 0.000 0.291 30 S C 1.313 175.905 174.600 -0.014 0.000 1.306 30 S CA 0.851 59.033 58.200 -0.029 0.000 1.056 30 S CB 0.477 63.689 63.200 0.020 0.000 0.836 30 S HN 0.822 nan 8.310 nan 0.000 0.504 31 D N 3.830 124.223 120.400 -0.011 0.000 2.348 31 D HA 0.148 4.786 4.640 -0.003 0.000 0.211 31 D C 0.700 176.983 176.300 -0.030 0.000 0.998 31 D CA 0.437 54.428 54.000 -0.015 0.000 0.873 31 D CB -0.193 40.597 40.800 -0.016 0.000 0.925 31 D HN 0.696 nan 8.370 nan 0.000 0.524 32 K N -0.016 120.365 120.400 -0.032 0.000 2.319 32 K HA 0.509 4.827 4.320 -0.003 0.000 0.265 32 K C -0.008 176.487 176.600 -0.174 0.000 1.000 32 K CA 0.136 56.337 56.287 -0.143 0.000 0.943 32 K CB 0.948 33.355 32.500 -0.155 0.000 0.950 32 K HN 0.210 nan 8.250 nan 0.000 0.485 33 R N 1.294 121.538 120.500 -0.428 0.000 2.750 33 R HA 0.426 4.764 4.340 -0.003 0.000 0.281 33 R C -1.194 174.701 176.300 -0.674 0.000 0.972 33 R CA -0.765 55.138 56.100 -0.328 0.000 0.912 33 R CB 1.247 31.393 30.300 -0.255 0.000 1.187 33 R HN 0.473 nan 8.270 nan 0.000 0.464 34 Y N -0.118 120.011 120.300 -0.286 0.000 2.634 34 Y HA 0.679 5.227 4.550 -0.003 0.000 0.340 34 Y C -0.548 175.049 175.900 -0.505 0.000 1.058 34 Y CA -0.915 56.959 58.100 -0.376 0.000 1.081 34 Y CB 2.059 40.273 38.460 -0.409 0.000 1.295 34 Y HN 0.263 nan 8.280 nan 0.000 0.487 35 I N 0.340 120.678 120.570 -0.387 0.000 2.686 35 I HA 0.443 4.611 4.170 -0.003 0.000 0.295 35 I C -1.807 174.056 176.117 -0.422 0.000 1.114 35 I CA -1.297 59.724 61.300 -0.466 0.000 1.038 35 I CB 1.182 38.828 38.000 -0.590 0.000 1.238 35 I HN 0.714 nan 8.210 nan 0.000 0.420 36 W N 7.422 128.645 121.300 -0.128 0.000 2.338 36 W HA 0.606 5.264 4.660 -0.003 0.000 0.307 36 W C -0.422 176.155 176.519 0.097 0.000 1.167 36 W CA -0.201 57.107 57.345 -0.061 0.000 1.208 36 W CB 0.853 30.165 29.460 -0.248 0.000 1.228 36 W HN 0.724 nan 8.180 nan 0.000 0.499 37 Y N 0.192 120.692 120.300 0.333 0.000 2.609 37 Y HA 0.523 5.071 4.550 -0.003 0.000 0.342 37 Y C -1.138 174.906 175.900 0.239 0.000 1.058 37 Y CA -2.216 56.004 58.100 0.201 0.000 1.055 37 Y CB 0.975 39.362 38.460 -0.121 0.000 1.292 37 Y HN 0.387 nan 8.280 nan 0.000 0.476 38 N N 3.932 122.673 118.700 0.069 0.000 2.462 38 N HA 0.292 5.030 4.740 -0.003 0.000 0.242 38 N C -2.302 173.248 175.510 0.066 0.000 1.010 38 N CA -1.562 51.404 53.050 -0.139 0.000 0.939 38 N CB 1.358 39.762 38.487 -0.139 0.000 1.127 38 N HN 0.489 nan 8.380 nan 0.000 0.509 39 P HA -0.195 nan 4.420 nan 0.000 0.216 39 P C -0.174 177.197 177.300 0.119 0.000 1.154 39 P CA 1.494 64.694 63.100 0.166 0.000 0.865 39 P CB 0.226 31.958 31.700 0.054 0.000 0.789 40 D N -1.994 118.422 120.400 0.027 0.000 2.381 40 D HA 0.152 4.790 4.640 -0.003 0.000 0.235 40 D C -2.008 174.287 176.300 -0.008 0.000 1.068 40 D CA -2.488 51.521 54.000 0.015 0.000 0.832 40 D CB 1.315 42.108 40.800 -0.011 0.000 1.101 40 D HN -0.056 nan 8.370 nan 0.000 0.515 41 P HA 0.015 nan 4.420 nan 0.000 0.233 41 P C 0.860 178.151 177.300 -0.015 0.000 1.167 41 P CA 0.728 63.834 63.100 0.011 0.000 0.770 41 P CB 0.166 31.890 31.700 0.041 0.000 0.837 42 K N 0.283 120.671 120.400 -0.019 0.000 2.365 42 K HA 0.001 4.320 4.320 -0.003 0.000 0.197 42 K C 1.052 177.622 176.600 -0.050 0.000 1.042 42 K CA 0.859 57.130 56.287 -0.027 0.000 0.987 42 K CB -0.821 31.668 32.500 -0.019 0.000 0.779 42 K HN 0.315 nan 8.250 nan 0.000 0.484 43 E N 0.423 120.580 120.200 -0.071 0.000 2.561 43 E HA 0.229 4.577 4.350 -0.003 0.000 0.225 43 E C 0.260 176.751 176.600 -0.182 0.000 1.035 43 E CA -0.432 55.904 56.400 -0.107 0.000 0.904 43 E CB 0.951 30.593 29.700 -0.096 0.000 1.291 43 E HN 0.290 nan 8.360 nan 0.000 0.444 44 R N 0.735 121.132 120.500 -0.173 0.000 2.237 44 R HA -0.082 4.256 4.340 -0.003 0.000 0.219 44 R C 0.387 176.446 176.300 -0.402 0.000 1.080 44 R CA 0.819 56.776 56.100 -0.238 0.000 0.995 44 R CB 0.200 30.435 30.300 -0.109 0.000 0.875 44 R HN 0.287 nan 8.270 nan 0.000 0.462 45 D N -0.110 120.109 120.400 -0.301 0.000 2.360 45 D HA 0.054 4.692 4.640 -0.003 0.000 0.210 45 D C 0.305 176.459 176.300 -0.242 0.000 1.047 45 D CA 0.469 54.329 54.000 -0.233 0.000 0.854 45 D CB 0.529 41.241 40.800 -0.147 0.000 0.936 45 D HN 0.165 nan 8.370 nan 0.000 0.514 46 S N 0.568 116.071 115.700 -0.327 0.000 2.422 46 S HA 0.505 4.973 4.470 -0.003 0.000 0.308 46 S C -0.589 173.819 174.600 -0.320 0.000 1.097 46 S CA -0.454 57.629 58.200 -0.196 0.000 1.099 46 S CB 0.202 63.330 63.200 -0.119 0.000 0.976 46 S HN -0.093 nan 8.310 nan 0.000 0.471 47 Y N 1.251 121.512 120.300 -0.066 0.000 2.468 47 Y HA 0.600 5.148 4.550 -0.003 0.000 0.342 47 Y C 0.360 176.215 175.900 -0.076 0.000 1.021 47 Y CA -0.704 57.340 58.100 -0.093 0.000 1.079 47 Y CB 1.668 40.108 38.460 -0.034 0.000 1.226 47 Y HN 0.527 nan 8.280 nan 0.000 0.460 48 E N 0.431 120.570 120.200 -0.102 0.000 2.320 48 E HA 0.310 4.658 4.350 -0.003 0.000 0.264 48 E C -1.157 175.546 176.600 0.173 0.000 0.923 48 E CA -0.826 55.566 56.400 -0.013 0.000 0.796 48 E CB 2.488 32.077 29.700 -0.186 0.000 1.262 48 E HN 0.644 nan 8.360 nan 0.000 0.428 49 C N 0.960 120.362 119.300 0.170 0.000 2.369 49 C HA 0.777 5.235 4.460 -0.003 0.000 0.358 49 C C 0.401 175.504 174.990 0.189 0.000 1.274 49 C CA 0.005 58.956 59.018 -0.112 0.000 1.935 49 C CB -0.899 26.578 27.740 -0.438 0.000 2.431 49 C HN 0.625 nan 8.230 nan 0.000 0.545 50 G N 4.497 113.392 108.800 0.159 0.000 2.590 50 G HA2 0.453 4.411 3.960 -0.003 0.000 0.310 50 G HA3 0.453 4.411 3.960 -0.003 0.000 0.310 50 G C -1.055 173.896 174.900 0.084 0.000 1.347 50 G CA -0.265 44.947 45.100 0.187 0.000 0.963 50 G HN 0.936 nan 8.290 nan 0.000 0.494 51 E N 2.696 122.945 120.200 0.081 0.000 2.351 51 E HA 0.100 4.448 4.350 -0.003 0.000 0.266 51 E C 0.078 176.570 176.600 -0.180 0.000 1.031 51 E CA -0.344 55.907 56.400 -0.249 0.000 0.911 51 E CB 0.479 30.035 29.700 -0.240 0.000 0.986 51 E HN 0.343 nan 8.360 nan 0.000 0.446 52 I N 5.851 126.228 120.570 -0.322 0.000 2.517 52 I HA -0.077 4.091 4.170 -0.003 0.000 0.285 52 I C 1.302 177.328 176.117 -0.151 0.000 1.106 52 I CA -0.171 61.010 61.300 -0.199 0.000 1.402 52 I CB 0.831 38.604 38.000 -0.378 0.000 1.399 52 I HN 0.566 nan 8.210 nan 0.000 0.535 53 V N 2.139 122.020 119.914 -0.055 0.000 3.085 53 V HA 0.212 4.330 4.120 -0.003 0.000 0.245 53 V C 0.687 176.769 176.094 -0.019 0.000 1.114 53 V CA 0.672 62.940 62.300 -0.053 0.000 1.108 53 V CB -0.093 31.698 31.823 -0.053 0.000 0.798 53 V HN 0.745 nan 8.190 nan 0.000 0.471 54 S N 0.249 115.963 115.700 0.023 0.000 2.656 54 S HA 0.748 5.216 4.470 -0.003 0.000 0.273 54 S C -1.055 173.623 174.600 0.130 0.000 1.168 54 S CA -0.225 58.004 58.200 0.047 0.000 0.817 54 S CB 2.469 65.678 63.200 0.016 0.000 1.146 54 S HN 0.864 nan 8.310 nan 0.000 0.475 55 E N -0.429 119.837 120.200 0.111 0.000 2.390 55 E HA 0.649 4.997 4.350 -0.003 0.000 0.277 55 E C -0.835 175.773 176.600 0.014 0.000 0.939 55 E CA -0.950 55.517 56.400 0.112 0.000 0.769 55 E CB 1.799 31.627 29.700 0.212 0.000 1.251 55 E HN 0.843 nan 8.360 nan 0.000 0.450 56 T N -1.405 113.121 114.554 -0.047 0.000 2.870 56 T HA 0.310 4.658 4.350 -0.003 0.000 0.277 56 T C 1.244 175.888 174.700 -0.093 0.000 1.000 56 T CA 0.017 62.084 62.100 -0.056 0.000 0.982 56 T CB 0.962 69.798 68.868 -0.053 0.000 1.249 56 T HN 0.584 nan 8.240 nan 0.000 0.589 57 S N 0.164 115.819 115.700 -0.076 0.000 2.440 57 S HA -0.100 4.368 4.470 -0.003 0.000 0.238 57 S C 0.993 175.519 174.600 -0.124 0.000 1.010 57 S CA 1.406 59.557 58.200 -0.082 0.000 0.972 57 S CB -0.659 62.509 63.200 -0.054 0.000 0.774 57 S HN 0.957 nan 8.310 nan 0.000 0.501 58 D N -0.575 119.741 120.400 -0.141 0.000 2.562 58 D HA 0.393 5.031 4.640 -0.003 0.000 0.246 58 D C 0.123 176.302 176.300 -0.202 0.000 1.347 58 D CA 0.338 54.242 54.000 -0.160 0.000 0.800 58 D CB -0.207 40.536 40.800 -0.095 0.000 1.111 58 D HN 0.487 nan 8.370 nan 0.000 0.508 59 S N -0.460 115.092 115.700 -0.247 0.000 2.588 59 S HA 0.708 5.176 4.470 -0.003 0.000 0.275 59 S C -1.312 173.130 174.600 -0.264 0.000 1.130 59 S CA -0.742 57.333 58.200 -0.209 0.000 0.855 59 S CB 1.359 64.513 63.200 -0.077 0.000 1.116 59 S HN -0.009 nan 8.310 nan 0.000 0.472 60 F N 1.050 121.029 119.950 0.049 0.000 2.546 60 F HA 0.711 5.236 4.527 -0.003 0.000 0.320 60 F C 0.385 176.231 175.800 0.076 0.000 1.076 60 F CA -0.554 57.486 58.000 0.066 0.000 0.928 60 F CB 2.599 41.660 39.000 0.102 0.000 1.189 60 F HN 0.398 nan 8.300 nan 0.000 0.465 61 T N 4.115 118.815 114.554 0.244 0.000 2.792 61 T HA 0.653 5.001 4.350 -0.003 0.000 0.280 61 T C -1.058 173.676 174.700 0.057 0.000 0.990 61 T CA -0.375 61.739 62.100 0.023 0.000 0.960 61 T CB 0.514 69.358 68.868 -0.041 0.000 0.939 61 T HN 0.366 nan 8.240 nan 0.000 0.439 62 F N 0.076 119.980 119.950 -0.077 0.000 2.620 62 F HA 0.795 5.320 4.527 -0.003 0.000 0.320 62 F C -0.422 175.281 175.800 -0.161 0.000 1.069 62 F CA -1.652 56.263 58.000 -0.142 0.000 0.953 62 F CB 1.124 40.018 39.000 -0.177 0.000 1.322 62 F HN 0.181 nan 8.300 nan 0.000 0.479 63 K N 0.920 121.320 120.400 0.001 0.000 2.185 63 K HA 0.479 4.797 4.320 -0.003 0.000 0.271 63 K C -0.129 176.486 176.600 0.025 0.000 1.013 63 K CA -0.584 55.677 56.287 -0.044 0.000 0.943 63 K CB 1.201 33.704 32.500 0.005 0.000 0.998 63 K HN 0.845 nan 8.250 nan 0.000 0.468 64 T N -2.361 112.163 114.554 -0.051 0.000 2.934 64 T HA 0.295 4.643 4.350 -0.003 0.000 0.283 64 T C 1.610 176.409 174.700 0.166 0.000 1.005 64 T CA -0.585 61.528 62.100 0.022 0.000 1.041 64 T CB 1.130 70.004 68.868 0.010 0.000 1.042 64 T HN 0.385 nan 8.240 nan 0.000 0.505 65 V N 1.237 121.336 119.914 0.309 0.000 2.392 65 V HA -0.047 4.071 4.120 -0.003 0.000 0.249 65 V C 1.173 177.349 176.094 0.136 0.000 1.059 65 V CA 2.294 64.724 62.300 0.215 0.000 1.051 65 V CB -1.491 30.462 31.823 0.217 0.000 0.658 65 V HN 1.105 nan 8.190 nan 0.000 0.455 69 D N 0.195 120.493 120.400 -0.170 0.000 2.819 69 D HA 0.699 5.337 4.640 -0.003 0.000 0.232 69 D C -0.802 175.267 176.300 -0.384 0.000 1.160 69 D CA -0.425 53.410 54.000 -0.275 0.000 0.858 69 D CB 1.643 42.324 40.800 -0.198 0.000 1.610 69 D HN 0.399 nan 8.370 nan 0.000 0.481 70 R N 0.950 121.025 120.500 -0.707 0.000 2.771 70 R HA 0.522 4.860 4.340 -0.003 0.000 0.274 70 R C -0.896 174.931 176.300 -0.789 0.000 0.987 70 R CA -0.879 54.769 56.100 -0.753 0.000 0.908 70 R CB 2.671 32.408 30.300 -0.937 0.000 1.213 70 R HN 0.368 nan 8.270 nan 0.000 0.468 71 Q N 1.255 120.841 119.800 -0.357 0.000 2.297 71 Q HA 0.695 5.033 4.340 -0.003 0.000 0.268 71 Q C -1.714 174.321 176.000 0.057 0.000 1.045 71 Q CA -0.818 54.913 55.803 -0.120 0.000 0.861 71 Q CB 2.496 31.191 28.738 -0.071 0.000 1.344 71 Q HN 0.377 nan 8.270 nan 0.000 0.452 72 V N 2.511 122.528 119.914 0.172 0.000 2.924 72 V HA 0.341 4.459 4.120 -0.003 0.000 0.300 72 V C -1.569 174.593 176.094 0.113 0.000 1.227 72 V CA -0.818 61.608 62.300 0.211 0.000 0.954 72 V CB 2.240 34.297 31.823 0.390 0.000 1.055 72 V HN 0.785 nan 8.190 nan 0.000 0.429 73 K N 3.771 124.206 120.400 0.058 0.000 2.489 73 K HA 0.155 4.473 4.320 -0.003 0.000 0.278 73 K C 1.138 177.720 176.600 -0.029 0.000 1.000 73 K CA 0.566 56.847 56.287 -0.008 0.000 1.012 73 K CB 0.443 32.944 32.500 0.001 0.000 0.903 73 K HN 0.640 nan 8.250 nan 0.000 0.485 74 K N 1.565 121.867 120.400 -0.164 0.000 2.211 74 K HA -0.176 4.142 4.320 -0.003 0.000 0.204 74 K C 0.762 177.333 176.600 -0.048 0.000 1.047 74 K CA 1.454 57.606 56.287 -0.224 0.000 0.935 74 K CB 0.096 32.346 32.500 -0.418 0.000 0.728 74 K HN 0.540 nan 8.250 nan 0.000 0.452 75 D N 0.978 121.358 120.400 -0.034 0.000 2.144 75 D HA -0.108 4.530 4.640 -0.003 0.000 0.200 75 D C 0.919 177.237 176.300 0.031 0.000 0.978 75 D CA 1.088 55.087 54.000 -0.001 0.000 0.833 75 D CB -0.021 40.773 40.800 -0.009 0.000 0.961 75 D HN 0.183 nan 8.370 nan 0.000 0.470 76 D N -0.059 120.370 120.400 0.048 0.000 2.340 76 D HA 0.149 4.787 4.640 -0.003 0.000 0.217 76 D C 0.298 176.661 176.300 0.104 0.000 1.081 76 D CA -0.001 54.044 54.000 0.075 0.000 0.842 76 D CB 0.071 40.919 40.800 0.081 0.000 0.934 76 D HN 0.014 nan 8.370 nan 0.000 0.511 77 A N 1.179 124.066 122.820 0.111 0.000 2.409 77 A HA 0.211 4.529 4.320 -0.003 0.000 0.267 77 A C 0.351 177.981 177.584 0.077 0.000 1.127 77 A CA -0.421 51.698 52.037 0.137 0.000 0.795 77 A CB 0.231 19.392 19.000 0.268 0.000 1.061 77 A HN -0.039 nan 8.150 nan 0.000 0.502 78 N N 3.459 122.202 118.700 0.071 0.000 2.767 78 N HA 0.091 4.829 4.740 -0.003 0.000 0.238 78 N C -0.583 174.922 175.510 -0.009 0.000 1.083 78 N CA 0.043 53.132 53.050 0.065 0.000 0.964 78 N CB 0.936 39.498 38.487 0.125 0.000 1.252 78 N HN 0.701 nan 8.380 nan 0.000 0.512 79 Q N 0.934 120.619 119.800 -0.191 0.000 2.352 79 Q HA 0.109 4.447 4.340 -0.003 0.000 0.260 79 Q C 0.413 176.293 176.000 -0.199 0.000 0.976 79 Q CA 0.080 55.621 55.803 -0.437 0.000 0.881 79 Q CB 1.720 29.822 28.738 -1.060 0.000 1.235 79 Q HN 0.332 nan 8.270 nan 0.000 0.419 80 R N 2.717 123.058 120.500 -0.265 0.000 2.340 80 R HA 0.068 4.406 4.340 -0.003 0.000 0.300 80 R C -0.267 176.188 176.300 0.258 0.000 1.069 80 R CA -0.435 55.563 56.100 -0.170 0.000 0.984 80 R CB 0.562 30.439 30.300 -0.704 0.000 1.003 80 R HN 0.576 nan 8.270 nan 0.000 0.459 81 N N 4.666 123.602 118.700 0.394 0.000 2.407 81 N HA 0.035 4.773 4.740 -0.003 0.000 0.250 81 N C -2.321 173.358 175.510 0.281 0.000 1.236 81 N CA -0.703 52.544 53.050 0.328 0.000 0.879 81 N CB 0.460 39.054 38.487 0.179 0.000 1.088 81 N HN 0.477 nan 8.380 nan 0.000 0.450 82 P HA -0.065 nan 4.420 nan 0.000 0.261 82 P C 1.161 178.586 177.300 0.208 0.000 1.165 82 P CA 0.249 63.484 63.100 0.226 0.000 0.759 82 P CB 0.266 32.094 31.700 0.212 0.000 0.772 83 I N 2.628 123.249 120.570 0.086 0.000 3.010 83 I HA -0.225 3.943 4.170 -0.003 0.000 0.271 83 I C 1.494 177.633 176.117 0.037 0.000 1.293 83 I CA 1.008 62.351 61.300 0.072 0.000 1.452 83 I CB -0.624 37.378 38.000 0.004 0.000 1.082 83 I HN 0.247 nan 8.210 nan 0.000 0.484 84 K N 0.723 121.090 120.400 -0.056 0.000 2.280 84 K HA -0.089 4.229 4.320 -0.003 0.000 0.202 84 K C 1.315 177.802 176.600 -0.188 0.000 1.047 84 K CA 1.447 57.634 56.287 -0.167 0.000 0.942 84 K CB -0.620 31.702 32.500 -0.296 0.000 0.739 84 K HN 0.324 nan 8.250 nan 0.000 0.457 85 F N 2.020 121.983 119.950 0.022 0.000 2.710 85 F HA 0.084 4.609 4.527 -0.003 0.000 0.298 85 F C -0.003 175.824 175.800 0.045 0.000 1.137 85 F CA -0.120 57.898 58.000 0.030 0.000 1.444 85 F CB -0.103 38.915 39.000 0.030 0.000 1.111 85 F HN -0.076 nan 8.300 nan 0.000 0.580 86 D N 0.315 120.839 120.400 0.206 0.000 2.346 86 D HA 0.375 5.014 4.640 -0.003 0.000 0.260 86 D C 1.297 177.633 176.300 0.059 0.000 1.252 86 D CA 1.000 55.086 54.000 0.143 0.000 0.895 86 D CB 0.606 41.498 40.800 0.154 0.000 1.097 86 D HN 0.356 nan 8.370 nan 0.000 0.489 87 G N 1.449 110.266 108.800 0.029 0.000 2.192 87 G HA2 -0.237 3.721 3.960 -0.003 0.000 0.193 87 G HA3 -0.237 3.721 3.960 -0.003 0.000 0.193 87 G C 0.442 175.362 174.900 0.034 0.000 0.999 87 G CA -0.114 44.989 45.100 0.004 0.000 0.659 87 G HN 0.583 nan 8.290 nan 0.000 0.503 88 V N 1.125 121.090 119.914 0.085 0.000 2.814 88 V HA 0.202 4.320 4.120 -0.003 0.000 0.307 88 V C 1.607 177.750 176.094 0.082 0.000 1.089 88 V CA 1.623 63.992 62.300 0.115 0.000 1.212 88 V CB 1.072 33.026 31.823 0.219 0.000 0.912 88 V HN 0.500 nan 8.190 nan 0.000 0.497 89 E N 2.590 122.847 120.200 0.096 0.000 2.230 89 E HA 0.012 4.360 4.350 -0.003 0.000 0.192 89 E C 0.002 176.697 176.600 0.158 0.000 0.987 89 E CA 0.454 56.914 56.400 0.101 0.000 0.841 89 E CB 0.283 30.062 29.700 0.133 0.000 0.783 89 E HN 0.722 nan 8.360 nan 0.000 0.481 90 D N -0.309 120.189 120.400 0.163 0.000 2.549 90 D HA 0.159 4.797 4.640 -0.003 0.000 0.251 90 D C 0.389 176.738 176.300 0.081 0.000 1.153 90 D CA -0.267 53.827 54.000 0.156 0.000 0.861 90 D CB 1.257 42.143 40.800 0.143 0.000 1.207 90 D HN -0.104 nan 8.370 nan 0.000 0.543 91 M N 1.620 121.244 119.600 0.040 0.000 2.619 91 M HA -0.076 4.402 4.480 -0.003 0.000 0.251 91 M C 1.837 178.125 176.300 -0.020 0.000 1.106 91 M CA 0.336 55.640 55.300 0.007 0.000 1.086 91 M CB 0.042 32.641 32.600 -0.001 0.000 1.465 91 M HN 0.365 nan 8.290 nan 0.000 0.506 92 S N 0.220 115.908 115.700 -0.019 0.000 2.507 92 S HA -0.103 4.365 4.470 -0.003 0.000 0.235 92 S C 1.363 175.947 174.600 -0.026 0.000 0.988 92 S CA 0.847 59.032 58.200 -0.024 0.000 0.944 92 S CB -0.390 62.793 63.200 -0.028 0.000 0.762 92 S HN 0.546 nan 8.310 nan 0.000 0.526 93 E N 0.748 120.946 120.200 -0.003 0.000 2.347 93 E HA 0.146 4.494 4.350 -0.003 0.000 0.196 93 E C 0.051 176.557 176.600 -0.156 0.000 1.008 93 E CA -0.045 56.366 56.400 0.019 0.000 0.852 93 E CB -0.217 29.570 29.700 0.145 0.000 0.783 93 E HN 0.581 nan 8.360 nan 0.000 0.505 94 L N 1.300 122.356 121.223 -0.278 0.000 2.514 94 L HA -0.061 4.277 4.340 -0.003 0.000 0.280 94 L C 1.426 177.903 176.870 -0.653 0.000 1.223 94 L CA -0.218 54.236 54.840 -0.642 0.000 0.864 94 L CB 0.757 42.624 42.059 -0.320 0.000 1.118 94 L HN 0.047 nan 8.230 nan 0.000 0.494 95 S N 1.104 116.214 115.700 -0.984 0.000 2.371 95 S HA -0.052 4.416 4.470 -0.003 0.000 0.224 95 S C -0.044 174.258 174.600 -0.497 0.000 1.029 95 S CA 1.002 58.794 58.200 -0.679 0.000 0.978 95 S CB -0.075 62.613 63.200 -0.854 0.000 0.833 95 S HN 0.366 nan 8.310 nan 0.000 0.466 96 Y N 0.946 121.158 120.300 -0.146 0.000 2.369 96 Y HA 0.525 5.073 4.550 -0.003 0.000 0.337 96 Y C -0.263 175.613 175.900 -0.040 0.000 0.961 96 Y CA -1.365 56.707 58.100 -0.046 0.000 1.186 96 Y CB 0.632 39.095 38.460 0.004 0.000 1.139 96 Y HN -0.095 nan 8.280 nan 0.000 0.494 97 L N 6.324 127.626 121.223 0.132 0.000 2.314 97 L HA 0.582 4.920 4.340 -0.003 0.000 0.275 97 L C -0.890 176.035 176.870 0.092 0.000 1.068 97 L CA -0.336 54.552 54.840 0.079 0.000 0.894 97 L CB -1.163 40.932 42.059 0.061 0.000 1.275 97 L HN 0.993 nan 8.230 nan 0.000 0.432 98 N N 0.317 119.063 118.700 0.077 0.000 2.853 98 N HA 0.372 5.110 4.740 -0.003 0.000 0.258 98 N C 0.417 175.922 175.510 -0.009 0.000 1.444 98 N CA -0.628 52.451 53.050 0.048 0.000 0.837 98 N CB 0.842 39.363 38.487 0.056 0.000 1.489 98 N HN 0.219 nan 8.380 nan 0.000 0.529 99 E N -0.743 119.434 120.200 -0.039 0.000 2.031 99 E HA -0.080 4.268 4.350 -0.003 0.000 0.193 99 E C -0.947 175.527 176.600 -0.209 0.000 0.994 99 E CA 1.505 57.860 56.400 -0.075 0.000 0.800 99 E CB -0.782 28.903 29.700 -0.024 0.000 0.752 99 E HN 0.596 nan 8.360 nan 0.000 0.447 100 P HA -0.103 nan 4.420 nan 0.000 0.221 100 P C 0.974 177.803 177.300 -0.786 0.000 1.150 100 P CA 1.379 63.936 63.100 -0.905 0.000 0.800 100 P CB 0.136 30.755 31.700 -1.801 0.000 0.787 101 A N 0.155 122.742 122.820 -0.388 0.000 1.873 101 A HA -0.092 4.226 4.320 -0.003 0.000 0.215 101 A C 2.470 180.045 177.584 -0.014 0.000 1.186 101 A CA 1.641 53.652 52.037 -0.043 0.000 0.616 101 A CB -1.582 17.510 19.000 0.154 0.000 0.823 101 A HN 0.051 nan 8.150 nan 0.000 0.442 102 V N -1.103 118.799 119.914 -0.020 0.000 2.307 102 V HA -0.201 3.917 4.120 -0.003 0.000 0.245 102 V C 2.279 178.391 176.094 0.031 0.000 1.045 102 V CA 2.052 64.362 62.300 0.016 0.000 1.024 102 V CB -0.879 30.966 31.823 0.036 0.000 0.651 102 V HN 0.625 nan 8.190 nan 0.000 0.449 103 F N 1.138 120.991 119.950 -0.161 0.000 2.126 103 F HA -0.218 4.308 4.527 -0.003 0.000 0.299 103 F C 2.429 178.124 175.800 -0.174 0.000 1.096 103 F CA 2.277 60.172 58.000 -0.175 0.000 1.255 103 F CB -0.831 38.038 39.000 -0.218 0.000 0.997 103 F HN 0.373 nan 8.300 nan 0.000 0.479 104 H N -0.174 118.610 119.070 -0.476 0.000 2.352 104 H HA -0.172 4.382 4.556 -0.003 0.000 0.299 104 H C 2.164 177.328 175.328 -0.273 0.000 1.097 104 H CA 2.235 57.977 56.048 -0.509 0.000 1.311 104 H CB -0.658 28.879 29.762 -0.375 0.000 1.377 104 H HN 0.319 nan 8.280 nan 0.000 0.504 105 N N -0.218 118.366 118.700 -0.193 0.000 2.120 105 N HA -0.119 4.619 4.740 -0.003 0.000 0.188 105 N C 1.898 177.291 175.510 -0.194 0.000 1.024 105 N CA 1.438 54.393 53.050 -0.158 0.000 0.852 105 N CB -0.254 38.219 38.487 -0.022 0.000 1.003 105 N HN 0.425 nan 8.380 nan 0.000 0.424 106 L N 0.010 121.125 121.223 -0.179 0.000 2.083 106 L HA -0.096 4.243 4.340 -0.003 0.000 0.209 106 L C 2.659 179.405 176.870 -0.208 0.000 1.083 106 L CA 0.941 55.697 54.840 -0.140 0.000 0.752 106 L CB -0.418 41.608 42.059 -0.057 0.000 0.899 106 L HN 0.260 nan 8.230 nan 0.000 0.433 107 R N 0.063 120.308 120.500 -0.426 0.000 2.081 107 R HA -0.144 4.194 4.340 -0.003 0.000 0.235 107 R C 2.199 178.341 176.300 -0.263 0.000 1.131 107 R CA 1.534 57.380 56.100 -0.423 0.000 0.960 107 R CB -0.183 29.700 30.300 -0.696 0.000 0.856 107 R HN 0.161 nan 8.270 nan 0.000 0.436 108 V N 1.247 120.944 119.914 -0.362 0.000 2.343 108 V HA -0.240 3.878 4.120 -0.003 0.000 0.247 108 V C 2.493 178.510 176.094 -0.128 0.000 1.051 108 V CA 2.005 64.153 62.300 -0.254 0.000 1.036 108 V CB -0.491 31.159 31.823 -0.289 0.000 0.654 108 V HN 0.404 nan 8.190 nan 0.000 0.451 109 R N -1.418 119.017 120.500 -0.108 0.000 2.066 109 R HA -0.159 4.179 4.340 -0.003 0.000 0.232 109 R C 2.347 178.626 176.300 -0.035 0.000 1.131 109 R CA 1.829 57.889 56.100 -0.067 0.000 0.955 109 R CB -0.560 29.703 30.300 -0.062 0.000 0.851 109 R HN 0.537 nan 8.270 nan 0.000 0.432 110 Y N 2.458 122.669 120.300 -0.149 0.000 2.165 110 Y HA -0.228 4.320 4.550 -0.003 0.000 0.286 110 Y C 1.839 177.679 175.900 -0.100 0.000 1.155 110 Y CA 1.528 59.551 58.100 -0.128 0.000 1.164 110 Y CB -0.250 38.139 38.460 -0.117 0.000 0.978 110 Y HN 0.042 nan 8.280 nan 0.000 0.513 111 N N 0.221 118.934 118.700 0.021 0.000 2.272 111 N HA -0.179 4.559 4.740 -0.003 0.000 0.185 111 N C 0.948 176.404 175.510 -0.090 0.000 1.014 111 N CA 1.579 54.606 53.050 -0.038 0.000 0.870 111 N CB -0.304 38.169 38.487 -0.024 0.000 0.975 111 N HN 0.610 nan 8.380 nan 0.000 0.433 112 Q N 0.089 119.830 119.800 -0.099 0.000 2.220 112 Q HA 0.084 4.422 4.340 -0.003 0.000 0.205 112 Q C -0.714 175.208 176.000 -0.130 0.000 0.865 112 Q CA -0.192 55.553 55.803 -0.097 0.000 0.960 112 Q CB 0.596 29.289 28.738 -0.075 0.000 1.097 112 Q HN 0.105 nan 8.270 nan 0.000 0.493 113 D N 0.269 120.536 120.400 -0.221 0.000 2.981 113 D HA -0.158 4.480 4.640 -0.003 0.000 0.223 113 D C -0.828 175.342 176.300 -0.216 0.000 1.151 113 D CA 0.793 54.633 54.000 -0.268 0.000 0.827 113 D CB -1.347 39.347 40.800 -0.176 0.000 1.101 113 D HN 0.331 nan 8.370 nan 0.000 0.426 114 L N 1.465 122.581 121.223 -0.178 0.000 2.288 114 L HA 0.354 4.692 4.340 -0.003 0.000 0.283 114 L C 2.077 178.846 176.870 -0.168 0.000 1.072 114 L CA -0.484 54.260 54.840 -0.160 0.000 0.862 114 L CB 0.444 42.437 42.059 -0.110 0.000 1.245 114 L HN 0.104 nan 8.230 nan 0.000 0.432 115 I N -1.478 118.910 120.570 -0.303 0.000 3.427 115 I HA 0.100 4.268 4.170 -0.003 0.000 0.288 115 I C -0.147 175.696 176.117 -0.458 0.000 1.249 115 I CA 0.214 61.304 61.300 -0.350 0.000 1.421 115 I CB 0.162 37.864 38.000 -0.497 0.000 1.086 115 I HN 0.211 nan 8.210 nan 0.000 0.448 116 Y N 2.142 122.329 120.300 -0.188 0.000 2.330 116 Y HA 0.630 5.178 4.550 -0.003 0.000 0.336 116 Y C -0.077 175.663 175.900 -0.265 0.000 1.036 116 Y CA -0.924 57.024 58.100 -0.253 0.000 1.125 116 Y CB 1.664 39.909 38.460 -0.358 0.000 1.194 116 Y HN -0.068 nan 8.280 nan 0.000 0.469 117 T N 2.627 117.110 114.554 -0.118 0.000 2.993 117 T HA 0.364 4.712 4.350 -0.003 0.000 0.312 117 T C -1.266 173.294 174.700 -0.233 0.000 1.115 117 T CA -0.968 61.031 62.100 -0.169 0.000 1.027 117 T CB 0.620 69.448 68.868 -0.067 0.000 1.116 117 T HN 0.189 nan 8.240 nan 0.000 0.464 118 Y N 1.448 121.754 120.300 0.009 0.000 2.301 118 Y HA 0.512 5.060 4.550 -0.003 0.000 0.328 118 Y C 1.205 177.022 175.900 -0.139 0.000 1.242 118 Y CA -0.630 57.435 58.100 -0.059 0.000 1.323 118 Y CB 1.018 39.450 38.460 -0.048 0.000 1.266 118 Y HN 0.639 nan 8.280 nan 0.000 0.527 119 S N 1.506 117.128 115.700 -0.130 0.000 2.386 119 S HA 0.544 5.012 4.470 -0.003 0.000 0.152 119 S C 0.158 174.392 174.600 -0.610 0.000 1.511 119 S CA 0.040 58.041 58.200 -0.332 0.000 1.246 119 S CB -0.622 62.379 63.200 -0.333 0.000 1.338 119 S HN 1.411 nan 8.310 nan 0.000 0.409 120 G N 3.379 112.013 108.800 -0.275 0.000 2.536 120 G HA2 -0.303 3.655 3.960 -0.003 0.000 0.280 120 G HA3 -0.303 3.655 3.960 -0.003 0.000 0.280 120 G C 0.546 175.316 174.900 -0.216 0.000 1.152 120 G CA 0.332 45.299 45.100 -0.220 0.000 0.970 120 G HN 0.973 nan 8.290 nan 0.000 0.549 121 L N 1.213 122.350 121.223 -0.145 0.000 2.291 121 L HA 0.310 4.648 4.340 -0.003 0.000 0.214 121 L C 1.338 178.312 176.870 0.174 0.000 1.120 121 L CA 1.151 56.005 54.840 0.023 0.000 0.799 121 L CB -0.439 41.697 42.059 0.128 0.000 0.925 121 L HN 0.442 nan 8.230 nan 0.000 0.446 122 F N -2.086 117.996 119.950 0.219 0.000 2.556 122 F HA 0.646 5.171 4.527 -0.003 0.000 0.327 122 F C -0.504 175.501 175.800 0.342 0.000 1.059 122 F CA -2.127 56.054 58.000 0.303 0.000 0.953 122 F CB 0.619 39.838 39.000 0.365 0.000 1.227 122 F HN -0.392 nan 8.300 nan 0.000 0.478 123 L N 2.615 124.135 121.223 0.495 0.000 2.326 123 L HA 0.626 4.964 4.340 -0.003 0.000 0.278 123 L C -0.793 176.249 176.870 0.288 0.000 1.092 123 L CA -0.448 54.577 54.840 0.308 0.000 0.810 123 L CB 1.249 43.434 42.059 0.209 0.000 1.153 123 L HN 0.589 nan 8.230 nan 0.000 0.439 124 V N 4.766 124.778 119.914 0.164 0.000 2.472 124 V HA 0.804 4.922 4.120 -0.003 0.000 0.290 124 V C 0.099 176.260 176.094 0.112 0.000 1.037 124 V CA -0.403 61.985 62.300 0.146 0.000 0.908 124 V CB 1.229 33.114 31.823 0.104 0.000 0.985 124 V HN 0.963 nan 8.190 nan 0.000 0.454 125 A N 4.610 127.485 122.820 0.090 0.000 2.332 125 A HA 0.787 5.105 4.320 -0.003 0.000 0.300 125 A C -0.918 176.619 177.584 -0.079 0.000 1.153 125 A CA -0.478 51.560 52.037 0.002 0.000 0.764 125 A CB 1.381 20.460 19.000 0.132 0.000 1.174 125 A HN 0.628 nan 8.150 nan 0.000 0.467 126 V N 3.371 123.210 119.914 -0.125 0.000 2.370 126 V HA 0.212 4.330 4.120 -0.003 0.000 0.283 126 V C 0.444 176.498 176.094 -0.066 0.000 1.023 126 V CA -1.032 61.210 62.300 -0.096 0.000 0.857 126 V CB 1.323 33.068 31.823 -0.130 0.000 0.985 126 V HN 0.905 nan 8.190 nan 0.000 0.443 127 N N 7.834 126.442 118.700 -0.154 0.000 2.374 127 N HA 0.023 4.761 4.740 -0.003 0.000 0.269 127 N C -1.251 174.198 175.510 -0.103 0.000 1.310 127 N CA -1.215 51.660 53.050 -0.292 0.000 0.877 127 N CB 1.442 39.535 38.487 -0.656 0.000 1.096 127 N HN 0.355 nan 8.380 nan 0.000 0.484 128 P HA -0.029 nan 4.420 nan 0.000 0.220 128 P C 0.010 177.361 177.300 0.084 0.000 1.152 128 P CA 0.436 63.507 63.100 -0.048 0.000 0.812 128 P CB -0.027 31.582 31.700 -0.153 0.000 0.792 129 F N -0.201 119.774 119.950 0.041 0.000 3.090 129 F HA -0.262 4.262 4.527 -0.003 0.000 0.282 129 F C 0.632 176.433 175.800 0.002 0.000 0.923 129 F CA 1.177 59.194 58.000 0.027 0.000 0.977 129 F CB -2.307 36.719 39.000 0.044 0.000 0.954 129 F HN 0.208 nan 8.300 nan 0.000 0.695 130 K N -2.979 117.488 120.400 0.113 0.000 2.642 130 K HA 0.855 5.173 4.320 -0.003 0.000 0.290 130 K C -0.349 176.259 176.600 0.012 0.000 1.006 130 K CA -0.802 55.519 56.287 0.057 0.000 0.869 130 K CB 1.063 33.578 32.500 0.026 0.000 1.499 130 K HN 0.145 nan 8.250 nan 0.000 0.403 131 R N 1.440 121.945 120.500 0.009 0.000 2.389 131 R HA 0.593 4.931 4.340 -0.003 0.000 0.295 131 R C -0.262 176.008 176.300 -0.050 0.000 1.075 131 R CA -0.050 56.052 56.100 0.004 0.000 1.005 131 R CB -0.437 29.869 30.300 0.010 0.000 0.987 131 R HN 0.552 nan 8.270 nan 0.000 0.452 132 I N 3.850 124.380 120.570 -0.067 0.000 2.498 132 I HA 0.357 4.525 4.170 -0.003 0.000 0.290 132 I C -1.891 174.064 176.117 -0.270 0.000 1.032 132 I CA -2.340 58.841 61.300 -0.197 0.000 1.073 132 I CB 3.141 41.014 38.000 -0.213 0.000 1.251 132 I HN 0.525 nan 8.210 nan 0.000 0.426 133 P HA 0.180 nan 4.420 nan 0.000 0.225 133 P C 0.430 177.533 177.300 -0.328 0.000 1.768 133 P CA 0.215 63.070 63.100 -0.407 0.000 0.943 133 P CB -0.597 30.724 31.700 -0.631 0.000 1.936 134 I N -5.400 114.940 120.570 -0.382 0.000 4.009 134 I HA 0.309 4.477 4.170 -0.003 0.000 0.331 134 I C -0.255 175.670 176.117 -0.319 0.000 1.462 134 I CA -0.354 60.725 61.300 -0.368 0.000 1.117 134 I CB -0.045 37.673 38.000 -0.469 0.000 1.091 134 I HN -0.184 nan 8.210 nan 0.000 0.410 135 Y N 1.571 121.974 120.300 0.171 0.000 2.715 135 Y HA 0.309 4.857 4.550 -0.003 0.000 0.255 135 Y C 1.143 177.240 175.900 0.328 0.000 1.139 135 Y CA -1.017 57.264 58.100 0.302 0.000 1.151 135 Y CB -0.172 38.411 38.460 0.204 0.000 1.201 135 Y HN 0.155 nan 8.280 nan 0.000 0.556 136 T N -3.603 111.163 114.554 0.354 0.000 2.849 136 T HA 0.101 4.449 4.350 -0.003 0.000 0.284 136 T C 1.284 176.122 174.700 0.230 0.000 1.004 136 T CA -0.449 61.795 62.100 0.241 0.000 1.021 136 T CB 1.442 70.409 68.868 0.165 0.000 1.013 136 T HN 0.089 nan 8.240 nan 0.000 0.527 137 Q N 0.650 120.532 119.800 0.136 0.000 2.133 137 Q HA -0.197 4.141 4.340 -0.003 0.000 0.208 137 Q C 1.938 177.992 176.000 0.091 0.000 0.991 137 Q CA 2.277 58.125 55.803 0.076 0.000 0.867 137 Q CB -0.657 28.106 28.738 0.042 0.000 0.911 137 Q HN 0.881 nan 8.270 nan 0.000 0.417 138 E N -0.914 119.353 120.200 0.113 0.000 2.077 138 E HA -0.172 4.176 4.350 -0.003 0.000 0.193 138 E C 1.888 178.592 176.600 0.172 0.000 0.989 138 E CA 1.489 57.958 56.400 0.115 0.000 0.800 138 E CB -0.290 29.477 29.700 0.112 0.000 0.746 138 E HN 0.338 nan 8.360 nan 0.000 0.452 139 M N 0.301 120.055 119.600 0.257 0.000 2.080 139 M HA -0.141 4.337 4.480 -0.003 0.000 0.260 139 M C 2.317 178.906 176.300 0.482 0.000 1.068 139 M CA 1.167 56.710 55.300 0.405 0.000 1.109 139 M CB -0.963 31.898 32.600 0.435 0.000 1.342 139 M HN 0.053 nan 8.290 nan 0.000 0.405 140 V N 0.993 121.090 119.914 0.305 0.000 2.255 140 V HA -0.292 3.826 4.120 -0.003 0.000 0.247 140 V C 2.024 178.198 176.094 0.134 0.000 1.051 140 V CA 2.117 64.459 62.300 0.070 0.000 1.018 140 V CB -0.923 30.786 31.823 -0.189 0.000 0.641 140 V HN 0.353 nan 8.190 nan 0.000 0.445 141 D N -0.036 120.405 120.400 0.068 0.000 2.149 141 D HA -0.150 4.488 4.640 -0.003 0.000 0.198 141 D C 2.042 178.363 176.300 0.036 0.000 0.990 141 D CA 1.359 55.373 54.000 0.024 0.000 0.839 141 D CB -0.277 40.528 40.800 0.008 0.000 0.948 141 D HN 0.429 nan 8.370 nan 0.000 0.460 142 I N -0.300 120.306 120.570 0.061 0.000 2.208 142 I HA -0.263 3.905 4.170 -0.003 0.000 0.245 142 I C 1.893 177.925 176.117 -0.141 0.000 1.097 142 I CA 0.987 62.238 61.300 -0.081 0.000 1.363 142 I CB -0.237 37.679 38.000 -0.139 0.000 1.051 142 I HN -0.088 nan 8.210 nan 0.000 0.413 143 F N 0.858 120.862 119.950 0.090 0.000 2.615 143 F HA 0.065 4.590 4.527 -0.003 0.000 0.297 143 F C 1.455 177.338 175.800 0.139 0.000 1.124 143 F CA 0.235 58.301 58.000 0.110 0.000 1.451 143 F CB -0.099 38.962 39.000 0.102 0.000 1.103 143 F HN -0.145 nan 8.300 nan 0.000 0.569 144 K N 0.732 121.285 120.400 0.255 0.000 2.437 144 K HA 0.122 4.440 4.320 -0.003 0.000 0.277 144 K C 1.199 177.853 176.600 0.090 0.000 1.073 144 K CA 1.004 57.380 56.287 0.148 0.000 1.105 144 K CB -0.266 32.234 32.500 0.000 0.000 0.881 144 K HN 0.453 nan 8.250 nan 0.000 0.475 145 G N 3.839 112.709 108.800 0.117 0.000 2.234 145 G HA2 -0.241 3.717 3.960 -0.003 0.000 0.260 145 G HA3 -0.241 3.717 3.960 -0.003 0.000 0.260 145 G C -0.266 174.668 174.900 0.056 0.000 0.987 145 G CA -0.067 45.074 45.100 0.069 0.000 0.625 145 G HN 0.600 nan 8.290 nan 0.000 0.532 146 R N 1.203 121.745 120.500 0.071 0.000 2.316 146 R HA 0.440 4.778 4.340 -0.003 0.000 0.314 146 R C 0.977 177.316 176.300 0.065 0.000 1.069 146 R CA -0.585 55.538 56.100 0.038 0.000 0.959 146 R CB 0.217 30.505 30.300 -0.021 0.000 0.987 146 R HN 0.494 nan 8.270 nan 0.000 0.446 147 R N 1.349 121.869 120.500 0.033 0.000 2.758 147 R HA -0.048 4.290 4.340 -0.003 0.000 0.263 147 R C 1.614 177.938 176.300 0.041 0.000 1.010 147 R CA 0.112 56.227 56.100 0.025 0.000 1.114 147 R CB 0.538 30.841 30.300 0.006 0.000 0.985 147 R HN 0.561 nan 8.270 nan 0.000 0.439 148 R N 1.676 122.185 120.500 0.015 0.000 2.096 148 R HA -0.172 4.166 4.340 -0.003 0.000 0.235 148 R C 1.300 177.613 176.300 0.020 0.000 1.127 148 R CA 2.082 58.185 56.100 0.004 0.000 0.968 148 R CB -0.131 30.082 30.300 -0.143 0.000 0.861 148 R HN 0.669 nan 8.270 nan 0.000 0.440 149 N N 0.189 118.885 118.700 -0.006 0.000 2.521 149 N HA -0.100 4.638 4.740 -0.003 0.000 0.188 149 N C 0.429 175.967 175.510 0.047 0.000 1.146 149 N CA 0.734 53.797 53.050 0.023 0.000 0.893 149 N CB 0.079 38.567 38.487 0.002 0.000 0.975 149 N HN 0.398 nan 8.380 nan 0.000 0.451 150 E N -0.284 119.940 120.200 0.041 0.000 2.447 150 E HA 0.078 4.426 4.350 -0.003 0.000 0.195 150 E C 0.048 176.651 176.600 0.005 0.000 1.028 150 E CA 0.139 56.551 56.400 0.021 0.000 0.876 150 E CB 0.592 30.288 29.700 -0.007 0.000 0.885 150 E HN 0.368 nan 8.360 nan 0.000 0.500 151 V N -2.682 117.273 119.914 0.068 0.000 3.159 151 V HA 0.719 4.837 4.120 -0.003 0.000 0.308 151 V C -0.323 175.929 176.094 0.263 0.000 1.190 151 V CA -1.502 60.848 62.300 0.084 0.000 1.037 151 V CB 1.401 33.141 31.823 -0.139 0.000 1.060 151 V HN -0.047 nan 8.190 nan 0.000 0.437 152 A N 1.434 124.441 122.820 0.312 0.000 2.445 152 A HA 0.678 4.996 4.320 -0.003 0.000 0.242 152 A C -2.350 175.443 177.584 0.348 0.000 1.075 152 A CA -1.181 51.002 52.037 0.243 0.000 0.777 152 A CB -0.701 18.316 19.000 0.028 0.000 1.013 152 A HN 0.806 nan 8.150 nan 0.000 0.493 153 P HA 0.033 nan 4.420 nan 0.000 0.261 153 P C -0.385 176.845 177.300 -0.118 0.000 1.173 153 P CA 1.147 64.111 63.100 -0.228 0.000 0.760 153 P CB 0.129 31.511 31.700 -0.529 0.000 0.783 154 H N 2.393 121.198 119.070 -0.441 0.000 3.064 154 H HA 0.141 4.695 4.556 -0.003 0.000 0.352 154 H C 0.604 175.295 175.328 -1.063 0.000 1.260 154 H CA -0.611 54.882 56.048 -0.925 0.000 1.160 154 H CB 1.331 30.442 29.762 -1.085 0.000 1.879 154 H HN 0.152 nan 8.280 nan 0.000 0.544 155 I N 2.939 122.687 120.570 -1.370 0.000 2.248 155 I HA -0.255 3.913 4.170 -0.003 0.000 0.248 155 I C 1.603 177.574 176.117 -0.244 0.000 1.107 155 I CA 1.421 62.351 61.300 -0.616 0.000 1.373 155 I CB -0.507 37.230 38.000 -0.439 0.000 1.055 155 I HN 0.452 nan 8.210 nan 0.000 0.418 156 F N 0.999 120.737 119.950 -0.352 0.000 2.126 156 F HA -0.195 4.330 4.527 -0.003 0.000 0.299 156 F C 2.622 177.857 175.800 -0.941 0.000 1.096 156 F CA 1.049 58.408 58.000 -1.068 0.000 1.255 156 F CB -1.918 36.210 39.000 -1.454 0.000 0.997 156 F HN 0.181 nan 8.300 nan 0.000 0.479 157 A N -0.251 122.311 122.820 -0.430 0.000 1.933 157 A HA -0.138 4.180 4.320 -0.003 0.000 0.218 157 A C 2.568 180.146 177.584 -0.009 0.000 1.175 157 A CA 1.673 53.696 52.037 -0.024 0.000 0.628 157 A CB -1.250 17.910 19.000 0.267 0.000 0.814 157 A HN 0.224 nan 8.150 nan 0.000 0.444 158 I N -0.487 120.062 120.570 -0.035 0.000 2.315 158 I HA -0.143 4.025 4.170 -0.003 0.000 0.248 158 I C 2.721 178.776 176.117 -0.103 0.000 1.117 158 I CA 1.963 63.257 61.300 -0.010 0.000 1.404 158 I CB -0.930 37.108 38.000 0.063 0.000 1.071 158 I HN 0.523 nan 8.210 nan 0.000 0.419 159 S N -0.343 115.286 115.700 -0.118 0.000 2.370 159 S HA -0.263 4.205 4.470 -0.003 0.000 0.226 159 S C 1.919 176.535 174.600 0.027 0.000 1.033 159 S CA 1.769 59.932 58.200 -0.061 0.000 1.011 159 S CB -0.615 62.562 63.200 -0.038 0.000 0.852 159 S HN 0.738 nan 8.310 nan 0.000 0.457 160 D N 0.932 121.341 120.400 0.016 0.000 2.117 160 D HA -0.090 4.548 4.640 -0.003 0.000 0.197 160 D C 1.946 178.308 176.300 0.103 0.000 0.987 160 D CA 1.007 55.130 54.000 0.206 0.000 0.829 160 D CB 0.013 40.946 40.800 0.221 0.000 0.961 160 D HN 0.198 nan 8.370 nan 0.000 0.460 161 V N 1.522 121.436 119.914 -0.001 0.000 2.392 161 V HA -0.249 3.869 4.120 -0.003 0.000 0.249 161 V C 2.684 178.683 176.094 -0.157 0.000 1.059 161 V CA 1.807 64.072 62.300 -0.057 0.000 1.051 161 V CB -0.749 31.044 31.823 -0.049 0.000 0.658 161 V HN 0.246 nan 8.190 nan 0.000 0.455 162 A N -1.060 121.567 122.820 -0.323 0.000 1.930 162 A HA -0.250 4.068 4.320 -0.003 0.000 0.217 162 A C 2.158 179.662 177.584 -0.133 0.000 1.175 162 A CA 1.914 53.708 52.037 -0.404 0.000 0.627 162 A CB -0.716 18.005 19.000 -0.465 0.000 0.815 162 A HN 0.622 nan 8.150 nan 0.000 0.443 163 Y N 0.648 120.829 120.300 -0.198 0.000 2.181 163 Y HA -0.164 4.384 4.550 -0.003 0.000 0.288 163 Y C 2.362 178.116 175.900 -0.242 0.000 1.146 163 Y CA 1.871 59.821 58.100 -0.251 0.000 1.164 163 Y CB -0.069 38.274 38.460 -0.195 0.000 0.982 163 Y HN 0.180 nan 8.280 nan 0.000 0.515 164 R N -0.571 119.780 120.500 -0.248 0.000 2.119 164 R HA -0.023 4.315 4.340 -0.003 0.000 0.222 164 R C 2.435 178.579 176.300 -0.260 0.000 1.088 164 R CA 1.079 57.002 56.100 -0.295 0.000 0.984 164 R CB -1.121 29.098 30.300 -0.134 0.000 0.884 164 R HN 0.265 nan 8.270 nan 0.000 0.447 165 S N 1.493 117.085 115.700 -0.179 0.000 2.368 165 S HA -0.111 4.357 4.470 -0.003 0.000 0.225 165 S C 1.846 176.319 174.600 -0.213 0.000 1.030 165 S CA 1.236 59.353 58.200 -0.138 0.000 0.999 165 S CB -0.148 63.041 63.200 -0.019 0.000 0.844 165 S HN 0.286 nan 8.310 nan 0.000 0.459 166 M N 1.177 120.608 119.600 -0.280 0.000 2.065 166 M HA -0.142 4.336 4.480 -0.003 0.000 0.259 166 M C 1.833 177.815 176.300 -0.530 0.000 1.071 166 M CA 1.628 56.695 55.300 -0.388 0.000 1.109 166 M CB -0.422 31.932 32.600 -0.409 0.000 1.313 166 M HN 0.283 nan 8.290 nan 0.000 0.408 167 L N 0.114 120.992 121.223 -0.576 0.000 1.971 167 L HA -0.290 4.048 4.340 -0.003 0.000 0.215 167 L C 2.011 178.670 176.870 -0.351 0.000 1.072 167 L CA 1.667 56.203 54.840 -0.507 0.000 0.758 167 L CB -1.252 40.474 42.059 -0.555 0.000 0.889 167 L HN 0.357 nan 8.230 nan 0.000 0.433 168 D N -0.754 119.477 120.400 -0.281 0.000 2.312 168 D HA -0.111 4.527 4.640 -0.003 0.000 0.211 168 D C 1.233 177.432 176.300 -0.169 0.000 0.964 168 D CA 0.892 54.778 54.000 -0.191 0.000 0.877 168 D CB -0.126 40.585 40.800 -0.148 0.000 0.924 168 D HN 0.348 nan 8.370 nan 0.000 0.515 169 D N -0.368 119.912 120.400 -0.201 0.000 2.441 169 D HA 0.117 4.755 4.640 -0.003 0.000 0.210 169 D C 0.080 176.277 176.300 -0.171 0.000 1.102 169 D CA -0.159 53.748 54.000 -0.155 0.000 0.840 169 D CB 0.434 41.156 40.800 -0.129 0.000 0.990 169 D HN -0.013 nan 8.370 nan 0.000 0.505 170 R N 0.365 120.688 120.500 -0.294 0.000 3.333 170 R HA -0.233 4.105 4.340 -0.003 0.000 0.256 170 R C -0.278 175.907 176.300 -0.192 0.000 1.010 170 R CA 0.407 56.283 56.100 -0.373 0.000 0.680 170 R CB -1.893 28.355 30.300 -0.087 0.000 1.102 170 R HN 0.203 nan 8.270 nan 0.000 0.440 171 Q N 0.596 120.241 119.800 -0.258 0.000 2.289 171 Q HA 0.323 4.661 4.340 -0.003 0.000 0.270 171 Q C -0.984 174.931 176.000 -0.143 0.000 1.038 171 Q CA -0.823 54.916 55.803 -0.106 0.000 0.812 171 Q CB 1.259 29.945 28.738 -0.086 0.000 1.300 171 Q HN 0.164 nan 8.270 nan 0.000 0.427 172 N N 3.049 121.667 118.700 -0.138 0.000 2.508 172 N HA 0.171 4.909 4.740 -0.003 0.000 0.264 172 N C -0.698 174.666 175.510 -0.244 0.000 1.216 172 N CA 0.083 52.918 53.050 -0.359 0.000 0.943 172 N CB 0.764 38.747 38.487 -0.841 0.000 1.113 172 N HN 0.592 nan 8.380 nan 0.000 0.447 173 Q N 0.127 119.807 119.800 -0.201 0.000 2.399 173 Q HA 0.536 4.874 4.340 -0.003 0.000 0.276 173 Q C -0.542 175.525 176.000 0.111 0.000 1.098 173 Q CA -0.762 55.052 55.803 0.017 0.000 0.827 173 Q CB 2.060 30.857 28.738 0.097 0.000 1.386 173 Q HN 0.713 nan 8.270 nan 0.000 0.443 174 S N 0.120 115.931 115.700 0.185 0.000 2.570 174 S HA 0.743 5.211 4.470 -0.003 0.000 0.286 174 S C -0.889 173.822 174.600 0.185 0.000 1.099 174 S CA -0.796 57.547 58.200 0.238 0.000 0.913 174 S CB 1.157 64.537 63.200 0.300 0.000 1.085 174 S HN 0.345 nan 8.310 nan 0.000 0.480 175 L N 1.955 123.274 121.223 0.161 0.000 2.294 175 L HA 0.509 4.847 4.340 -0.003 0.000 0.283 175 L C -0.929 176.004 176.870 0.105 0.000 1.015 175 L CA -0.244 54.664 54.840 0.114 0.000 0.831 175 L CB 1.178 43.299 42.059 0.103 0.000 1.217 175 L HN 0.646 nan 8.230 nan 0.000 0.420 176 L N 5.536 126.783 121.223 0.040 0.000 2.262 176 L HA 0.507 4.845 4.340 -0.003 0.000 0.288 176 L C -0.442 176.537 176.870 0.181 0.000 1.035 176 L CA -0.226 54.673 54.840 0.099 0.000 0.820 176 L CB 0.864 42.946 42.059 0.039 0.000 1.204 176 L HN 0.478 nan 8.230 nan 0.000 0.424 177 I N 3.057 123.719 120.570 0.152 0.000 2.330 177 I HA 0.205 4.373 4.170 -0.003 0.000 0.286 177 I C 0.748 176.933 176.117 0.114 0.000 1.025 177 I CA -0.333 61.048 61.300 0.136 0.000 1.197 177 I CB 1.546 39.607 38.000 0.103 0.000 1.358 177 I HN 0.575 nan 8.210 nan 0.000 0.467 178 T N 2.338 116.955 114.554 0.106 0.000 2.899 178 T HA 0.805 5.153 4.350 -0.003 0.000 0.284 178 T C 0.145 174.873 174.700 0.046 0.000 1.004 178 T CA -0.537 61.599 62.100 0.060 0.000 1.043 178 T CB 1.879 70.743 68.868 -0.006 0.000 1.013 178 T HN 0.910 nan 8.240 nan 0.000 0.518 179 G N 1.350 110.184 108.800 0.057 0.000 2.341 179 G HA2 0.387 4.345 3.960 -0.003 0.000 0.300 179 G HA3 0.387 4.345 3.960 -0.003 0.000 0.300 179 G C -0.833 174.120 174.900 0.089 0.000 1.706 179 G CA -0.584 44.549 45.100 0.054 0.000 0.916 179 G HN 1.072 nan 8.290 nan 0.000 0.716 180 E N 0.396 120.646 120.200 0.082 0.000 2.428 180 E HA 0.452 4.800 4.350 -0.003 0.000 0.257 180 E C 0.719 177.369 176.600 0.083 0.000 1.197 180 E CA -0.004 56.466 56.400 0.118 0.000 0.974 180 E CB 0.702 30.457 29.700 0.091 0.000 0.976 180 E HN 0.594 nan 8.360 nan 0.000 0.463 181 S N 0.173 115.914 115.700 0.069 0.000 2.552 181 S HA 0.282 4.750 4.470 -0.003 0.000 0.289 181 S C 1.139 175.791 174.600 0.086 0.000 1.304 181 S CA 0.632 58.867 58.200 0.060 0.000 1.063 181 S CB -0.461 62.757 63.200 0.030 0.000 0.848 181 S HN 1.073 nan 8.310 nan 0.000 0.499 182 G N 3.164 112.025 108.800 0.103 0.000 2.179 182 G HA2 -0.265 3.693 3.960 -0.003 0.000 0.260 182 G HA3 -0.265 3.693 3.960 -0.003 0.000 0.260 182 G C 0.926 175.873 174.900 0.079 0.000 0.977 182 G CA 0.462 45.656 45.100 0.156 0.000 0.641 182 G HN 1.493 nan 8.290 nan 0.000 0.533 183 A N -0.404 122.432 122.820 0.027 0.000 2.119 183 A HA 0.514 4.832 4.320 -0.003 0.000 0.217 183 A C 2.555 180.080 177.584 -0.099 0.000 1.153 183 A CA 2.302 54.315 52.037 -0.039 0.000 0.692 183 A CB -0.332 18.663 19.000 -0.008 0.000 0.799 183 A HN 2.466 nan 8.150 nan 0.000 0.458 184 G N -1.307 107.451 108.800 -0.070 0.000 2.227 184 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.168 184 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.168 184 G C 0.857 175.745 174.900 -0.019 0.000 1.006 184 G CA 0.424 45.479 45.100 -0.075 0.000 0.684 184 G HN 0.410 nan 8.290 nan 0.000 0.489 185 K N 0.050 120.454 120.400 0.007 0.000 2.044 185 K HA -0.090 4.228 4.320 -0.003 0.000 0.210 185 K C 2.449 179.063 176.600 0.024 0.000 1.049 185 K CA 1.983 58.286 56.287 0.027 0.000 0.927 185 K CB -0.295 32.227 32.500 0.036 0.000 0.713 185 K HN 0.298 nan 8.250 nan 0.000 0.443 186 T N 1.074 115.638 114.554 0.017 0.000 2.857 186 T HA -0.057 4.291 4.350 -0.003 0.000 0.266 186 T C 1.576 176.284 174.700 0.014 0.000 1.048 186 T CA 0.922 63.036 62.100 0.022 0.000 1.139 186 T CB -0.011 68.876 68.868 0.031 0.000 0.874 186 T HN 0.161 nan 8.240 nan 0.000 0.455 187 E N 1.536 121.731 120.200 -0.008 0.000 2.106 187 E HA -0.028 4.320 4.350 -0.003 0.000 0.192 187 E C 2.005 178.565 176.600 -0.068 0.000 0.984 187 E CA 0.995 57.366 56.400 -0.050 0.000 0.806 187 E CB -0.416 29.238 29.700 -0.078 0.000 0.750 187 E HN 0.477 nan 8.360 nan 0.000 0.458 188 N N -0.271 118.413 118.700 -0.026 0.000 2.270 188 N HA -0.070 4.668 4.740 -0.003 0.000 0.181 188 N C 1.704 177.226 175.510 0.020 0.000 1.016 188 N CA 1.412 54.461 53.050 -0.001 0.000 0.870 188 N CB -0.141 38.376 38.487 0.050 0.000 0.979 188 N HN 0.021 nan 8.380 nan 0.000 0.431 189 T N 0.851 115.423 114.554 0.029 0.000 2.665 189 T HA -0.147 4.202 4.350 -0.003 0.000 0.268 189 T C 1.590 176.317 174.700 0.044 0.000 1.035 189 T CA 1.248 63.373 62.100 0.043 0.000 1.151 189 T CB -0.153 68.742 68.868 0.044 0.000 0.862 189 T HN 0.258 nan 8.240 nan 0.000 0.438 190 K N 0.522 120.939 120.400 0.028 0.000 2.097 190 K HA -0.074 4.244 4.320 -0.003 0.000 0.206 190 K C 2.400 179.028 176.600 0.048 0.000 1.049 190 K CA 0.847 57.151 56.287 0.028 0.000 0.933 190 K CB -0.006 32.500 32.500 0.010 0.000 0.717 190 K HN 0.125 nan 8.250 nan 0.000 0.442 191 K N 0.716 121.138 120.400 0.037 0.000 2.057 191 K HA -0.065 4.253 4.320 -0.003 0.000 0.206 191 K C 2.183 178.957 176.600 0.289 0.000 1.050 191 K CA 0.834 57.223 56.287 0.170 0.000 0.935 191 K CB -0.724 31.814 32.500 0.063 0.000 0.715 191 K HN -0.032 nan 8.250 nan 0.000 0.439 192 V N 2.131 122.153 119.914 0.179 0.000 2.332 192 V HA -0.251 3.867 4.120 -0.003 0.000 0.248 192 V C 2.315 178.508 176.094 0.166 0.000 1.055 192 V CA 1.438 63.844 62.300 0.177 0.000 1.038 192 V CB -0.442 31.446 31.823 0.109 0.000 0.651 192 V HN 0.112 nan 8.190 nan 0.000 0.450 193 I N 0.083 120.718 120.570 0.108 0.000 2.142 193 I HA -0.269 3.899 4.170 -0.003 0.000 0.240 193 I C 2.607 178.753 176.117 0.049 0.000 1.078 193 I CA 1.860 63.198 61.300 0.063 0.000 1.343 193 I CB -1.622 36.397 38.000 0.033 0.000 1.046 193 I HN 0.501 nan 8.210 nan 0.000 0.405 194 Q N 0.337 120.180 119.800 0.071 0.000 2.096 194 Q HA -0.314 4.024 4.340 -0.003 0.000 0.208 194 Q C 2.514 178.494 176.000 -0.034 0.000 0.993 194 Q CA 2.334 58.163 55.803 0.042 0.000 0.862 194 Q CB -0.599 28.202 28.738 0.106 0.000 0.915 194 Q HN 0.537 nan 8.270 nan 0.000 0.416 195 Y N 0.660 120.876 120.300 -0.140 0.000 2.200 195 Y HA -0.145 4.403 4.550 -0.003 0.000 0.290 195 Y C 1.980 177.739 175.900 -0.235 0.000 1.137 195 Y CA 1.602 59.506 58.100 -0.326 0.000 1.163 195 Y CB -0.115 38.121 38.460 -0.372 0.000 0.988 195 Y HN 0.118 nan 8.280 nan 0.000 0.518 196 L N -0.709 120.471 121.223 -0.072 0.000 2.093 196 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 196 L C 2.679 179.450 176.870 -0.165 0.000 1.085 196 L CA 1.062 55.838 54.840 -0.106 0.000 0.755 196 L CB -0.844 41.296 42.059 0.135 0.000 0.904 196 L HN 0.317 nan 8.230 nan 0.000 0.435 197 A N -1.143 121.598 122.820 -0.131 0.000 1.969 197 A HA -0.184 4.134 4.320 -0.003 0.000 0.218 197 A C 2.518 180.000 177.584 -0.170 0.000 1.169 197 A CA 1.893 53.858 52.037 -0.118 0.000 0.635 197 A CB -0.404 18.546 19.000 -0.083 0.000 0.810 197 A HN 0.373 nan 8.150 nan 0.000 0.445 198 S N -0.289 115.252 115.700 -0.265 0.000 2.336 198 S HA -0.107 4.361 4.470 -0.003 0.000 0.216 198 S C 2.010 176.395 174.600 -0.358 0.000 1.032 198 S CA 1.655 59.683 58.200 -0.286 0.000 0.973 198 S CB -0.740 62.266 63.200 -0.323 0.000 0.888 198 S HN 0.964 nan 8.310 nan 0.000 0.455 199 V N -0.191 119.378 119.914 -0.575 0.000 3.078 199 V HA 0.377 4.495 4.120 -0.003 0.000 0.265 199 V C 1.592 177.397 176.094 -0.482 0.000 1.122 199 V CA 1.505 63.467 62.300 -0.563 0.000 1.141 199 V CB -0.737 30.633 31.823 -0.756 0.000 0.735 199 V HN 0.541 nan 8.190 nan 0.000 0.498 200 A N -0.102 122.468 122.820 -0.417 0.000 2.508 200 A HA 0.688 5.006 4.320 -0.003 0.000 0.250 200 A C 1.249 178.783 177.584 -0.084 0.000 1.208 200 A CA 0.386 52.248 52.037 -0.290 0.000 0.960 200 A CB -0.341 18.565 19.000 -0.157 0.000 1.099 200 A HN 0.734 nan 8.150 nan 0.000 0.542 201 G N -0.144 108.615 108.800 -0.069 0.000 2.569 201 G HA2 0.478 4.436 3.960 -0.003 0.000 0.249 201 G HA3 0.478 4.436 3.960 -0.003 0.000 0.249 201 G C 0.050 175.045 174.900 0.160 0.000 1.216 201 G CA -0.357 44.765 45.100 0.037 0.000 0.845 201 G HN 0.425 nan 8.290 nan 0.000 0.568 211 L N 1.011 122.212 121.223 -0.038 0.000 2.023 211 L HA 0.068 4.406 4.340 -0.003 0.000 0.205 211 L C 2.237 179.077 176.870 -0.049 0.000 1.073 211 L CA 3.297 58.108 54.840 -0.049 0.000 0.745 211 L CB -0.647 41.381 42.059 -0.051 0.000 0.900 211 L HN 0.572 nan 8.230 nan 0.000 0.435 212 E N -0.210 119.965 120.200 -0.042 0.000 2.136 212 E HA -0.329 4.019 4.350 -0.003 0.000 0.208 212 E C 2.258 178.837 176.600 -0.035 0.000 1.035 212 E CA 2.005 58.380 56.400 -0.042 0.000 0.838 212 E CB -0.409 29.269 29.700 -0.035 0.000 0.748 212 E HN 0.508 nan 8.360 nan 0.000 0.459 213 Q N 0.018 119.802 119.800 -0.027 0.000 2.230 213 Q HA -0.050 4.288 4.340 -0.003 0.000 0.202 213 Q C 1.824 177.813 176.000 -0.019 0.000 0.963 213 Q CA 1.292 57.084 55.803 -0.018 0.000 0.866 213 Q CB 0.111 28.841 28.738 -0.014 0.000 0.931 213 Q HN 0.390 nan 8.270 nan 0.000 0.452 214 Q N -0.751 119.031 119.800 -0.030 0.000 2.137 214 Q HA -0.020 4.318 4.340 -0.003 0.000 0.198 214 Q C 1.940 177.918 176.000 -0.037 0.000 0.960 214 Q CA 0.972 56.754 55.803 -0.035 0.000 0.847 214 Q CB 0.047 28.753 28.738 -0.053 0.000 0.915 214 Q HN 0.414 nan 8.270 nan 0.000 0.448 215 I N 0.448 120.991 120.570 -0.046 0.000 2.151 215 I HA -0.299 3.869 4.170 -0.003 0.000 0.243 215 I C 1.811 177.913 176.117 -0.024 0.000 1.080 215 I CA 0.927 62.198 61.300 -0.048 0.000 1.339 215 I CB -0.230 37.731 38.000 -0.064 0.000 1.039 215 I HN 0.230 nan 8.210 nan 0.000 0.409 216 L N 0.011 121.225 121.223 -0.014 0.000 2.093 216 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 216 L C 2.379 179.258 176.870 0.016 0.000 1.085 216 L CA 1.678 56.520 54.840 0.004 0.000 0.755 216 L CB -1.058 41.003 42.059 0.004 0.000 0.904 216 L HN 0.291 nan 8.230 nan 0.000 0.435 217 Q N -1.135 118.672 119.800 0.011 0.000 2.451 217 Q HA 0.162 4.500 4.340 -0.003 0.000 0.206 217 Q C 2.206 178.224 176.000 0.031 0.000 0.947 217 Q CA 0.796 56.614 55.803 0.024 0.000 0.937 217 Q CB -0.078 28.672 28.738 0.021 0.000 1.025 217 Q HN 0.455 nan 8.270 nan 0.000 0.511 218 A N 0.849 123.680 122.820 0.017 0.000 1.972 218 A HA -0.217 4.101 4.320 -0.003 0.000 0.219 218 A C 1.958 179.568 177.584 0.042 0.000 1.169 218 A CA 1.672 53.716 52.037 0.012 0.000 0.635 218 A CB -0.450 18.540 19.000 -0.016 0.000 0.810 218 A HN 0.344 nan 8.150 nan 0.000 0.446 219 N N -0.177 118.562 118.700 0.065 0.000 2.062 219 N HA -0.072 4.666 4.740 -0.003 0.000 0.191 219 N C -1.024 174.571 175.510 0.142 0.000 1.042 219 N CA 1.783 54.900 53.050 0.111 0.000 0.845 219 N CB -0.512 38.036 38.487 0.101 0.000 1.024 219 N HN 0.279 nan 8.380 nan 0.000 0.424 220 P HA -0.112 nan 4.420 nan 0.000 0.219 220 P C 1.036 178.436 177.300 0.166 0.000 1.146 220 P CA 1.142 64.323 63.100 0.136 0.000 0.808 220 P CB -0.009 31.749 31.700 0.095 0.000 0.779 221 I N -1.095 119.557 120.570 0.137 0.000 2.193 221 I HA -0.171 3.997 4.170 -0.003 0.000 0.240 221 I C 2.604 178.864 176.117 0.238 0.000 1.084 221 I CA 1.035 62.433 61.300 0.164 0.000 1.365 221 I CB -0.702 37.303 38.000 0.008 0.000 1.064 221 I HN -0.169 nan 8.210 nan 0.000 0.410 222 L N 0.439 121.745 121.223 0.138 0.000 2.046 222 L HA -0.218 4.120 4.340 -0.003 0.000 0.208 222 L C 2.532 179.630 176.870 0.381 0.000 1.077 222 L CA 1.562 56.488 54.840 0.143 0.000 0.747 222 L CB -0.591 41.526 42.059 0.096 0.000 0.896 222 L HN 0.300 nan 8.230 nan 0.000 0.432 223 E N -0.014 120.422 120.200 0.393 0.000 2.106 223 E HA -0.200 4.148 4.350 -0.003 0.000 0.192 223 E C 2.296 179.147 176.600 0.420 0.000 0.984 223 E CA 1.050 57.711 56.400 0.435 0.000 0.806 223 E CB -0.113 29.799 29.700 0.352 0.000 0.750 223 E HN 0.496 nan 8.360 nan 0.000 0.458 224 A N 0.507 123.532 122.820 0.342 0.000 1.902 224 A HA -0.155 4.163 4.320 -0.003 0.000 0.217 224 A C 1.731 179.375 177.584 0.100 0.000 1.181 224 A CA 1.250 53.419 52.037 0.220 0.000 0.623 224 A CB -0.497 18.539 19.000 0.061 0.000 0.818 224 A HN 0.186 nan 8.150 nan 0.000 0.443 225 F N -1.108 118.980 119.950 0.230 0.000 2.619 225 F HA 0.243 4.768 4.527 -0.003 0.000 0.293 225 F C 2.250 178.104 175.800 0.090 0.000 1.119 225 F CA 0.731 58.840 58.000 0.182 0.000 1.445 225 F CB 0.156 39.207 39.000 0.085 0.000 1.119 225 F HN 0.283 nan 8.300 nan 0.000 0.573 226 G N -1.189 107.845 108.800 0.388 0.000 3.192 226 G HA2 0.117 4.075 3.960 -0.003 0.000 0.239 226 G HA3 0.117 4.075 3.960 -0.003 0.000 0.239 226 G C -0.091 175.190 174.900 0.635 0.000 1.084 226 G CA -0.067 45.183 45.100 0.250 0.000 0.784 226 G HN 0.078 nan 8.290 nan 0.000 0.540 227 N N -0.000 118.991 118.700 0.484 0.000 2.292 227 N HA 0.803 5.541 4.740 -0.003 0.000 0.303 227 N C -0.558 174.780 175.510 -0.286 0.000 1.140 227 N CA -0.101 53.057 53.050 0.181 0.000 0.788 227 N CB 2.271 40.877 38.487 0.197 0.000 1.361 227 N HN 0.215 nan 8.380 nan 0.000 0.489 228 A N 0.045 122.661 122.820 -0.340 0.000 2.610 228 A HA 0.492 4.810 4.320 -0.003 0.000 0.291 228 A C -1.286 176.227 177.584 -0.119 0.000 1.086 228 A CA -0.794 50.996 52.037 -0.411 0.000 0.677 228 A CB 1.105 19.828 19.000 -0.462 0.000 1.278 228 A HN 0.538 nan 8.150 nan 0.000 0.414 229 K N 1.292 121.675 120.400 -0.028 0.000 2.349 229 K HA 0.422 4.740 4.320 -0.003 0.000 0.288 229 K C 0.226 176.783 176.600 -0.071 0.000 1.058 229 K CA 0.607 56.894 56.287 0.001 0.000 0.953 229 K CB 0.275 32.762 32.500 -0.020 0.000 0.997 229 K HN 0.905 nan 8.250 nan 0.000 0.477 230 T N -0.092 114.446 114.554 -0.026 0.000 2.937 230 T HA 0.136 4.485 4.350 -0.003 0.000 0.283 230 T C 1.324 176.028 174.700 0.008 0.000 1.012 230 T CA -0.321 61.750 62.100 -0.049 0.000 0.997 230 T CB 1.272 70.167 68.868 0.045 0.000 1.136 230 T HN 0.600 nan 8.240 nan 0.000 0.551 231 T N -1.567 113.005 114.554 0.030 0.000 3.098 231 T HA 0.065 4.413 4.350 -0.003 0.000 0.266 231 T C 1.563 176.336 174.700 0.122 0.000 1.145 231 T CA 0.438 62.580 62.100 0.070 0.000 1.092 231 T CB -0.280 68.656 68.868 0.114 0.000 0.908 231 T HN 0.661 nan 8.240 nan 0.000 0.526 232 R N 0.281 120.891 120.500 0.183 0.000 2.279 232 R HA 0.332 4.670 4.340 -0.003 0.000 0.195 232 R C -0.010 176.361 176.300 0.117 0.000 0.905 232 R CA 0.004 56.184 56.100 0.133 0.000 1.044 232 R CB 0.418 30.790 30.300 0.120 0.000 1.056 232 R HN 0.233 nan 8.270 nan 0.000 0.535 233 N N -0.255 118.516 118.700 0.118 0.000 2.537 233 N HA 0.104 4.842 4.740 -0.003 0.000 0.281 233 N C -0.941 174.633 175.510 0.107 0.000 1.097 233 N CA -0.285 52.843 53.050 0.130 0.000 0.964 233 N CB 1.024 39.598 38.487 0.145 0.000 1.588 233 N HN -0.085 nan 8.380 nan 0.000 0.511 234 N N 1.574 120.335 118.700 0.102 0.000 2.364 234 N HA -0.118 4.620 4.740 -0.003 0.000 0.183 234 N C -0.182 175.433 175.510 0.175 0.000 1.022 234 N CA 0.606 53.714 53.050 0.097 0.000 0.883 234 N CB 0.082 38.606 38.487 0.062 0.000 0.965 234 N HN 0.371 nan 8.380 nan 0.000 0.438 235 N N 0.192 119.006 118.700 0.190 0.000 2.644 235 N HA 0.075 4.813 4.740 -0.003 0.000 0.313 235 N C -1.439 174.184 175.510 0.187 0.000 1.863 235 N CA -0.145 53.063 53.050 0.264 0.000 0.918 235 N CB 0.483 39.111 38.487 0.235 0.000 1.320 235 N HN -0.144 nan 8.380 nan 0.000 0.490 236 S N -0.126 115.652 115.700 0.130 0.000 2.510 236 S HA 0.209 4.677 4.470 -0.003 0.000 0.279 236 S C 0.007 174.664 174.600 0.095 0.000 1.284 236 S CA -0.261 57.999 58.200 0.099 0.000 1.059 236 S CB 0.126 63.377 63.200 0.085 0.000 0.901 236 S HN 0.340 nan 8.310 nan 0.000 0.491 237 S N 5.196 120.936 115.700 0.067 0.000 2.465 237 S HA 0.208 4.676 4.470 -0.003 0.000 0.280 237 S C 0.783 175.409 174.600 0.043 0.000 1.232 237 S CA -0.604 57.602 58.200 0.011 0.000 1.066 237 S CB 0.303 63.403 63.200 -0.167 0.000 0.929 237 S HN 0.593 nan 8.310 nan 0.000 0.494 238 R N 2.123 122.739 120.500 0.194 0.000 2.466 238 R HA 0.239 4.577 4.340 -0.003 0.000 0.279 238 R C -0.397 176.076 176.300 0.289 0.000 0.976 238 R CA -0.028 56.209 56.100 0.228 0.000 1.081 238 R CB -0.732 29.737 30.300 0.282 0.000 1.215 238 R HN 0.644 nan 8.270 nan 0.000 0.546 239 F N -2.816 117.185 119.950 0.085 0.000 2.613 239 F HA 0.803 5.328 4.527 -0.003 0.000 0.310 239 F C -0.065 175.836 175.800 0.169 0.000 1.085 239 F CA -1.883 56.170 58.000 0.089 0.000 0.945 239 F CB 0.821 39.815 39.000 -0.009 0.000 1.298 239 F HN -0.102 nan 8.300 nan 0.000 0.455 240 G N 1.386 110.232 108.800 0.078 0.000 2.462 240 G HA2 0.639 4.597 3.960 -0.003 0.000 0.319 240 G HA3 0.639 4.597 3.960 -0.003 0.000 0.319 240 G C -1.699 173.373 174.900 0.286 0.000 1.171 240 G CA -1.054 44.099 45.100 0.088 0.000 0.920 240 G HN 1.036 nan 8.290 nan 0.000 0.499 241 K N -0.487 120.067 120.400 0.256 0.000 2.523 241 K HA 0.538 4.856 4.320 -0.003 0.000 0.257 241 K C -2.213 174.611 176.600 0.373 0.000 0.932 241 K CA -0.944 55.518 56.287 0.293 0.000 0.812 241 K CB 2.209 34.882 32.500 0.288 0.000 1.326 241 K HN 0.303 nan 8.250 nan 0.000 0.433 242 F N 4.161 124.206 119.950 0.158 0.000 2.402 242 F HA 0.468 4.993 4.527 -0.003 0.000 0.355 242 F C -0.821 175.000 175.800 0.035 0.000 1.123 242 F CA -1.394 56.679 58.000 0.122 0.000 1.021 242 F CB 0.893 39.995 39.000 0.169 0.000 1.160 242 F HN 0.414 nan 8.300 nan 0.000 0.451 243 I N 5.670 126.026 120.570 -0.357 0.000 2.339 243 I HA 0.239 4.407 4.170 -0.003 0.000 0.290 243 I C -0.215 175.607 176.117 -0.490 0.000 0.994 243 I CA -0.494 60.626 61.300 -0.300 0.000 1.191 243 I CB 1.386 39.300 38.000 -0.143 0.000 1.343 243 I HN 0.557 nan 8.210 nan 0.000 0.458 244 E N 6.069 126.034 120.200 -0.392 0.000 2.194 244 E HA 0.333 4.681 4.350 -0.003 0.000 0.284 244 E C -0.573 175.933 176.600 -0.156 0.000 1.035 244 E CA -0.605 55.613 56.400 -0.303 0.000 0.836 244 E CB 1.703 31.180 29.700 -0.372 0.000 1.070 244 E HN 0.327 nan 8.360 nan 0.000 0.401 245 I N 3.685 124.221 120.570 -0.057 0.000 2.312 245 I HA 0.097 4.265 4.170 -0.003 0.000 0.291 245 I C 0.248 176.181 176.117 -0.307 0.000 1.031 245 I CA -0.204 60.978 61.300 -0.196 0.000 1.293 245 I CB 0.791 38.699 38.000 -0.154 0.000 1.403 245 I HN 0.412 nan 8.210 nan 0.000 0.484 246 Q N 5.824 125.372 119.800 -0.419 0.000 2.257 246 Q HA 0.550 4.888 4.340 -0.003 0.000 0.255 246 Q C -1.396 174.318 176.000 -0.477 0.000 0.920 246 Q CA -0.259 55.401 55.803 -0.239 0.000 0.927 246 Q CB 1.694 30.368 28.738 -0.107 0.000 1.229 246 Q HN 0.373 nan 8.270 nan 0.000 0.433 247 F N 1.755 121.822 119.950 0.195 0.000 2.520 247 F HA 0.277 4.802 4.527 -0.003 0.000 0.322 247 F C 0.454 176.375 175.800 0.202 0.000 1.103 247 F CA -1.326 56.806 58.000 0.219 0.000 0.926 247 F CB 1.113 40.282 39.000 0.282 0.000 1.154 247 F HN 0.550 nan 8.300 nan 0.000 0.453 248 N N -0.083 118.829 118.700 0.352 0.000 2.288 248 N HA 0.037 4.775 4.740 -0.003 0.000 0.237 248 N C 0.683 176.375 175.510 0.303 0.000 1.311 248 N CA -0.026 53.166 53.050 0.237 0.000 0.909 248 N CB 0.221 38.806 38.487 0.163 0.000 1.167 248 N HN 0.512 nan 8.380 nan 0.000 0.476 249 S N -1.166 114.654 115.700 0.199 0.000 2.419 249 S HA -0.126 4.342 4.470 -0.003 0.000 0.233 249 S C 1.769 176.525 174.600 0.261 0.000 1.016 249 S CA 0.853 59.200 58.200 0.245 0.000 0.974 249 S CB -0.747 62.528 63.200 0.124 0.000 0.786 249 S HN 0.763 nan 8.310 nan 0.000 0.492 250 A N 1.170 124.139 122.820 0.249 0.000 1.897 250 A HA 0.448 4.766 4.320 -0.003 0.000 0.215 250 A C 1.867 179.631 177.584 0.301 0.000 1.181 250 A CA 1.211 53.413 52.037 0.275 0.000 0.620 250 A CB -0.773 18.415 19.000 0.313 0.000 0.821 250 A HN 1.172 nan 8.150 nan 0.000 0.443 251 G N -2.755 106.280 108.800 0.392 0.000 2.148 251 G HA2 -0.042 3.916 3.960 -0.003 0.000 0.120 251 G HA3 -0.042 3.916 3.960 -0.003 0.000 0.120 251 G C -0.139 174.980 174.900 0.365 0.000 1.034 251 G CA -0.358 44.896 45.100 0.257 0.000 0.710 251 G HN 0.255 nan 8.290 nan 0.000 0.495 252 F N 0.538 120.682 119.950 0.322 0.000 2.397 252 F HA 0.590 5.115 4.527 -0.003 0.000 0.331 252 F C 1.411 177.433 175.800 0.369 0.000 1.090 252 F CA -1.144 57.040 58.000 0.306 0.000 1.065 252 F CB 1.335 40.425 39.000 0.151 0.000 1.184 252 F HN -0.048 nan 8.300 nan 0.000 0.499 253 I N 1.830 122.651 120.570 0.417 0.000 2.752 253 I HA -0.085 4.083 4.170 -0.003 0.000 0.286 253 I C 0.996 177.132 176.117 0.032 0.000 1.180 253 I CA 0.314 61.620 61.300 0.010 0.000 1.404 253 I CB -0.252 37.694 38.000 -0.090 0.000 1.389 253 I HN 0.832 nan 8.210 nan 0.000 0.549 254 S N 2.814 118.488 115.700 -0.044 0.000 2.502 254 S HA 0.552 5.020 4.470 -0.003 0.000 0.215 254 S C 0.898 175.450 174.600 -0.081 0.000 1.009 254 S CA 0.257 58.442 58.200 -0.025 0.000 0.908 254 S CB 0.550 63.758 63.200 0.014 0.000 0.801 254 S HN 1.379 nan 8.310 nan 0.000 0.505 255 G N 0.193 108.905 108.800 -0.147 0.000 2.336 255 G HA2 0.596 4.554 3.960 -0.003 0.000 0.286 255 G HA3 0.596 4.554 3.960 -0.003 0.000 0.286 255 G C -1.867 172.919 174.900 -0.190 0.000 1.269 255 G CA -0.191 44.822 45.100 -0.146 0.000 0.873 255 G HN 0.956 nan 8.290 nan 0.000 0.494 256 A N -1.341 121.386 122.820 -0.155 0.000 2.609 256 A HA 0.953 5.271 4.320 -0.003 0.000 0.291 256 A C -0.752 176.747 177.584 -0.142 0.000 1.096 256 A CA 0.267 52.209 52.037 -0.158 0.000 0.684 256 A CB 1.536 20.447 19.000 -0.149 0.000 1.282 256 A HN 1.965 nan 8.150 nan 0.000 0.412 257 S N -0.095 115.515 115.700 -0.151 0.000 2.572 257 S HA 0.669 5.137 4.470 -0.003 0.000 0.274 257 S C -1.466 173.049 174.600 -0.142 0.000 1.150 257 S CA -0.382 57.731 58.200 -0.145 0.000 0.944 257 S CB 0.553 63.663 63.200 -0.150 0.000 1.071 257 S HN 0.576 nan 8.310 nan 0.000 0.479 258 I N 3.736 124.232 120.570 -0.123 0.000 2.355 258 I HA 0.391 4.559 4.170 -0.003 0.000 0.288 258 I C -0.265 175.790 176.117 -0.103 0.000 0.999 258 I CA -0.602 60.642 61.300 -0.094 0.000 1.163 258 I CB 1.794 39.748 38.000 -0.077 0.000 1.316 258 I HN 0.492 nan 8.210 nan 0.000 0.454 259 Q N 5.687 125.435 119.800 -0.087 0.000 2.303 259 Q HA 0.407 4.745 4.340 -0.003 0.000 0.257 259 Q C -0.535 175.265 176.000 -0.333 0.000 0.941 259 Q CA -0.407 55.275 55.803 -0.202 0.000 0.931 259 Q CB 1.271 29.919 28.738 -0.149 0.000 1.215 259 Q HN 0.731 nan 8.270 nan 0.000 0.437 260 S N 3.092 118.610 115.700 -0.302 0.000 2.593 260 S HA 0.698 5.166 4.470 -0.003 0.000 0.297 260 S C -0.862 173.548 174.600 -0.317 0.000 1.112 260 S CA -0.571 57.561 58.200 -0.112 0.000 1.043 260 S CB 0.784 64.106 63.200 0.202 0.000 1.054 260 S HN 0.512 nan 8.310 nan 0.000 0.516 261 Y N 0.254 120.719 120.300 0.276 0.000 2.650 261 Y HA 0.500 5.048 4.550 -0.003 0.000 0.331 261 Y C 0.266 176.289 175.900 0.205 0.000 1.082 261 Y CA -1.543 56.664 58.100 0.178 0.000 1.171 261 Y CB 0.623 39.152 38.460 0.115 0.000 1.326 261 Y HN 0.592 nan 8.280 nan 0.000 0.513 262 L N 2.592 124.022 121.223 0.347 0.000 2.628 262 L HA -0.078 4.260 4.340 -0.003 0.000 0.274 262 L C -0.162 176.826 176.870 0.197 0.000 1.209 262 L CA 0.125 55.104 54.840 0.231 0.000 0.930 262 L CB -0.268 41.921 42.059 0.215 0.000 1.183 262 L HN 0.354 nan 8.230 nan 0.000 0.492 263 L N 4.489 125.784 121.223 0.119 0.000 2.426 263 L HA 0.064 4.402 4.340 -0.003 0.000 0.271 263 L C 0.802 177.731 176.870 0.098 0.000 1.169 263 L CA 0.343 55.209 54.840 0.043 0.000 0.836 263 L CB 0.638 42.564 42.059 -0.223 0.000 1.112 263 L HN 0.579 nan 8.230 nan 0.000 0.465 264 E N 3.895 124.187 120.200 0.154 0.000 1.842 264 E HA -0.017 4.331 4.350 -0.003 0.000 0.278 264 E C 0.406 177.120 176.600 0.190 0.000 1.171 264 E CA 0.028 56.519 56.400 0.152 0.000 1.127 264 E CB 0.190 29.974 29.700 0.140 0.000 1.100 264 E HN 0.676 nan 8.360 nan 0.000 0.456 265 K N 0.711 121.193 120.400 0.136 0.000 2.209 265 K HA -0.138 4.180 4.320 -0.003 0.000 0.204 265 K C 2.120 178.771 176.600 0.085 0.000 1.048 265 K CA 1.355 57.718 56.287 0.127 0.000 0.940 265 K CB 0.041 32.599 32.500 0.097 0.000 0.729 265 K HN 0.407 nan 8.250 nan 0.000 0.451 266 S N 1.401 117.146 115.700 0.075 0.000 2.402 266 S HA -0.254 4.214 4.470 -0.003 0.000 0.233 266 S C 1.993 176.607 174.600 0.023 0.000 1.030 266 S CA 1.316 59.548 58.200 0.053 0.000 1.003 266 S CB -0.368 62.880 63.200 0.080 0.000 0.813 266 S HN 0.314 nan 8.310 nan 0.000 0.477 267 R N 1.004 121.505 120.500 0.002 0.000 2.159 267 R HA -0.047 4.291 4.340 -0.003 0.000 0.237 267 R C 1.893 178.059 176.300 -0.223 0.000 1.131 267 R CA 1.358 57.373 56.100 -0.142 0.000 0.982 267 R CB -0.603 29.497 30.300 -0.335 0.000 0.868 267 R HN 0.404 nan 8.270 nan 0.000 0.453 268 V N 0.538 120.348 119.914 -0.172 0.000 2.392 268 V HA -0.226 3.892 4.120 -0.003 0.000 0.249 268 V C 2.150 177.811 176.094 -0.722 0.000 1.059 268 V CA 1.875 63.939 62.300 -0.394 0.000 1.051 268 V CB -0.015 31.599 31.823 -0.348 0.000 0.658 268 V HN 0.512 nan 8.190 nan 0.000 0.455 269 V N -4.996 114.570 119.914 -0.579 0.000 3.621 269 V HA 0.409 4.527 4.120 -0.003 0.000 0.263 269 V C 0.259 176.255 176.094 -0.163 0.000 1.272 269 V CA 0.089 61.943 62.300 -0.743 0.000 1.080 269 V CB 0.324 31.909 31.823 -0.396 0.000 0.816 269 V HN 0.286 nan 8.190 nan 0.000 0.451 270 F N 1.749 121.562 119.950 -0.227 0.000 2.574 270 F HA 0.813 5.338 4.527 -0.003 0.000 0.313 270 F C -1.450 174.268 175.800 -0.137 0.000 1.130 270 F CA -0.741 57.189 58.000 -0.117 0.000 0.936 270 F CB 2.143 41.103 39.000 -0.066 0.000 1.219 270 F HN 0.082 nan 8.300 nan 0.000 0.445 271 Q N 3.137 122.264 119.800 -1.122 0.000 2.331 271 Q HA 0.499 4.837 4.340 -0.003 0.000 0.272 271 Q C -0.557 174.725 176.000 -1.197 0.000 1.062 271 Q CA -0.940 54.278 55.803 -0.975 0.000 0.806 271 Q CB 2.055 30.502 28.738 -0.484 0.000 1.312 271 Q HN 0.593 nan 8.270 nan 0.000 0.431 272 S N 1.200 116.404 115.700 -0.827 0.000 2.569 272 S HA -0.033 4.435 4.470 -0.003 0.000 0.274 272 S C 0.086 174.506 174.600 -0.299 0.000 1.353 272 S CA -0.386 57.555 58.200 -0.431 0.000 1.023 272 S CB 0.311 63.356 63.200 -0.258 0.000 0.876 272 S HN 0.610 nan 8.310 nan 0.000 0.540 273 E N 0.743 120.842 120.200 -0.168 0.000 2.608 273 E HA -0.068 4.280 4.350 -0.003 0.000 0.259 273 E C 1.085 177.613 176.600 -0.119 0.000 0.951 273 E CA 1.133 57.463 56.400 -0.116 0.000 0.945 273 E CB 0.127 29.793 29.700 -0.058 0.000 0.916 273 E HN 0.959 nan 8.360 nan 0.000 0.477 274 T N 0.120 114.607 114.554 -0.111 0.000 8.650 274 T HA -0.287 4.061 4.350 -0.003 0.000 0.321 274 T C 0.190 174.812 174.700 -0.129 0.000 2.013 274 T CA 1.593 63.631 62.100 -0.103 0.000 3.192 274 T CB -1.462 67.360 68.868 -0.077 0.000 2.061 274 T HN 0.635 nan 8.240 nan 0.000 1.035 275 E N 1.299 121.396 120.200 -0.171 0.000 2.405 275 E HA 0.610 4.958 4.350 -0.003 0.000 0.253 275 E C 0.540 177.031 176.600 -0.182 0.000 1.257 275 E CA -0.821 55.465 56.400 -0.190 0.000 0.960 275 E CB 0.545 30.089 29.700 -0.260 0.000 1.077 275 E HN 0.426 nan 8.360 nan 0.000 0.512 276 R N 0.651 121.047 120.500 -0.174 0.000 2.892 276 R HA 0.294 4.632 4.340 -0.003 0.000 0.265 276 R C 0.080 176.335 176.300 -0.075 0.000 1.025 276 R CA -0.940 55.090 56.100 -0.118 0.000 0.982 276 R CB 1.110 31.275 30.300 -0.224 0.000 1.185 276 R HN 0.444 nan 8.270 nan 0.000 0.484 277 N N 0.384 119.165 118.700 0.135 0.000 2.285 277 N HA 0.014 4.752 4.740 -0.003 0.000 0.262 277 N C -0.589 174.981 175.510 0.100 0.000 1.299 277 N CA 0.242 53.272 53.050 -0.033 0.000 0.930 277 N CB 0.197 38.580 38.487 -0.174 0.000 1.157 277 N HN 0.233 nan 8.380 nan 0.000 0.532 278 Y N 1.207 121.641 120.300 0.225 0.000 2.702 278 Y HA -0.075 4.473 4.550 -0.003 0.000 0.336 278 Y C 1.993 178.102 175.900 0.349 0.000 1.235 278 Y CA 0.232 58.454 58.100 0.204 0.000 1.492 278 Y CB 0.180 38.772 38.460 0.219 0.000 1.308 278 Y HN 0.521 nan 8.280 nan 0.000 0.589 279 H N 1.691 121.004 119.070 0.404 0.000 2.321 279 H HA -0.222 4.332 4.556 -0.003 0.000 0.295 279 H C 2.226 177.679 175.328 0.209 0.000 1.102 279 H CA 2.189 58.432 56.048 0.324 0.000 1.266 279 H CB -0.316 29.567 29.762 0.202 0.000 1.363 279 H HN 0.756 nan 8.280 nan 0.000 0.492 280 I N 0.538 121.173 120.570 0.108 0.000 2.236 280 I HA -0.288 3.880 4.170 -0.003 0.000 0.249 280 I C 1.911 177.866 176.117 -0.270 0.000 1.102 280 I CA 1.122 62.274 61.300 -0.247 0.000 1.365 280 I CB -0.504 37.006 38.000 -0.816 0.000 1.051 280 I HN -0.005 nan 8.210 nan 0.000 0.420 281 F N -0.762 119.107 119.950 -0.134 0.000 2.171 281 F HA -0.241 4.284 4.527 -0.003 0.000 0.300 281 F C 2.140 177.677 175.800 -0.437 0.000 1.090 281 F CA 1.705 59.501 58.000 -0.340 0.000 1.293 281 F CB -1.058 37.639 39.000 -0.504 0.000 1.013 281 F HN 0.107 nan 8.300 nan 0.000 0.486 282 Y N -0.369 120.008 120.300 0.128 0.000 2.337 282 Y HA -0.140 4.408 4.550 -0.003 0.000 0.293 282 Y C 2.413 178.270 175.900 -0.072 0.000 1.123 282 Y CA 0.872 58.997 58.100 0.042 0.000 1.201 282 Y CB -0.842 37.659 38.460 0.069 0.000 1.011 282 Y HN 0.072 nan 8.280 nan 0.000 0.545 283 Q N -0.329 119.474 119.800 0.004 0.000 2.079 283 Q HA -0.172 4.166 4.340 -0.003 0.000 0.200 283 Q C 2.191 177.755 176.000 -0.726 0.000 0.974 283 Q CA 1.418 57.135 55.803 -0.145 0.000 0.840 283 Q CB -0.339 28.431 28.738 0.055 0.000 0.898 283 Q HN 0.410 nan 8.270 nan 0.000 0.430 284 L N 0.821 121.517 121.223 -0.879 0.000 1.994 284 L HA -0.181 4.157 4.340 -0.003 0.000 0.208 284 L C 1.986 178.452 176.870 -0.674 0.000 1.071 284 L CA 1.667 55.780 54.840 -1.211 0.000 0.745 284 L CB -0.514 41.131 42.059 -0.690 0.000 0.892 284 L HN 0.204 nan 8.230 nan 0.000 0.431 285 L N -0.817 120.198 121.223 -0.347 0.000 2.079 285 L HA -0.197 4.141 4.340 -0.003 0.000 0.210 285 L C 2.568 179.358 176.870 -0.133 0.000 1.081 285 L CA 1.236 55.983 54.840 -0.156 0.000 0.752 285 L CB -1.025 41.020 42.059 -0.022 0.000 0.896 285 L HN 0.423 nan 8.230 nan 0.000 0.433 286 A N -0.151 122.577 122.820 -0.154 0.000 1.878 286 A HA 0.055 4.373 4.320 -0.003 0.000 0.213 286 A C 2.135 179.666 177.584 -0.088 0.000 1.192 286 A CA 1.345 53.335 52.037 -0.078 0.000 0.619 286 A CB -0.661 18.324 19.000 -0.024 0.000 0.837 286 A HN 0.401 nan 8.150 nan 0.000 0.446 287 G N -1.026 107.665 108.800 -0.181 0.000 3.277 287 G HA2 0.466 4.424 3.960 -0.003 0.000 0.243 287 G HA3 0.466 4.424 3.960 -0.003 0.000 0.243 287 G C 0.459 175.399 174.900 0.067 0.000 1.107 287 G CA 0.605 45.718 45.100 0.023 0.000 0.771 287 G HN 0.698 nan 8.290 nan 0.000 0.544 288 A N 1.207 123.929 122.820 -0.164 0.000 2.425 288 A HA 0.563 4.881 4.320 -0.003 0.000 0.249 288 A C 1.188 178.787 177.584 0.026 0.000 1.084 288 A CA 0.268 52.278 52.037 -0.045 0.000 0.781 288 A CB 0.029 18.945 19.000 -0.141 0.000 1.019 288 A HN 0.529 nan 8.150 nan 0.000 0.490 289 T N -0.312 114.282 114.554 0.066 0.000 2.616 289 T HA 0.330 4.678 4.350 -0.003 0.000 0.327 289 T C 1.395 176.116 174.700 0.035 0.000 1.049 289 T CA 0.157 62.289 62.100 0.053 0.000 1.022 289 T CB 0.332 69.238 68.868 0.064 0.000 1.009 289 T HN 1.221 nan 8.240 nan 0.000 0.535 290 A N 0.129 122.967 122.820 0.030 0.000 1.968 290 A HA 0.247 4.565 4.320 -0.003 0.000 0.217 290 A C 2.522 180.121 177.584 0.025 0.000 1.169 290 A CA 1.437 53.487 52.037 0.022 0.000 0.638 290 A CB -1.527 nan 19.000 nan 0.000 0.812 290 A HN 1.081 nan 8.150 nan 0.000 0.446 291 E N -0.878 119.342 120.200 0.034 0.000 2.250 291 E HA 0.120 4.468 4.350 -0.003 0.000 0.192 291 E C 1.882 178.516 176.600 0.057 0.000 0.986 291 E CA 1.576 58.000 56.400 0.040 0.000 0.849 291 E CB -1.156 nan 29.700 nan 0.000 0.797 291 E HN 0.843 nan 8.360 nan 0.000 0.482 292 E N 2.090 122.328 120.200 0.065 0.000 2.023 292 E HA -0.256 4.093 4.350 -0.003 0.000 0.196 292 E C 2.140 178.782 176.600 0.071 0.000 1.003 292 E CA 1.639 58.086 56.400 0.079 0.000 0.809 292 E CB -0.756 nan 29.700 nan 0.000 0.755 292 E HN 0.568 nan 8.360 nan 0.000 0.449 293 K N -0.225 120.204 120.400 0.048 0.000 2.280 293 K HA -0.083 4.236 4.320 -0.003 0.000 0.202 293 K C 2.715 179.352 176.600 0.062 0.000 1.047 293 K CA 1.624 57.943 56.287 0.052 0.000 0.942 293 K CB -0.119 32.400 32.500 0.031 0.000 0.739 293 K HN 0.409 nan 8.250 nan 0.000 0.457 294 K N 0.859 121.282 120.400 0.039 0.000 2.128 294 K HA 0.196 4.514 4.320 -0.003 0.000 0.202 294 K C 2.144 178.764 176.600 0.033 0.000 1.050 294 K CA 0.854 57.136 56.287 -0.009 0.000 0.966 294 K CB -0.739 nan 32.500 nan 0.000 0.759 294 K HN 0.179 nan 8.250 nan 0.000 0.454 295 A N 0.798 123.674 122.820 0.093 0.000 1.972 295 A HA 0.081 4.399 4.320 -0.003 0.000 0.219 295 A C 2.218 179.951 177.584 0.247 0.000 1.169 295 A CA 1.506 53.632 52.037 0.148 0.000 0.635 295 A CB -0.278 18.785 19.000 0.104 0.000 0.810 295 A HN 0.396 nan 8.150 nan 0.000 0.446 296 L N -2.282 119.079 121.223 0.230 0.000 2.585 296 L HA 0.147 4.485 4.340 -0.003 0.000 0.226 296 L C 0.180 177.300 176.870 0.417 0.000 1.113 296 L CA 0.111 55.095 54.840 0.239 0.000 0.876 296 L CB -0.399 41.754 42.059 0.155 0.000 1.072 296 L HN 0.581 nan 8.230 nan 0.000 0.468 297 H N -0.659 118.497 119.070 0.144 0.000 2.886 297 H HA -0.122 4.432 4.556 -0.003 0.000 0.294 297 H C 0.201 175.731 175.328 0.337 0.000 1.246 297 H CA -0.211 55.949 56.048 0.186 0.000 1.142 297 H CB -1.762 28.038 29.762 0.063 0.000 1.358 297 H HN 0.275 nan 8.280 nan 0.000 0.406 298 L N -0.250 121.170 121.223 0.328 0.000 2.468 298 L HA 0.636 4.974 4.340 -0.003 0.000 0.254 298 L C 0.982 177.992 176.870 0.234 0.000 1.171 298 L CA 0.375 55.407 54.840 0.319 0.000 0.809 298 L CB 1.183 43.339 42.059 0.160 0.000 1.155 298 L HN 0.346 nan 8.230 nan 0.000 0.473 299 A N 0.020 122.986 122.820 0.244 0.000 3.865 299 A HA 0.750 5.068 4.320 -0.003 0.000 0.284 299 A C -0.457 177.176 177.584 0.081 0.000 1.105 299 A CA 0.066 52.132 52.037 0.049 0.000 0.605 299 A CB 0.239 19.159 19.000 -0.134 0.000 1.594 299 A HN 0.679 nan 8.150 nan 0.000 0.741 300 G N -0.670 108.114 108.800 -0.027 0.000 2.451 300 G HA2 0.514 4.472 3.960 -0.003 0.000 0.303 300 G HA3 0.514 4.472 3.960 -0.003 0.000 0.303 300 G C -1.502 173.430 174.900 0.054 0.000 1.166 300 G CA -0.961 44.155 45.100 0.027 0.000 0.884 300 G HN 0.339 nan 8.290 nan 0.000 0.514 301 P HA -0.162 nan 4.420 nan 0.000 0.217 301 P C 1.673 179.034 177.300 0.102 0.000 1.151 301 P CA 2.213 65.434 63.100 0.203 0.000 0.849 301 P CB 0.083 31.923 31.700 0.233 0.000 0.787 302 E N -0.032 120.178 120.200 0.016 0.000 2.338 302 E HA -0.105 4.243 4.350 -0.003 0.000 0.197 302 E C 2.057 178.585 176.600 -0.121 0.000 1.007 302 E CA 1.329 57.710 56.400 -0.031 0.000 0.849 302 E CB -1.420 28.261 29.700 -0.031 0.000 0.774 302 E HN 0.243 nan 8.360 nan 0.000 0.506 303 S N -0.770 114.769 115.700 -0.270 0.000 2.489 303 S HA 0.223 4.691 4.470 -0.003 0.000 0.228 303 S C -0.213 174.003 174.600 -0.640 0.000 0.995 303 S CA -0.003 57.886 58.200 -0.519 0.000 0.934 303 S CB -0.124 62.578 63.200 -0.829 0.000 0.771 303 S HN 0.476 nan 8.310 nan 0.000 0.522 304 F N 2.241 122.145 119.950 -0.077 0.000 2.388 304 F HA 0.453 4.978 4.527 -0.003 0.000 0.358 304 F C 1.079 176.815 175.800 -0.107 0.000 1.122 304 F CA -1.604 56.323 58.000 -0.121 0.000 1.056 304 F CB 0.570 39.482 39.000 -0.147 0.000 1.155 304 F HN -0.132 nan 8.300 nan 0.000 0.461 305 N N 1.597 120.312 118.700 0.024 0.000 2.184 305 N HA -0.258 4.480 4.740 -0.003 0.000 0.190 305 N C 1.399 176.969 175.510 0.101 0.000 1.011 305 N CA 1.559 54.610 53.050 0.002 0.000 0.867 305 N CB -0.210 38.234 38.487 -0.071 0.000 0.993 305 N HN 0.525 nan 8.380 nan 0.000 0.433 306 Y N 0.338 120.623 120.300 -0.025 0.000 2.583 306 Y HA 0.156 4.704 4.550 -0.003 0.000 0.293 306 Y C 1.886 177.669 175.900 -0.195 0.000 1.157 306 Y CA 0.175 58.184 58.100 -0.152 0.000 1.315 306 Y CB -0.128 38.157 38.460 -0.291 0.000 1.021 306 Y HN 0.037 nan 8.280 nan 0.000 0.536 307 L N -0.568 120.691 121.223 0.059 0.000 2.920 307 L HA 0.146 4.484 4.340 -0.003 0.000 0.257 307 L C 0.675 177.605 176.870 0.100 0.000 1.150 307 L CA 0.262 55.138 54.840 0.060 0.000 0.959 307 L CB 0.129 42.217 42.059 0.048 0.000 1.321 307 L HN 0.092 nan 8.230 nan 0.000 0.555 308 N N -0.683 118.054 118.700 0.062 0.000 2.282 308 N HA -0.026 4.712 4.740 -0.003 0.000 0.240 308 N C 0.944 176.462 175.510 0.012 0.000 1.182 308 N CA -0.267 52.805 53.050 0.036 0.000 0.874 308 N CB 0.181 38.679 38.487 0.018 0.000 1.126 308 N HN 0.433 nan 8.380 nan 0.000 0.516 309 Q N -1.033 118.765 119.800 -0.002 0.000 2.423 309 Q HA 0.153 4.491 4.340 -0.003 0.000 0.231 309 Q C 1.150 177.114 176.000 -0.061 0.000 0.894 309 Q CA 0.763 56.555 55.803 -0.018 0.000 0.938 309 Q CB -0.094 28.644 28.738 -0.001 0.000 1.079 309 Q HN 0.274 nan 8.270 nan 0.000 0.552 310 S N -0.013 115.631 115.700 -0.093 0.000 2.470 310 S HA 0.277 4.745 4.470 -0.003 0.000 0.225 310 S C 1.645 176.196 174.600 -0.083 0.000 1.006 310 S CA 0.574 58.698 58.200 -0.127 0.000 0.934 310 S CB 0.153 63.252 63.200 -0.167 0.000 0.778 310 S HN 0.726 nan 8.310 nan 0.000 0.517 311 G N 0.111 108.880 108.800 -0.053 0.000 2.175 311 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.244 311 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.244 311 G C 0.126 174.995 174.900 -0.051 0.000 0.982 311 G CA -0.027 45.047 45.100 -0.043 0.000 0.641 311 G HN 1.068 nan 8.290 nan 0.000 0.527 312 C N 1.204 120.463 119.300 -0.069 0.000 2.340 312 C HA 0.729 5.187 4.460 -0.003 0.000 0.323 312 C C 1.613 176.530 174.990 -0.123 0.000 1.260 312 C CA 0.160 59.120 59.018 -0.097 0.000 1.464 312 C CB 0.833 28.500 27.740 -0.121 0.000 2.156 312 C HN 1.211 nan 8.230 nan 0.000 0.476 313 V N 1.263 121.106 119.914 -0.119 0.000 3.477 313 V HA 0.464 4.582 4.120 -0.003 0.000 0.297 313 V C -0.007 175.926 176.094 -0.269 0.000 1.433 313 V CA 0.570 62.780 62.300 -0.150 0.000 1.052 313 V CB -0.098 31.763 31.823 0.064 0.000 0.895 313 V HN 0.779 nan 8.190 nan 0.000 0.438 314 D N 0.685 120.960 120.400 -0.209 0.000 2.738 314 D HA 0.618 5.256 4.640 -0.003 0.000 0.237 314 D C -0.987 175.223 176.300 -0.150 0.000 1.123 314 D CA -0.195 53.712 54.000 -0.154 0.000 0.856 314 D CB 2.965 43.716 40.800 -0.082 0.000 1.552 314 D HN 0.187 nan 8.370 nan 0.000 0.480 315 I N 1.301 121.795 120.570 -0.128 0.000 2.378 315 I HA 0.256 4.424 4.170 -0.003 0.000 0.291 315 I C 0.841 176.918 176.117 -0.066 0.000 0.992 315 I CA -0.902 60.340 61.300 -0.096 0.000 1.154 315 I CB 1.409 39.354 38.000 -0.092 0.000 1.315 315 I HN 0.240 nan 8.210 nan 0.000 0.448 316 K N 4.240 124.607 120.400 -0.054 0.000 2.453 316 K HA 0.390 4.708 4.320 -0.003 0.000 0.280 316 K C 1.050 177.631 176.600 -0.031 0.000 1.045 316 K CA 0.452 56.715 56.287 -0.041 0.000 1.059 316 K CB -0.427 32.050 32.500 -0.039 0.000 0.901 316 K HN 1.162 nan 8.250 nan 0.000 0.475 317 G N -0.009 108.775 108.800 -0.025 0.000 2.157 317 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.239 317 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.239 317 G C 0.015 174.904 174.900 -0.019 0.000 0.982 317 G CA 0.113 45.204 45.100 -0.016 0.000 0.650 317 G HN 1.402 nan 8.290 nan 0.000 0.527 318 V N 0.797 120.691 119.914 -0.032 0.000 2.487 318 V HA 0.729 4.847 4.120 -0.003 0.000 0.298 318 V C 0.339 176.413 176.094 -0.033 0.000 1.028 318 V CA -0.077 62.197 62.300 -0.042 0.000 0.860 318 V CB 1.831 33.606 31.823 -0.080 0.000 0.991 318 V HN 0.507 nan 8.190 nan 0.000 0.427 319 S N 2.857 118.547 115.700 -0.017 0.000 2.404 319 S HA 0.212 4.680 4.470 -0.003 0.000 0.309 319 S C 0.793 175.398 174.600 0.008 0.000 1.076 319 S CA -0.633 57.566 58.200 -0.002 0.000 1.095 319 S CB 0.505 63.710 63.200 0.008 0.000 0.972 319 S HN 0.752 nan 8.310 nan 0.000 0.484 320 D N 3.116 123.525 120.400 0.015 0.000 2.117 320 D HA -0.114 4.524 4.640 -0.003 0.000 0.198 320 D C 2.187 178.528 176.300 0.068 0.000 0.982 320 D CA 1.645 55.669 54.000 0.041 0.000 0.828 320 D CB -0.264 40.575 40.800 0.066 0.000 0.967 320 D HN 0.732 nan 8.370 nan 0.000 0.464 321 S N 0.950 116.682 115.700 0.054 0.000 2.370 321 S HA -0.180 4.288 4.470 -0.003 0.000 0.226 321 S C 1.737 176.404 174.600 0.112 0.000 1.033 321 S CA 0.933 59.183 58.200 0.082 0.000 1.011 321 S CB -0.219 63.012 63.200 0.051 0.000 0.852 321 S HN 0.149 nan 8.310 nan 0.000 0.457 322 E N 1.144 121.386 120.200 0.070 0.000 2.107 322 E HA -0.021 4.327 4.350 -0.003 0.000 0.191 322 E C 2.251 178.887 176.600 0.061 0.000 0.982 322 E CA 0.775 57.209 56.400 0.056 0.000 0.809 322 E CB -0.311 29.409 29.700 0.033 0.000 0.756 322 E HN 0.594 nan 8.360 nan 0.000 0.459 323 E N 0.506 120.745 120.200 0.066 0.000 2.077 323 E HA -0.157 4.191 4.350 -0.003 0.000 0.193 323 E C 1.905 178.580 176.600 0.125 0.000 0.989 323 E CA 0.410 56.852 56.400 0.071 0.000 0.800 323 E CB -0.496 29.230 29.700 0.043 0.000 0.746 323 E HN 0.185 nan 8.360 nan 0.000 0.452 324 F N 2.199 122.131 119.950 -0.029 0.000 2.087 324 F HA -0.269 4.256 4.527 -0.003 0.000 0.299 324 F C 2.108 177.890 175.800 -0.029 0.000 1.100 324 F CA 1.730 59.696 58.000 -0.057 0.000 1.226 324 F CB -0.215 38.723 39.000 -0.105 0.000 0.983 324 F HN -0.067 nan 8.300 nan 0.000 0.479 325 K N 0.099 120.481 120.400 -0.029 0.000 2.044 325 K HA -0.198 4.120 4.320 -0.003 0.000 0.210 325 K C 2.098 178.651 176.600 -0.078 0.000 1.049 325 K CA 2.173 58.403 56.287 -0.095 0.000 0.927 325 K CB -0.483 32.007 32.500 -0.017 0.000 0.713 325 K HN 0.314 nan 8.250 nan 0.000 0.443 326 I N 0.912 121.468 120.570 -0.022 0.000 2.361 326 I HA -0.271 3.897 4.170 -0.003 0.000 0.251 326 I C 1.982 178.096 176.117 -0.003 0.000 1.133 326 I CA 1.181 62.480 61.300 -0.002 0.000 1.413 326 I CB -0.369 37.647 38.000 0.025 0.000 1.073 326 I HN 0.239 nan 8.210 nan 0.000 0.424 327 T N 0.285 114.827 114.554 -0.020 0.000 2.770 327 T HA -0.066 4.282 4.350 -0.003 0.000 0.263 327 T C 1.998 176.680 174.700 -0.030 0.000 1.039 327 T CA 0.829 62.937 62.100 0.013 0.000 1.142 327 T CB -0.167 68.751 68.868 0.083 0.000 0.868 327 T HN 0.286 nan 8.240 nan 0.000 0.435 328 R N 1.319 121.719 120.500 -0.168 0.000 2.105 328 R HA -0.113 4.225 4.340 -0.003 0.000 0.239 328 R C 2.591 178.863 176.300 -0.046 0.000 1.135 328 R CA 1.361 57.383 56.100 -0.130 0.000 0.967 328 R CB -0.417 29.719 30.300 -0.274 0.000 0.861 328 R HN 0.552 nan 8.270 nan 0.000 0.442 329 Q N 0.235 120.009 119.800 -0.044 0.000 2.050 329 Q HA -0.095 4.243 4.340 -0.003 0.000 0.202 329 Q C 2.238 178.246 176.000 0.013 0.000 0.980 329 Q CA 1.720 57.517 55.803 -0.010 0.000 0.840 329 Q CB -0.165 28.568 28.738 -0.008 0.000 0.898 329 Q HN 0.387 nan 8.270 nan 0.000 0.424 330 A N 0.382 123.214 122.820 0.020 0.000 1.930 330 A HA -0.150 4.168 4.320 -0.003 0.000 0.217 330 A C 2.024 179.647 177.584 0.065 0.000 1.175 330 A CA 1.154 53.214 52.037 0.039 0.000 0.627 330 A CB -0.416 18.611 19.000 0.045 0.000 0.815 330 A HN 0.288 nan 8.150 nan 0.000 0.443 331 M N -0.380 119.256 119.600 0.059 0.000 2.117 331 M HA -0.160 4.318 4.480 -0.003 0.000 0.262 331 M C 1.525 177.926 176.300 0.168 0.000 1.065 331 M CA 1.627 56.996 55.300 0.115 0.000 1.114 331 M CB -0.466 32.126 32.600 -0.014 0.000 1.361 331 M HN 0.354 nan 8.290 nan 0.000 0.408 332 D N 0.607 121.059 120.400 0.086 0.000 2.104 332 D HA -0.152 4.486 4.640 -0.003 0.000 0.194 332 D C 1.892 178.219 176.300 0.045 0.000 0.994 332 D CA 1.468 55.506 54.000 0.063 0.000 0.830 332 D CB -0.349 40.471 40.800 0.034 0.000 0.959 332 D HN 0.407 nan 8.370 nan 0.000 0.452 333 I N 0.610 121.203 120.570 0.037 0.000 2.315 333 I HA -0.192 3.976 4.170 -0.003 0.000 0.248 333 I C 2.456 178.574 176.117 0.002 0.000 1.117 333 I CA 0.511 61.821 61.300 0.015 0.000 1.404 333 I CB -0.146 37.862 38.000 0.013 0.000 1.071 333 I HN -0.119 nan 8.210 nan 0.000 0.419 334 V N 0.570 120.501 119.914 0.028 0.000 2.358 334 V HA -0.070 4.048 4.120 -0.003 0.000 0.246 334 V C 1.699 177.729 176.094 -0.108 0.000 1.047 334 V CA 1.914 64.204 62.300 -0.017 0.000 1.035 334 V CB -0.531 31.330 31.823 0.063 0.000 0.658 334 V HN 0.747 nan 8.190 nan 0.000 0.452 335 G N -1.601 107.158 108.800 -0.068 0.000 2.321 335 G HA2 -0.141 3.817 3.960 -0.003 0.000 0.174 335 G HA3 -0.141 3.817 3.960 -0.003 0.000 0.174 335 G C -0.106 174.673 174.900 -0.201 0.000 1.008 335 G CA -0.609 44.400 45.100 -0.152 0.000 0.739 335 G HN 0.277 nan 8.290 nan 0.000 0.502 336 F N 3.455 123.348 119.950 -0.094 0.000 2.533 336 F HA 0.428 4.953 4.527 -0.003 0.000 0.378 336 F C 1.614 177.394 175.800 -0.033 0.000 1.070 336 F CA 0.564 58.517 58.000 -0.078 0.000 1.172 336 F CB 0.745 39.690 39.000 -0.092 0.000 1.085 336 F HN 0.246 nan 8.300 nan 0.000 0.552 337 S N 2.402 118.169 115.700 0.112 0.000 2.589 337 S HA -0.002 4.466 4.470 -0.003 0.000 0.265 337 S C 1.100 175.763 174.600 0.104 0.000 1.342 337 S CA -0.689 57.559 58.200 0.081 0.000 1.005 337 S CB 1.036 64.268 63.200 0.054 0.000 0.909 337 S HN 0.684 nan 8.310 nan 0.000 0.555 338 Q N 1.064 120.910 119.800 0.076 0.000 2.170 338 Q HA 0.012 4.350 4.340 -0.003 0.000 0.203 338 Q C 2.658 178.705 176.000 0.079 0.000 0.976 338 Q CA 2.369 58.219 55.803 0.079 0.000 0.858 338 Q CB -0.978 27.799 28.738 0.065 0.000 0.907 338 Q HN 0.995 nan 8.270 nan 0.000 0.433 339 E N 0.430 120.671 120.200 0.069 0.000 2.107 339 E HA -0.170 4.178 4.350 -0.003 0.000 0.191 339 E C 1.705 178.341 176.600 0.061 0.000 0.982 339 E CA 1.214 57.650 56.400 0.060 0.000 0.809 339 E CB -0.543 29.185 29.700 0.048 0.000 0.756 339 E HN 0.628 nan 8.360 nan 0.000 0.459 340 E N 0.133 120.394 120.200 0.100 0.000 2.023 340 E HA -0.250 4.098 4.350 -0.003 0.000 0.196 340 E C 2.531 179.165 176.600 0.056 0.000 1.003 340 E CA 1.489 57.984 56.400 0.159 0.000 0.809 340 E CB -0.153 29.751 29.700 0.341 0.000 0.755 340 E HN 0.633 nan 8.360 nan 0.000 0.449 341 Q N -0.125 119.684 119.800 0.016 0.000 2.077 341 Q HA -0.223 4.115 4.340 -0.003 0.000 0.206 341 Q C 2.274 178.106 176.000 -0.281 0.000 0.989 341 Q CA 1.323 56.998 55.803 -0.214 0.000 0.853 341 Q CB -0.206 28.515 28.738 -0.029 0.000 0.907 341 Q HN 0.285 nan 8.270 nan 0.000 0.418 342 M N 0.273 119.877 119.600 0.007 0.000 2.149 342 M HA -0.150 4.328 4.480 -0.003 0.000 0.261 342 M C 2.124 178.436 176.300 0.020 0.000 1.064 342 M CA 1.408 56.772 55.300 0.106 0.000 1.102 342 M CB -0.529 32.142 32.600 0.118 0.000 1.369 342 M HN 0.125 nan 8.290 nan 0.000 0.408 343 S N 0.772 116.449 115.700 -0.038 0.000 2.348 343 S HA -0.103 4.365 4.470 -0.003 0.000 0.221 343 S C 1.874 176.413 174.600 -0.102 0.000 1.033 343 S CA 1.241 59.407 58.200 -0.056 0.000 1.010 343 S CB -0.264 62.889 63.200 -0.078 0.000 0.891 343 S HN 0.457 nan 8.310 nan 0.000 0.442 344 I N 0.752 121.193 120.570 -0.214 0.000 2.121 344 I HA -0.320 3.848 4.170 -0.003 0.000 0.243 344 I C 1.869 177.888 176.117 -0.164 0.000 1.047 344 I CA 1.884 63.012 61.300 -0.287 0.000 1.308 344 I CB -0.570 37.103 38.000 -0.544 0.000 1.015 344 I HN 0.301 nan 8.210 nan 0.000 0.410 345 F N 0.331 120.346 119.950 0.109 0.000 2.325 345 F HA -0.125 4.400 4.527 -0.003 0.000 0.299 345 F C 2.480 178.298 175.800 0.030 0.000 1.090 345 F CA 0.644 58.700 58.000 0.093 0.000 1.392 345 F CB -0.343 38.744 39.000 0.145 0.000 1.053 345 F HN -0.082 nan 8.300 nan 0.000 0.521 346 K N 0.780 121.259 120.400 0.131 0.000 2.097 346 K HA -0.114 4.204 4.320 -0.003 0.000 0.205 346 K C 1.903 178.454 176.600 -0.082 0.000 1.050 346 K CA 1.205 57.501 56.287 0.015 0.000 0.938 346 K CB -0.183 32.315 32.500 -0.003 0.000 0.718 346 K HN 0.251 nan 8.250 nan 0.000 0.442 347 I N 0.807 121.401 120.570 0.039 0.000 2.202 347 I HA -0.269 3.899 4.170 -0.003 0.000 0.242 347 I C 1.913 178.157 176.117 0.211 0.000 1.091 347 I CA 0.681 62.099 61.300 0.197 0.000 1.368 347 I CB -0.213 37.923 38.000 0.226 0.000 1.058 347 I HN 0.106 nan 8.210 nan 0.000 0.410 348 I N 1.319 121.996 120.570 0.178 0.000 2.118 348 I HA -0.335 3.833 4.170 -0.003 0.000 0.241 348 I C 2.868 179.060 176.117 0.125 0.000 1.070 348 I CA 2.042 63.434 61.300 0.152 0.000 1.327 348 I CB -1.704 36.330 38.000 0.057 0.000 1.034 348 I HN 0.207 nan 8.210 nan 0.000 0.405 349 A N 0.809 123.639 122.820 0.017 0.000 1.877 349 A HA -0.110 4.208 4.320 -0.003 0.000 0.216 349 A C 2.526 180.030 177.584 -0.133 0.000 1.186 349 A CA 1.975 53.950 52.037 -0.103 0.000 0.620 349 A CB -1.414 17.580 19.000 -0.010 0.000 0.822 349 A HN 0.454 nan 8.150 nan 0.000 0.443 350 G N -0.197 108.467 108.800 -0.227 0.000 2.422 350 G HA2 -0.195 3.763 3.960 -0.003 0.000 0.218 350 G HA3 -0.195 3.763 3.960 -0.003 0.000 0.218 350 G C 1.524 176.516 174.900 0.154 0.000 1.146 350 G CA 1.093 45.933 45.100 -0.434 0.000 0.769 350 G HN 0.474 nan 8.290 nan 0.000 0.547 351 I N 0.242 121.008 120.570 0.326 0.000 2.226 351 I HA -0.141 4.027 4.170 -0.003 0.000 0.245 351 I C 2.711 178.991 176.117 0.273 0.000 1.100 351 I CA 0.699 62.278 61.300 0.464 0.000 1.374 351 I CB -0.106 38.240 38.000 0.576 0.000 1.057 351 I HN 0.152 nan 8.210 nan 0.000 0.413 352 L N -0.492 120.738 121.223 0.012 0.000 2.017 352 L HA -0.250 4.088 4.340 -0.003 0.000 0.208 352 L C 2.718 179.393 176.870 -0.325 0.000 1.073 352 L CA 1.226 55.842 54.840 -0.374 0.000 0.745 352 L CB -1.049 40.373 42.059 -1.063 0.000 0.894 352 L HN 0.345 nan 8.230 nan 0.000 0.432 353 H N 0.095 119.129 119.070 -0.061 0.000 2.352 353 H HA -0.149 4.405 4.556 -0.003 0.000 0.299 353 H C 2.422 177.772 175.328 0.037 0.000 1.097 353 H CA 1.465 57.540 56.048 0.046 0.000 1.311 353 H CB -0.354 29.425 29.762 0.028 0.000 1.377 353 H HN 0.311 nan 8.280 nan 0.000 0.504 354 L N -0.071 121.277 121.223 0.209 0.000 2.042 354 L HA -0.130 4.208 4.340 -0.003 0.000 0.210 354 L C 2.842 179.692 176.870 -0.033 0.000 1.076 354 L CA 1.166 56.114 54.840 0.181 0.000 0.749 354 L CB -0.797 41.464 42.059 0.336 0.000 0.893 354 L HN 0.314 nan 8.230 nan 0.000 0.432 355 G N -0.344 108.243 108.800 -0.355 0.000 2.450 355 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.220 355 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.220 355 G C 1.270 175.867 174.900 -0.506 0.000 1.130 355 G CA 0.817 45.266 45.100 -1.085 0.000 0.760 355 G HN 0.345 nan 8.290 nan 0.000 0.557 356 N N 0.065 118.635 118.700 -0.215 0.000 2.398 356 N HA 0.132 4.870 4.740 -0.003 0.000 0.188 356 N C 0.630 176.072 175.510 -0.114 0.000 1.122 356 N CA -0.145 52.846 53.050 -0.097 0.000 0.866 356 N CB 0.092 38.600 38.487 0.036 0.000 0.970 356 N HN 0.305 nan 8.380 nan 0.000 0.462 357 I N 1.100 121.574 120.570 -0.160 0.000 2.598 357 I HA -0.053 4.115 4.170 -0.003 0.000 0.284 357 I C 0.836 176.708 176.117 -0.409 0.000 1.140 357 I CA 0.319 61.440 61.300 -0.297 0.000 1.420 357 I CB 0.421 38.189 38.000 -0.387 0.000 1.387 357 I HN -0.159 nan 8.210 nan 0.000 0.553 358 K N 7.800 127.982 120.400 -0.364 0.000 2.389 358 K HA 0.383 4.701 4.320 -0.003 0.000 0.261 358 K C -1.118 175.324 176.600 -0.263 0.000 1.014 358 K CA -0.599 55.531 56.287 -0.261 0.000 0.920 358 K CB 0.648 33.084 32.500 -0.107 0.000 1.149 358 K HN 0.229 nan 8.250 nan 0.000 0.444 359 F N 2.262 122.234 119.950 0.037 0.000 2.429 359 F HA 0.263 4.788 4.527 -0.003 0.000 0.348 359 F C 0.660 176.478 175.800 0.030 0.000 1.109 359 F CA -0.128 57.897 58.000 0.040 0.000 1.232 359 F CB 0.939 39.967 39.000 0.048 0.000 1.157 359 F HN 0.485 nan 8.300 nan 0.000 0.564 360 E N 0.647 120.974 120.200 0.211 0.000 2.369 360 E HA 0.257 4.605 4.350 -0.003 0.000 0.270 360 E C -0.977 175.681 176.600 0.098 0.000 0.909 360 E CA -1.217 55.256 56.400 0.121 0.000 0.775 360 E CB 1.834 31.579 29.700 0.075 0.000 1.270 360 E HN 0.359 nan 8.360 nan 0.000 0.445 361 K N 0.784 121.217 120.400 0.054 0.000 2.448 361 K HA 0.197 4.515 4.320 -0.003 0.000 0.278 361 K C 0.089 176.700 176.600 0.019 0.000 1.009 361 K CA 0.146 56.444 56.287 0.018 0.000 0.995 361 K CB 0.563 33.064 32.500 0.002 0.000 0.917 361 K HN 0.653 nan 8.250 nan 0.000 0.481 362 G N 1.795 110.593 108.800 -0.003 0.000 2.574 362 G HA2 0.331 4.289 3.960 -0.003 0.000 0.248 362 G HA3 0.331 4.289 3.960 -0.003 0.000 0.248 362 G C 0.796 175.694 174.900 -0.003 0.000 1.422 362 G CA 0.271 45.379 45.100 0.012 0.000 1.051 362 G HN 0.711 nan 8.290 nan 0.000 0.560 363 A N -0.844 121.979 122.820 0.006 0.000 1.865 363 A HA 0.216 4.534 4.320 -0.003 0.000 0.217 363 A C 1.777 179.351 177.584 -0.016 0.000 1.191 363 A CA 2.219 54.257 52.037 0.001 0.000 0.623 363 A CB -1.149 17.858 19.000 0.012 0.000 0.826 363 A HN 1.092 nan 8.150 nan 0.000 0.444 364 G N -3.161 105.617 108.800 -0.036 0.000 2.641 364 G HA2 0.424 4.382 3.960 -0.003 0.000 0.239 364 G HA3 0.424 4.382 3.960 -0.003 0.000 0.239 364 G C 0.903 175.748 174.900 -0.093 0.000 1.402 364 G CA 0.774 45.840 45.100 -0.057 0.000 1.046 364 G HN 0.496 nan 8.290 nan 0.000 0.565 365 E N -0.975 119.160 120.200 -0.107 0.000 2.204 365 E HA 0.167 4.515 4.350 -0.003 0.000 0.194 365 E C 1.518 178.000 176.600 -0.198 0.000 0.989 365 E CA 0.810 57.141 56.400 -0.115 0.000 0.824 365 E CB -0.736 28.913 29.700 -0.084 0.000 0.756 365 E HN 0.886 nan 8.360 nan 0.000 0.477 366 G N -0.164 108.401 108.800 -0.393 0.000 2.406 366 G HA2 0.500 4.458 3.960 -0.003 0.000 0.251 366 G HA3 0.500 4.458 3.960 -0.003 0.000 0.251 366 G C 0.380 174.992 174.900 -0.481 0.000 1.271 366 G CA 0.097 44.719 45.100 -0.798 0.000 0.859 366 G HN 0.790 nan 8.290 nan 0.000 0.540 367 A N 0.810 123.518 122.820 -0.187 0.000 2.466 367 A HA 0.544 4.862 4.320 -0.003 0.000 0.238 367 A C 0.640 178.360 177.584 0.227 0.000 1.074 367 A CA 0.339 52.406 52.037 0.051 0.000 0.774 367 A CB 0.423 19.459 19.000 0.060 0.000 1.015 367 A HN 1.966 nan 8.150 nan 0.000 0.498 368 V N -0.284 119.755 119.914 0.209 0.000 3.001 368 V HA 0.802 4.920 4.120 -0.003 0.000 0.314 368 V C -0.836 175.386 176.094 0.213 0.000 1.099 368 V CA -1.058 61.367 62.300 0.209 0.000 0.989 368 V CB 1.732 33.637 31.823 0.135 0.000 1.040 368 V HN 0.827 nan 8.190 nan 0.000 0.434 369 L N 2.599 123.918 121.223 0.160 0.000 2.295 369 L HA 0.585 4.923 4.340 -0.003 0.000 0.281 369 L C 0.817 177.715 176.870 0.047 0.000 1.018 369 L CA 0.254 55.146 54.840 0.087 0.000 0.841 369 L CB 1.039 43.140 42.059 0.070 0.000 1.218 369 L HN 0.858 nan 8.230 nan 0.000 0.424 370 K N 1.253 121.670 120.400 0.029 0.000 2.067 370 K HA 0.059 4.377 4.320 -0.003 0.000 0.203 370 K C 0.055 176.657 176.600 0.004 0.000 1.048 370 K CA 0.560 56.859 56.287 0.020 0.000 0.954 370 K CB 0.241 32.753 32.500 0.019 0.000 0.737 370 K HN 0.495 nan 8.250 nan 0.000 0.444 371 D N 0.978 121.371 120.400 -0.011 0.000 2.280 371 D HA 0.101 4.739 4.640 -0.003 0.000 0.236 371 D C -0.285 175.999 176.300 -0.028 0.000 1.082 371 D CA -0.021 53.968 54.000 -0.019 0.000 0.834 371 D CB 1.139 41.923 40.800 -0.025 0.000 1.100 371 D HN -0.106 nan 8.370 nan 0.000 0.486 372 K N 2.113 122.502 120.400 -0.018 0.000 2.399 372 K HA 0.096 4.414 4.320 -0.003 0.000 0.204 372 K C 1.298 177.887 176.600 -0.019 0.000 1.023 372 K CA -0.080 56.196 56.287 -0.019 0.000 1.127 372 K CB 0.627 33.123 32.500 -0.007 0.000 0.856 372 K HN 0.374 nan 8.250 nan 0.000 0.514 373 T N 1.375 115.920 114.554 -0.015 0.000 2.652 373 T HA -0.225 4.123 4.350 -0.003 0.000 0.267 373 T C 2.116 176.809 174.700 -0.011 0.000 1.039 373 T CA 1.769 63.865 62.100 -0.006 0.000 1.153 373 T CB -0.180 68.692 68.868 0.006 0.000 0.863 373 T HN 0.329 nan 8.240 nan 0.000 0.428 374 A N 1.133 123.956 122.820 0.006 0.000 1.902 374 A HA 0.024 4.342 4.320 -0.003 0.000 0.217 374 A C 2.310 179.906 177.584 0.020 0.000 1.181 374 A CA 1.437 53.504 52.037 0.050 0.000 0.623 374 A CB -0.846 18.186 19.000 0.053 0.000 0.818 374 A HN 0.426 nan 8.150 nan 0.000 0.443 375 L N 0.344 121.564 121.223 -0.005 0.000 2.017 375 L HA -0.198 4.140 4.340 -0.003 0.000 0.208 375 L C 1.903 178.771 176.870 -0.004 0.000 1.073 375 L CA 2.425 57.274 54.840 0.015 0.000 0.745 375 L CB -0.617 41.444 42.059 0.005 0.000 0.894 375 L HN 0.325 nan 8.230 nan 0.000 0.432 376 N N 0.385 119.061 118.700 -0.040 0.000 2.120 376 N HA -0.144 4.594 4.740 -0.003 0.000 0.188 376 N C 1.863 177.277 175.510 -0.160 0.000 1.024 376 N CA 1.648 54.656 53.050 -0.071 0.000 0.852 376 N CB -0.671 37.786 38.487 -0.050 0.000 1.003 376 N HN 0.559 nan 8.380 nan 0.000 0.424 377 A N 1.017 123.684 122.820 -0.254 0.000 1.902 377 A HA 0.011 4.329 4.320 -0.003 0.000 0.217 377 A C 2.379 179.663 177.584 -0.500 0.000 1.181 377 A CA 2.018 53.709 52.037 -0.577 0.000 0.623 377 A CB -0.918 17.592 19.000 -0.817 0.000 0.818 377 A HN 0.321 nan 8.150 nan 0.000 0.443 378 A N -0.416 122.285 122.820 -0.199 0.000 1.877 378 A HA -0.096 4.222 4.320 -0.003 0.000 0.216 378 A C 2.461 180.098 177.584 0.087 0.000 1.186 378 A CA 2.194 54.251 52.037 0.033 0.000 0.620 378 A CB -0.987 18.206 19.000 0.321 0.000 0.822 378 A HN 0.476 nan 8.150 nan 0.000 0.443 379 S N -0.353 115.386 115.700 0.065 0.000 2.359 379 S HA -0.150 4.318 4.470 -0.003 0.000 0.224 379 S C 2.058 176.635 174.600 -0.038 0.000 1.035 379 S CA 1.804 60.024 58.200 0.032 0.000 1.018 379 S CB -0.709 62.478 63.200 -0.022 0.000 0.876 379 S HN 0.707 nan 8.310 nan 0.000 0.448 380 T N 2.614 117.096 114.554 -0.120 0.000 2.607 380 T HA -0.144 4.204 4.350 -0.003 0.000 0.267 380 T C 2.177 176.796 174.700 -0.135 0.000 1.049 380 T CA 1.904 63.916 62.100 -0.147 0.000 1.162 380 T CB -0.799 67.924 68.868 -0.241 0.000 0.863 380 T HN 0.453 nan 8.240 nan 0.000 0.424 381 V N -0.727 119.062 119.914 -0.208 0.000 2.515 381 V HA -0.056 4.062 4.120 -0.003 0.000 0.250 381 V C 2.113 178.114 176.094 -0.154 0.000 1.058 381 V CA 1.532 63.718 62.300 -0.190 0.000 1.064 381 V CB -1.303 30.385 31.823 -0.226 0.000 0.675 381 V HN 0.310 nan 8.190 nan 0.000 0.461 382 F N 2.415 122.365 119.950 -0.001 0.000 2.325 382 F HA 0.440 4.965 4.527 -0.003 0.000 0.299 382 F C 2.116 177.860 175.800 -0.093 0.000 1.090 382 F CA 0.793 58.792 58.000 -0.002 0.000 1.392 382 F CB -0.933 38.078 39.000 0.018 0.000 1.053 382 F HN 0.441 nan 8.300 nan 0.000 0.521 383 G N 1.026 109.852 108.800 0.043 0.000 2.248 383 G HA2 -0.074 3.884 3.960 -0.003 0.000 0.263 383 G HA3 -0.074 3.884 3.960 -0.003 0.000 0.263 383 G C -0.164 174.668 174.900 -0.112 0.000 1.082 383 G CA 0.114 45.193 45.100 -0.034 0.000 0.863 383 G HN 0.628 nan 8.290 nan 0.000 0.495 384 V N -3.032 116.782 119.914 -0.168 0.000 3.113 384 V HA 0.838 4.956 4.120 -0.003 0.000 0.316 384 V C 0.290 176.273 176.094 -0.185 0.000 1.125 384 V CA -1.546 60.583 62.300 -0.285 0.000 1.026 384 V CB 2.140 33.570 31.823 -0.656 0.000 1.080 384 V HN 0.352 nan 8.190 nan 0.000 0.444 385 N N 3.018 121.613 118.700 -0.175 0.000 2.411 385 N HA 0.356 5.094 4.740 -0.003 0.000 0.259 385 N C -1.599 173.856 175.510 -0.092 0.000 1.103 385 N CA -1.832 51.152 53.050 -0.110 0.000 0.954 385 N CB 1.753 40.184 38.487 -0.092 0.000 1.085 385 N HN 0.568 nan 8.380 nan 0.000 0.485 386 P HA -0.077 nan 4.420 nan 0.000 0.218 386 P C 1.201 178.493 177.300 -0.014 0.000 1.149 386 P CA 1.285 64.367 63.100 -0.030 0.000 0.817 386 P CB 0.111 31.797 31.700 -0.023 0.000 0.785 387 S N 0.007 115.695 115.700 -0.021 0.000 2.383 387 S HA -0.063 4.405 4.470 -0.003 0.000 0.227 387 S C 2.149 176.741 174.600 -0.014 0.000 1.026 387 S CA 1.529 59.722 58.200 -0.012 0.000 0.981 387 S CB -1.410 61.781 63.200 -0.015 0.000 0.818 387 S HN -0.077 nan 8.310 nan 0.000 0.472 388 V N 1.132 121.028 119.914 -0.031 0.000 2.295 388 V HA -0.142 3.976 4.120 -0.003 0.000 0.246 388 V C 2.414 178.498 176.094 -0.017 0.000 1.049 388 V CA 1.651 63.930 62.300 -0.035 0.000 1.024 388 V CB -0.567 31.218 31.823 -0.063 0.000 0.648 388 V HN 0.658 nan 8.190 nan 0.000 0.447 389 L N 0.388 121.600 121.223 -0.020 0.000 2.046 389 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 389 L C 2.391 179.311 176.870 0.084 0.000 1.077 389 L CA 2.343 57.204 54.840 0.035 0.000 0.747 389 L CB -0.789 41.289 42.059 0.032 0.000 0.896 389 L HN 0.473 nan 8.230 nan 0.000 0.432 390 E N -0.636 119.607 120.200 0.072 0.000 2.023 390 E HA -0.265 4.083 4.350 -0.003 0.000 0.196 390 E C 2.086 178.734 176.600 0.081 0.000 1.003 390 E CA 1.226 57.687 56.400 0.102 0.000 0.809 390 E CB -0.025 29.718 29.700 0.071 0.000 0.755 390 E HN 0.301 nan 8.360 nan 0.000 0.449 391 K N 0.178 120.598 120.400 0.032 0.000 2.044 391 K HA -0.169 4.150 4.320 -0.003 0.000 0.210 391 K C 2.028 178.633 176.600 0.009 0.000 1.049 391 K CA 1.315 57.602 56.287 0.000 0.000 0.927 391 K CB -0.624 31.867 32.500 -0.015 0.000 0.713 391 K HN 0.251 nan 8.250 nan 0.000 0.443 392 A N 0.644 123.480 122.820 0.028 0.000 2.070 392 A HA -0.092 4.226 4.320 -0.003 0.000 0.220 392 A C 2.247 179.860 177.584 0.048 0.000 1.159 392 A CA 1.104 53.163 52.037 0.036 0.000 0.656 392 A CB -0.340 18.690 19.000 0.050 0.000 0.800 392 A HN 0.204 nan 8.150 nan 0.000 0.453 393 L N -2.032 119.234 121.223 0.073 0.000 2.145 393 L HA 0.062 4.400 4.340 -0.003 0.000 0.201 393 L C 2.620 179.469 176.870 -0.035 0.000 1.075 393 L CA 0.960 55.840 54.840 0.067 0.000 0.773 393 L CB -0.238 41.957 42.059 0.227 0.000 0.936 393 L HN 0.334 nan 8.230 nan 0.000 0.451 394 M N -1.398 118.200 119.600 -0.002 0.000 2.516 394 M HA 0.070 4.548 4.480 -0.003 0.000 0.259 394 M C 0.048 176.343 176.300 -0.008 0.000 1.146 394 M CA 0.828 56.118 55.300 -0.017 0.000 1.122 394 M CB 0.579 33.222 32.600 0.072 0.000 1.341 394 M HN 0.044 nan 8.290 nan 0.000 0.478 395 E N 1.354 121.523 120.200 -0.053 0.000 4.052 395 E HA 0.238 4.586 4.350 -0.003 0.000 0.219 395 E C -2.478 174.100 176.600 -0.036 0.000 1.166 395 E CA -1.510 54.841 56.400 -0.083 0.000 1.338 395 E CB 0.907 30.498 29.700 -0.182 0.000 1.212 395 E HN 0.123 nan 8.360 nan 0.000 0.432 396 P HA 0.129 nan 4.420 nan 0.000 0.275 396 P C -0.400 176.901 177.300 0.003 0.000 1.228 396 P CA -0.306 62.794 63.100 0.001 0.000 0.786 396 P CB 1.018 32.723 31.700 0.009 0.000 0.927 397 R N 2.211 122.715 120.500 0.007 0.000 2.297 397 R HA 0.595 4.933 4.340 -0.003 0.000 0.308 397 R C 0.443 176.754 176.300 0.018 0.000 1.029 397 R CA -0.645 55.460 56.100 0.009 0.000 0.929 397 R CB 0.520 30.824 30.300 0.006 0.000 1.046 397 R HN 0.549 nan 8.270 nan 0.000 0.461 398 I N -1.126 119.454 120.570 0.017 0.000 3.108 398 I HA 0.471 4.639 4.170 -0.003 0.000 0.312 398 I C -0.709 175.418 176.117 0.016 0.000 1.095 398 I CA -1.339 59.974 61.300 0.021 0.000 1.000 398 I CB 1.493 39.506 38.000 0.021 0.000 1.229 398 I HN 0.327 nan 8.210 nan 0.000 0.454 399 L N 3.033 124.266 121.223 0.016 0.000 2.331 399 L HA 0.551 4.889 4.340 -0.003 0.000 0.278 399 L C 0.236 177.110 176.870 0.006 0.000 1.106 399 L CA -0.467 54.379 54.840 0.010 0.000 0.824 399 L CB 1.297 43.361 42.059 0.008 0.000 1.142 399 L HN 0.836 nan 8.230 nan 0.000 0.443 400 A N 3.158 125.980 122.820 0.004 0.000 2.394 400 A HA 0.650 4.968 4.320 -0.003 0.000 0.333 400 A C 0.658 178.242 177.584 -0.000 0.000 1.397 400 A CA 0.254 52.292 52.037 0.001 0.000 0.884 400 A CB 0.634 19.635 19.000 0.001 0.000 1.147 400 A HN 1.012 nan 8.150 nan 0.000 0.505 401 G N 2.556 111.355 108.800 -0.002 0.000 2.595 401 G HA2 -0.318 3.640 3.960 -0.003 0.000 0.297 401 G HA3 -0.318 3.640 3.960 -0.003 0.000 0.297 401 G C 0.867 175.766 174.900 -0.002 0.000 1.181 401 G CA 0.686 45.784 45.100 -0.003 0.000 0.963 401 G HN 0.790 nan 8.290 nan 0.000 0.541 402 R N 0.895 121.395 120.500 -0.001 0.000 2.437 402 R HA 0.249 4.587 4.340 -0.003 0.000 0.257 402 R C 0.042 176.343 176.300 0.002 0.000 0.927 402 R CA 0.111 56.211 56.100 0.000 0.000 1.078 402 R CB 0.410 30.709 30.300 -0.000 0.000 1.161 402 R HN 0.472 nan 8.270 nan 0.000 0.529 403 D N 0.854 121.255 120.400 0.002 0.000 2.339 403 D HA 0.069 4.707 4.640 -0.003 0.000 0.245 403 D C -0.978 175.324 176.300 0.004 0.000 1.115 403 D CA -0.267 53.735 54.000 0.003 0.000 0.917 403 D CB 1.052 41.853 40.800 0.002 0.000 1.192 403 D HN -0.174 nan 8.370 nan 0.000 0.428 404 L N 4.139 125.365 121.223 0.005 0.000 2.262 404 L HA 0.414 4.752 4.340 -0.003 0.000 0.288 404 L C -1.329 175.543 176.870 0.005 0.000 1.035 404 L CA -0.489 54.354 54.840 0.006 0.000 0.820 404 L CB 1.164 43.226 42.059 0.006 0.000 1.204 404 L HN 0.170 nan 8.230 nan 0.000 0.424 405 V N 5.170 125.087 119.914 0.006 0.000 2.444 405 V HA 0.685 4.803 4.120 -0.003 0.000 0.294 405 V C 0.312 176.409 176.094 0.005 0.000 1.022 405 V CA -0.704 61.599 62.300 0.006 0.000 0.850 405 V CB 1.446 33.273 31.823 0.007 0.000 0.992 405 V HN 0.901 nan 8.190 nan 0.000 0.426 406 A N 5.205 128.026 122.820 0.001 0.000 2.409 406 A HA 0.579 4.897 4.320 -0.003 0.000 0.267 406 A C 0.235 177.822 177.584 0.004 0.000 1.127 406 A CA -0.356 51.677 52.037 -0.006 0.000 0.795 406 A CB 0.253 19.241 19.000 -0.020 0.000 1.061 406 A HN 0.746 nan 8.150 nan 0.000 0.502 407 Q N 0.692 120.497 119.800 0.009 0.000 2.249 407 Q HA 0.263 4.601 4.340 -0.003 0.000 0.226 407 Q C -0.640 175.400 176.000 0.066 0.000 0.983 407 Q CA 0.001 55.823 55.803 0.033 0.000 0.930 407 Q CB 0.951 29.704 28.738 0.026 0.000 1.193 407 Q HN 0.871 nan 8.270 nan 0.000 0.508 408 H N 0.170 119.230 119.070 -0.017 0.000 2.991 408 H HA 0.389 4.943 4.556 -0.003 0.000 0.304 408 H C -0.751 174.557 175.328 -0.034 0.000 1.040 408 H CA -0.364 55.672 56.048 -0.020 0.000 1.410 408 H CB 0.330 30.087 29.762 -0.010 0.000 1.529 408 H HN 0.357 nan 8.280 nan 0.000 0.509 409 L N 3.993 125.321 121.223 0.175 0.000 2.397 409 L HA 0.085 4.423 4.340 -0.003 0.000 0.271 409 L C 0.758 177.604 176.870 -0.040 0.000 1.148 409 L CA -0.625 54.225 54.840 0.016 0.000 0.825 409 L CB 0.423 42.449 42.059 -0.055 0.000 1.117 409 L HN 0.746 nan 8.230 nan 0.000 0.456 410 N N 2.162 120.816 118.700 -0.076 0.000 2.285 410 N HA 0.013 4.751 4.740 -0.003 0.000 0.262 410 N C 0.738 176.191 175.510 -0.095 0.000 1.299 410 N CA -0.567 52.430 53.050 -0.088 0.000 0.930 410 N CB 0.232 38.679 38.487 -0.065 0.000 1.157 410 N HN 0.274 nan 8.380 nan 0.000 0.532 411 V N -0.363 119.523 119.914 -0.046 0.000 2.295 411 V HA -0.214 3.904 4.120 -0.003 0.000 0.246 411 V C 2.515 178.594 176.094 -0.025 0.000 1.049 411 V CA 2.271 64.570 62.300 -0.002 0.000 1.024 411 V CB -1.109 30.758 31.823 0.072 0.000 0.648 411 V HN 0.820 nan 8.190 nan 0.000 0.447 412 E N 0.315 120.507 120.200 -0.014 0.000 2.038 412 E HA -0.263 4.085 4.350 -0.003 0.000 0.195 412 E C 2.305 178.881 176.600 -0.040 0.000 1.000 412 E CA 1.556 57.953 56.400 -0.006 0.000 0.803 412 E CB -0.083 29.616 29.700 -0.002 0.000 0.750 412 E HN 0.553 nan 8.360 nan 0.000 0.448 413 K N 0.122 120.482 120.400 -0.067 0.000 2.097 413 K HA -0.094 4.224 4.320 -0.003 0.000 0.206 413 K C 2.395 178.904 176.600 -0.152 0.000 1.049 413 K CA 1.396 57.634 56.287 -0.081 0.000 0.933 413 K CB -0.076 32.386 32.500 -0.063 0.000 0.717 413 K HN 0.040 nan 8.250 nan 0.000 0.442 414 S N 0.833 116.354 115.700 -0.298 0.000 2.356 414 S HA -0.158 4.310 4.470 -0.003 0.000 0.223 414 S C 2.107 176.366 174.600 -0.569 0.000 1.032 414 S CA 1.495 59.310 58.200 -0.643 0.000 1.005 414 S CB -0.282 62.149 63.200 -1.282 0.000 0.867 414 S HN 0.343 nan 8.310 nan 0.000 0.449 415 S N 1.246 116.780 115.700 -0.278 0.000 2.370 415 S HA -0.138 4.330 4.470 -0.003 0.000 0.226 415 S C 2.103 176.782 174.600 0.132 0.000 1.033 415 S CA 1.766 60.072 58.200 0.177 0.000 1.011 415 S CB -0.533 62.807 63.200 0.233 0.000 0.852 415 S HN 0.506 nan 8.310 nan 0.000 0.457 416 S N -0.035 115.690 115.700 0.041 0.000 2.387 416 S HA -0.045 4.423 4.470 -0.003 0.000 0.226 416 S C 2.092 176.719 174.600 0.044 0.000 1.026 416 S CA 1.749 59.978 58.200 0.048 0.000 0.972 416 S CB -0.822 62.389 63.200 0.019 0.000 0.814 416 S HN 0.590 nan 8.310 nan 0.000 0.477 417 S N 1.380 117.084 115.700 0.006 0.000 2.368 417 S HA -0.091 4.377 4.470 -0.003 0.000 0.225 417 S C 2.210 176.853 174.600 0.072 0.000 1.030 417 S CA 1.147 59.357 58.200 0.017 0.000 0.999 417 S CB -0.635 62.551 63.200 -0.023 0.000 0.844 417 S HN 0.578 nan 8.310 nan 0.000 0.459 418 R N 1.142 121.722 120.500 0.133 0.000 2.091 418 R HA -0.127 4.211 4.340 -0.003 0.000 0.238 418 R C 1.409 177.838 176.300 0.216 0.000 1.136 418 R CA 2.196 58.439 56.100 0.238 0.000 0.959 418 R CB -1.220 29.343 30.300 0.438 0.000 0.856 418 R HN 0.380 nan 8.270 nan 0.000 0.437 419 D N 0.489 121.013 120.400 0.205 0.000 2.104 419 D HA -0.129 4.509 4.640 -0.003 0.000 0.194 419 D C 1.821 178.178 176.300 0.096 0.000 0.994 419 D CA 1.818 55.921 54.000 0.171 0.000 0.830 419 D CB -0.404 40.478 40.800 0.136 0.000 0.959 419 D HN 0.369 nan 8.370 nan 0.000 0.452 420 A N 0.715 123.576 122.820 0.069 0.000 1.892 420 A HA -0.185 4.133 4.320 -0.003 0.000 0.218 420 A C 2.184 179.782 177.584 0.023 0.000 1.188 420 A CA 1.495 53.553 52.037 0.035 0.000 0.631 420 A CB -0.836 18.177 19.000 0.023 0.000 0.822 420 A HN 0.290 nan 8.150 nan 0.000 0.447 421 L N -0.151 121.086 121.223 0.024 0.000 2.046 421 L HA -0.093 4.245 4.340 -0.003 0.000 0.208 421 L C 2.345 179.198 176.870 -0.028 0.000 1.077 421 L CA 1.959 56.774 54.840 -0.042 0.000 0.747 421 L CB -0.621 41.390 42.059 -0.080 0.000 0.896 421 L HN 0.135 nan 8.230 nan 0.000 0.432 422 V N 0.108 120.065 119.914 0.073 0.000 2.287 422 V HA -0.340 3.778 4.120 -0.003 0.000 0.248 422 V C 2.647 178.816 176.094 0.126 0.000 1.053 422 V CA 2.335 64.725 62.300 0.150 0.000 1.027 422 V CB -0.697 31.271 31.823 0.242 0.000 0.646 422 V HN 0.492 nan 8.190 nan 0.000 0.447 423 K N 0.055 120.498 120.400 0.072 0.000 2.057 423 K HA -0.125 4.193 4.320 -0.003 0.000 0.207 423 K C 2.308 178.952 176.600 0.074 0.000 1.049 423 K CA 1.437 57.771 56.287 0.078 0.000 0.931 423 K CB -0.439 32.087 32.500 0.043 0.000 0.714 423 K HN 0.480 nan 8.250 nan 0.000 0.440 424 A N 1.552 124.378 122.820 0.010 0.000 1.902 424 A HA -0.151 4.167 4.320 -0.003 0.000 0.217 424 A C 2.154 179.679 177.584 -0.099 0.000 1.181 424 A CA 1.293 53.290 52.037 -0.067 0.000 0.623 424 A CB -0.672 18.260 19.000 -0.113 0.000 0.818 424 A HN 0.157 nan 8.150 nan 0.000 0.443 425 L N -2.463 118.735 121.223 -0.043 0.000 2.042 425 L HA -0.214 4.124 4.340 -0.003 0.000 0.210 425 L C 2.579 179.482 176.870 0.055 0.000 1.076 425 L CA 1.877 56.707 54.840 -0.017 0.000 0.749 425 L CB -0.543 41.552 42.059 0.060 0.000 0.893 425 L HN 0.572 nan 8.230 nan 0.000 0.432 426 Y N 0.298 120.623 120.300 0.042 0.000 2.163 426 Y HA -0.145 4.403 4.550 -0.003 0.000 0.288 426 Y C 2.368 178.283 175.900 0.024 0.000 1.136 426 Y CA 1.602 59.743 58.100 0.069 0.000 1.147 426 Y CB -0.498 38.031 38.460 0.114 0.000 0.987 426 Y HN 0.082 nan 8.280 nan 0.000 0.509 427 G N -0.332 108.542 108.800 0.123 0.000 2.418 427 G HA2 -0.227 3.731 3.960 -0.003 0.000 0.217 427 G HA3 -0.227 3.731 3.960 -0.003 0.000 0.217 427 G C 1.735 176.633 174.900 -0.002 0.000 1.158 427 G CA 0.756 45.889 45.100 0.056 0.000 0.771 427 G HN 0.307 nan 8.290 nan 0.000 0.545 428 R N -0.678 119.776 120.500 -0.076 0.000 2.075 428 R HA 0.053 4.391 4.340 -0.003 0.000 0.232 428 R C 2.486 178.735 176.300 -0.085 0.000 1.126 428 R CA 0.990 57.017 56.100 -0.123 0.000 0.963 428 R CB -0.518 29.614 30.300 -0.281 0.000 0.858 428 R HN 0.357 nan 8.270 nan 0.000 0.435 429 L N 0.278 121.426 121.223 -0.125 0.000 2.013 429 L HA -0.197 4.141 4.340 -0.003 0.000 0.212 429 L C 1.992 178.765 176.870 -0.162 0.000 1.073 429 L CA 1.697 56.455 54.840 -0.137 0.000 0.753 429 L CB -0.530 41.395 42.059 -0.223 0.000 0.890 429 L HN 0.052 nan 8.230 nan 0.000 0.432 430 F N -0.453 119.270 119.950 -0.380 0.000 2.095 430 F HA -0.234 4.291 4.527 -0.003 0.000 0.298 430 F C 2.121 177.765 175.800 -0.260 0.000 1.104 430 F CA 1.845 59.608 58.000 -0.394 0.000 1.232 430 F CB -0.244 38.527 39.000 -0.381 0.000 0.987 430 F HN 0.033 nan 8.300 nan 0.000 0.475 431 L N -1.586 119.611 121.223 -0.044 0.000 2.083 431 L HA -0.233 4.105 4.340 -0.003 0.000 0.209 431 L C 2.261 179.052 176.870 -0.132 0.000 1.083 431 L CA 1.464 56.247 54.840 -0.095 0.000 0.752 431 L CB -0.928 41.122 42.059 -0.016 0.000 0.899 431 L HN 0.405 nan 8.230 nan 0.000 0.433 432 W N 1.090 122.243 121.300 -0.245 0.000 2.354 432 W HA -0.201 4.457 4.660 -0.003 0.000 0.315 432 W C 2.311 178.694 176.519 -0.227 0.000 1.206 432 W CA 1.496 58.716 57.345 -0.210 0.000 1.290 432 W CB -0.391 28.958 29.460 -0.185 0.000 1.152 432 W HN -0.069 nan 8.180 nan 0.000 0.489 433 L N -0.096 120.924 121.223 -0.338 0.000 1.997 433 L HA -0.342 3.996 4.340 -0.003 0.000 0.216 433 L C 2.259 178.834 176.870 -0.492 0.000 1.074 433 L CA 1.915 56.440 54.840 -0.525 0.000 0.763 433 L CB -1.617 39.992 42.059 -0.750 0.000 0.890 433 L HN -0.092 nan 8.230 nan 0.000 0.434 434 V N -0.218 119.359 119.914 -0.562 0.000 2.343 434 V HA -0.308 3.810 4.120 -0.003 0.000 0.247 434 V C 2.572 178.460 176.094 -0.343 0.000 1.051 434 V CA 2.032 64.063 62.300 -0.448 0.000 1.036 434 V CB -0.643 30.914 31.823 -0.443 0.000 0.654 434 V HN 0.456 nan 8.190 nan 0.000 0.451 435 K N 0.118 120.313 120.400 -0.342 0.000 2.009 435 K HA -0.248 4.070 4.320 -0.003 0.000 0.210 435 K C 2.344 178.712 176.600 -0.388 0.000 1.049 435 K CA 1.572 57.673 56.287 -0.309 0.000 0.929 435 K CB -0.112 32.228 32.500 -0.266 0.000 0.714 435 K HN 0.262 nan 8.250 nan 0.000 0.440 436 K N 0.787 120.843 120.400 -0.574 0.000 2.032 436 K HA -0.138 4.180 4.320 -0.003 0.000 0.209 436 K C 2.227 178.524 176.600 -0.506 0.000 1.048 436 K CA 1.528 57.412 56.287 -0.672 0.000 0.927 436 K CB -0.498 31.374 32.500 -1.047 0.000 0.712 436 K HN 0.296 nan 8.250 nan 0.000 0.441 437 I N 1.904 122.256 120.570 -0.365 0.000 2.194 437 I HA -0.322 3.846 4.170 -0.003 0.000 0.246 437 I C 1.924 177.899 176.117 -0.236 0.000 1.093 437 I CA 1.196 62.344 61.300 -0.254 0.000 1.355 437 I CB -0.396 37.506 38.000 -0.163 0.000 1.046 437 I HN 0.160 nan 8.210 nan 0.000 0.413 438 N N 0.823 119.382 118.700 -0.233 0.000 2.309 438 N HA -0.131 4.607 4.740 -0.003 0.000 0.182 438 N C 1.544 176.942 175.510 -0.187 0.000 1.018 438 N CA 0.950 53.885 53.050 -0.191 0.000 0.876 438 N CB -0.480 37.901 38.487 -0.177 0.000 0.972 438 N HN 0.385 nan 8.380 nan 0.000 0.434 439 N N 0.599 119.166 118.700 -0.222 0.000 2.120 439 N HA -0.080 4.658 4.740 -0.003 0.000 0.188 439 N C 1.900 177.297 175.510 -0.189 0.000 1.024 439 N CA 0.635 53.565 53.050 -0.200 0.000 0.852 439 N CB -0.490 37.860 38.487 -0.228 0.000 1.003 439 N HN 0.027 nan 8.380 nan 0.000 0.424 440 V N 1.949 121.729 119.914 -0.222 0.000 2.255 440 V HA -0.180 3.938 4.120 -0.003 0.000 0.247 440 V C 2.289 178.294 176.094 -0.148 0.000 1.051 440 V CA 1.372 63.559 62.300 -0.190 0.000 1.018 440 V CB -0.626 31.068 31.823 -0.216 0.000 0.641 440 V HN 0.248 nan 8.190 nan 0.000 0.445 441 L N -1.163 119.972 121.223 -0.146 0.000 2.395 441 L HA 0.021 4.359 4.340 -0.003 0.000 0.218 441 L C 1.298 178.097 176.870 -0.119 0.000 1.130 441 L CA 0.493 55.259 54.840 -0.125 0.000 0.826 441 L CB -0.201 41.784 42.059 -0.123 0.000 0.941 441 L HN 0.400 nan 8.230 nan 0.000 0.451 442 C N 0.771 119.998 119.300 -0.121 0.000 2.787 442 C HA 0.321 4.779 4.460 -0.003 0.000 0.265 442 C C 1.160 176.091 174.990 -0.098 0.000 1.190 442 C CA -0.326 58.626 59.018 -0.109 0.000 1.616 442 C CB -0.274 27.398 27.740 -0.114 0.000 1.732 442 C HN 0.430 nan 8.230 nan 0.000 0.433 443 Q N 1.065 120.812 119.800 -0.088 0.000 2.189 443 Q HA 0.302 4.640 4.340 -0.003 0.000 0.223 443 Q C 0.031 175.993 176.000 -0.063 0.000 0.828 443 Q CA 0.393 56.149 55.803 -0.078 0.000 0.967 443 Q CB 0.730 29.420 28.738 -0.081 0.000 1.139 443 Q HN 0.662 nan 8.270 nan 0.000 0.497 444 E N 0.187 120.352 120.200 -0.059 0.000 2.390 444 E HA 0.328 4.677 4.350 -0.003 0.000 0.277 444 E C -1.025 175.550 176.600 -0.043 0.000 0.939 444 E CA -0.616 55.756 56.400 -0.046 0.000 0.769 444 E CB 1.776 31.452 29.700 -0.040 0.000 1.251 444 E HN 0.086 nan 8.360 nan 0.000 0.450 445 R N 1.268 121.747 120.500 -0.035 0.000 2.643 445 R HA 0.097 4.435 4.340 -0.003 0.000 0.270 445 R C 0.678 176.965 176.300 -0.021 0.000 1.061 445 R CA 0.143 56.225 56.100 -0.029 0.000 1.107 445 R CB 0.638 30.922 30.300 -0.028 0.000 0.999 445 R HN 0.382 nan 8.270 nan 0.000 0.460 446 K N 0.994 121.387 120.400 -0.011 0.000 2.098 446 K HA 0.420 4.738 4.320 -0.003 0.000 0.258 446 K C -0.178 176.406 176.600 -0.026 0.000 0.973 446 K CA -0.430 55.866 56.287 0.015 0.000 0.898 446 K CB 1.872 34.409 32.500 0.060 0.000 1.057 446 K HN 0.543 nan 8.250 nan 0.000 0.447 447 A N 1.942 124.724 122.820 -0.063 0.000 1.993 447 A HA 0.221 4.539 4.320 -0.003 0.000 0.207 447 A C -0.373 176.851 177.584 -0.599 0.000 1.224 447 A CA 0.376 52.199 52.037 -0.357 0.000 0.749 447 A CB -0.038 18.723 19.000 -0.398 0.000 0.884 447 A HN 0.670 nan 8.150 nan 0.000 0.467 448 Y N -1.645 118.785 120.300 0.217 0.000 2.615 448 Y HA 0.582 5.130 4.550 -0.003 0.000 0.341 448 Y C -0.655 175.480 175.900 0.391 0.000 1.089 448 Y CA -1.875 56.357 58.100 0.221 0.000 1.049 448 Y CB 1.432 39.981 38.460 0.150 0.000 1.296 448 Y HN 0.316 nan 8.280 nan 0.000 0.470 449 F N -0.477 119.731 119.950 0.431 0.000 2.613 449 F HA 0.860 5.385 4.527 -0.003 0.000 0.310 449 F C -1.846 174.170 175.800 0.360 0.000 1.085 449 F CA -1.466 56.747 58.000 0.355 0.000 0.945 449 F CB 1.287 40.386 39.000 0.164 0.000 1.298 449 F HN 0.267 nan 8.300 nan 0.000 0.455 450 I N 2.700 123.610 120.570 0.567 0.000 2.355 450 I HA 0.505 4.673 4.170 -0.003 0.000 0.288 450 I C 0.319 176.646 176.117 0.350 0.000 0.999 450 I CA -0.817 60.708 61.300 0.375 0.000 1.163 450 I CB 1.513 39.738 38.000 0.375 0.000 1.316 450 I HN 0.965 nan 8.210 nan 0.000 0.454 451 G N 5.788 114.802 108.800 0.355 0.000 2.356 451 G HA2 0.569 4.527 3.960 -0.003 0.000 0.298 451 G HA3 0.569 4.527 3.960 -0.003 0.000 0.298 451 G C -0.667 174.139 174.900 -0.156 0.000 1.145 451 G CA -0.272 44.748 45.100 -0.133 0.000 0.850 451 G HN 0.347 nan 8.290 nan 0.000 0.487 452 V N 2.990 122.699 119.914 -0.342 0.000 2.487 452 V HA 0.389 4.507 4.120 -0.003 0.000 0.298 452 V C -0.387 175.724 176.094 0.029 0.000 1.028 452 V CA -0.884 61.382 62.300 -0.058 0.000 0.860 452 V CB 1.436 33.254 31.823 -0.008 0.000 0.991 452 V HN 0.658 nan 8.190 nan 0.000 0.427 453 L N 3.925 125.286 121.223 0.230 0.000 2.265 453 L HA 0.681 5.019 4.340 -0.003 0.000 0.289 453 L C -0.532 176.443 176.870 0.175 0.000 1.033 453 L CA 0.372 55.409 54.840 0.328 0.000 0.814 453 L CB 1.159 43.413 42.059 0.326 0.000 1.203 453 L HN 0.743 nan 8.230 nan 0.000 0.423 454 D N 5.534 126.025 120.400 0.150 0.000 2.404 454 D HA 0.257 4.895 4.640 -0.003 0.000 0.267 454 D C -0.264 176.058 176.300 0.037 0.000 1.194 454 D CA -0.371 53.673 54.000 0.073 0.000 0.910 454 D CB 0.352 41.175 40.800 0.039 0.000 1.090 454 D HN 0.491 nan 8.370 nan 0.000 0.511 455 I N -0.908 119.689 120.570 0.045 0.000 2.886 455 I HA 0.484 4.652 4.170 -0.003 0.000 0.299 455 I C 0.231 176.343 176.117 -0.009 0.000 1.044 455 I CA -0.705 60.609 61.300 0.024 0.000 1.310 455 I CB 1.141 39.157 38.000 0.026 0.000 1.441 455 I HN -0.040 nan 8.210 nan 0.000 0.578 456 S N 2.619 118.314 115.700 -0.010 0.000 2.525 456 S HA 0.281 4.749 4.470 -0.003 0.000 0.285 456 S C 0.436 175.056 174.600 0.033 0.000 1.283 456 S CA -0.244 57.959 58.200 0.006 0.000 1.072 456 S CB 0.332 63.545 63.200 0.020 0.000 0.867 456 S HN 0.908 nan 8.310 nan 0.000 0.492 457 G N 1.636 110.464 108.800 0.045 0.000 2.572 457 G HA2 0.433 4.391 3.960 -0.003 0.000 0.261 457 G HA3 0.433 4.391 3.960 -0.003 0.000 0.261 457 G C -0.346 174.606 174.900 0.087 0.000 1.197 457 G CA -0.776 44.375 45.100 0.084 0.000 0.870 457 G HN 0.613 nan 8.290 nan 0.000 0.548 458 F N 1.093 121.037 119.950 -0.010 0.000 2.604 458 F HA 0.146 4.671 4.527 -0.004 0.000 0.390 458 F C 1.046 176.762 175.800 -0.140 0.000 1.053 458 F CA 0.803 58.761 58.000 -0.071 0.000 1.256 458 F CB 0.477 39.428 39.000 -0.081 0.000 0.996 458 F HN 0.610 nan 8.300 nan 0.000 0.564 459 E N 5.855 125.640 120.200 -0.692 0.000 2.390 459 E HA 0.668 5.016 4.350 -0.003 0.000 0.277 459 E C -1.617 174.488 176.600 -0.825 0.000 0.939 459 E CA -0.983 55.040 56.400 -0.628 0.000 0.769 459 E CB 2.178 31.533 29.700 -0.575 0.000 1.251 459 E HN 0.521 nan 8.360 nan 0.000 0.450 460 I N 1.822 121.918 120.570 -0.790 0.000 2.534 460 I HA 0.460 4.628 4.170 -0.003 0.000 0.288 460 I C -1.192 174.479 176.117 -0.743 0.000 1.077 460 I CA -0.819 60.103 61.300 -0.630 0.000 1.051 460 I CB 0.945 38.755 38.000 -0.316 0.000 1.234 460 I HN 0.457 nan 8.210 nan 0.000 0.425 461 F N 3.286 123.180 119.950 -0.094 0.000 2.631 461 F HA 0.504 5.029 4.527 -0.003 0.000 0.350 461 F C 1.520 177.288 175.800 -0.054 0.000 1.080 461 F CA -0.981 56.985 58.000 -0.056 0.000 1.026 461 F CB 0.716 39.699 39.000 -0.028 0.000 1.347 461 F HN 0.285 nan 8.300 nan 0.000 0.501 462 K N -0.184 120.331 120.400 0.191 0.000 2.063 462 K HA 0.002 4.320 4.320 -0.003 0.000 0.208 462 K C -0.208 176.444 176.600 0.087 0.000 1.048 462 K CA 1.247 57.588 56.287 0.089 0.000 0.928 462 K CB -0.150 32.393 32.500 0.072 0.000 0.713 462 K HN 0.167 nan 8.250 nan 0.000 0.442 463 V N 2.935 122.933 119.914 0.140 0.000 2.378 463 V HA 0.174 4.292 4.120 -0.003 0.000 0.288 463 V C -0.730 175.476 176.094 0.186 0.000 1.016 463 V CA -0.978 61.401 62.300 0.132 0.000 0.840 463 V CB 1.448 33.346 31.823 0.124 0.000 0.994 463 V HN 0.198 nan 8.190 nan 0.000 0.431 464 N N 2.779 121.562 118.700 0.139 0.000 2.362 464 N HA 0.580 5.318 4.740 -0.003 0.000 0.298 464 N C -0.319 175.412 175.510 0.367 0.000 1.048 464 N CA -0.210 52.958 53.050 0.197 0.000 0.858 464 N CB 2.380 40.829 38.487 -0.064 0.000 1.218 464 N HN 0.615 nan 8.380 nan 0.000 0.488 465 S N 0.284 116.248 115.700 0.440 0.000 2.921 465 S HA 0.376 4.844 4.470 -0.003 0.000 0.315 465 S C 0.743 175.601 174.600 0.430 0.000 1.087 465 S CA -0.540 58.005 58.200 0.574 0.000 0.877 465 S CB 0.335 63.759 63.200 0.374 0.000 1.340 465 S HN 0.418 nan 8.310 nan 0.000 0.622 466 F N 2.080 121.889 119.950 -0.235 0.000 2.126 466 F HA -0.025 4.500 4.527 -0.003 0.000 0.299 466 F C 1.919 177.454 175.800 -0.442 0.000 1.096 466 F CA 2.464 59.879 58.000 -0.975 0.000 1.255 466 F CB -0.651 37.527 39.000 -1.370 0.000 0.997 466 F HN 0.656 nan 8.300 nan 0.000 0.479 467 E N 0.131 120.156 120.200 -0.292 0.000 2.070 467 E HA -0.277 4.071 4.350 -0.003 0.000 0.197 467 E C 2.100 178.575 176.600 -0.209 0.000 1.004 467 E CA 1.912 58.153 56.400 -0.265 0.000 0.805 467 E CB -0.396 29.280 29.700 -0.040 0.000 0.744 467 E HN 0.430 nan 8.360 nan 0.000 0.451 468 Q N -0.056 119.728 119.800 -0.027 0.000 2.084 468 Q HA -0.107 4.231 4.340 -0.003 0.000 0.202 468 Q C 2.101 178.112 176.000 0.018 0.000 0.978 468 Q CA 0.850 56.686 55.803 0.056 0.000 0.844 468 Q CB -0.335 28.530 28.738 0.212 0.000 0.898 468 Q HN 0.236 nan 8.270 nan 0.000 0.426 469 L N -0.255 120.900 121.223 -0.113 0.000 2.012 469 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 469 L C 1.899 178.578 176.870 -0.318 0.000 1.073 469 L CA 1.850 56.454 54.840 -0.392 0.000 0.748 469 L CB -0.788 40.916 42.059 -0.592 0.000 0.891 469 L HN 0.307 nan 8.230 nan 0.000 0.431 470 C N -0.547 118.411 119.300 -0.571 0.000 2.429 470 C HA -0.098 4.360 4.460 -0.003 0.000 0.277 470 C C 2.701 177.525 174.990 -0.276 0.000 1.262 470 C CA 0.746 59.359 59.018 -0.675 0.000 1.733 470 C CB -0.975 26.168 27.740 -0.995 0.000 2.010 470 C HN 0.602 nan 8.230 nan 0.000 0.483 471 I N 1.656 122.119 120.570 -0.179 0.000 2.163 471 I HA -0.216 3.952 4.170 -0.003 0.000 0.243 471 I C 2.190 178.294 176.117 -0.021 0.000 1.085 471 I CA 1.545 62.810 61.300 -0.059 0.000 1.347 471 I CB -0.482 37.478 38.000 -0.067 0.000 1.044 471 I HN 0.379 nan 8.210 nan 0.000 0.408 472 N N -0.181 118.470 118.700 -0.081 0.000 2.270 472 N HA -0.205 4.533 4.740 -0.003 0.000 0.181 472 N C 1.763 177.385 175.510 0.187 0.000 1.016 472 N CA 1.002 53.995 53.050 -0.096 0.000 0.870 472 N CB -0.476 37.681 38.487 -0.549 0.000 0.979 472 N HN 0.359 nan 8.380 nan 0.000 0.431 473 Y N 2.187 122.541 120.300 0.090 0.000 2.181 473 Y HA -0.158 4.390 4.550 -0.003 0.000 0.288 473 Y C 2.097 178.106 175.900 0.182 0.000 1.146 473 Y CA 1.450 59.659 58.100 0.181 0.000 1.164 473 Y CB -0.769 37.734 38.460 0.073 0.000 0.982 473 Y HN -0.012 nan 8.280 nan 0.000 0.515 474 T N 0.900 115.474 114.554 0.033 0.000 2.788 474 T HA -0.187 4.161 4.350 -0.003 0.000 0.268 474 T C 1.757 176.430 174.700 -0.044 0.000 1.044 474 T CA 1.576 63.637 62.100 -0.066 0.000 1.139 474 T CB -0.294 68.594 68.868 0.034 0.000 0.867 474 T HN 0.471 nan 8.240 nan 0.000 0.454 475 N N 0.651 119.404 118.700 0.088 0.000 2.188 475 N HA -0.098 4.640 4.740 -0.003 0.000 0.184 475 N C 2.041 177.560 175.510 0.016 0.000 1.018 475 N CA 1.024 54.162 53.050 0.146 0.000 0.858 475 N CB -0.141 38.587 38.487 0.403 0.000 0.989 475 N HN 0.450 nan 8.380 nan 0.000 0.426 476 E N 1.509 121.803 120.200 0.156 0.000 2.085 476 E HA -0.128 4.220 4.350 -0.003 0.000 0.194 476 E C 1.729 178.277 176.600 -0.087 0.000 0.994 476 E CA 1.220 57.644 56.400 0.040 0.000 0.801 476 E CB 0.193 30.132 29.700 0.398 0.000 0.743 476 E HN 0.054 nan 8.360 nan 0.000 0.453 477 K N -0.021 120.307 120.400 -0.119 0.000 2.097 477 K HA -0.112 4.206 4.320 -0.003 0.000 0.205 477 K C 2.112 178.675 176.600 -0.061 0.000 1.050 477 K CA 0.672 56.876 56.287 -0.139 0.000 0.938 477 K CB -0.445 31.860 32.500 -0.325 0.000 0.718 477 K HN 0.215 nan 8.250 nan 0.000 0.442 478 L N 1.660 122.832 121.223 -0.085 0.000 2.093 478 L HA -0.159 4.179 4.340 -0.003 0.000 0.208 478 L C 2.463 179.347 176.870 0.023 0.000 1.085 478 L CA 1.745 56.583 54.840 -0.004 0.000 0.755 478 L CB -0.590 41.457 42.059 -0.020 0.000 0.904 478 L HN 0.091 nan 8.230 nan 0.000 0.435 479 Q N -0.511 119.174 119.800 -0.192 0.000 2.050 479 Q HA -0.278 4.060 4.340 -0.003 0.000 0.202 479 Q C 2.329 178.314 176.000 -0.025 0.000 0.980 479 Q CA 2.052 57.701 55.803 -0.256 0.000 0.840 479 Q CB -0.390 27.888 28.738 -0.767 0.000 0.898 479 Q HN 0.568 nan 8.270 nan 0.000 0.424 480 Q N -0.933 118.867 119.800 -0.001 0.000 2.152 480 Q HA -0.154 4.184 4.340 -0.003 0.000 0.206 480 Q C 1.637 177.749 176.000 0.186 0.000 0.985 480 Q CA 1.759 57.620 55.803 0.097 0.000 0.863 480 Q CB -0.520 28.270 28.738 0.088 0.000 0.904 480 Q HN 0.517 nan 8.270 nan 0.000 0.422 481 F N -0.741 119.253 119.950 0.074 0.000 2.186 481 F HA -0.106 4.419 4.527 -0.003 0.000 0.299 481 F C 1.702 177.612 175.800 0.184 0.000 1.090 481 F CA 1.078 59.186 58.000 0.180 0.000 1.307 481 F CB -0.415 38.673 39.000 0.147 0.000 1.019 481 F HN 0.226 nan 8.300 nan 0.000 0.489 482 F N 1.534 121.400 119.950 -0.140 0.000 2.069 482 F HA -0.285 4.240 4.527 -0.003 0.000 0.298 482 F C 2.181 177.686 175.800 -0.493 0.000 1.113 482 F CA 2.130 59.697 58.000 -0.721 0.000 1.214 482 F CB -0.773 37.713 39.000 -0.857 0.000 0.978 482 F HN -0.085 nan 8.300 nan 0.000 0.474 483 N N -0.427 118.233 118.700 -0.065 0.000 2.149 483 N HA -0.259 4.479 4.740 -0.003 0.000 0.188 483 N C 2.024 177.499 175.510 -0.058 0.000 1.019 483 N CA 1.702 54.792 53.050 0.067 0.000 0.857 483 N CB -1.081 37.573 38.487 0.278 0.000 0.997 483 N HN 0.568 nan 8.380 nan 0.000 0.426 484 H N -0.242 118.731 119.070 -0.161 0.000 2.299 484 H HA -0.062 4.492 4.556 -0.003 0.000 0.302 484 H C 1.315 176.423 175.328 -0.367 0.000 1.078 484 H CA 1.537 57.480 56.048 -0.176 0.000 1.323 484 H CB 0.094 29.785 29.762 -0.118 0.000 1.381 484 H HN 0.297 nan 8.280 nan 0.000 0.498 485 H N -0.917 117.806 119.070 -0.579 0.000 2.495 485 H HA -0.032 4.522 4.556 -0.003 0.000 0.287 485 H C 2.087 177.017 175.328 -0.663 0.000 1.033 485 H CA 1.184 56.863 56.048 -0.615 0.000 1.307 485 H CB 0.369 29.839 29.762 -0.487 0.000 1.401 485 H HN 0.308 nan 8.280 nan 0.000 0.555 486 M N -1.361 117.697 119.600 -0.903 0.000 2.429 486 M HA 0.064 4.542 4.480 -0.003 0.000 0.265 486 M C 0.880 176.537 176.300 -1.073 0.000 1.120 486 M CA 1.091 55.656 55.300 -1.225 0.000 1.173 486 M CB -0.257 30.987 32.600 -2.260 0.000 1.343 486 M HN 0.221 nan 8.290 nan 0.000 0.464 487 F N -0.844 118.866 119.950 -0.400 0.000 2.557 487 F HA 0.117 4.642 4.527 -0.003 0.000 0.278 487 F C 2.538 178.269 175.800 -0.114 0.000 1.051 487 F CA 0.469 58.318 58.000 -0.252 0.000 1.357 487 F CB -1.067 37.815 39.000 -0.196 0.000 1.104 487 F HN -0.059 nan 8.300 nan 0.000 0.654 488 K N 1.078 121.496 120.400 0.030 0.000 2.044 488 K HA 0.111 4.429 4.320 -0.003 0.000 0.204 488 K C 2.034 178.554 176.600 -0.133 0.000 1.045 488 K CA 0.927 57.250 56.287 0.060 0.000 0.951 488 K CB -0.920 31.657 32.500 0.129 0.000 0.738 488 K HN 0.370 nan 8.250 nan 0.000 0.443 489 L N 0.896 121.878 121.223 -0.402 0.000 2.046 489 L HA -0.113 4.225 4.340 -0.003 0.000 0.208 489 L C 2.957 179.596 176.870 -0.384 0.000 1.077 489 L CA 2.080 56.642 54.840 -0.464 0.000 0.747 489 L CB -0.576 41.035 42.059 -0.748 0.000 0.896 489 L HN 0.405 nan 8.230 nan 0.000 0.432 490 E N 0.377 120.323 120.200 -0.423 0.000 2.049 490 E HA -0.270 4.078 4.350 -0.003 0.000 0.198 490 E C 2.184 178.263 176.600 -0.867 0.000 1.007 490 E CA 1.741 57.809 56.400 -0.554 0.000 0.809 490 E CB -0.078 29.345 29.700 -0.462 0.000 0.749 490 E HN 0.424 nan 8.360 nan 0.000 0.450 491 Q N -0.362 119.142 119.800 -0.492 0.000 2.172 491 Q HA -0.106 4.232 4.340 -0.003 0.000 0.200 491 Q C 2.155 178.072 176.000 -0.137 0.000 0.964 491 Q CA 1.182 56.785 55.803 -0.332 0.000 0.855 491 Q CB -0.059 28.856 28.738 0.296 0.000 0.918 491 Q HN 0.428 nan 8.270 nan 0.000 0.444 492 E N 0.777 120.922 120.200 -0.092 0.000 2.160 492 E HA -0.231 4.117 4.350 -0.003 0.000 0.195 492 E C 1.771 178.326 176.600 -0.075 0.000 0.991 492 E CA 1.020 57.394 56.400 -0.044 0.000 0.810 492 E CB 0.097 29.768 29.700 -0.048 0.000 0.742 492 E HN 0.221 nan 8.360 nan 0.000 0.466 493 E N 0.101 120.194 120.200 -0.178 0.000 2.072 493 E HA -0.186 4.162 4.350 -0.003 0.000 0.191 493 E C 1.479 178.083 176.600 0.006 0.000 0.985 493 E CA 1.183 57.542 56.400 -0.068 0.000 0.801 493 E CB -0.186 29.477 29.700 -0.061 0.000 0.750 493 E HN 0.289 nan 8.360 nan 0.000 0.452 494 Y N -0.070 120.103 120.300 -0.212 0.000 2.256 494 Y HA -0.107 4.441 4.550 -0.003 0.000 0.288 494 Y C 2.060 177.858 175.900 -0.169 0.000 1.155 494 Y CA 0.698 58.562 58.100 -0.392 0.000 1.203 494 Y CB -0.788 37.309 38.460 -0.604 0.000 0.980 494 Y HN 0.092 nan 8.280 nan 0.000 0.530 495 L N 0.375 121.664 121.223 0.109 0.000 2.044 495 L HA -0.080 4.258 4.340 -0.003 0.000 0.205 495 L C 2.546 179.455 176.870 0.065 0.000 1.075 495 L CA 2.365 57.272 54.840 0.113 0.000 0.747 495 L CB -1.214 40.917 42.059 0.121 0.000 0.903 495 L HN 0.140 nan 8.230 nan 0.000 0.435 496 K N -0.527 119.903 120.400 0.050 0.000 2.555 496 K HA 0.009 4.327 4.320 -0.003 0.000 0.193 496 K C 1.152 177.791 176.600 0.066 0.000 1.032 496 K CA 1.074 57.391 56.287 0.050 0.000 1.004 496 K CB -0.480 32.044 32.500 0.041 0.000 0.804 496 K HN 0.375 nan 8.250 nan 0.000 0.496 497 E N 0.008 120.241 120.200 0.054 0.000 2.968 497 E HA 0.032 4.380 4.350 -0.003 0.000 0.202 497 E C -0.956 175.640 176.600 -0.008 0.000 0.979 497 E CA -0.198 56.239 56.400 0.062 0.000 1.192 497 E CB 0.488 30.275 29.700 0.144 0.000 1.059 497 E HN 0.363 nan 8.360 nan 0.000 0.470 498 K N 0.161 120.569 120.400 0.013 0.000 4.889 498 K HA -0.165 4.153 4.320 -0.003 0.000 0.283 498 K C 0.702 177.282 176.600 -0.033 0.000 0.677 498 K CA 0.588 56.885 56.287 0.016 0.000 0.756 498 K CB -2.346 30.177 32.500 0.039 0.000 2.093 498 K HN 0.223 nan 8.250 nan 0.000 0.371 499 I N 1.563 122.068 120.570 -0.108 0.000 3.927 499 I HA 0.125 4.293 4.170 -0.003 0.000 0.332 499 I C -0.186 175.855 176.117 -0.126 0.000 1.485 499 I CA -0.488 60.676 61.300 -0.226 0.000 1.131 499 I CB -1.169 36.445 38.000 -0.643 0.000 1.092 499 I HN 0.942 nan 8.210 nan 0.000 0.410 500 N N 1.884 120.585 118.700 0.002 0.000 2.482 500 N HA -0.215 4.523 4.740 -0.003 0.000 0.288 500 N C -1.011 174.593 175.510 0.156 0.000 1.319 500 N CA 1.034 54.118 53.050 0.056 0.000 0.671 500 N CB -1.190 37.313 38.487 0.027 0.000 0.911 500 N HN 0.811 nan 8.380 nan 0.000 0.531 501 W N 2.634 123.922 121.300 -0.021 0.000 3.089 501 W HA 0.248 4.906 4.660 -0.003 0.000 0.333 501 W C -1.069 175.503 176.519 0.088 0.000 1.053 501 W CA -0.348 57.015 57.345 0.031 0.000 1.257 501 W CB 1.402 30.885 29.460 0.038 0.000 1.281 501 W HN 0.149 nan 8.180 nan 0.000 0.427 502 T N 6.358 120.668 114.554 -0.407 0.000 2.761 502 T HA 0.093 4.441 4.350 -0.003 0.000 0.296 502 T C -0.158 174.194 174.700 -0.580 0.000 0.934 502 T CA 0.056 61.955 62.100 -0.335 0.000 1.091 502 T CB 0.204 68.929 68.868 -0.238 0.000 0.896 502 T HN 0.279 nan 8.240 nan 0.000 0.515 503 F N 5.247 125.050 119.950 -0.246 0.000 2.607 503 F HA 0.275 4.800 4.527 -0.003 0.000 0.374 503 F C -0.184 175.516 175.800 -0.166 0.000 1.104 503 F CA -0.372 57.606 58.000 -0.037 0.000 1.296 503 F CB 0.116 39.176 39.000 0.101 0.000 1.085 503 F HN 0.424 nan 8.300 nan 0.000 0.584 504 I N 5.380 125.360 120.570 -0.983 0.000 2.412 504 I HA 0.173 4.341 4.170 -0.003 0.000 0.296 504 I C -0.678 174.611 176.117 -1.379 0.000 0.987 504 I CA -0.928 59.758 61.300 -1.023 0.000 1.180 504 I CB 1.453 38.839 38.000 -1.024 0.000 1.340 504 I HN 0.468 nan 8.210 nan 0.000 0.455 505 D N 5.314 125.230 120.400 -0.806 0.000 2.380 505 D HA 0.189 4.827 4.640 -0.003 0.000 0.230 505 D C 0.308 176.345 176.300 -0.438 0.000 1.154 505 D CA -0.084 53.666 54.000 -0.416 0.000 0.859 505 D CB 0.555 41.321 40.800 -0.056 0.000 1.045 505 D HN 0.277 nan 8.370 nan 0.000 0.495 506 F N 1.557 121.338 119.950 -0.282 0.000 2.811 506 F HA 0.180 4.705 4.527 -0.003 0.000 0.301 506 F C 2.180 177.822 175.800 -0.263 0.000 1.151 506 F CA 0.334 58.118 58.000 -0.361 0.000 1.412 506 F CB -0.065 38.480 39.000 -0.757 0.000 1.113 506 F HN 0.611 nan 8.300 nan 0.000 0.579 507 G N 1.486 110.276 108.800 -0.016 0.000 2.341 507 G HA2 -0.311 3.647 3.960 -0.003 0.000 0.292 507 G HA3 -0.311 3.647 3.960 -0.003 0.000 0.292 507 G C -0.126 174.788 174.900 0.022 0.000 1.021 507 G CA 0.068 45.174 45.100 0.011 0.000 0.905 507 G HN 0.363 nan 8.290 nan 0.000 0.508 508 L N 0.371 121.606 121.223 0.020 0.000 2.377 508 L HA 0.574 4.912 4.340 -0.003 0.000 0.270 508 L C -0.922 176.008 176.870 0.100 0.000 0.991 508 L CA -0.789 54.081 54.840 0.050 0.000 0.851 508 L CB 1.941 44.012 42.059 0.020 0.000 1.218 508 L HN 0.106 nan 8.230 nan 0.000 0.420 509 D N 0.630 121.096 120.400 0.109 0.000 2.763 509 D HA 0.244 4.883 4.640 -0.003 0.000 0.235 509 D C -0.104 176.269 176.300 0.121 0.000 1.334 509 D CA -0.206 53.866 54.000 0.120 0.000 0.950 509 D CB 2.237 43.108 40.800 0.118 0.000 1.433 509 D HN 0.161 nan 8.370 nan 0.000 0.580 510 S N 2.132 117.907 115.700 0.124 0.000 2.556 510 S HA -0.043 4.425 4.470 -0.003 0.000 0.216 510 S C 1.405 176.087 174.600 0.138 0.000 0.970 510 S CA -0.115 58.168 58.200 0.138 0.000 0.912 510 S CB 0.420 63.690 63.200 0.116 0.000 0.790 510 S HN 0.417 nan 8.310 nan 0.000 0.504 511 Q N 2.720 122.592 119.800 0.120 0.000 2.050 511 Q HA 0.018 4.356 4.340 -0.003 0.000 0.202 511 Q C 2.081 178.144 176.000 0.105 0.000 0.980 511 Q CA 2.005 57.875 55.803 0.111 0.000 0.840 511 Q CB -0.632 28.164 28.738 0.096 0.000 0.898 511 Q HN 0.503 nan 8.270 nan 0.000 0.424 512 A N -0.940 121.937 122.820 0.095 0.000 1.908 512 A HA -0.197 4.121 4.320 -0.003 0.000 0.218 512 A C 2.289 179.915 177.584 0.071 0.000 1.181 512 A CA 2.102 54.185 52.037 0.078 0.000 0.627 512 A CB -0.998 18.047 19.000 0.075 0.000 0.818 512 A HN 0.491 nan 8.150 nan 0.000 0.445 513 T N -0.052 114.561 114.554 0.098 0.000 2.812 513 T HA 0.002 4.350 4.350 -0.003 0.000 0.264 513 T C 1.796 176.572 174.700 0.127 0.000 1.042 513 T CA 1.273 63.430 62.100 0.094 0.000 1.140 513 T CB -0.338 68.613 68.868 0.138 0.000 0.870 513 T HN 0.400 nan 8.240 nan 0.000 0.445 514 I N 1.439 122.125 120.570 0.194 0.000 2.179 514 I HA -0.195 3.973 4.170 -0.003 0.000 0.242 514 I C 2.280 178.480 176.117 0.139 0.000 1.088 514 I CA 1.255 62.723 61.300 0.280 0.000 1.357 514 I CB -0.288 37.890 38.000 0.297 0.000 1.051 514 I HN 0.123 nan 8.210 nan 0.000 0.409 515 D N 0.506 120.959 120.400 0.089 0.000 2.117 515 D HA -0.174 4.464 4.640 -0.003 0.000 0.197 515 D C 2.003 178.286 176.300 -0.028 0.000 0.987 515 D CA 1.050 55.078 54.000 0.045 0.000 0.829 515 D CB -0.427 40.405 40.800 0.053 0.000 0.961 515 D HN 0.184 nan 8.370 nan 0.000 0.460 516 L N 0.677 121.854 121.223 -0.076 0.000 2.043 516 L HA -0.156 4.182 4.340 -0.003 0.000 0.212 516 L C 1.998 178.699 176.870 -0.281 0.000 1.075 516 L CA 1.573 56.264 54.840 -0.248 0.000 0.752 516 L CB -0.439 41.483 42.059 -0.229 0.000 0.891 516 L HN 0.009 nan 8.230 nan 0.000 0.432 517 I N -0.129 120.324 120.570 -0.194 0.000 2.277 517 I HA -0.126 4.042 4.170 -0.003 0.000 0.243 517 I C 1.469 177.414 176.117 -0.288 0.000 1.094 517 I CA 1.425 62.562 61.300 -0.271 0.000 1.393 517 I CB -0.368 37.377 38.000 -0.424 0.000 1.078 517 I HN 0.442 nan 8.210 nan 0.000 0.417 518 D N 0.366 120.612 120.400 -0.256 0.000 2.469 518 D HA 0.077 4.715 4.640 -0.003 0.000 0.215 518 D C 0.910 177.210 176.300 -0.001 0.000 1.154 518 D CA -0.140 53.782 54.000 -0.130 0.000 0.832 518 D CB -0.396 40.351 40.800 -0.088 0.000 1.008 518 D HN 0.077 nan 8.370 nan 0.000 0.506 519 G N -0.264 108.538 108.800 0.004 0.000 2.464 519 G HA2 0.283 4.241 3.960 -0.003 0.000 0.231 519 G HA3 0.283 4.241 3.960 -0.003 0.000 0.231 519 G C 0.992 175.921 174.900 0.048 0.000 1.267 519 G CA 0.283 45.408 45.100 0.042 0.000 0.863 519 G HN 0.487 nan 8.290 nan 0.000 0.559 520 R N 0.272 120.803 120.500 0.052 0.000 2.167 520 R HA 0.387 4.725 4.340 -0.003 0.000 0.201 520 R C 1.158 177.485 176.300 0.045 0.000 1.024 520 R CA 1.475 57.602 56.100 0.045 0.000 1.053 520 R CB -0.101 30.225 30.300 0.043 0.000 0.987 520 R HN 0.674 nan 8.270 nan 0.000 0.493 521 Q N 1.208 121.038 119.800 0.049 0.000 2.350 521 Q HA 0.398 4.736 4.340 -0.003 0.000 0.255 521 Q C -2.718 173.315 176.000 0.056 0.000 0.951 521 Q CA -2.123 53.709 55.803 0.049 0.000 0.751 521 Q CB 1.873 30.632 28.738 0.035 0.000 1.296 521 Q HN 0.411 nan 8.270 nan 0.000 0.453 522 P HA 0.246 nan 4.420 nan 0.000 0.266 522 P C -2.598 174.770 177.300 0.112 0.000 1.195 522 P CA -0.990 62.167 63.100 0.095 0.000 0.768 522 P CB -0.066 31.708 31.700 0.122 0.000 0.838 523 P HA 0.079 nan 4.420 nan 0.000 0.268 523 P C 0.516 177.912 177.300 0.161 0.000 1.204 523 P CA 0.315 63.454 63.100 0.064 0.000 0.768 523 P CB 0.480 32.165 31.700 -0.024 0.000 0.842 524 G N 1.712 110.585 108.800 0.120 0.000 2.532 524 G HA2 0.278 4.236 3.960 -0.003 0.000 0.291 524 G HA3 0.278 4.236 3.960 -0.003 0.000 0.291 524 G C 1.136 176.107 174.900 0.118 0.000 1.349 524 G CA -0.847 44.317 45.100 0.107 0.000 1.038 524 G HN 0.371 nan 8.290 nan 0.000 0.518 525 I N -0.397 120.154 120.570 -0.031 0.000 2.151 525 I HA -0.208 3.960 4.170 -0.003 0.000 0.243 525 I C 2.645 178.796 176.117 0.055 0.000 1.080 525 I CA 1.108 62.418 61.300 0.017 0.000 1.339 525 I CB -0.197 37.768 38.000 -0.058 0.000 1.039 525 I HN 0.290 nan 8.210 nan 0.000 0.409 526 L N 0.139 121.380 121.223 0.030 0.000 2.093 526 L HA -0.157 4.181 4.340 -0.003 0.000 0.208 526 L C 2.821 179.724 176.870 0.055 0.000 1.085 526 L CA 1.128 56.008 54.840 0.066 0.000 0.755 526 L CB -0.718 41.363 42.059 0.037 0.000 0.904 526 L HN 0.248 nan 8.230 nan 0.000 0.435 527 A N 0.295 123.133 122.820 0.030 0.000 1.898 527 A HA -0.134 4.184 4.320 -0.003 0.000 0.216 527 A C 2.232 179.805 177.584 -0.019 0.000 1.181 527 A CA 1.268 53.314 52.037 0.014 0.000 0.620 527 A CB -0.601 18.405 19.000 0.011 0.000 0.819 527 A HN 0.345 nan 8.150 nan 0.000 0.442 528 L N -0.969 120.225 121.223 -0.048 0.000 2.093 528 L HA -0.138 4.200 4.340 -0.003 0.000 0.208 528 L C 2.521 179.362 176.870 -0.048 0.000 1.085 528 L CA 0.928 55.700 54.840 -0.114 0.000 0.755 528 L CB -0.543 41.383 42.059 -0.222 0.000 0.904 528 L HN 0.463 nan 8.230 nan 0.000 0.435 529 L N 0.073 121.302 121.223 0.011 0.000 2.012 529 L HA -0.238 4.100 4.340 -0.003 0.000 0.210 529 L C 2.027 178.911 176.870 0.024 0.000 1.073 529 L CA 1.939 56.806 54.840 0.045 0.000 0.748 529 L CB -0.695 41.426 42.059 0.105 0.000 0.891 529 L HN 0.174 nan 8.230 nan 0.000 0.431 530 D N -0.284 120.131 120.400 0.025 0.000 2.104 530 D HA -0.218 4.420 4.640 -0.003 0.000 0.194 530 D C 2.127 178.442 176.300 0.025 0.000 0.994 530 D CA 1.525 55.541 54.000 0.028 0.000 0.830 530 D CB -0.062 40.760 40.800 0.038 0.000 0.959 530 D HN 0.510 nan 8.370 nan 0.000 0.452 531 E N 0.049 120.252 120.200 0.005 0.000 2.049 531 E HA -0.203 4.145 4.350 -0.003 0.000 0.198 531 E C 2.107 178.733 176.600 0.042 0.000 1.007 531 E CA 0.953 57.351 56.400 -0.004 0.000 0.809 531 E CB 0.122 29.787 29.700 -0.058 0.000 0.749 531 E HN 0.227 nan 8.360 nan 0.000 0.450 532 Q N -0.126 119.704 119.800 0.050 0.000 2.170 532 Q HA -0.092 4.246 4.340 -0.003 0.000 0.203 532 Q C 2.271 178.353 176.000 0.137 0.000 0.976 532 Q CA 0.903 56.785 55.803 0.133 0.000 0.858 532 Q CB -0.081 28.708 28.738 0.084 0.000 0.907 532 Q HN 0.133 nan 8.270 nan 0.000 0.433 533 S N 0.482 116.228 115.700 0.077 0.000 2.423 533 S HA -0.082 4.386 4.470 -0.003 0.000 0.231 533 S C 1.859 176.499 174.600 0.066 0.000 1.014 533 S CA 1.158 59.390 58.200 0.054 0.000 0.965 533 S CB 0.061 63.277 63.200 0.027 0.000 0.785 533 S HN 0.418 nan 8.310 nan 0.000 0.495 534 V N -2.042 117.927 119.914 0.092 0.000 3.578 534 V HA 0.456 4.574 4.120 -0.003 0.000 0.290 534 V C 0.128 176.316 176.094 0.156 0.000 1.376 534 V CA -0.490 61.864 62.300 0.090 0.000 1.083 534 V CB -0.711 31.152 31.823 0.067 0.000 0.911 534 V HN 0.289 nan 8.190 nan 0.000 0.433 535 F N 3.680 123.624 119.950 -0.010 0.000 2.413 535 F HA 0.597 5.123 4.527 -0.003 0.000 0.359 535 F C -1.545 174.250 175.800 -0.009 0.000 1.122 535 F CA -3.215 54.778 58.000 -0.011 0.000 1.160 535 F CB 1.572 40.562 39.000 -0.016 0.000 1.146 535 F HN -0.004 nan 8.300 nan 0.000 0.514 536 P HA -0.128 nan 4.420 nan 0.000 0.219 536 P C 0.455 177.478 177.300 -0.461 0.000 1.146 536 P CA 1.290 64.224 63.100 -0.276 0.000 0.808 536 P CB 0.274 31.883 31.700 -0.151 0.000 0.779 537 N N -0.915 117.218 118.700 -0.945 0.000 2.270 537 N HA 0.141 4.879 4.740 -0.003 0.000 0.198 537 N C 0.455 175.629 175.510 -0.560 0.000 1.117 537 N CA -0.014 52.612 53.050 -0.707 0.000 0.845 537 N CB -0.084 38.023 38.487 -0.633 0.000 0.980 537 N HN 0.054 nan 8.380 nan 0.000 0.486 538 A N 1.092 123.590 122.820 -0.535 0.000 2.462 538 A HA 0.400 4.718 4.320 -0.003 0.000 0.243 538 A C 0.874 178.416 177.584 -0.069 0.000 1.076 538 A CA 0.095 52.059 52.037 -0.120 0.000 0.773 538 A CB 0.085 19.128 19.000 0.071 0.000 1.010 538 A HN 0.276 nan 8.150 nan 0.000 0.493 539 T N -1.286 113.258 114.554 -0.016 0.000 2.887 539 T HA 0.460 4.808 4.350 -0.003 0.000 0.292 539 T C 0.115 174.815 174.700 -0.001 0.000 1.087 539 T CA -0.477 61.613 62.100 -0.016 0.000 1.009 539 T CB 1.258 70.113 68.868 -0.022 0.000 1.203 539 T HN 0.406 nan 8.240 nan 0.000 0.518 540 D N 0.410 120.808 120.400 -0.003 0.000 2.221 540 D HA -0.113 4.525 4.640 -0.003 0.000 0.204 540 D C 1.699 177.978 176.300 -0.036 0.000 0.982 540 D CA 1.249 55.242 54.000 -0.012 0.000 0.857 540 D CB -0.247 40.551 40.800 -0.003 0.000 0.934 540 D HN 0.647 nan 8.370 nan 0.000 0.475 541 N N -0.040 118.646 118.700 -0.023 0.000 2.270 541 N HA -0.120 4.618 4.740 -0.003 0.000 0.181 541 N C 1.666 177.164 175.510 -0.019 0.000 1.016 541 N CA 1.894 54.931 53.050 -0.023 0.000 0.870 541 N CB -0.047 38.435 38.487 -0.008 0.000 0.979 541 N HN 0.185 nan 8.380 nan 0.000 0.431 542 T N -1.683 112.872 114.554 0.001 0.000 2.985 542 T HA -0.062 4.286 4.350 -0.003 0.000 0.266 542 T C 1.878 176.575 174.700 -0.005 0.000 1.076 542 T CA 0.706 62.820 62.100 0.024 0.000 1.135 542 T CB -0.436 68.488 68.868 0.092 0.000 0.890 542 T HN 0.148 nan 8.240 nan 0.000 0.480 543 L N 0.755 121.965 121.223 -0.021 0.000 1.994 543 L HA 0.154 4.492 4.340 -0.003 0.000 0.208 543 L C 2.311 179.094 176.870 -0.146 0.000 1.071 543 L CA 1.512 56.316 54.840 -0.059 0.000 0.745 543 L CB -1.020 41.017 42.059 -0.036 0.000 0.892 543 L HN 0.254 nan 8.230 nan 0.000 0.431 544 I N -0.617 119.845 120.570 -0.180 0.000 2.226 544 I HA -0.274 3.894 4.170 -0.003 0.000 0.245 544 I C 2.266 178.143 176.117 -0.400 0.000 1.100 544 I CA 2.029 63.133 61.300 -0.326 0.000 1.374 544 I CB -0.677 37.167 38.000 -0.261 0.000 1.057 544 I HN 0.371 nan 8.210 nan 0.000 0.413 545 T N 0.459 114.906 114.554 -0.179 0.000 2.665 545 T HA -0.284 4.064 4.350 -0.003 0.000 0.268 545 T C 1.921 176.582 174.700 -0.066 0.000 1.035 545 T CA 2.043 64.103 62.100 -0.066 0.000 1.151 545 T CB -0.325 68.537 68.868 -0.009 0.000 0.862 545 T HN 0.223 nan 8.240 nan 0.000 0.438 546 K N 1.237 121.585 120.400 -0.087 0.000 2.026 546 K HA 0.022 4.340 4.320 -0.003 0.000 0.208 546 K C 2.117 178.624 176.600 -0.155 0.000 1.048 546 K CA 1.307 57.543 56.287 -0.084 0.000 0.929 546 K CB -0.784 31.655 32.500 -0.101 0.000 0.713 546 K HN 0.327 nan 8.250 nan 0.000 0.439 547 L N 0.037 121.127 121.223 -0.221 0.000 1.989 547 L HA -0.237 4.101 4.340 -0.003 0.000 0.211 547 L C 2.568 179.342 176.870 -0.160 0.000 1.071 547 L CA 1.603 56.304 54.840 -0.232 0.000 0.749 547 L CB -0.943 40.960 42.059 -0.260 0.000 0.890 547 L HN 0.372 nan 8.230 nan 0.000 0.431 548 H N -0.998 118.075 119.070 0.006 0.000 2.387 548 H HA -0.154 4.400 4.556 -0.004 0.000 0.299 548 H C 2.609 177.884 175.328 -0.088 0.000 1.099 548 H CA 1.531 57.617 56.048 0.062 0.000 1.315 548 H CB -0.440 29.391 29.762 0.115 0.000 1.380 548 H HN 0.258 nan 8.280 nan 0.000 0.513 549 S N -0.201 115.503 115.700 0.006 0.000 2.359 549 S HA -0.173 4.295 4.470 -0.003 0.000 0.224 549 S C 1.938 176.386 174.600 -0.253 0.000 1.035 549 S CA 1.045 59.192 58.200 -0.089 0.000 1.018 549 S CB -0.214 62.943 63.200 -0.070 0.000 0.876 549 S HN 0.585 nan 8.310 nan 0.000 0.448 550 H N -1.683 117.059 119.070 -0.547 0.000 2.462 550 H HA 0.038 4.592 4.556 -0.002 0.000 0.292 550 H C 0.893 175.697 175.328 -0.873 0.000 1.049 550 H CA 1.411 56.941 56.048 -0.862 0.000 1.334 550 H CB 0.113 29.007 29.762 -1.447 0.000 1.404 550 H HN 0.513 nan 8.280 nan 0.000 0.544 551 F N -0.757 119.019 119.950 -0.291 0.000 2.819 551 F HA 0.140 4.665 4.527 -0.002 0.000 0.325 551 F C 1.218 176.844 175.800 -0.290 0.000 1.041 551 F CA -0.375 57.331 58.000 -0.490 0.000 1.184 551 F CB -0.001 38.279 39.000 -1.200 0.000 1.019 551 F HN -0.226 nan 8.300 nan 0.000 0.590 552 S N 2.416 118.118 115.700 0.004 0.000 2.537 552 S HA 0.127 4.595 4.470 -0.003 0.000 0.286 552 S C 0.885 175.564 174.600 0.132 0.000 1.299 552 S CA -0.276 58.070 58.200 0.244 0.000 1.067 552 S CB -0.001 63.318 63.200 0.200 0.000 0.864 552 S HN 0.311 nan 8.310 nan 0.000 0.494 553 K N 2.656 123.148 120.400 0.153 0.000 3.048 553 K HA -0.209 4.109 4.320 -0.003 0.000 0.274 553 K C 0.327 176.974 176.600 0.079 0.000 1.098 553 K CA 1.764 58.108 56.287 0.095 0.000 0.807 553 K CB -2.006 30.525 32.500 0.053 0.000 1.217 553 K HN 0.795 nan 8.250 nan 0.000 0.477 554 K N -0.654 119.808 120.400 0.103 0.000 2.585 554 K HA 0.090 4.408 4.320 -0.003 0.000 0.198 554 K C 0.492 177.163 176.600 0.119 0.000 1.403 554 K CA -0.350 55.987 56.287 0.083 0.000 1.021 554 K CB 0.333 32.860 32.500 0.044 0.000 1.558 554 K HN 0.080 nan 8.250 nan 0.000 0.524 555 N N 1.082 119.884 118.700 0.171 0.000 2.426 555 N HA 0.171 4.909 4.740 -0.003 0.000 0.275 555 N C 0.291 175.899 175.510 0.164 0.000 1.019 555 N CA 0.124 53.269 53.050 0.158 0.000 0.941 555 N CB 1.808 40.378 38.487 0.139 0.000 1.123 555 N HN 0.182 nan 8.380 nan 0.000 0.486 556 A N 4.215 127.105 122.820 0.117 0.000 2.070 556 A HA -0.093 4.225 4.320 -0.003 0.000 0.220 556 A C 1.471 179.119 177.584 0.106 0.000 1.159 556 A CA 1.235 53.334 52.037 0.103 0.000 0.656 556 A CB 0.010 19.058 19.000 0.079 0.000 0.800 556 A HN 0.605 nan 8.150 nan 0.000 0.453 557 K N -1.678 118.789 120.400 0.111 0.000 2.374 557 K HA 0.167 4.485 4.320 -0.003 0.000 0.196 557 K C -0.637 176.050 176.600 0.145 0.000 1.023 557 K CA -0.056 56.290 56.287 0.097 0.000 1.103 557 K CB -0.142 32.395 32.500 0.063 0.000 0.848 557 K HN 0.589 nan 8.250 nan 0.000 0.528 558 Y N 1.141 121.474 120.300 0.056 0.000 2.377 558 Y HA 0.323 4.871 4.550 -0.003 0.000 0.339 558 Y C -0.869 175.110 175.900 0.132 0.000 1.011 558 Y CA -1.013 57.152 58.100 0.108 0.000 1.093 558 Y CB 1.530 40.057 38.460 0.111 0.000 1.201 558 Y HN -0.045 nan 8.280 nan 0.000 0.455 559 E N 4.938 124.952 120.200 -0.311 0.000 2.246 559 E HA 0.175 4.523 4.350 -0.003 0.000 0.266 559 E C -1.617 174.772 176.600 -0.352 0.000 0.880 559 E CA -0.795 55.498 56.400 -0.178 0.000 0.762 559 E CB 1.327 30.989 29.700 -0.063 0.000 1.180 559 E HN 0.786 nan 8.360 nan 0.000 0.416 560 E N 6.348 126.466 120.200 -0.138 0.000 2.105 560 E HA 0.242 4.590 4.350 -0.003 0.000 0.285 560 E C -2.066 174.388 176.600 -0.243 0.000 1.055 560 E CA -2.010 54.232 56.400 -0.264 0.000 0.843 560 E CB 0.715 30.149 29.700 -0.442 0.000 1.067 560 E HN 0.256 nan 8.360 nan 0.000 0.398 561 P HA 0.063 nan 4.420 nan 0.000 0.271 561 P C -0.277 176.780 177.300 -0.406 0.000 1.218 561 P CA -0.093 62.748 63.100 -0.432 0.000 0.780 561 P CB 0.991 32.088 31.700 -1.006 0.000 0.901 562 R N 1.032 121.388 120.500 -0.240 0.000 2.246 562 R HA 0.073 4.411 4.340 -0.003 0.000 0.199 562 R C 1.560 177.798 176.300 -0.104 0.000 0.984 562 R CA 0.902 56.928 56.100 -0.123 0.000 1.015 562 R CB -0.377 29.923 30.300 0.001 0.000 0.930 562 R HN 0.546 nan 8.270 nan 0.000 0.475 563 F N -1.523 118.420 119.950 -0.012 0.000 2.765 563 F HA 0.375 4.901 4.527 -0.003 0.000 0.302 563 F C 0.264 176.064 175.800 0.001 0.000 1.111 563 F CA -0.617 57.379 58.000 -0.007 0.000 1.359 563 F CB 0.373 39.366 39.000 -0.012 0.000 1.097 563 F HN -0.274 nan 8.300 nan 0.000 0.577 564 S N -0.056 115.369 115.700 -0.459 0.000 2.535 564 S HA 0.370 4.838 4.470 -0.003 0.000 0.272 564 S C -0.144 174.344 174.600 -0.186 0.000 1.149 564 S CA -0.837 57.206 58.200 -0.262 0.000 0.888 564 S CB 1.497 64.511 63.200 -0.311 0.000 1.110 564 S HN 0.270 nan 8.310 nan 0.000 0.463 565 K N 1.385 121.750 120.400 -0.059 0.000 2.374 565 K HA 0.130 4.448 4.320 -0.003 0.000 0.196 565 K C 0.938 177.561 176.600 0.038 0.000 1.023 565 K CA 0.701 56.994 56.287 0.011 0.000 1.103 565 K CB 0.354 32.863 32.500 0.016 0.000 0.848 565 K HN 0.713 nan 8.250 nan 0.000 0.528 566 T N -2.246 112.310 114.554 0.003 0.000 3.132 566 T HA 0.248 4.596 4.350 -0.003 0.000 0.274 566 T C -0.007 174.682 174.700 -0.018 0.000 1.011 566 T CA -0.510 61.584 62.100 -0.010 0.000 0.899 566 T CB 0.198 69.058 68.868 -0.015 0.000 1.089 566 T HN -0.080 nan 8.240 nan 0.000 0.543 567 E N 1.031 121.231 120.200 0.001 0.000 2.312 567 E HA 0.653 5.001 4.350 -0.003 0.000 0.267 567 E C -1.385 175.283 176.600 0.112 0.000 0.894 567 E CA -1.252 55.135 56.400 -0.021 0.000 0.773 567 E CB 2.070 31.722 29.700 -0.079 0.000 1.241 567 E HN 0.465 nan 8.360 nan 0.000 0.432 568 F N -1.280 118.654 119.950 -0.026 0.000 2.576 568 F HA 0.790 5.316 4.527 -0.003 0.000 0.313 568 F C -0.172 175.575 175.800 -0.089 0.000 1.078 568 F CA -1.048 56.900 58.000 -0.087 0.000 0.921 568 F CB 1.234 40.194 39.000 -0.066 0.000 1.232 568 F HN 0.402 nan 8.300 nan 0.000 0.459 569 G N 1.393 110.105 108.800 -0.147 0.000 2.371 569 G HA2 0.594 4.552 3.960 -0.003 0.000 0.326 569 G HA3 0.594 4.552 3.960 -0.003 0.000 0.326 569 G C -1.805 173.102 174.900 0.012 0.000 1.127 569 G CA -1.001 44.034 45.100 -0.109 0.000 0.885 569 G HN 0.694 nan 8.290 nan 0.000 0.477 570 V N 1.157 121.136 119.914 0.108 0.000 2.495 570 V HA 0.392 4.510 4.120 -0.003 0.000 0.298 570 V C 0.186 176.271 176.094 -0.016 0.000 1.031 570 V CA -0.681 61.674 62.300 0.091 0.000 0.871 570 V CB 1.972 33.876 31.823 0.134 0.000 0.988 570 V HN 0.748 nan 8.190 nan 0.000 0.432 571 T N 5.026 119.565 114.554 -0.025 0.000 2.782 571 T HA 0.336 4.684 4.350 -0.003 0.000 0.298 571 T C -0.040 174.662 174.700 0.002 0.000 0.944 571 T CA -0.096 62.016 62.100 0.021 0.000 1.001 571 T CB -0.530 68.364 68.868 0.044 0.000 0.932 571 T HN 0.545 nan 8.240 nan 0.000 0.524 572 H N 1.911 121.089 119.070 0.179 0.000 2.499 572 H HA 0.114 4.669 4.556 -0.003 0.000 0.352 572 H C 1.219 176.591 175.328 0.073 0.000 1.237 572 H CA -0.625 55.555 56.048 0.220 0.000 1.343 572 H CB 0.728 30.700 29.762 0.350 0.000 1.578 572 H HN 0.711 nan 8.280 nan 0.000 0.577 573 Y N -0.053 120.330 120.300 0.138 0.000 2.151 573 Y HA -0.136 4.412 4.550 -0.003 0.000 0.284 573 Y C 1.931 177.744 175.900 -0.145 0.000 1.166 573 Y CA 1.242 59.338 58.100 -0.008 0.000 1.163 573 Y CB -0.813 37.636 38.460 -0.019 0.000 0.974 573 Y HN 0.457 nan 8.280 nan 0.000 0.511 574 A N 0.486 122.450 122.820 -1.426 0.000 2.251 574 A HA 0.560 4.878 4.320 -0.003 0.000 0.209 574 A C 1.242 178.423 177.584 -0.670 0.000 1.187 574 A CA 0.664 51.869 52.037 -1.387 0.000 0.823 574 A CB -1.068 16.384 19.000 -2.579 0.000 0.846 574 A HN 1.114 nan 8.150 nan 0.000 0.486 575 G N -1.408 107.223 108.800 -0.281 0.000 2.355 575 G HA2 0.122 4.080 3.960 -0.003 0.000 0.619 575 G HA3 0.122 4.080 3.960 -0.003 0.000 0.619 575 G C -0.737 174.249 174.900 0.145 0.000 1.337 575 G CA -0.461 44.614 45.100 -0.042 0.000 0.993 575 G HN 0.410 nan 8.290 nan 0.000 0.599 576 Q N -0.676 119.178 119.800 0.091 0.000 2.332 576 Q HA 0.527 4.865 4.340 -0.003 0.000 0.263 576 Q C -0.316 175.728 176.000 0.073 0.000 0.979 576 Q CA -0.308 55.550 55.803 0.092 0.000 0.885 576 Q CB 1.051 29.807 28.738 0.030 0.000 1.218 576 Q HN 0.600 nan 8.270 nan 0.000 0.405 577 V N 5.068 125.012 119.914 0.049 0.000 2.540 577 V HA 0.361 4.479 4.120 -0.003 0.000 0.302 577 V C -0.214 175.610 176.094 -0.451 0.000 1.035 577 V CA -0.843 61.309 62.300 -0.246 0.000 0.873 577 V CB 1.866 33.447 31.823 -0.403 0.000 0.992 577 V HN 0.860 nan 8.190 nan 0.000 0.428 578 M N 4.535 123.883 119.600 -0.420 0.000 2.108 578 M HA 0.461 4.939 4.480 -0.003 0.000 0.354 578 M C -1.184 174.783 176.300 -0.555 0.000 1.229 578 M CA -0.198 54.883 55.300 -0.365 0.000 1.081 578 M CB 0.809 33.367 32.600 -0.071 0.000 1.606 578 M HN 0.560 nan 8.290 nan 0.000 0.467 579 Y N 1.146 121.202 120.300 -0.405 0.000 2.331 579 Y HA 0.326 4.874 4.550 -0.003 0.000 0.338 579 Y C 0.456 176.150 175.900 -0.342 0.000 0.992 579 Y CA -0.892 56.983 58.100 -0.375 0.000 1.121 579 Y CB 0.942 39.021 38.460 -0.635 0.000 1.184 579 Y HN 0.505 nan 8.280 nan 0.000 0.469 580 E N 2.540 122.762 120.200 0.037 0.000 2.229 580 E HA 0.176 4.524 4.350 -0.003 0.000 0.283 580 E C -0.088 176.450 176.600 -0.104 0.000 1.030 580 E CA -0.037 56.364 56.400 0.003 0.000 0.836 580 E CB 0.887 30.636 29.700 0.081 0.000 1.068 580 E HN 0.647 nan 8.360 nan 0.000 0.401 581 I N 3.236 123.629 120.570 -0.294 0.000 3.419 581 I HA 0.011 4.180 4.170 -0.003 0.000 0.286 581 I C 0.836 176.824 176.117 -0.215 0.000 1.268 581 I CA 0.464 61.370 61.300 -0.658 0.000 1.414 581 I CB -0.366 37.405 38.000 -0.383 0.000 1.074 581 I HN 0.650 nan 8.210 nan 0.000 0.457 582 Q N 1.291 121.084 119.800 -0.011 0.000 2.269 582 Q HA -0.126 4.212 4.340 -0.003 0.000 0.300 582 Q C 0.014 176.137 176.000 0.205 0.000 1.070 582 Q CA 0.883 56.731 55.803 0.075 0.000 0.957 582 Q CB 0.163 28.928 28.738 0.045 0.000 1.131 582 Q HN 0.353 nan 8.270 nan 0.000 0.377 583 D N 2.489 122.979 120.400 0.150 0.000 3.077 583 D HA -0.232 4.406 4.640 -0.003 0.000 0.212 583 D C -0.137 176.291 176.300 0.213 0.000 1.125 583 D CA 0.956 55.043 54.000 0.145 0.000 0.970 583 D CB -1.235 39.623 40.800 0.096 0.000 1.110 583 D HN 0.689 nan 8.370 nan 0.000 0.419 584 W N 1.052 122.321 121.300 -0.052 0.000 2.363 584 W HA 0.069 4.727 4.660 -0.003 0.000 0.296 584 W C 2.523 178.910 176.519 -0.219 0.000 1.212 584 W CA 0.769 58.024 57.345 -0.150 0.000 1.260 584 W CB -0.815 28.588 29.460 -0.096 0.000 1.131 584 W HN 0.185 nan 8.180 nan 0.000 0.530 585 L N -0.305 120.970 121.223 0.086 0.000 2.056 585 L HA -0.185 4.153 4.340 -0.003 0.000 0.207 585 L C 2.467 179.320 176.870 -0.028 0.000 1.078 585 L CA 1.185 56.030 54.840 0.008 0.000 0.749 585 L CB -0.759 41.315 42.059 0.024 0.000 0.901 585 L HN -0.121 nan 8.230 nan 0.000 0.433 586 E N 0.540 120.735 120.200 -0.009 0.000 2.107 586 E HA -0.160 4.188 4.350 -0.003 0.000 0.191 586 E C 2.125 178.701 176.600 -0.040 0.000 0.982 586 E CA 0.982 57.374 56.400 -0.014 0.000 0.809 586 E CB -0.065 29.637 29.700 0.004 0.000 0.756 586 E HN 0.474 nan 8.360 nan 0.000 0.459 587 K N 0.775 121.128 120.400 -0.078 0.000 2.097 587 K HA -0.129 4.189 4.320 -0.003 0.000 0.206 587 K C 2.017 178.513 176.600 -0.172 0.000 1.049 587 K CA 1.228 57.450 56.287 -0.108 0.000 0.933 587 K CB -0.120 32.295 32.500 -0.142 0.000 0.717 587 K HN -0.039 nan 8.250 nan 0.000 0.442 588 N N 1.347 119.855 118.700 -0.319 0.000 2.216 588 N HA -0.104 4.634 4.740 -0.003 0.000 0.183 588 N C 1.252 176.718 175.510 -0.074 0.000 1.017 588 N CA 1.306 54.185 53.050 -0.286 0.000 0.861 588 N CB 0.187 38.453 38.487 -0.370 0.000 0.986 588 N HN 0.093 nan 8.380 nan 0.000 0.428 589 K N -0.330 120.044 120.400 -0.043 0.000 2.155 589 K HA -0.078 4.241 4.320 -0.003 0.000 0.203 589 K C -0.059 176.557 176.600 0.027 0.000 1.052 589 K CA 0.743 57.042 56.287 0.020 0.000 0.948 589 K CB -0.047 32.470 32.500 0.028 0.000 0.728 589 K HN 0.097 nan 8.250 nan 0.000 0.448 590 D N 0.814 121.216 120.400 0.003 0.000 2.697 590 D HA -0.092 4.546 4.640 -0.003 0.000 0.238 590 D C -2.434 173.860 176.300 -0.011 0.000 1.152 590 D CA 0.153 54.153 54.000 0.001 0.000 0.666 590 D CB -0.266 40.539 40.800 0.008 0.000 1.037 590 D HN 0.188 nan 8.370 nan 0.000 0.423 591 P HA 0.398 nan 4.420 nan 0.000 0.274 591 P C -0.610 176.681 177.300 -0.014 0.000 1.231 591 P CA -0.671 62.432 63.100 0.006 0.000 0.790 591 P CB 1.236 32.956 31.700 0.032 0.000 0.951 592 L N 1.851 123.058 121.223 -0.027 0.000 2.470 592 L HA 0.258 4.596 4.340 -0.003 0.000 0.268 592 L C -0.323 176.554 176.870 0.011 0.000 0.964 592 L CA -0.528 54.304 54.840 -0.013 0.000 0.839 592 L CB 1.897 43.935 42.059 -0.034 0.000 1.276 592 L HN 0.227 nan 8.230 nan 0.000 0.403 593 Q N 2.857 122.673 119.800 0.026 0.000 2.269 593 Q HA -0.100 4.238 4.340 -0.003 0.000 0.300 593 Q C 0.576 176.605 176.000 0.048 0.000 1.070 593 Q CA 0.394 56.220 55.803 0.039 0.000 0.957 593 Q CB 1.039 29.796 28.738 0.032 0.000 1.131 593 Q HN 0.722 nan 8.270 nan 0.000 0.377 594 Q N 2.808 122.644 119.800 0.060 0.000 2.181 594 Q HA -0.192 4.146 4.340 -0.003 0.000 0.205 594 Q C 0.526 176.560 176.000 0.057 0.000 0.980 594 Q CA 1.844 57.688 55.803 0.068 0.000 0.862 594 Q CB 0.199 28.988 28.738 0.085 0.000 0.905 594 Q HN 0.535 nan 8.270 nan 0.000 0.429 595 D N -0.474 119.953 120.400 0.045 0.000 2.265 595 D HA -0.126 4.512 4.640 -0.003 0.000 0.208 595 D C 1.534 177.859 176.300 0.042 0.000 0.977 595 D CA 0.798 54.819 54.000 0.034 0.000 0.871 595 D CB 0.005 40.819 40.800 0.024 0.000 0.925 595 D HN 0.347 nan 8.370 nan 0.000 0.485 596 L N 0.345 121.602 121.223 0.057 0.000 2.068 596 L HA -0.071 4.267 4.340 -0.003 0.000 0.204 596 L C 2.291 179.202 176.870 0.069 0.000 1.076 596 L CA 0.902 55.791 54.840 0.081 0.000 0.753 596 L CB -0.241 41.849 42.059 0.052 0.000 0.910 596 L HN -0.046 nan 8.230 nan 0.000 0.439 597 E N 0.234 120.485 120.200 0.084 0.000 2.118 597 E HA -0.232 4.116 4.350 -0.003 0.000 0.195 597 E C 2.315 178.938 176.600 0.039 0.000 0.992 597 E CA 1.136 57.614 56.400 0.130 0.000 0.804 597 E CB -0.118 29.699 29.700 0.196 0.000 0.741 597 E HN 0.440 nan 8.360 nan 0.000 0.458 598 L N 0.391 121.632 121.223 0.030 0.000 2.056 598 L HA -0.202 4.136 4.340 -0.003 0.000 0.207 598 L C 2.843 179.680 176.870 -0.055 0.000 1.078 598 L CA 0.832 55.673 54.840 0.001 0.000 0.749 598 L CB -0.526 41.538 42.059 0.008 0.000 0.901 598 L HN 0.372 nan 8.230 nan 0.000 0.433 599 C N -0.128 119.136 119.300 -0.060 0.000 2.413 599 C HA -0.213 4.245 4.460 -0.003 0.000 0.277 599 C C 2.625 177.417 174.990 -0.331 0.000 1.265 599 C CA 0.742 59.672 59.018 -0.147 0.000 1.752 599 C CB -0.885 26.799 27.740 -0.093 0.000 1.998 599 C HN 0.459 nan 8.230 nan 0.000 0.489 600 F N 0.858 120.508 119.950 -0.501 0.000 2.569 600 F HA 0.184 4.709 4.527 -0.003 0.000 0.295 600 F C 2.377 177.840 175.800 -0.563 0.000 1.115 600 F CA 1.007 58.528 58.000 -0.798 0.000 1.450 600 F CB -0.346 37.569 39.000 -1.808 0.000 1.107 600 F HN 0.140 nan 8.300 nan 0.000 0.563 601 K N -0.038 120.241 120.400 -0.202 0.000 2.152 601 K HA -0.173 4.145 4.320 -0.003 0.000 0.206 601 K C 0.460 177.025 176.600 -0.059 0.000 1.048 601 K CA 1.442 57.711 56.287 -0.030 0.000 0.933 601 K CB -0.183 32.332 32.500 0.025 0.000 0.721 601 K HN 0.104 nan 8.250 nan 0.000 0.447 602 D N 0.575 120.905 120.400 -0.116 0.000 2.370 602 D HA -0.005 4.633 4.640 -0.003 0.000 0.230 602 D C -0.170 176.050 176.300 -0.133 0.000 1.143 602 D CA 0.243 54.179 54.000 -0.106 0.000 0.834 602 D CB 0.209 40.946 40.800 -0.105 0.000 0.944 602 D HN -0.055 nan 8.370 nan 0.000 0.504 603 S N 0.061 115.672 115.700 -0.147 0.000 2.549 603 S HA 0.083 4.551 4.470 -0.003 0.000 0.279 603 S C 1.484 176.044 174.600 -0.067 0.000 1.321 603 S CA -0.497 57.621 58.200 -0.137 0.000 1.054 603 S CB 0.733 63.872 63.200 -0.102 0.000 0.899 603 S HN 0.197 nan 8.310 nan 0.000 0.497 604 S N 2.777 118.442 115.700 -0.057 0.000 2.603 604 S HA 0.027 4.495 4.470 -0.003 0.000 0.229 604 S C 0.348 174.938 174.600 -0.015 0.000 0.972 604 S CA -0.076 58.105 58.200 -0.032 0.000 0.935 604 S CB -0.219 62.962 63.200 -0.031 0.000 0.769 604 S HN 0.797 nan 8.310 nan 0.000 0.536 605 D N 1.147 121.543 120.400 -0.006 0.000 2.198 605 D HA 0.250 4.888 4.640 -0.003 0.000 0.245 605 D C -0.018 176.274 176.300 -0.014 0.000 1.079 605 D CA -0.320 53.681 54.000 0.002 0.000 0.854 605 D CB 0.997 41.817 40.800 0.034 0.000 1.148 605 D HN 0.205 nan 8.370 nan 0.000 0.456 606 N N 1.725 120.408 118.700 -0.028 0.000 2.446 606 N HA -0.052 4.686 4.740 -0.003 0.000 0.179 606 N C 1.660 177.108 175.510 -0.103 0.000 1.054 606 N CA 0.156 53.183 53.050 -0.039 0.000 0.905 606 N CB 0.597 39.075 38.487 -0.016 0.000 0.973 606 N HN 0.172 nan 8.380 nan 0.000 0.448 607 V N 0.260 120.067 119.914 -0.178 0.000 2.302 607 V HA -0.134 3.984 4.120 -0.003 0.000 0.243 607 V C 2.227 178.129 176.094 -0.321 0.000 1.036 607 V CA 1.087 63.128 62.300 -0.431 0.000 1.020 607 V CB -0.482 30.986 31.823 -0.593 0.000 0.657 607 V HN 0.091 nan 8.190 nan 0.000 0.453 608 V N -0.132 119.724 119.914 -0.096 0.000 2.317 608 V HA -0.352 3.766 4.120 -0.003 0.000 0.251 608 V C 2.623 178.827 176.094 0.184 0.000 1.065 608 V CA 2.785 65.154 62.300 0.115 0.000 1.049 608 V CB -0.988 30.965 31.823 0.217 0.000 0.651 608 V HN 0.608 nan 8.190 nan 0.000 0.450 609 T N -1.221 113.372 114.554 0.065 0.000 2.821 609 T HA -0.187 4.161 4.350 -0.003 0.000 0.267 609 T C 2.175 176.911 174.700 0.060 0.000 1.046 609 T CA 1.780 63.925 62.100 0.075 0.000 1.139 609 T CB -0.096 68.784 68.868 0.021 0.000 0.871 609 T HN 0.405 nan 8.240 nan 0.000 0.454 610 K N 0.690 121.066 120.400 -0.040 0.000 2.097 610 K HA 0.166 4.484 4.320 -0.003 0.000 0.205 610 K C 2.319 178.867 176.600 -0.087 0.000 1.050 610 K CA 0.547 56.797 56.287 -0.063 0.000 0.938 610 K CB -0.706 31.718 32.500 -0.128 0.000 0.718 610 K HN 0.515 nan 8.250 nan 0.000 0.442 611 L N -1.283 119.851 121.223 -0.149 0.000 2.131 611 L HA -0.025 4.313 4.340 -0.003 0.000 0.210 611 L C 2.115 178.756 176.870 -0.380 0.000 1.092 611 L CA 1.568 56.246 54.840 -0.269 0.000 0.759 611 L CB -0.375 41.484 42.059 -0.334 0.000 0.903 611 L HN 0.236 nan 8.230 nan 0.000 0.435 612 F N -0.854 119.063 119.950 -0.054 0.000 2.656 612 F HA 0.064 4.589 4.527 -0.003 0.000 0.291 612 F C 2.120 177.910 175.800 -0.016 0.000 1.122 612 F CA 0.318 58.301 58.000 -0.028 0.000 1.427 612 F CB 0.027 39.032 39.000 0.008 0.000 1.125 612 F HN 0.072 nan 8.300 nan 0.000 0.583 613 N N -0.931 117.839 118.700 0.116 0.000 2.397 613 N HA -0.034 4.704 4.740 -0.003 0.000 0.190 613 N C -0.031 175.499 175.510 0.033 0.000 1.099 613 N CA 0.319 53.411 53.050 0.070 0.000 0.876 613 N CB 0.040 38.567 38.487 0.066 0.000 1.143 613 N HN 0.070 nan 8.380 nan 0.000 0.468 614 D N 3.588 123.998 120.400 0.016 0.000 2.346 614 D HA 0.062 4.700 4.640 -0.003 0.000 0.260 614 D C -1.436 174.863 176.300 -0.002 0.000 1.252 614 D CA -1.829 52.179 54.000 0.013 0.000 0.895 614 D CB 1.374 42.191 40.800 0.028 0.000 1.097 614 D HN 0.082 nan 8.370 nan 0.000 0.489 615 P HA -0.116 nan 4.420 nan 0.000 0.222 615 P C 0.547 177.844 177.300 -0.005 0.000 1.147 615 P CA 0.578 63.680 63.100 0.002 0.000 0.790 615 P CB 0.396 32.104 31.700 0.013 0.000 0.780 616 N N -0.790 117.908 118.700 -0.004 0.000 2.515 616 N HA 0.059 4.797 4.740 -0.003 0.000 0.185 616 N C 1.596 177.096 175.510 -0.017 0.000 1.109 616 N CA 0.592 53.637 53.050 -0.009 0.000 0.903 616 N CB -0.251 38.231 38.487 -0.008 0.000 0.969 616 N HN 0.303 nan 8.380 nan 0.000 0.450 617 I N -1.707 118.847 120.570 -0.028 0.000 4.033 617 I HA 0.176 4.344 4.170 -0.003 0.000 0.296 617 I C 1.599 177.654 176.117 -0.103 0.000 1.210 617 I CA 0.183 61.452 61.300 -0.051 0.000 1.341 617 I CB 0.197 38.175 38.000 -0.037 0.000 1.369 617 I HN -0.061 nan 8.210 nan 0.000 0.453 618 A N 0.517 123.272 122.820 -0.108 0.000 2.095 618 A HA 0.391 4.709 4.320 -0.003 0.000 0.212 618 A C 1.441 178.965 177.584 -0.100 0.000 1.162 618 A CA 0.779 52.727 52.037 -0.147 0.000 0.753 618 A CB -0.518 18.406 19.000 -0.128 0.000 0.840 618 A HN 0.372 nan 8.150 nan 0.000 0.468 619 S N -0.083 115.586 115.700 -0.052 0.000 2.584 619 S HA 0.616 5.084 4.470 -0.003 0.000 0.273 619 S C 0.215 174.797 174.600 -0.031 0.000 1.311 619 S CA -0.346 57.841 58.200 -0.021 0.000 1.034 619 S CB 0.319 63.529 63.200 0.016 0.000 0.939 619 S HN 0.451 nan 8.310 nan 0.000 0.513 620 R N 1.175 121.664 120.500 -0.018 0.000 2.561 620 R HA 0.608 4.946 4.340 -0.003 0.000 0.297 620 R C -0.231 176.167 176.300 0.164 0.000 0.969 620 R CA -0.585 55.518 56.100 0.004 0.000 0.879 620 R CB 1.452 31.646 30.300 -0.177 0.000 1.178 620 R HN 0.861 nan 8.270 nan 0.000 0.445 621 A N 2.347 125.251 122.820 0.139 0.000 2.520 621 A HA 0.167 4.485 4.320 -0.003 0.000 0.235 621 A C -0.327 177.385 177.584 0.215 0.000 1.065 621 A CA -0.101 52.025 52.037 0.149 0.000 0.764 621 A CB 0.370 19.429 19.000 0.098 0.000 1.002 621 A HN 0.542 nan 8.150 nan 0.000 0.502 622 K N 0.479 120.960 120.400 0.134 0.000 2.118 622 K HA 0.709 5.027 4.320 -0.003 0.000 0.254 622 K C 0.178 176.802 176.600 0.040 0.000 0.961 622 K CA -0.160 56.162 56.287 0.060 0.000 0.876 622 K CB 1.582 34.056 32.500 -0.042 0.000 1.077 622 K HN 1.072 nan 8.250 nan 0.000 0.440 623 K N 0.696 121.109 120.400 0.021 0.000 2.530 623 K HA 0.585 4.903 4.320 -0.003 0.000 0.230 623 K C 0.839 177.434 176.600 -0.008 0.000 1.002 623 K CA -0.179 56.119 56.287 0.017 0.000 1.014 623 K CB 0.291 32.812 32.500 0.034 0.000 1.286 623 K HN 1.279 nan 8.250 nan 0.000 0.480 624 G N 1.160 109.951 108.800 -0.015 0.000 2.596 624 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.304 624 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.304 624 G C 1.430 176.293 174.900 -0.061 0.000 1.189 624 G CA 1.051 46.135 45.100 -0.028 0.000 0.986 624 G HN 1.936 nan 8.290 nan 0.000 0.548 625 A N 0.591 123.372 122.820 -0.064 0.000 2.278 625 A HA 0.415 4.733 4.320 -0.003 0.000 0.212 625 A C 0.835 178.327 177.584 -0.153 0.000 1.213 625 A CA 0.981 52.959 52.037 -0.100 0.000 0.840 625 A CB -0.294 nan 19.000 nan 0.000 0.866 625 A HN 0.575 nan 8.150 nan 0.000 0.489 626 N N -0.612 118.006 118.700 -0.136 0.000 2.272 626 N HA 0.446 5.184 4.740 -0.003 0.000 0.305 626 N C -1.200 174.225 175.510 -0.142 0.000 1.103 626 N CA -0.488 52.478 53.050 -0.141 0.000 0.791 626 N CB 1.019 39.492 38.487 -0.024 0.000 1.356 626 N HN 0.048 nan 8.380 nan 0.000 0.486 627 F N 1.060 121.022 119.950 0.021 0.000 2.602 627 F HA 0.094 4.619 4.527 -0.003 0.000 0.367 627 F C 1.707 177.523 175.800 0.027 0.000 1.126 627 F CA -0.295 57.719 58.000 0.023 0.000 1.321 627 F CB 0.237 39.249 39.000 0.021 0.000 1.094 627 F HN 0.332 nan 8.300 nan 0.000 0.594 628 I N 3.126 123.840 120.570 0.240 0.000 2.826 628 I HA -0.058 4.111 4.170 -0.003 0.000 0.295 628 I C 0.807 177.009 176.117 0.141 0.000 1.213 628 I CA -0.013 61.378 61.300 0.151 0.000 1.436 628 I CB 0.281 38.356 38.000 0.124 0.000 1.348 628 I HN 0.796 nan 8.210 nan 0.000 0.570 629 T N 3.681 118.304 114.554 0.114 0.000 2.813 629 T HA 0.152 4.500 4.350 -0.003 0.000 0.297 629 T C 1.273 176.046 174.700 0.122 0.000 1.036 629 T CA -0.738 61.421 62.100 0.099 0.000 1.044 629 T CB 1.488 70.400 68.868 0.074 0.000 0.993 629 T HN 0.439 nan 8.240 nan 0.000 0.535 630 V N 1.825 121.814 119.914 0.125 0.000 2.343 630 V HA -0.129 3.989 4.120 -0.003 0.000 0.247 630 V C 3.111 179.376 176.094 0.286 0.000 1.051 630 V CA 2.213 64.634 62.300 0.201 0.000 1.036 630 V CB -1.704 30.259 31.823 0.233 0.000 0.654 630 V HN 1.093 nan 8.190 nan 0.000 0.451 631 A N 0.065 123.069 122.820 0.307 0.000 1.908 631 A HA -0.168 4.150 4.320 -0.003 0.000 0.218 631 A C 2.409 180.156 177.584 0.272 0.000 1.181 631 A CA 2.306 54.543 52.037 0.334 0.000 0.627 631 A CB -0.741 18.417 19.000 0.263 0.000 0.818 631 A HN 0.587 nan 8.150 nan 0.000 0.445 632 A N -0.673 122.262 122.820 0.192 0.000 1.897 632 A HA -0.153 4.165 4.320 -0.003 0.000 0.215 632 A C 2.113 179.786 177.584 0.149 0.000 1.181 632 A CA 1.483 53.611 52.037 0.153 0.000 0.620 632 A CB -0.561 18.506 19.000 0.112 0.000 0.821 632 A HN 0.662 nan 8.150 nan 0.000 0.443 633 Q N -1.565 118.328 119.800 0.156 0.000 2.061 633 Q HA -0.245 4.094 4.340 -0.003 0.000 0.204 633 Q C 2.059 178.146 176.000 0.146 0.000 0.984 633 Q CA 1.941 57.826 55.803 0.138 0.000 0.846 633 Q CB -0.558 28.263 28.738 0.138 0.000 0.902 633 Q HN 0.849 nan 8.270 nan 0.000 0.421 634 Y N 1.975 122.334 120.300 0.099 0.000 2.097 634 Y HA -0.315 4.233 4.550 -0.003 0.000 0.282 634 Y C 2.528 178.472 175.900 0.074 0.000 1.152 634 Y CA 2.026 60.175 58.100 0.081 0.000 1.136 634 Y CB -0.293 38.200 38.460 0.055 0.000 0.975 634 Y HN -0.208 nan 8.280 nan 0.000 0.498 635 K N 0.552 121.059 120.400 0.178 0.000 2.059 635 K HA -0.252 4.066 4.320 -0.003 0.000 0.212 635 K C 1.884 178.449 176.600 -0.058 0.000 1.050 635 K CA 2.012 58.342 56.287 0.071 0.000 0.927 635 K CB -0.652 31.962 32.500 0.191 0.000 0.714 635 K HN 0.711 nan 8.250 nan 0.000 0.447 636 E N 0.204 120.398 120.200 -0.010 0.000 2.038 636 E HA -0.259 4.089 4.350 -0.003 0.000 0.195 636 E C 2.514 179.078 176.600 -0.061 0.000 1.000 636 E CA 1.707 58.097 56.400 -0.015 0.000 0.803 636 E CB -0.194 29.521 29.700 0.025 0.000 0.750 636 E HN 0.514 nan 8.360 nan 0.000 0.448 637 Q N 0.294 120.049 119.800 -0.075 0.000 2.096 637 Q HA -0.189 4.149 4.340 -0.003 0.000 0.204 637 Q C 2.393 178.251 176.000 -0.237 0.000 0.982 637 Q CA 1.152 56.929 55.803 -0.043 0.000 0.850 637 Q CB -0.173 28.611 28.738 0.077 0.000 0.901 637 Q HN 0.213 nan 8.270 nan 0.000 0.422 638 L N 0.218 121.174 121.223 -0.446 0.000 2.056 638 L HA -0.057 4.281 4.340 -0.003 0.000 0.207 638 L C 2.152 178.837 176.870 -0.309 0.000 1.078 638 L CA 1.854 56.381 54.840 -0.522 0.000 0.749 638 L CB -0.505 41.128 42.059 -0.709 0.000 0.901 638 L HN 0.091 nan 8.230 nan 0.000 0.433 639 A N -1.258 121.446 122.820 -0.194 0.000 1.930 639 A HA -0.194 4.124 4.320 -0.003 0.000 0.217 639 A C 2.505 180.026 177.584 -0.105 0.000 1.175 639 A CA 1.744 53.713 52.037 -0.114 0.000 0.627 639 A CB -1.121 17.851 19.000 -0.048 0.000 0.815 639 A HN 0.554 nan 8.150 nan 0.000 0.443 640 S N -0.559 115.085 115.700 -0.092 0.000 2.356 640 S HA -0.172 4.296 4.470 -0.003 0.000 0.223 640 S C 1.964 176.494 174.600 -0.117 0.000 1.032 640 S CA 1.617 59.777 58.200 -0.066 0.000 1.005 640 S CB -0.523 62.664 63.200 -0.022 0.000 0.867 640 S HN 0.523 nan 8.310 nan 0.000 0.449 641 L N 1.946 123.061 121.223 -0.179 0.000 1.971 641 L HA -0.103 4.235 4.340 -0.003 0.000 0.215 641 L C 2.309 178.962 176.870 -0.362 0.000 1.072 641 L CA 2.283 56.931 54.840 -0.320 0.000 0.758 641 L CB -0.957 40.820 42.059 -0.471 0.000 0.889 641 L HN 0.313 nan 8.230 nan 0.000 0.433 642 M N -0.502 118.912 119.600 -0.311 0.000 2.108 642 M HA -0.144 4.334 4.480 -0.003 0.000 0.261 642 M C 2.418 178.623 176.300 -0.158 0.000 1.066 642 M CA 1.889 57.021 55.300 -0.280 0.000 1.107 642 M CB -1.958 30.524 32.600 -0.198 0.000 1.356 642 M HN 0.485 nan 8.290 nan 0.000 0.406 643 A N -0.332 122.429 122.820 -0.099 0.000 1.930 643 A HA -0.125 4.193 4.320 -0.003 0.000 0.217 643 A C 2.332 179.911 177.584 -0.009 0.000 1.175 643 A CA 2.145 54.168 52.037 -0.024 0.000 0.627 643 A CB -1.090 17.904 19.000 -0.009 0.000 0.815 643 A HN 0.487 nan 8.150 nan 0.000 0.443 644 T N 0.865 115.381 114.554 -0.064 0.000 2.684 644 T HA -0.141 4.207 4.350 -0.003 0.000 0.267 644 T C 1.805 176.520 174.700 0.025 0.000 1.036 644 T CA 1.604 63.695 62.100 -0.015 0.000 1.148 644 T CB -0.474 68.322 68.868 -0.121 0.000 0.863 644 T HN 0.405 nan 8.240 nan 0.000 0.436 645 L N 0.998 122.136 121.223 -0.142 0.000 2.042 645 L HA -0.133 4.205 4.340 -0.003 0.000 0.210 645 L C 2.993 179.941 176.870 0.131 0.000 1.076 645 L CA 1.333 56.108 54.840 -0.108 0.000 0.749 645 L CB -0.891 40.850 42.059 -0.530 0.000 0.893 645 L HN 0.192 nan 8.230 nan 0.000 0.432 646 E N -0.358 119.944 120.200 0.170 0.000 2.209 646 E HA -0.202 4.146 4.350 -0.003 0.000 0.196 646 E C 2.166 178.885 176.600 0.199 0.000 0.993 646 E CA 1.380 57.948 56.400 0.281 0.000 0.819 646 E CB -0.684 29.164 29.700 0.247 0.000 0.745 646 E HN 0.768 nan 8.360 nan 0.000 0.477 647 T N -1.271 113.379 114.554 0.159 0.000 3.160 647 T HA -0.029 4.319 4.350 -0.003 0.000 0.257 647 T C 0.996 175.768 174.700 0.121 0.000 1.147 647 T CA 0.814 63.001 62.100 0.145 0.000 1.064 647 T CB -0.437 68.531 68.868 0.166 0.000 0.949 647 T HN 0.385 nan 8.240 nan 0.000 0.526 648 T N -0.248 114.384 114.554 0.131 0.000 2.950 648 T HA 0.516 4.864 4.350 -0.003 0.000 0.288 648 T C -0.581 174.148 174.700 0.047 0.000 1.035 648 T CA -1.057 61.083 62.100 0.066 0.000 1.028 648 T CB 1.439 70.369 68.868 0.103 0.000 1.109 648 T HN 0.072 nan 8.240 nan 0.000 0.514 649 N N 3.013 121.704 118.700 -0.015 0.000 2.406 649 N HA 0.364 5.102 4.740 -0.003 0.000 0.251 649 N C -2.480 172.914 175.510 -0.194 0.000 1.069 649 N CA -1.881 51.117 53.050 -0.088 0.000 0.947 649 N CB 0.652 39.086 38.487 -0.088 0.000 1.111 649 N HN 0.414 nan 8.380 nan 0.000 0.497 650 P HA 0.172 nan 4.420 nan 0.000 0.284 650 P C -1.174 175.676 177.300 -0.750 0.000 1.253 650 P CA 0.018 62.841 63.100 -0.462 0.000 0.800 650 P CB 0.885 32.239 31.700 -0.576 0.000 0.961 651 H N 2.317 121.176 119.070 -0.353 0.000 2.529 651 H HA 0.378 4.932 4.556 -0.003 0.000 0.348 651 H C -0.649 174.520 175.328 -0.264 0.000 1.079 651 H CA -0.339 55.593 56.048 -0.194 0.000 1.198 651 H CB 0.999 30.742 29.762 -0.031 0.000 1.521 651 H HN 0.311 nan 8.280 nan 0.000 0.514 652 F N 1.600 121.707 119.950 0.263 0.000 2.427 652 F HA 0.307 4.832 4.527 -0.003 0.000 0.346 652 F C 0.172 176.124 175.800 0.253 0.000 1.120 652 F CA -0.795 57.345 58.000 0.234 0.000 1.033 652 F CB 1.681 40.825 39.000 0.239 0.000 1.126 652 F HN 0.139 nan 8.300 nan 0.000 0.462 653 V N 4.688 124.814 119.914 0.352 0.000 2.378 653 V HA 0.486 4.604 4.120 -0.003 0.000 0.288 653 V C -0.391 175.819 176.094 0.194 0.000 1.016 653 V CA -1.037 61.423 62.300 0.266 0.000 0.840 653 V CB 1.450 33.381 31.823 0.180 0.000 0.994 653 V HN 0.499 nan 8.190 nan 0.000 0.431 654 R N 2.932 123.535 120.500 0.172 0.000 2.230 654 R HA 0.400 4.738 4.340 -0.003 0.000 0.337 654 R C -0.524 175.815 176.300 0.065 0.000 1.063 654 R CA -0.313 55.821 56.100 0.058 0.000 0.935 654 R CB 0.438 30.745 30.300 0.011 0.000 1.121 654 R HN 0.623 nan 8.270 nan 0.000 0.486 655 C N 3.706 123.033 119.300 0.044 0.000 2.539 655 C HA 0.530 4.988 4.460 -0.003 0.000 0.392 655 C C 0.634 175.618 174.990 -0.009 0.000 1.269 655 C CA -0.454 58.576 59.018 0.019 0.000 2.250 655 C CB 0.104 27.852 27.740 0.013 0.000 2.584 655 C HN 0.593 nan 8.230 nan 0.000 0.589 656 I N 3.388 123.937 120.570 -0.036 0.000 2.512 656 I HA 0.360 4.528 4.170 -0.003 0.000 0.287 656 I C -0.192 175.879 176.117 -0.076 0.000 1.069 656 I CA -0.385 60.885 61.300 -0.051 0.000 1.056 656 I CB 1.355 39.324 38.000 -0.051 0.000 1.229 656 I HN 0.642 nan 8.210 nan 0.000 0.429 657 I N 8.530 129.069 120.570 -0.050 0.000 2.395 657 I HA 0.223 4.391 4.170 -0.003 0.000 0.289 657 I C -1.089 175.015 176.117 -0.021 0.000 1.023 657 I CA -1.697 59.592 61.300 -0.019 0.000 1.350 657 I CB 2.029 40.065 38.000 0.060 0.000 1.409 657 I HN 0.360 nan 8.210 nan 0.000 0.507 658 P HA -0.038 nan 4.420 nan 0.000 0.222 658 P C -0.922 176.390 177.300 0.020 0.000 1.153 658 P CA 1.046 64.112 63.100 -0.057 0.000 0.798 658 P CB -0.001 31.668 31.700 -0.050 0.000 0.796 659 N N -1.564 117.196 118.700 0.100 0.000 3.339 659 N HA 0.076 4.814 4.740 -0.003 0.000 0.275 659 N C -0.355 175.195 175.510 0.065 0.000 1.514 659 N CA -0.790 52.294 53.050 0.056 0.000 0.879 659 N CB -0.681 37.835 38.487 0.049 0.000 1.557 659 N HN -0.294 nan 8.380 nan 0.000 0.524 660 N N -0.919 117.788 118.700 0.012 0.000 2.273 660 N HA 0.186 4.924 4.740 -0.003 0.000 0.231 660 N C -0.473 175.010 175.510 -0.045 0.000 1.134 660 N CA -0.180 52.868 53.050 -0.003 0.000 0.856 660 N CB 0.252 38.732 38.487 -0.013 0.000 1.068 660 N HN 0.626 nan 8.380 nan 0.000 0.510 661 K N 0.006 120.350 120.400 -0.093 0.000 2.438 661 K HA 0.194 4.512 4.320 -0.003 0.000 0.206 661 K C -0.326 176.078 176.600 -0.326 0.000 1.081 661 K CA -0.132 56.065 56.287 -0.150 0.000 1.053 661 K CB 0.532 32.971 32.500 -0.102 0.000 0.908 661 K HN 0.044 nan 8.250 nan 0.000 0.556 662 Q N 0.761 120.201 119.800 -0.601 0.000 2.475 662 Q HA -0.204 4.135 4.340 -0.003 0.000 0.280 662 Q C -0.842 174.447 176.000 -1.185 0.000 1.234 662 Q CA 0.568 55.463 55.803 -1.513 0.000 0.873 662 Q CB -1.642 26.582 28.738 -0.856 0.000 1.256 662 Q HN 0.349 nan 8.270 nan 0.000 0.475 663 L N 0.980 121.829 121.223 -0.624 0.000 2.325 663 L HA 0.587 4.925 4.340 -0.003 0.000 0.278 663 L C -1.849 175.092 176.870 0.118 0.000 1.023 663 L CA -2.254 52.477 54.840 -0.181 0.000 0.811 663 L CB 1.113 43.119 42.059 -0.088 0.000 1.249 663 L HN -0.121 nan 8.230 nan 0.000 0.431 664 P HA 0.145 nan 4.420 nan 0.000 0.276 664 P C -0.160 177.237 177.300 0.162 0.000 1.244 664 P CA -0.087 63.135 63.100 0.203 0.000 0.801 664 P CB 1.200 32.964 31.700 0.106 0.000 1.006 665 A N 0.396 123.324 122.820 0.180 0.000 2.846 665 A HA -0.198 4.120 4.320 -0.003 0.000 0.287 665 A C 0.384 178.079 177.584 0.184 0.000 1.469 665 A CA 1.398 53.527 52.037 0.153 0.000 0.757 665 A CB -2.671 16.360 19.000 0.052 0.000 1.033 665 A HN 0.675 nan 8.150 nan 0.000 0.516 666 K N -0.142 120.412 120.400 0.257 0.000 3.098 666 K HA 0.394 4.712 4.320 -0.003 0.000 0.204 666 K C -0.800 175.874 176.600 0.123 0.000 1.210 666 K CA -0.791 55.589 56.287 0.154 0.000 0.899 666 K CB 0.128 32.689 32.500 0.103 0.000 1.176 666 K HN 0.248 nan 8.250 nan 0.000 0.585 667 L N 2.888 124.168 121.223 0.095 0.000 2.418 667 L HA 0.226 4.564 4.340 -0.003 0.000 0.274 667 L C -0.043 176.874 176.870 0.077 0.000 1.135 667 L CA 0.722 55.575 54.840 0.021 0.000 0.870 667 L CB 0.782 42.855 42.059 0.022 0.000 1.154 667 L HN 0.455 nan 8.230 nan 0.000 0.462 668 E N 2.858 123.080 120.200 0.037 0.000 2.133 668 E HA 0.128 4.476 4.350 -0.003 0.000 0.274 668 E C 0.006 176.573 176.600 -0.054 0.000 0.930 668 E CA -0.627 55.781 56.400 0.012 0.000 0.770 668 E CB 1.324 31.017 29.700 -0.012 0.000 1.104 668 E HN 0.480 nan 8.360 nan 0.000 0.403 669 D N 2.478 122.846 120.400 -0.055 0.000 2.103 669 D HA -0.215 4.423 4.640 -0.003 0.000 0.190 669 D C 1.705 177.790 176.300 -0.359 0.000 0.997 669 D CA 1.542 55.396 54.000 -0.243 0.000 0.833 669 D CB 0.144 40.905 40.800 -0.064 0.000 0.961 669 D HN 0.282 nan 8.370 nan 0.000 0.447 670 K N 0.610 120.891 120.400 -0.199 0.000 2.057 670 K HA -0.060 4.258 4.320 -0.003 0.000 0.206 670 K C 1.942 178.435 176.600 -0.178 0.000 1.050 670 K CA 0.713 56.894 56.287 -0.178 0.000 0.935 670 K CB -0.349 32.080 32.500 -0.119 0.000 0.715 670 K HN -0.063 nan 8.250 nan 0.000 0.439 671 V N 0.381 120.207 119.914 -0.147 0.000 2.278 671 V HA -0.284 3.834 4.120 -0.003 0.000 0.251 671 V C 2.272 178.270 176.094 -0.159 0.000 1.062 671 V CA 2.006 64.232 62.300 -0.124 0.000 1.038 671 V CB -0.420 31.356 31.823 -0.079 0.000 0.646 671 V HN 0.220 nan 8.190 nan 0.000 0.447 672 V N -0.846 118.931 119.914 -0.228 0.000 2.407 672 V HA -0.142 3.976 4.120 -0.003 0.000 0.245 672 V C 2.201 178.125 176.094 -0.282 0.000 1.041 672 V CA 1.630 63.784 62.300 -0.243 0.000 1.040 672 V CB -0.354 31.321 31.823 -0.247 0.000 0.671 672 V HN 0.418 nan 8.190 nan 0.000 0.455 673 L N -0.341 120.645 121.223 -0.394 0.000 2.141 673 L HA -0.137 4.201 4.340 -0.003 0.000 0.209 673 L C 2.304 179.072 176.870 -0.169 0.000 1.094 673 L CA 1.278 55.939 54.840 -0.297 0.000 0.763 673 L CB -0.605 41.264 42.059 -0.317 0.000 0.908 673 L HN 0.306 nan 8.230 nan 0.000 0.437 674 D N -0.148 120.155 120.400 -0.162 0.000 2.123 674 D HA -0.209 4.429 4.640 -0.003 0.000 0.196 674 D C 2.285 178.508 176.300 -0.127 0.000 0.992 674 D CA 1.207 55.128 54.000 -0.131 0.000 0.833 674 D CB -0.071 40.648 40.800 -0.135 0.000 0.954 674 D HN 0.407 nan 8.370 nan 0.000 0.455 675 Q N -0.092 119.631 119.800 -0.128 0.000 2.084 675 Q HA -0.069 4.269 4.340 -0.003 0.000 0.202 675 Q C 2.539 178.495 176.000 -0.073 0.000 0.978 675 Q CA 0.743 56.483 55.803 -0.104 0.000 0.844 675 Q CB -0.092 28.591 28.738 -0.091 0.000 0.898 675 Q HN 0.316 nan 8.270 nan 0.000 0.426 676 L N 0.125 121.307 121.223 -0.067 0.000 2.083 676 L HA -0.190 4.148 4.340 -0.003 0.000 0.209 676 L C 2.515 179.380 176.870 -0.009 0.000 1.083 676 L CA 1.211 56.036 54.840 -0.024 0.000 0.752 676 L CB -0.376 41.672 42.059 -0.017 0.000 0.899 676 L HN 0.169 nan 8.230 nan 0.000 0.433 677 R N -0.088 120.394 120.500 -0.029 0.000 2.062 677 R HA -0.159 4.179 4.340 -0.003 0.000 0.231 677 R C 2.569 178.872 176.300 0.004 0.000 1.136 677 R CA 1.880 57.975 56.100 -0.008 0.000 0.948 677 R CB -0.705 29.581 30.300 -0.022 0.000 0.845 677 R HN 0.594 nan 8.270 nan 0.000 0.430 678 C N -0.303 118.985 119.300 -0.019 0.000 2.464 678 C HA 0.124 4.582 4.460 -0.003 0.000 0.278 678 C C 1.807 176.854 174.990 0.095 0.000 1.375 678 C CA 0.019 59.058 59.018 0.035 0.000 1.761 678 C CB -1.149 26.551 27.740 -0.066 0.000 1.944 678 C HN 0.404 nan 8.230 nan 0.000 0.509 679 N N 1.380 120.079 118.700 -0.002 0.000 2.453 679 N HA 0.098 4.836 4.740 -0.003 0.000 0.183 679 N C 1.414 176.827 175.510 -0.162 0.000 1.041 679 N CA 0.853 53.821 53.050 -0.137 0.000 0.900 679 N CB -0.317 38.053 38.487 -0.195 0.000 0.961 679 N HN 0.809 nan 8.380 nan 0.000 0.443 680 G N 0.825 109.637 108.800 0.020 0.000 2.273 680 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.280 680 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.280 680 G C 0.815 175.865 174.900 0.249 0.000 1.047 680 G CA 0.318 45.514 45.100 0.161 0.000 0.869 680 G HN 0.171 nan 8.290 nan 0.000 0.502 681 V N -0.513 119.504 119.914 0.173 0.000 2.295 681 V HA -0.193 3.925 4.120 -0.003 0.000 0.246 681 V C 2.900 179.211 176.094 0.361 0.000 1.049 681 V CA 2.358 64.863 62.300 0.342 0.000 1.024 681 V CB -0.459 31.511 31.823 0.245 0.000 0.648 681 V HN 0.423 nan 8.190 nan 0.000 0.447 682 L N -0.252 121.105 121.223 0.222 0.000 2.056 682 L HA -0.150 4.188 4.340 -0.003 0.000 0.207 682 L C 2.434 179.436 176.870 0.220 0.000 1.078 682 L CA 1.734 56.685 54.840 0.184 0.000 0.749 682 L CB -0.850 41.283 42.059 0.123 0.000 0.901 682 L HN 0.292 nan 8.230 nan 0.000 0.433 683 E N -0.348 119.986 120.200 0.223 0.000 2.085 683 E HA -0.177 4.171 4.350 -0.003 0.000 0.194 683 E C 2.283 179.071 176.600 0.313 0.000 0.994 683 E CA 1.287 57.798 56.400 0.184 0.000 0.801 683 E CB -0.719 28.935 29.700 -0.077 0.000 0.743 683 E HN 0.474 nan 8.360 nan 0.000 0.453 684 G N 0.440 109.562 108.800 0.537 0.000 2.408 684 G HA2 -0.209 3.749 3.960 -0.003 0.000 0.217 684 G HA3 -0.209 3.749 3.960 -0.003 0.000 0.217 684 G C 1.608 176.743 174.900 0.391 0.000 1.150 684 G CA 0.721 46.169 45.100 0.582 0.000 0.776 684 G HN 0.180 nan 8.290 nan 0.000 0.542 685 I N 0.241 120.986 120.570 0.293 0.000 2.252 685 I HA -0.138 4.030 4.170 -0.003 0.000 0.245 685 I C 2.999 179.198 176.117 0.136 0.000 1.102 685 I CA 0.913 62.289 61.300 0.126 0.000 1.385 685 I CB -0.190 37.855 38.000 0.075 0.000 1.064 685 I HN 0.069 nan 8.210 nan 0.000 0.414 686 R N 0.252 120.868 120.500 0.192 0.000 2.096 686 R HA -0.157 4.181 4.340 -0.003 0.000 0.235 686 R C 2.329 178.794 176.300 0.276 0.000 1.127 686 R CA 1.299 57.540 56.100 0.235 0.000 0.968 686 R CB -0.521 29.971 30.300 0.321 0.000 0.861 686 R HN 0.264 nan 8.270 nan 0.000 0.440 687 I N 1.048 121.748 120.570 0.217 0.000 2.394 687 I HA -0.204 3.964 4.170 -0.003 0.000 0.251 687 I C 1.650 177.848 176.117 0.136 0.000 1.136 687 I CA 1.685 63.113 61.300 0.213 0.000 1.425 687 I CB -0.233 37.769 38.000 0.003 0.000 1.079 687 I HN 0.058 nan 8.210 nan 0.000 0.425 688 T N 0.450 115.053 114.554 0.081 0.000 2.652 688 T HA -0.197 4.151 4.350 -0.003 0.000 0.267 688 T C 2.096 176.806 174.700 0.018 0.000 1.039 688 T CA 1.815 63.934 62.100 0.033 0.000 1.153 688 T CB -0.225 68.650 68.868 0.012 0.000 0.863 688 T HN 0.324 nan 8.240 nan 0.000 0.428 689 R N 0.800 121.324 120.500 0.041 0.000 2.062 689 R HA 0.067 4.405 4.340 -0.003 0.000 0.231 689 R C 2.563 178.864 176.300 0.001 0.000 1.136 689 R CA 1.190 57.300 56.100 0.018 0.000 0.948 689 R CB -0.074 30.248 30.300 0.036 0.000 0.845 689 R HN 0.288 nan 8.270 nan 0.000 0.430 690 K N -0.261 120.192 120.400 0.088 0.000 2.296 690 K HA 0.036 4.354 4.320 -0.003 0.000 0.200 690 K C 1.120 177.769 176.600 0.081 0.000 1.048 690 K CA 0.748 57.110 56.287 0.124 0.000 0.966 690 K CB 0.334 32.981 32.500 0.245 0.000 0.754 690 K HN 0.200 nan 8.250 nan 0.000 0.466 691 G N -0.107 108.682 108.800 -0.018 0.000 2.702 691 G HA2 0.449 4.407 3.960 -0.003 0.000 0.254 691 G HA3 0.449 4.407 3.960 -0.003 0.000 0.254 691 G C -0.864 173.599 174.900 -0.728 0.000 1.380 691 G CA -0.654 44.291 45.100 -0.257 0.000 1.042 691 G HN 0.056 nan 8.290 nan 0.000 0.557 692 F N 0.266 120.195 119.950 -0.035 0.000 2.660 692 F HA 0.356 4.881 4.527 -0.003 0.000 0.352 692 F C -1.642 174.262 175.800 0.173 0.000 1.257 692 F CA -1.381 56.635 58.000 0.027 0.000 1.200 692 F CB 2.189 41.132 39.000 -0.096 0.000 1.473 692 F HN 0.191 nan 8.300 nan 0.000 0.561 693 P HA -0.201 nan 4.420 nan 0.000 0.219 693 P C -0.296 177.052 177.300 0.079 0.000 1.158 693 P CA 1.675 64.832 63.100 0.095 0.000 0.895 693 P CB 0.222 31.940 31.700 0.031 0.000 0.792 694 N N 0.032 118.771 118.700 0.066 0.000 2.319 694 N HA 0.323 5.061 4.740 -0.003 0.000 0.305 694 N C -0.432 174.964 175.510 -0.191 0.000 1.103 694 N CA -0.531 52.487 53.050 -0.053 0.000 0.815 694 N CB 2.133 40.586 38.487 -0.057 0.000 1.288 694 N HN 0.008 nan 8.380 nan 0.000 0.493 695 R N -0.552 119.733 120.500 -0.358 0.000 2.535 695 R HA 0.526 4.864 4.340 -0.003 0.000 0.274 695 R C -1.688 174.331 176.300 -0.469 0.000 1.090 695 R CA -0.551 55.146 56.100 -0.671 0.000 0.930 695 R CB 0.036 29.432 30.300 -1.506 0.000 1.223 695 R HN 0.257 nan 8.270 nan 0.000 0.441 696 I N 0.998 121.308 120.570 -0.434 0.000 2.498 696 I HA 0.593 4.761 4.170 -0.003 0.000 0.290 696 I C 1.463 177.373 176.117 -0.345 0.000 1.032 696 I CA -1.273 59.848 61.300 -0.299 0.000 1.073 696 I CB 1.225 39.112 38.000 -0.189 0.000 1.251 696 I HN 0.755 nan 8.210 nan 0.000 0.426 697 I N 3.799 124.217 120.570 -0.253 0.000 2.826 697 I HA 0.369 4.537 4.170 -0.003 0.000 0.295 697 I C 0.507 176.545 176.117 -0.132 0.000 1.213 697 I CA 0.143 61.315 61.300 -0.214 0.000 1.436 697 I CB -1.255 36.683 38.000 -0.103 0.000 1.348 697 I HN 0.666 nan 8.210 nan 0.000 0.570 737 Y N -0.977 119.485 120.300 0.269 0.000 2.895 737 Y HA 0.703 5.251 4.550 -0.003 0.000 0.399 737 Y C -1.468 174.458 175.900 0.043 0.000 1.127 737 Y CA -0.746 57.457 58.100 0.171 0.000 1.395 737 Y CB 0.376 nan 38.460 nan 0.000 1.520 737 Y HN 0.709 nan 8.280 nan 0.000 0.527 738 R N 0.916 121.329 120.500 -0.145 0.000 2.692 738 R HA 0.718 5.056 4.340 -0.003 0.000 0.269 738 R C -2.220 173.961 176.300 -0.199 0.000 1.030 738 R CA -0.872 55.116 56.100 -0.188 0.000 0.882 738 R CB 1.965 31.994 30.300 -0.452 0.000 1.250 738 R HN 0.875 nan 8.270 nan 0.000 0.465 739 F N 0.220 120.189 119.950 0.031 0.000 2.402 739 F HA 0.550 5.075 4.527 -0.003 0.000 0.355 739 F C 1.062 176.959 175.800 0.163 0.000 1.123 739 F CA -0.233 57.875 58.000 0.179 0.000 1.021 739 F CB 2.081 41.180 39.000 0.165 0.000 1.160 739 F HN 0.641 nan 8.300 nan 0.000 0.451 740 G N 1.324 110.349 108.800 0.375 0.000 2.552 740 G HA2 0.498 4.456 3.960 -0.003 0.000 0.318 740 G HA3 0.498 4.456 3.960 -0.003 0.000 0.318 740 G C 1.021 176.106 174.900 0.309 0.000 1.240 740 G CA -0.213 45.044 45.100 0.260 0.000 1.002 740 G HN 0.710 nan 8.290 nan 0.000 0.493 741 I N -0.798 119.898 120.570 0.210 0.000 2.423 741 I HA 0.059 4.227 4.170 -0.003 0.000 0.254 741 I C 2.269 178.527 176.117 0.234 0.000 1.151 741 I CA 2.895 64.312 61.300 0.195 0.000 1.421 741 I CB -1.184 36.891 38.000 0.124 0.000 1.079 741 I HN 0.885 nan 8.210 nan 0.000 0.431 742 T N -4.969 109.686 114.554 0.168 0.000 3.186 742 T HA 0.382 4.730 4.350 -0.003 0.000 0.292 742 T C 0.173 174.659 174.700 -0.356 0.000 0.915 742 T CA 0.056 62.195 62.100 0.065 0.000 0.902 742 T CB -0.048 68.842 68.868 0.038 0.000 1.192 742 T HN 0.599 nan 8.240 nan 0.000 0.563 743 K N 0.826 120.891 120.400 -0.559 0.000 2.523 743 K HA 0.546 4.864 4.320 -0.003 0.000 0.257 743 K C -1.493 174.640 176.600 -0.778 0.000 0.932 743 K CA -0.893 54.890 56.287 -0.839 0.000 0.812 743 K CB 2.567 34.706 32.500 -0.602 0.000 1.326 743 K HN 0.113 nan 8.250 nan 0.000 0.433 744 I N 3.283 123.375 120.570 -0.797 0.000 2.441 744 I HA 0.247 4.415 4.170 -0.003 0.000 0.287 744 I C -1.141 174.752 176.117 -0.373 0.000 1.049 744 I CA -0.081 60.981 61.300 -0.398 0.000 1.381 744 I CB 0.181 37.989 38.000 -0.319 0.000 1.409 744 I HN 0.504 nan 8.210 nan 0.000 0.523 745 F N 7.698 127.455 119.950 -0.321 0.000 2.426 745 F HA 0.506 5.031 4.527 -0.003 0.000 0.348 745 F C 0.610 176.335 175.800 -0.125 0.000 1.124 745 F CA -0.179 57.696 58.000 -0.210 0.000 1.008 745 F CB 1.161 39.981 39.000 -0.300 0.000 1.139 745 F HN 0.401 nan 8.300 nan 0.000 0.452 746 F N 2.100 122.133 119.950 0.138 0.000 2.982 746 F HA 0.901 5.426 4.527 -0.003 0.000 0.227 746 F C 0.062 176.023 175.800 0.268 0.000 1.432 746 F CA -0.754 57.349 58.000 0.172 0.000 0.946 746 F CB 0.479 nan 39.000 nan 0.000 1.994 746 F HN 0.412 nan 8.300 nan 0.000 0.462 747 R N 0.000 120.574 120.500 0.124 0.000 2.786 747 R HA 0.000 4.338 4.340 -0.003 0.000 0.208 747 R CA 0.000 56.132 56.100 0.053 0.000 0.921 747 R CB 0.000 30.310 30.300 0.016 0.000 0.687 747 R HN 0.000 nan 8.270 nan 0.000 0.535