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 2jln_1_A DATA FIRST_RESID 8 DATA SEQUENCE EARSLLNPSN APTRYAERSV GPFSLAAIWF AMAIQVAIFI AAGQMTSSFQ DATA SEQUENCE VWQVIVAIAA GCTIAVILLF FTQSAAIRWG INFTVAARMP FGIRGSLIPI DATA SEQUENCE TLKALLSLFW FGFQTWLGAL ALDEITRLLT GFTNLPLWIV IFGAIQVVTT DATA SEQUENCE FYGITFIRWM NVFASPVLLA MGVYMVYLML DGADVSLGEV MSMGGENPGM DATA SEQUENCE PFSTAIMIFV GGWIAVVVSI HDIVKECKVD PNASREGQTK ADARYATAQW DATA SEQUENCE LGMVPASIIF GFIGAASMVL VGEWNPVIAI TEVVGGVSIP MAILFQVFVL DATA SEQUENCE LATWSTNPAA NLLSPAYTLC STFPRVFTFK TGVIVSAVVG LLMMPWQFAG DATA SEQUENCE VLNTFLNLLA SALGPLAGIM ISDYFLVRRR RISLHDLYRT KGIYTYWRGV DATA SEQUENCE NWVALAVYAV ALAVSFLTPD LMFVTGLIAA LLLHIPAMRW VAKTFPLFSE DATA SEQUENCE AESRNEDYLR PIGP 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.604 176.600 0.006 0.000 1.382 8 E CA 0.000 56.405 56.400 0.009 0.000 0.976 8 E CB 0.000 29.706 29.700 0.010 0.000 0.812 9 A N 1.564 124.387 122.820 0.004 0.000 2.303 9 A HA 0.746 5.082 4.320 0.027 0.000 0.320 9 A C -0.455 177.129 177.584 0.000 0.000 1.192 9 A CA -0.265 51.769 52.037 -0.004 0.000 0.821 9 A CB 0.823 19.812 19.000 -0.019 0.000 1.188 9 A HN 0.257 nan 8.150 nan 0.000 0.492 10 R N 1.506 122.008 120.500 0.003 0.000 2.623 10 R HA 0.227 4.584 4.340 0.027 0.000 0.271 10 R C 0.300 176.606 176.300 0.010 0.000 1.043 10 R CA 0.431 56.537 56.100 0.011 0.000 1.083 10 R CB 0.397 30.706 30.300 0.016 0.000 0.974 10 R HN 0.697 nan 8.270 nan 0.000 0.436 11 S N 3.238 118.951 115.700 0.021 0.000 2.525 11 S HA 0.252 4.738 4.470 0.027 0.000 0.278 11 S C 0.741 175.375 174.600 0.056 0.000 1.234 11 S CA -0.733 57.487 58.200 0.034 0.000 1.058 11 S CB 0.673 63.894 63.200 0.035 0.000 0.983 11 S HN 0.631 nan 8.310 nan 0.000 0.495 12 L N 4.005 125.281 121.223 0.088 0.000 2.693 12 L HA 0.362 4.718 4.340 0.027 0.000 0.235 12 L C -0.030 176.955 176.870 0.193 0.000 1.127 12 L CA -0.252 54.655 54.840 0.111 0.000 0.914 12 L CB 0.229 42.328 42.059 0.067 0.000 1.193 12 L HN 0.452 nan 8.230 nan 0.000 0.502 13 L N 1.997 123.324 121.223 0.174 0.000 2.349 13 L HA 0.395 4.751 4.340 0.027 0.000 0.275 13 L C -0.259 176.651 176.870 0.066 0.000 1.115 13 L CA 0.119 55.019 54.840 0.101 0.000 0.820 13 L CB 0.665 42.689 42.059 -0.057 0.000 1.135 13 L HN 0.243 nan 8.230 nan 0.000 0.445 14 N N 4.249 122.989 118.700 0.067 0.000 2.610 14 N HA 0.555 5.311 4.740 0.027 0.000 0.264 14 N C -2.666 172.878 175.510 0.058 0.000 1.348 14 N CA -1.497 51.591 53.050 0.063 0.000 0.819 14 N CB 1.069 39.611 38.487 0.091 0.000 1.521 14 N HN 0.284 nan 8.380 nan 0.000 0.497 15 P HA -0.084 nan 4.420 nan 0.000 0.218 15 P C 0.729 178.074 177.300 0.075 0.000 1.148 15 P CA 1.262 64.389 63.100 0.045 0.000 0.822 15 P CB 0.191 31.915 31.700 0.040 0.000 0.784 16 S N 0.817 116.591 115.700 0.123 0.000 2.371 16 S HA -0.100 4.386 4.470 0.027 0.000 0.224 16 S C 1.470 176.205 174.600 0.225 0.000 1.029 16 S CA 1.451 59.761 58.200 0.183 0.000 0.978 16 S CB -0.949 62.405 63.200 0.258 0.000 0.833 16 S HN 0.387 nan 8.310 nan 0.000 0.466 17 N N 1.672 120.498 118.700 0.210 0.000 2.313 17 N HA 0.301 5.057 4.740 0.027 0.000 0.207 17 N C -0.113 175.507 175.510 0.184 0.000 1.141 17 N CA 0.073 53.259 53.050 0.226 0.000 0.830 17 N CB -0.147 38.495 38.487 0.258 0.000 1.008 17 N HN 0.256 nan 8.380 nan 0.000 0.481 18 A N 0.749 123.605 122.820 0.060 0.000 2.340 18 A HA 0.553 4.889 4.320 0.027 0.000 0.268 18 A C -2.175 175.408 177.584 -0.002 0.000 1.100 18 A CA -1.317 50.677 52.037 -0.072 0.000 0.803 18 A CB -0.067 18.893 19.000 -0.067 0.000 1.043 18 A HN 0.196 nan 8.150 nan 0.000 0.488 19 P HA 0.098 nan 4.420 nan 0.000 0.269 19 P C -0.287 177.019 177.300 0.010 0.000 1.211 19 P CA 0.431 63.554 63.100 0.038 0.000 0.781 19 P CB 0.297 32.029 31.700 0.054 0.000 0.877 20 T N 3.331 117.882 114.554 -0.004 0.000 2.743 20 T HA 0.270 4.636 4.350 0.027 0.000 0.292 20 T C 0.269 174.937 174.700 -0.053 0.000 0.972 20 T CA -0.595 61.494 62.100 -0.018 0.000 0.967 20 T CB 0.226 69.086 68.868 -0.014 0.000 0.926 20 T HN 0.212 nan 8.240 nan 0.000 0.459 21 R N 2.438 122.904 120.500 -0.055 0.000 2.679 21 R HA 0.082 4.438 4.340 0.027 0.000 0.268 21 R C 0.749 177.026 176.300 -0.039 0.000 1.044 21 R CA -0.180 55.855 56.100 -0.108 0.000 1.105 21 R CB 0.374 30.648 30.300 -0.043 0.000 0.989 21 R HN 0.640 nan 8.270 nan 0.000 0.447 22 Y N 1.482 121.811 120.300 0.048 0.000 2.102 22 Y HA -0.314 4.252 4.550 0.027 0.000 0.280 22 Y C 2.399 178.319 175.900 0.034 0.000 1.178 22 Y CA 1.888 60.008 58.100 0.034 0.000 1.146 22 Y CB -0.817 37.661 38.460 0.031 0.000 0.968 22 Y HN 0.768 nan 8.280 nan 0.000 0.504 23 A N 0.010 122.945 122.820 0.192 0.000 2.067 23 A HA -0.155 4.181 4.320 0.027 0.000 0.219 23 A C 1.855 179.494 177.584 0.092 0.000 1.158 23 A CA 1.469 53.580 52.037 0.123 0.000 0.661 23 A CB -0.611 18.448 19.000 0.099 0.000 0.801 23 A HN 0.592 nan 8.150 nan 0.000 0.452 24 E N -0.016 120.230 120.200 0.076 0.000 2.502 24 E HA 0.007 4.374 4.350 0.027 0.000 0.194 24 E C 0.097 176.737 176.600 0.066 0.000 1.062 24 E CA -0.185 56.252 56.400 0.062 0.000 0.867 24 E CB 0.136 29.861 29.700 0.041 0.000 0.888 24 E HN 0.417 nan 8.360 nan 0.000 0.510 25 R N 0.811 121.358 120.500 0.078 0.000 2.441 25 R HA 0.147 4.503 4.340 0.027 0.000 0.284 25 R C 0.858 177.200 176.300 0.071 0.000 1.070 25 R CA 0.203 56.345 56.100 0.070 0.000 1.047 25 R CB 1.300 31.649 30.300 0.083 0.000 1.016 25 R HN 0.081 nan 8.270 nan 0.000 0.477 26 S N -0.658 115.077 115.700 0.058 0.000 2.817 26 S HA 0.103 4.590 4.470 0.027 0.000 0.262 26 S C 0.017 174.636 174.600 0.032 0.000 1.051 26 S CA -0.463 57.772 58.200 0.058 0.000 1.185 26 S CB 0.684 63.925 63.200 0.069 0.000 1.152 26 S HN 0.204 nan 8.310 nan 0.000 0.653 27 V N 2.488 122.422 119.914 0.034 0.000 2.350 27 V HA 0.754 4.891 4.120 0.027 0.000 0.285 27 V C 0.880 177.046 176.094 0.118 0.000 1.014 27 V CA -0.049 62.269 62.300 0.030 0.000 0.831 27 V CB 0.831 32.658 31.823 0.006 0.000 1.000 27 V HN 0.517 nan 8.190 nan 0.000 0.433 28 G N 5.444 114.322 108.800 0.130 0.000 2.531 28 G HA2 0.458 4.434 3.960 0.027 0.000 0.281 28 G HA3 0.458 4.434 3.960 0.027 0.000 0.281 28 G C -1.858 173.169 174.900 0.213 0.000 1.382 28 G CA -0.985 44.228 45.100 0.188 0.000 1.045 28 G HN 0.522 nan 8.290 nan 0.000 0.533 29 P HA -0.035 nan 4.420 nan 0.000 0.217 29 P C 1.558 178.892 177.300 0.055 0.000 1.151 29 P CA 0.614 63.695 63.100 -0.032 0.000 0.828 29 P CB 0.042 31.588 31.700 -0.257 0.000 0.788 30 F N -0.328 119.596 119.950 -0.044 0.000 2.234 30 F HA -0.060 4.484 4.527 0.028 0.000 0.299 30 F C 2.203 177.979 175.800 -0.041 0.000 1.087 30 F CA 1.200 59.175 58.000 -0.041 0.000 1.340 30 F CB -0.565 38.403 39.000 -0.053 0.000 1.031 30 F HN -0.181 nan 8.300 nan 0.000 0.500 31 S N 0.193 115.834 115.700 -0.097 0.000 2.395 31 S HA -0.078 4.408 4.470 0.027 0.000 0.225 31 S C 1.898 176.373 174.600 -0.209 0.000 1.027 31 S CA 0.937 58.985 58.200 -0.254 0.000 0.965 31 S CB -0.532 62.602 63.200 -0.109 0.000 0.812 31 S HN 0.417 nan 8.310 nan 0.000 0.482 32 L N 1.945 123.140 121.223 -0.046 0.000 2.056 32 L HA 0.135 4.491 4.340 0.027 0.000 0.207 32 L C 2.376 179.297 176.870 0.085 0.000 1.078 32 L CA 1.939 56.824 54.840 0.075 0.000 0.749 32 L CB -1.050 41.107 42.059 0.164 0.000 0.901 32 L HN 0.283 nan 8.230 nan 0.000 0.433 33 A N -0.578 122.214 122.820 -0.048 0.000 1.940 33 A HA -0.119 4.217 4.320 0.027 0.000 0.219 33 A C 2.371 179.930 177.584 -0.042 0.000 1.176 33 A CA 1.710 53.723 52.037 -0.040 0.000 0.631 33 A CB -1.022 17.917 19.000 -0.101 0.000 0.814 33 A HN 0.540 nan 8.150 nan 0.000 0.446 34 A N -0.703 121.954 122.820 -0.271 0.000 2.119 34 A HA 0.166 4.503 4.320 0.027 0.000 0.216 34 A C 1.964 179.492 177.584 -0.094 0.000 1.152 34 A CA 1.072 52.937 52.037 -0.288 0.000 0.708 34 A CB -0.440 18.201 19.000 -0.597 0.000 0.805 34 A HN 0.501 nan 8.150 nan 0.000 0.460 35 I N -2.988 117.561 120.570 -0.036 0.000 2.400 35 I HA -0.160 4.026 4.170 0.027 0.000 0.248 35 I C 2.183 178.328 176.117 0.046 0.000 1.109 35 I CA 0.652 61.944 61.300 -0.013 0.000 1.425 35 I CB -0.269 37.727 38.000 -0.006 0.000 1.094 35 I HN 0.440 nan 8.210 nan 0.000 0.425 36 W N 0.482 121.779 121.300 -0.004 0.000 2.425 36 W HA -0.162 4.514 4.660 0.027 0.000 0.277 36 W C 2.396 178.948 176.519 0.055 0.000 1.231 36 W CA 0.963 58.331 57.345 0.039 0.000 1.248 36 W CB -0.512 28.953 29.460 0.009 0.000 1.117 36 W HN 0.068 nan 8.180 nan 0.000 0.568 37 F N 0.867 120.885 119.950 0.113 0.000 2.113 37 F HA -0.129 4.415 4.527 0.028 0.000 0.297 37 F C 2.239 178.011 175.800 -0.045 0.000 1.103 37 F CA 2.275 60.293 58.000 0.029 0.000 1.248 37 F CB -0.736 38.258 39.000 -0.010 0.000 0.999 37 F HN -0.163 nan 8.300 nan 0.000 0.475 38 A N 0.005 122.942 122.820 0.195 0.000 2.016 38 A HA -0.112 4.224 4.320 0.027 0.000 0.217 38 A C 2.265 179.769 177.584 -0.134 0.000 1.162 38 A CA 1.269 53.323 52.037 0.029 0.000 0.662 38 A CB -0.834 18.193 19.000 0.045 0.000 0.812 38 A HN 0.576 nan 8.150 nan 0.000 0.450 39 M N -0.538 118.976 119.600 -0.143 0.000 2.319 39 M HA -0.003 4.493 4.480 0.027 0.000 0.265 39 M C 1.934 178.073 176.300 -0.269 0.000 1.068 39 M CA 1.387 56.551 55.300 -0.226 0.000 1.118 39 M CB -0.070 32.327 32.600 -0.339 0.000 1.395 39 M HN 0.381 nan 8.290 nan 0.000 0.435 40 A N 0.278 122.972 122.820 -0.210 0.000 2.021 40 A HA 0.203 4.540 4.320 0.027 0.000 0.216 40 A C 0.958 178.304 177.584 -0.397 0.000 1.163 40 A CA 0.151 52.049 52.037 -0.230 0.000 0.676 40 A CB -0.532 18.512 19.000 0.072 0.000 0.818 40 A HN 0.491 nan 8.150 nan 0.000 0.453 41 I N 1.590 121.858 120.570 -0.503 0.000 2.389 41 I HA 0.242 4.429 4.170 0.027 0.000 0.295 41 I C -0.415 175.393 176.117 -0.514 0.000 1.117 41 I CA 0.130 61.030 61.300 -0.667 0.000 1.317 41 I CB -0.118 37.348 38.000 -0.890 0.000 1.431 41 I HN 0.508 nan 8.210 nan 0.000 0.521 42 Q N 3.423 122.925 119.800 -0.496 0.000 2.518 42 Q HA 0.274 4.631 4.340 0.027 0.000 0.254 42 Q C 0.042 175.807 176.000 -0.391 0.000 0.962 42 Q CA -0.832 54.741 55.803 -0.383 0.000 0.982 42 Q CB 0.950 29.501 28.738 -0.313 0.000 1.516 42 Q HN 0.067 nan 8.270 nan 0.000 0.426 43 V N 1.642 121.394 119.914 -0.271 0.000 2.408 43 V HA -0.495 3.641 4.120 0.027 0.000 0.234 43 V C 2.297 178.252 176.094 -0.233 0.000 1.047 43 V CA 3.863 66.072 62.300 -0.151 0.000 1.096 43 V CB -1.481 30.341 31.823 -0.002 0.000 0.917 43 V HN 1.101 nan 8.190 nan 0.000 0.479 44 A N -1.190 121.484 122.820 -0.244 0.000 1.969 44 A HA -0.329 4.007 4.320 0.027 0.000 0.223 44 A C 2.165 179.598 177.584 -0.252 0.000 1.218 44 A CA 2.744 54.613 52.037 -0.280 0.000 0.667 44 A CB -0.640 18.149 19.000 -0.352 0.000 0.826 44 A HN 0.661 nan 8.150 nan 0.000 0.472 45 I N -1.786 118.631 120.570 -0.255 0.000 2.928 45 I HA -0.091 4.095 4.170 0.027 0.000 0.266 45 I C 1.947 178.089 176.117 0.042 0.000 1.234 45 I CA 0.733 61.965 61.300 -0.113 0.000 1.483 45 I CB -0.241 37.676 38.000 -0.139 0.000 1.097 45 I HN 0.482 nan 8.210 nan 0.000 0.455 46 F N 1.010 120.957 119.950 -0.004 0.000 2.113 46 F HA -0.248 4.295 4.527 0.027 0.000 0.297 46 F C 2.414 178.147 175.800 -0.112 0.000 1.103 46 F CA 1.052 59.081 58.000 0.048 0.000 1.248 46 F CB -0.197 38.917 39.000 0.189 0.000 0.999 46 F HN -0.029 nan 8.300 nan 0.000 0.475 47 I N 0.174 120.577 120.570 -0.278 0.000 2.142 47 I HA -0.318 3.868 4.170 0.027 0.000 0.240 47 I C 2.727 178.699 176.117 -0.242 0.000 1.078 47 I CA 1.201 62.126 61.300 -0.626 0.000 1.343 47 I CB -0.741 36.755 38.000 -0.840 0.000 1.046 47 I HN 0.093 nan 8.210 nan 0.000 0.405 48 A N 0.732 123.459 122.820 -0.154 0.000 1.865 48 A HA -0.190 4.146 4.320 0.027 0.000 0.217 48 A C 2.490 180.103 177.584 0.048 0.000 1.191 48 A CA 2.126 54.093 52.037 -0.116 0.000 0.623 48 A CB -0.958 17.955 19.000 -0.145 0.000 0.826 48 A HN 0.447 nan 8.150 nan 0.000 0.444 49 A N -0.809 122.156 122.820 0.241 0.000 2.014 49 A HA 0.259 4.595 4.320 0.027 0.000 0.218 49 A C 2.305 180.009 177.584 0.199 0.000 1.163 49 A CA 1.607 53.841 52.037 0.329 0.000 0.652 49 A CB -1.162 18.011 19.000 0.288 0.000 0.808 49 A HN 0.676 nan 8.150 nan 0.000 0.449 50 G N -0.382 108.517 108.800 0.164 0.000 2.453 50 G HA2 -0.254 3.723 3.960 0.027 0.000 0.215 50 G HA3 -0.254 3.723 3.960 0.027 0.000 0.215 50 G C 1.519 176.497 174.900 0.130 0.000 1.201 50 G CA 0.953 46.149 45.100 0.161 0.000 0.784 50 G HN 0.599 nan 8.290 nan 0.000 0.545 51 Q N -0.480 119.377 119.800 0.094 0.000 2.234 51 Q HA -0.028 4.328 4.340 0.027 0.000 0.206 51 Q C 2.619 178.665 176.000 0.077 0.000 0.980 51 Q CA 0.884 56.729 55.803 0.071 0.000 0.869 51 Q CB -0.203 28.548 28.738 0.021 0.000 0.912 51 Q HN 0.372 nan 8.270 nan 0.000 0.436 52 M N 0.176 119.838 119.600 0.103 0.000 2.296 52 M HA -0.099 4.398 4.480 0.027 0.000 0.265 52 M C 2.271 178.702 176.300 0.219 0.000 1.064 52 M CA 1.546 56.954 55.300 0.180 0.000 1.109 52 M CB -1.086 31.645 32.600 0.219 0.000 1.396 52 M HN 0.328 nan 8.290 nan 0.000 0.430 53 T N -2.478 112.167 114.554 0.151 0.000 2.929 53 T HA -0.097 4.269 4.350 0.027 0.000 0.271 53 T C 1.947 176.696 174.700 0.081 0.000 1.085 53 T CA 1.562 63.734 62.100 0.120 0.000 1.125 53 T CB -0.542 68.374 68.868 0.079 0.000 0.874 53 T HN 0.359 nan 8.240 nan 0.000 0.494 54 S N 1.315 117.054 115.700 0.064 0.000 2.387 54 S HA -0.140 4.346 4.470 0.027 0.000 0.230 54 S C 2.064 176.641 174.600 -0.038 0.000 1.035 54 S CA 1.722 59.934 58.200 0.019 0.000 1.014 54 S CB -0.625 62.587 63.200 0.020 0.000 0.836 54 S HN 0.648 nan 8.310 nan 0.000 0.466 55 S N -0.650 115.014 115.700 -0.060 0.000 2.506 55 S HA 0.437 4.923 4.470 0.027 0.000 0.219 55 S C -0.155 174.041 174.600 -0.673 0.000 1.031 55 S CA -0.325 57.651 58.200 -0.373 0.000 0.911 55 S CB 0.149 63.068 63.200 -0.468 0.000 0.812 55 S HN 0.530 nan 8.310 nan 0.000 0.497 56 F N 1.477 121.431 119.950 0.007 0.000 2.664 56 F HA 0.442 4.986 4.527 0.027 0.000 0.317 56 F C -0.319 175.446 175.800 -0.059 0.000 1.108 56 F CA -1.485 56.496 58.000 -0.031 0.000 0.957 56 F CB 1.077 40.064 39.000 -0.022 0.000 1.365 56 F HN -0.178 nan 8.300 nan 0.000 0.475 57 Q N -0.138 119.693 119.800 0.053 0.000 2.260 57 Q HA 0.424 4.780 4.340 0.027 0.000 0.242 57 Q C 0.600 176.574 176.000 -0.044 0.000 0.932 57 Q CA -0.772 55.040 55.803 0.015 0.000 0.891 57 Q CB 1.676 30.467 28.738 0.090 0.000 1.222 57 Q HN 0.520 nan 8.270 nan 0.000 0.453 58 V N 1.171 121.137 119.914 0.087 0.000 2.252 58 V HA -0.344 3.793 4.120 0.027 0.000 0.255 58 V C 2.150 178.347 176.094 0.171 0.000 1.071 58 V CA 2.712 65.095 62.300 0.138 0.000 1.050 58 V CB -1.448 30.486 31.823 0.185 0.000 0.654 58 V HN 1.062 nan 8.190 nan 0.000 0.448 59 W N 1.119 122.516 121.300 0.161 0.000 2.338 59 W HA -0.241 4.435 4.660 0.026 0.000 0.304 59 W C 2.027 178.622 176.519 0.127 0.000 1.212 59 W CA 1.559 58.983 57.345 0.133 0.000 1.264 59 W CB -1.364 28.155 29.460 0.097 0.000 1.142 59 W HN 0.316 nan 8.180 nan 0.000 0.512 60 Q N 0.919 120.208 119.800 -0.852 0.000 2.170 60 Q HA -0.141 4.215 4.340 0.027 0.000 0.203 60 Q C 2.526 178.433 176.000 -0.156 0.000 0.976 60 Q CA 2.072 57.474 55.803 -0.667 0.000 0.858 60 Q CB -0.451 27.820 28.738 -0.779 0.000 0.907 60 Q HN 0.182 nan 8.270 nan 0.000 0.433 61 V N 0.932 120.801 119.914 -0.075 0.000 2.343 61 V HA -0.242 3.895 4.120 0.027 0.000 0.247 61 V C 2.082 178.151 176.094 -0.042 0.000 1.051 61 V CA 1.227 63.529 62.300 0.003 0.000 1.036 61 V CB -0.401 31.479 31.823 0.095 0.000 0.654 61 V HN 0.357 nan 8.190 nan 0.000 0.451 62 I N -0.106 120.485 120.570 0.036 0.000 2.264 62 I HA -0.188 3.998 4.170 0.027 0.000 0.248 62 I C 2.393 178.523 176.117 0.021 0.000 1.111 62 I CA 1.462 62.788 61.300 0.043 0.000 1.382 62 I CB -1.253 36.832 38.000 0.143 0.000 1.060 62 I HN 0.147 nan 8.210 nan 0.000 0.418 63 V N 0.901 120.862 119.914 0.079 0.000 2.379 63 V HA -0.137 4.000 4.120 0.027 0.000 0.245 63 V C 2.710 178.883 176.094 0.130 0.000 1.044 63 V CA 1.456 63.839 62.300 0.137 0.000 1.036 63 V CB -0.958 30.984 31.823 0.199 0.000 0.664 63 V HN 0.444 nan 8.190 nan 0.000 0.453 64 A N -0.307 122.557 122.820 0.073 0.000 2.019 64 A HA -0.156 4.180 4.320 0.027 0.000 0.219 64 A C 2.162 179.614 177.584 -0.219 0.000 1.164 64 A CA 1.686 53.649 52.037 -0.123 0.000 0.644 64 A CB -0.465 18.358 19.000 -0.295 0.000 0.805 64 A HN 0.516 nan 8.150 nan 0.000 0.449 65 I N -0.630 119.682 120.570 -0.431 0.000 2.193 65 I HA -0.211 3.975 4.170 0.027 0.000 0.240 65 I C 2.993 178.983 176.117 -0.212 0.000 1.084 65 I CA 0.961 61.910 61.300 -0.585 0.000 1.365 65 I CB -0.353 37.284 38.000 -0.604 0.000 1.064 65 I HN 0.337 nan 8.210 nan 0.000 0.410 66 A N 0.733 123.489 122.820 -0.107 0.000 1.940 66 A HA -0.227 4.110 4.320 0.027 0.000 0.219 66 A C 2.477 180.095 177.584 0.057 0.000 1.176 66 A CA 2.083 54.105 52.037 -0.025 0.000 0.631 66 A CB -0.853 18.170 19.000 0.039 0.000 0.814 66 A HN 0.469 nan 8.150 nan 0.000 0.446 67 A N -0.628 122.233 122.820 0.068 0.000 1.873 67 A HA 0.176 4.512 4.320 0.027 0.000 0.215 67 A C 2.444 180.078 177.584 0.082 0.000 1.186 67 A CA 1.820 53.920 52.037 0.104 0.000 0.616 67 A CB -1.406 17.674 19.000 0.134 0.000 0.823 67 A HN 0.757 nan 8.150 nan 0.000 0.442 68 G N -1.144 107.691 108.800 0.058 0.000 2.432 68 G HA2 -0.238 3.738 3.960 0.027 0.000 0.219 68 G HA3 -0.238 3.738 3.960 0.027 0.000 0.219 68 G C 1.552 176.506 174.900 0.090 0.000 1.135 68 G CA 1.240 46.407 45.100 0.112 0.000 0.767 68 G HN 0.507 nan 8.290 nan 0.000 0.550 69 C N 0.350 119.667 119.300 0.029 0.000 2.425 69 C HA -0.010 4.466 4.460 0.027 0.000 0.277 69 C C 3.243 178.205 174.990 -0.046 0.000 1.280 69 C CA 1.620 60.585 59.018 -0.088 0.000 1.744 69 C CB -0.853 26.786 27.740 -0.168 0.000 1.989 69 C HN 0.439 nan 8.230 nan 0.000 0.491 70 T N 0.785 115.409 114.554 0.117 0.000 2.857 70 T HA -0.023 4.344 4.350 0.027 0.000 0.266 70 T C 1.593 176.351 174.700 0.097 0.000 1.048 70 T CA 1.101 63.337 62.100 0.226 0.000 1.139 70 T CB -0.206 68.824 68.868 0.270 0.000 0.874 70 T HN 0.451 nan 8.240 nan 0.000 0.455 71 I N 1.340 121.958 120.570 0.079 0.000 2.361 71 I HA -0.156 4.031 4.170 0.027 0.000 0.251 71 I C 2.748 178.910 176.117 0.073 0.000 1.133 71 I CA 0.861 62.210 61.300 0.082 0.000 1.413 71 I CB -0.332 37.731 38.000 0.104 0.000 1.073 71 I HN 0.180 nan 8.210 nan 0.000 0.424 72 A N 0.201 123.027 122.820 0.010 0.000 1.877 72 A HA -0.168 4.169 4.320 0.027 0.000 0.216 72 A C 2.441 179.988 177.584 -0.062 0.000 1.186 72 A CA 1.844 53.848 52.037 -0.055 0.000 0.620 72 A CB -0.993 17.807 19.000 -0.332 0.000 0.822 72 A HN 0.222 nan 8.150 nan 0.000 0.443 73 V N 0.198 120.054 119.914 -0.097 0.000 2.295 73 V HA -0.289 3.847 4.120 0.027 0.000 0.246 73 V C 2.421 178.509 176.094 -0.010 0.000 1.049 73 V CA 2.126 64.376 62.300 -0.083 0.000 1.024 73 V CB -0.717 31.088 31.823 -0.029 0.000 0.648 73 V HN 0.589 nan 8.190 nan 0.000 0.447 74 I N -0.577 119.997 120.570 0.005 0.000 2.236 74 I HA -0.325 3.861 4.170 0.027 0.000 0.249 74 I C 2.295 178.537 176.117 0.208 0.000 1.102 74 I CA 1.660 62.985 61.300 0.041 0.000 1.365 74 I CB -0.310 37.725 38.000 0.058 0.000 1.051 74 I HN 0.277 nan 8.210 nan 0.000 0.420 75 L N -0.350 121.000 121.223 0.212 0.000 2.109 75 L HA -0.169 4.187 4.340 0.027 0.000 0.207 75 L C 2.447 179.480 176.870 0.272 0.000 1.086 75 L CA 1.031 56.050 54.840 0.298 0.000 0.760 75 L CB -0.219 42.002 42.059 0.270 0.000 0.910 75 L HN 0.256 nan 8.230 nan 0.000 0.437 76 L N -1.349 119.967 121.223 0.154 0.000 2.017 76 L HA -0.267 4.089 4.340 0.027 0.000 0.208 76 L C 2.482 179.396 176.870 0.073 0.000 1.073 76 L CA 1.328 56.223 54.840 0.092 0.000 0.745 76 L CB -0.592 41.450 42.059 -0.028 0.000 0.894 76 L HN 0.159 nan 8.230 nan 0.000 0.432 77 F N 0.159 120.028 119.950 -0.135 0.000 2.141 77 F HA -0.353 4.193 4.527 0.030 0.000 0.300 77 F C 1.905 177.533 175.800 -0.287 0.000 1.079 77 F CA 1.838 59.667 58.000 -0.286 0.000 1.264 77 F CB -0.145 38.555 39.000 -0.500 0.000 1.011 77 F HN -0.075 nan 8.300 nan 0.000 0.487 78 F N -0.827 119.217 119.950 0.156 0.000 2.317 78 F HA -0.027 4.514 4.527 0.023 0.000 0.290 78 F C 2.645 178.598 175.800 0.256 0.000 1.075 78 F CA 1.015 59.122 58.000 0.180 0.000 1.380 78 F CB -0.971 38.133 39.000 0.175 0.000 1.093 78 F HN -0.080 nan 8.300 nan 0.000 0.524 79 T N -1.538 113.217 114.554 0.334 0.000 3.085 79 T HA -0.141 4.226 4.350 0.027 0.000 0.263 79 T C 1.421 176.109 174.700 -0.021 0.000 1.127 79 T CA 0.995 63.223 62.100 0.214 0.000 1.103 79 T CB -0.438 68.575 68.868 0.243 0.000 0.921 79 T HN 0.532 nan 8.240 nan 0.000 0.510 80 Q N 0.229 119.994 119.800 -0.059 0.000 2.319 80 Q HA 0.323 4.679 4.340 0.027 0.000 0.209 80 Q C 2.170 178.027 176.000 -0.237 0.000 0.884 80 Q CA 0.440 56.121 55.803 -0.203 0.000 0.938 80 Q CB -0.100 28.558 28.738 -0.133 0.000 1.098 80 Q HN 0.405 nan 8.270 nan 0.000 0.517 81 S N 0.557 116.166 115.700 -0.152 0.000 2.406 81 S HA -0.006 4.480 4.470 0.027 0.000 0.228 81 S C 1.949 176.418 174.600 -0.219 0.000 1.020 81 S CA 1.025 59.149 58.200 -0.127 0.000 0.965 81 S CB -0.178 63.089 63.200 0.112 0.000 0.798 81 S HN 0.578 nan 8.310 nan 0.000 0.488 82 A N 0.868 123.422 122.820 -0.442 0.000 1.968 82 A HA 0.393 4.730 4.320 0.027 0.000 0.217 82 A C 2.350 179.814 177.584 -0.199 0.000 1.169 82 A CA 1.436 53.160 52.037 -0.522 0.000 0.638 82 A CB -1.022 17.326 19.000 -1.088 0.000 0.812 82 A HN 0.690 nan 8.150 nan 0.000 0.446 83 A N -0.050 122.624 122.820 -0.244 0.000 1.929 83 A HA 0.042 4.379 4.320 0.027 0.000 0.216 83 A C 2.067 179.578 177.584 -0.122 0.000 1.176 83 A CA 1.227 53.184 52.037 -0.133 0.000 0.628 83 A CB -0.485 18.376 19.000 -0.232 0.000 0.816 83 A HN 0.459 nan 8.150 nan 0.000 0.444 84 I N -1.136 119.321 120.570 -0.187 0.000 2.179 84 I HA -0.214 3.973 4.170 0.027 0.000 0.242 84 I C 2.788 178.812 176.117 -0.155 0.000 1.088 84 I CA 1.199 62.386 61.300 -0.188 0.000 1.357 84 I CB -0.281 37.575 38.000 -0.241 0.000 1.051 84 I HN 0.244 nan 8.210 nan 0.000 0.409 85 R N 0.379 120.736 120.500 -0.238 0.000 2.075 85 R HA -0.157 4.200 4.340 0.027 0.000 0.232 85 R C 1.478 177.511 176.300 -0.445 0.000 1.126 85 R CA 1.720 57.562 56.100 -0.429 0.000 0.963 85 R CB -0.326 29.560 30.300 -0.690 0.000 0.858 85 R HN 0.434 nan 8.270 nan 0.000 0.435 86 W N -0.814 120.493 121.300 0.011 0.000 3.127 86 W HA 0.289 4.965 4.660 0.026 0.000 0.344 86 W C 1.010 177.506 176.519 -0.038 0.000 1.151 86 W CA 0.092 57.436 57.345 -0.001 0.000 1.765 86 W CB 0.408 29.863 29.460 -0.008 0.000 1.085 86 W HN 0.304 nan 8.180 nan 0.000 0.596 87 G N 2.294 111.160 108.800 0.111 0.000 2.203 87 G HA2 -0.347 3.629 3.960 0.027 0.000 0.263 87 G HA3 -0.347 3.629 3.960 0.027 0.000 0.263 87 G C 0.187 175.116 174.900 0.047 0.000 1.012 87 G CA 0.634 45.762 45.100 0.046 0.000 0.749 87 G HN 0.440 nan 8.290 nan 0.000 0.512 88 I N -3.354 117.263 120.570 0.078 0.000 2.664 88 I HA 0.590 4.777 4.170 0.027 0.000 0.308 88 I C 0.509 176.634 176.117 0.013 0.000 0.984 88 I CA -1.474 59.856 61.300 0.049 0.000 1.213 88 I CB 0.795 38.818 38.000 0.039 0.000 1.379 88 I HN -0.121 nan 8.210 nan 0.000 0.501 89 N N 1.771 120.427 118.700 -0.074 0.000 2.273 89 N HA -0.048 4.708 4.740 0.027 0.000 0.227 89 N C 0.275 175.708 175.510 -0.130 0.000 1.292 89 N CA 0.150 53.121 53.050 -0.131 0.000 0.875 89 N CB 0.239 38.638 38.487 -0.147 0.000 1.105 89 N HN 0.784 nan 8.380 nan 0.000 0.434 90 F N 1.070 120.848 119.950 -0.287 0.000 2.060 90 F HA -0.167 4.376 4.527 0.026 0.000 0.295 90 F C 2.138 177.736 175.800 -0.336 0.000 1.120 90 F CA 1.530 59.212 58.000 -0.529 0.000 1.205 90 F CB -0.485 38.346 39.000 -0.282 0.000 0.986 90 F HN 0.424 nan 8.300 nan 0.000 0.470 91 T N 0.301 114.712 114.554 -0.239 0.000 2.720 91 T HA -0.193 4.174 4.350 0.027 0.000 0.268 91 T C 2.091 176.570 174.700 -0.369 0.000 1.037 91 T CA 1.633 63.545 62.100 -0.313 0.000 1.144 91 T CB -0.709 68.117 68.868 -0.069 0.000 0.864 91 T HN 0.158 nan 8.240 nan 0.000 0.444 92 V N 1.541 121.269 119.914 -0.309 0.000 2.343 92 V HA -0.144 3.993 4.120 0.027 0.000 0.247 92 V C 2.861 178.706 176.094 -0.415 0.000 1.051 92 V CA 1.660 63.742 62.300 -0.365 0.000 1.036 92 V CB -1.105 30.503 31.823 -0.359 0.000 0.654 92 V HN 0.544 nan 8.190 nan 0.000 0.451 93 A N -0.214 122.360 122.820 -0.410 0.000 2.019 93 A HA -0.058 4.278 4.320 0.027 0.000 0.219 93 A C 2.319 179.659 177.584 -0.406 0.000 1.164 93 A CA 1.745 53.551 52.037 -0.384 0.000 0.644 93 A CB -0.571 18.243 19.000 -0.311 0.000 0.805 93 A HN 0.580 nan 8.150 nan 0.000 0.449 94 A N -0.227 122.305 122.820 -0.481 0.000 2.067 94 A HA -0.076 4.260 4.320 0.027 0.000 0.219 94 A C 2.068 179.523 177.584 -0.216 0.000 1.158 94 A CA 1.074 52.911 52.037 -0.334 0.000 0.661 94 A CB -0.420 18.323 19.000 -0.429 0.000 0.801 94 A HN 0.552 nan 8.150 nan 0.000 0.452 95 R N -1.451 118.867 120.500 -0.305 0.000 2.200 95 R HA -0.124 4.233 4.340 0.027 0.000 0.234 95 R C 2.012 178.117 176.300 -0.326 0.000 1.127 95 R CA 1.541 57.478 56.100 -0.271 0.000 0.989 95 R CB -0.370 29.737 30.300 -0.323 0.000 0.869 95 R HN 0.608 nan 8.270 nan 0.000 0.459 96 M N 0.603 119.919 119.600 -0.475 0.000 2.091 96 M HA -0.103 4.394 4.480 0.027 0.000 0.259 96 M C -0.949 175.208 176.300 -0.238 0.000 1.076 96 M CA 1.984 56.930 55.300 -0.591 0.000 1.111 96 M CB -0.452 31.840 32.600 -0.513 0.000 1.291 96 M HN -0.048 nan 8.290 nan 0.000 0.417 97 P HA -0.030 nan 4.420 nan 0.000 0.216 97 P C 0.264 177.261 177.300 -0.505 0.000 1.156 97 P CA 1.214 64.093 63.100 -0.367 0.000 0.855 97 P CB -0.084 31.211 31.700 -0.675 0.000 0.786 98 F N 0.562 120.404 119.950 -0.181 0.000 2.373 98 F HA 0.428 4.970 4.527 0.026 0.000 0.302 98 F C 2.095 177.762 175.800 -0.222 0.000 1.247 98 F CA -0.479 57.377 58.000 -0.240 0.000 1.169 98 F CB -0.745 38.113 39.000 -0.236 0.000 1.309 98 F HN -0.095 nan 8.300 nan 0.000 0.537 99 G N -0.042 108.738 108.800 -0.034 0.000 2.570 99 G HA2 0.183 4.159 3.960 0.027 0.000 0.276 99 G HA3 0.183 4.159 3.960 0.027 0.000 0.276 99 G C 0.831 175.736 174.900 0.008 0.000 1.346 99 G CA -0.552 44.576 45.100 0.047 0.000 1.034 99 G HN 0.686 nan 8.290 nan 0.000 0.512 100 I N -0.814 119.760 120.570 0.008 0.000 2.493 100 I HA -0.080 4.106 4.170 0.027 0.000 0.254 100 I C 2.839 178.899 176.117 -0.095 0.000 1.160 100 I CA 1.067 62.327 61.300 -0.066 0.000 1.445 100 I CB -0.012 37.954 38.000 -0.057 0.000 1.086 100 I HN 0.447 nan 8.210 nan 0.000 0.433 101 R N -0.474 119.976 120.500 -0.083 0.000 2.194 101 R HA 0.139 4.495 4.340 0.027 0.000 0.194 101 R C 2.326 178.540 176.300 -0.144 0.000 0.985 101 R CA 0.692 56.730 56.100 -0.102 0.000 1.104 101 R CB -0.401 29.859 30.300 -0.067 0.000 1.092 101 R HN 0.262 nan 8.270 nan 0.000 0.555 102 G N 1.292 109.987 108.800 -0.175 0.000 2.507 102 G HA2 -0.329 3.647 3.960 0.027 0.000 0.221 102 G HA3 -0.329 3.647 3.960 0.027 0.000 0.221 102 G C 1.445 176.204 174.900 -0.235 0.000 1.119 102 G CA 1.440 46.389 45.100 -0.252 0.000 0.751 102 G HN 0.439 nan 8.290 nan 0.000 0.574 103 S N 0.504 116.105 115.700 -0.165 0.000 2.419 103 S HA 0.002 4.488 4.470 0.027 0.000 0.233 103 S C 2.228 176.653 174.600 -0.290 0.000 1.016 103 S CA 0.934 58.997 58.200 -0.229 0.000 0.974 103 S CB -0.355 62.747 63.200 -0.163 0.000 0.786 103 S HN 0.327 nan 8.310 nan 0.000 0.492 104 L N 0.299 121.388 121.223 -0.224 0.000 2.187 104 L HA -0.085 4.272 4.340 0.027 0.000 0.213 104 L C 2.360 179.115 176.870 -0.191 0.000 1.100 104 L CA 1.008 55.737 54.840 -0.185 0.000 0.765 104 L CB -0.627 41.350 42.059 -0.137 0.000 0.904 104 L HN 0.342 nan 8.230 nan 0.000 0.437 105 I N 0.095 120.513 120.570 -0.253 0.000 2.086 105 I HA -0.186 4.001 4.170 0.027 0.000 0.233 105 I C -0.164 175.770 176.117 -0.306 0.000 1.060 105 I CA 1.446 62.592 61.300 -0.257 0.000 1.326 105 I CB -1.381 36.452 38.000 -0.279 0.000 1.067 105 I HN 0.158 nan 8.210 nan 0.000 0.398 106 P HA -0.182 nan 4.420 nan 0.000 0.216 106 P C 1.940 179.113 177.300 -0.212 0.000 1.150 106 P CA 1.826 64.650 63.100 -0.459 0.000 0.837 106 P CB -0.109 31.122 31.700 -0.783 0.000 0.786 107 I N -0.417 120.037 120.570 -0.193 0.000 2.361 107 I HA -0.190 3.996 4.170 0.027 0.000 0.251 107 I C 2.284 178.399 176.117 -0.003 0.000 1.133 107 I CA 1.517 62.804 61.300 -0.023 0.000 1.413 107 I CB -0.710 37.245 38.000 -0.074 0.000 1.073 107 I HN -0.002 nan 8.210 nan 0.000 0.424 108 T N 0.737 115.255 114.554 -0.059 0.000 2.821 108 T HA -0.133 4.233 4.350 0.027 0.000 0.267 108 T C 1.905 176.592 174.700 -0.023 0.000 1.046 108 T CA 0.931 63.012 62.100 -0.032 0.000 1.139 108 T CB -0.208 68.636 68.868 -0.041 0.000 0.871 108 T HN 0.215 nan 8.240 nan 0.000 0.454 109 L N 0.974 122.171 121.223 -0.044 0.000 1.990 109 L HA -0.161 4.195 4.340 0.027 0.000 0.213 109 L C 2.675 179.544 176.870 -0.002 0.000 1.072 109 L CA 1.640 56.462 54.840 -0.030 0.000 0.755 109 L CB -0.212 41.821 42.059 -0.043 0.000 0.889 109 L HN 0.049 nan 8.230 nan 0.000 0.432 110 K N -0.444 119.971 120.400 0.025 0.000 2.103 110 K HA -0.062 4.274 4.320 0.027 0.000 0.204 110 K C 1.966 178.589 176.600 0.038 0.000 1.052 110 K CA 1.254 57.566 56.287 0.041 0.000 0.945 110 K CB -0.108 32.434 32.500 0.070 0.000 0.722 110 K HN 0.371 nan 8.250 nan 0.000 0.443 111 A N 1.395 124.242 122.820 0.045 0.000 2.019 111 A HA -0.099 4.237 4.320 0.027 0.000 0.219 111 A C 2.276 179.884 177.584 0.040 0.000 1.164 111 A CA 0.991 53.054 52.037 0.042 0.000 0.644 111 A CB -0.407 18.614 19.000 0.036 0.000 0.805 111 A HN 0.276 nan 8.150 nan 0.000 0.449 112 L N -0.756 120.483 121.223 0.026 0.000 2.005 112 L HA -0.161 4.196 4.340 0.027 0.000 0.207 112 L C 2.588 179.477 176.870 0.032 0.000 1.072 112 L CA 1.042 55.894 54.840 0.020 0.000 0.744 112 L CB -0.515 41.538 42.059 -0.010 0.000 0.895 112 L HN 0.383 nan 8.230 nan 0.000 0.433 113 L N -0.990 120.245 121.223 0.020 0.000 1.990 113 L HA -0.296 4.061 4.340 0.027 0.000 0.213 113 L C 2.780 179.775 176.870 0.209 0.000 1.072 113 L CA 1.530 56.408 54.840 0.062 0.000 0.755 113 L CB -0.626 41.504 42.059 0.119 0.000 0.889 113 L HN 0.241 nan 8.230 nan 0.000 0.432 114 S N -0.198 115.618 115.700 0.193 0.000 2.359 114 S HA -0.173 4.313 4.470 0.027 0.000 0.224 114 S C 1.952 176.706 174.600 0.258 0.000 1.035 114 S CA 1.261 59.599 58.200 0.229 0.000 1.018 114 S CB -0.264 63.010 63.200 0.122 0.000 0.876 114 S HN 0.268 nan 8.310 nan 0.000 0.448 115 L N -0.250 121.079 121.223 0.177 0.000 2.046 115 L HA -0.137 4.219 4.340 0.027 0.000 0.208 115 L C 2.180 179.189 176.870 0.232 0.000 1.077 115 L CA 1.462 56.410 54.840 0.180 0.000 0.747 115 L CB -0.532 41.585 42.059 0.096 0.000 0.896 115 L HN 0.334 nan 8.230 nan 0.000 0.432 116 F N 0.076 120.021 119.950 -0.008 0.000 2.026 116 F HA -0.291 4.253 4.527 0.028 0.000 0.296 116 F C 2.166 177.945 175.800 -0.035 0.000 1.133 116 F CA 1.903 59.812 58.000 -0.151 0.000 1.188 116 F CB -0.591 38.142 39.000 -0.446 0.000 0.968 116 F HN -0.028 nan 8.300 nan 0.000 0.476 117 W N -0.701 120.801 121.300 0.337 0.000 2.350 117 W HA -0.220 4.457 4.660 0.028 0.000 0.289 117 W C 2.372 179.014 176.519 0.205 0.000 1.215 117 W CA 0.840 58.331 57.345 0.243 0.000 1.236 117 W CB -0.843 28.757 29.460 0.234 0.000 1.130 117 W HN 0.185 nan 8.180 nan 0.000 0.541 118 F N 1.282 121.408 119.950 0.293 0.000 2.120 118 F HA -0.164 4.379 4.527 0.027 0.000 0.300 118 F C 2.198 178.111 175.800 0.190 0.000 1.095 118 F CA 2.266 60.384 58.000 0.197 0.000 1.249 118 F CB -0.873 38.199 39.000 0.120 0.000 0.995 118 F HN -0.157 nan 8.300 nan 0.000 0.480 119 G N -0.952 107.867 108.800 0.032 0.000 2.421 119 G HA2 -0.264 3.713 3.960 0.027 0.000 0.217 119 G HA3 -0.264 3.713 3.960 0.027 0.000 0.217 119 G C 1.588 176.611 174.900 0.205 0.000 1.143 119 G CA 0.591 45.728 45.100 0.061 0.000 0.784 119 G HN 0.437 nan 8.290 nan 0.000 0.541 120 F N 1.546 121.509 119.950 0.023 0.000 2.075 120 F HA -0.067 4.477 4.527 0.028 0.000 0.297 120 F C 2.907 178.853 175.800 0.244 0.000 1.113 120 F CA 1.769 59.871 58.000 0.171 0.000 1.218 120 F CB -0.111 39.024 39.000 0.226 0.000 0.984 120 F HN 0.138 nan 8.300 nan 0.000 0.472 121 Q N -0.951 118.949 119.800 0.166 0.000 2.230 121 Q HA -0.125 4.231 4.340 0.027 0.000 0.202 121 Q C 2.116 178.069 176.000 -0.078 0.000 0.963 121 Q CA 1.684 57.491 55.803 0.006 0.000 0.866 121 Q CB -0.688 28.097 28.738 0.078 0.000 0.931 121 Q HN 0.377 nan 8.270 nan 0.000 0.452 122 T N 0.510 114.961 114.554 -0.171 0.000 2.788 122 T HA -0.170 4.196 4.350 0.027 0.000 0.268 122 T C 1.116 175.755 174.700 -0.102 0.000 1.044 122 T CA 1.113 63.136 62.100 -0.128 0.000 1.139 122 T CB -0.287 68.347 68.868 -0.389 0.000 0.867 122 T HN 0.465 nan 8.240 nan 0.000 0.454 123 W N 1.856 122.900 121.300 -0.426 0.000 2.354 123 W HA -0.063 4.613 4.660 0.027 0.000 0.315 123 W C 1.754 177.980 176.519 -0.488 0.000 1.206 123 W CA 0.925 57.926 57.345 -0.572 0.000 1.290 123 W CB -0.688 28.382 29.460 -0.651 0.000 1.152 123 W HN 0.158 nan 8.180 nan 0.000 0.489 124 L N 0.323 121.262 121.223 -0.473 0.000 2.042 124 L HA -0.156 4.200 4.340 0.027 0.000 0.210 124 L C 2.617 179.137 176.870 -0.583 0.000 1.076 124 L CA 1.555 56.040 54.840 -0.590 0.000 0.749 124 L CB -1.760 40.078 42.059 -0.367 0.000 0.893 124 L HN 0.255 nan 8.230 nan 0.000 0.432 125 G N -0.201 108.248 108.800 -0.585 0.000 2.446 125 G HA2 -0.262 3.715 3.960 0.027 0.000 0.217 125 G HA3 -0.262 3.715 3.960 0.027 0.000 0.217 125 G C 1.796 176.038 174.900 -1.096 0.000 1.168 125 G CA 0.908 45.396 45.100 -1.020 0.000 0.771 125 G HN 0.476 nan 8.290 nan 0.000 0.551 126 A N 0.591 122.915 122.820 -0.826 0.000 1.902 126 A HA 0.059 4.395 4.320 0.027 0.000 0.217 126 A C 2.457 179.664 177.584 -0.629 0.000 1.181 126 A CA 1.381 53.051 52.037 -0.611 0.000 0.623 126 A CB -0.490 18.300 19.000 -0.350 0.000 0.818 126 A HN 0.356 nan 8.150 nan 0.000 0.443 127 L N -0.808 120.005 121.223 -0.683 0.000 2.043 127 L HA -0.275 4.082 4.340 0.027 0.000 0.212 127 L C 3.111 179.669 176.870 -0.520 0.000 1.075 127 L CA 1.258 55.732 54.840 -0.610 0.000 0.752 127 L CB -0.520 41.105 42.059 -0.724 0.000 0.891 127 L HN 0.478 nan 8.230 nan 0.000 0.432 128 A N -0.043 122.450 122.820 -0.545 0.000 1.855 128 A HA -0.156 4.180 4.320 0.027 0.000 0.215 128 A C 2.185 179.449 177.584 -0.532 0.000 1.191 128 A CA 1.425 53.194 52.037 -0.448 0.000 0.613 128 A CB -0.739 18.021 19.000 -0.399 0.000 0.829 128 A HN 0.337 nan 8.150 nan 0.000 0.442 129 L N -0.523 120.235 121.223 -0.775 0.000 2.083 129 L HA -0.182 4.174 4.340 0.027 0.000 0.209 129 L C 2.291 178.498 176.870 -1.105 0.000 1.083 129 L CA 1.631 55.852 54.840 -1.033 0.000 0.752 129 L CB -0.478 40.639 42.059 -1.571 0.000 0.899 129 L HN 0.381 nan 8.230 nan 0.000 0.433 130 D N -0.231 119.568 120.400 -1.000 0.000 2.144 130 D HA -0.211 4.445 4.640 0.027 0.000 0.200 130 D C 2.095 178.213 176.300 -0.303 0.000 0.978 130 D CA 0.844 54.485 54.000 -0.597 0.000 0.833 130 D CB 0.211 40.809 40.800 -0.336 0.000 0.961 130 D HN 0.147 nan 8.370 nan 0.000 0.470 131 E N 0.084 120.102 120.200 -0.304 0.000 2.077 131 E HA -0.096 4.270 4.350 0.027 0.000 0.193 131 E C 2.153 178.662 176.600 -0.151 0.000 0.989 131 E CA 0.884 57.169 56.400 -0.192 0.000 0.800 131 E CB -0.297 29.297 29.700 -0.177 0.000 0.746 131 E HN 0.406 nan 8.360 nan 0.000 0.452 132 I N 0.450 120.900 120.570 -0.200 0.000 2.226 132 I HA -0.293 3.894 4.170 0.027 0.000 0.245 132 I C 2.470 178.550 176.117 -0.061 0.000 1.100 132 I CA 1.744 62.964 61.300 -0.133 0.000 1.374 132 I CB -0.875 37.026 38.000 -0.165 0.000 1.057 132 I HN 0.306 nan 8.210 nan 0.000 0.413 133 T N 0.231 114.759 114.554 -0.043 0.000 2.812 133 T HA -0.189 4.178 4.350 0.027 0.000 0.264 133 T C 1.937 176.706 174.700 0.116 0.000 1.042 133 T CA 1.206 63.381 62.100 0.125 0.000 1.140 133 T CB -0.425 68.674 68.868 0.386 0.000 0.870 133 T HN 0.352 nan 8.240 nan 0.000 0.445 134 R N 1.505 122.042 120.500 0.061 0.000 2.235 134 R HA 0.248 4.604 4.340 0.027 0.000 0.213 134 R C 1.906 178.223 176.300 0.029 0.000 1.059 134 R CA 0.900 57.032 56.100 0.054 0.000 0.997 134 R CB -1.125 29.179 30.300 0.007 0.000 0.884 134 R HN 0.440 nan 8.270 nan 0.000 0.462 135 L N 0.380 121.606 121.223 0.005 0.000 2.645 135 L HA 0.217 4.573 4.340 0.027 0.000 0.235 135 L C 1.004 177.881 176.870 0.011 0.000 1.150 135 L CA 0.262 55.100 54.840 -0.003 0.000 0.911 135 L CB -0.034 42.010 42.059 -0.024 0.000 1.077 135 L HN 0.295 nan 8.230 nan 0.000 0.438 136 L N -1.768 119.476 121.223 0.036 0.000 3.360 136 L HA 0.163 4.520 4.340 0.027 0.000 0.303 136 L C 0.599 177.505 176.870 0.059 0.000 1.218 136 L CA 0.267 55.132 54.840 0.042 0.000 1.059 136 L CB 0.948 43.036 42.059 0.049 0.000 1.468 136 L HN 0.106 nan 8.230 nan 0.000 0.614 137 T N -2.266 112.336 114.554 0.080 0.000 3.664 137 T HA 0.104 4.470 4.350 0.027 0.000 0.301 137 T C 1.160 175.937 174.700 0.128 0.000 0.877 137 T CA 0.358 62.520 62.100 0.104 0.000 0.864 137 T CB 0.957 69.912 68.868 0.145 0.000 1.209 137 T HN 0.196 nan 8.240 nan 0.000 0.764 138 G N 2.034 110.896 108.800 0.103 0.000 2.284 138 G HA2 -0.345 3.632 3.960 0.027 0.000 0.268 138 G HA3 -0.345 3.632 3.960 0.027 0.000 0.268 138 G C 0.112 175.098 174.900 0.143 0.000 0.980 138 G CA 0.610 45.767 45.100 0.095 0.000 0.631 138 G HN 0.619 nan 8.290 nan 0.000 0.548 139 F N 2.600 122.571 119.950 0.034 0.000 2.543 139 F HA 0.502 5.046 4.527 0.028 0.000 0.375 139 F C 0.591 176.432 175.800 0.068 0.000 1.075 139 F CA 0.806 58.832 58.000 0.043 0.000 1.225 139 F CB 0.999 40.026 39.000 0.045 0.000 1.099 139 F HN -0.057 nan 8.300 nan 0.000 0.561 140 T N 5.345 119.583 114.554 -0.526 0.000 3.658 140 T HA 0.094 4.461 4.350 0.027 0.000 0.245 140 T C -0.656 173.766 174.700 -0.463 0.000 1.292 140 T CA -0.613 61.254 62.100 -0.388 0.000 1.598 140 T CB -0.575 68.197 68.868 -0.160 0.000 0.861 140 T HN 0.504 nan 8.240 nan 0.000 0.663 141 N N 1.907 120.157 118.700 -0.750 0.000 2.426 141 N HA 0.342 5.099 4.740 0.027 0.000 0.257 141 N C 0.523 175.958 175.510 -0.124 0.000 1.002 141 N CA -0.703 52.105 53.050 -0.403 0.000 0.942 141 N CB 1.395 39.630 38.487 -0.420 0.000 1.112 141 N HN 0.215 nan 8.380 nan 0.000 0.499 142 L N 7.049 128.238 121.223 -0.055 0.000 2.130 142 L HA 0.375 4.731 4.340 0.027 0.000 0.200 142 L C -1.042 175.846 176.870 0.029 0.000 1.075 142 L CA 0.921 55.766 54.840 0.008 0.000 0.768 142 L CB -0.693 41.346 42.059 -0.034 0.000 0.933 142 L HN 0.464 nan 8.230 nan 0.000 0.451 143 P HA -0.205 nan 4.420 nan 0.000 0.216 143 P C 1.927 179.241 177.300 0.024 0.000 1.150 143 P CA 1.522 64.642 63.100 0.033 0.000 0.843 143 P CB -0.136 31.594 31.700 0.051 0.000 0.787 144 L N -2.180 119.035 121.223 -0.013 0.000 2.046 144 L HA -0.062 4.294 4.340 0.027 0.000 0.208 144 L C 2.162 178.997 176.870 -0.058 0.000 1.077 144 L CA 1.765 56.566 54.840 -0.066 0.000 0.747 144 L CB -1.133 40.843 42.059 -0.137 0.000 0.896 144 L HN -0.055 nan 8.230 nan 0.000 0.432 145 W N -0.371 120.895 121.300 -0.056 0.000 2.467 145 W HA -0.062 4.615 4.660 0.028 0.000 0.275 145 W C 2.311 178.776 176.519 -0.089 0.000 1.239 145 W CA 0.357 57.654 57.345 -0.080 0.000 1.266 145 W CB 0.069 29.441 29.460 -0.148 0.000 1.112 145 W HN 0.154 nan 8.180 nan 0.000 0.576 146 I N -0.468 120.185 120.570 0.139 0.000 2.058 146 I HA -0.368 3.819 4.170 0.027 0.000 0.235 146 I C 2.214 178.389 176.117 0.095 0.000 1.053 146 I CA 1.484 62.802 61.300 0.030 0.000 1.313 146 I CB -1.255 36.692 38.000 -0.088 0.000 1.039 146 I HN -0.232 nan 8.210 nan 0.000 0.396 147 V N 1.588 121.547 119.914 0.075 0.000 2.222 147 V HA -0.363 3.773 4.120 0.027 0.000 0.252 147 V C 2.354 178.499 176.094 0.086 0.000 1.060 147 V CA 2.456 64.800 62.300 0.073 0.000 1.027 147 V CB -0.623 31.230 31.823 0.050 0.000 0.644 147 V HN 0.356 nan 8.190 nan 0.000 0.448 148 I N -1.193 119.432 120.570 0.091 0.000 2.229 148 I HA -0.332 3.855 4.170 0.027 0.000 0.250 148 I C 2.265 178.501 176.117 0.199 0.000 1.096 148 I CA 2.090 63.462 61.300 0.120 0.000 1.358 148 I CB -0.432 37.609 38.000 0.069 0.000 1.047 148 I HN 0.330 nan 8.210 nan 0.000 0.422 149 F N 1.414 121.396 119.950 0.052 0.000 2.118 149 F HA 0.018 4.561 4.527 0.027 0.000 0.293 149 F C 2.421 178.168 175.800 -0.089 0.000 1.102 149 F CA 1.355 59.310 58.000 -0.075 0.000 1.247 149 F CB -1.075 37.831 39.000 -0.157 0.000 1.017 149 F HN -0.007 nan 8.300 nan 0.000 0.475 150 G N 0.080 108.851 108.800 -0.048 0.000 2.547 150 G HA2 -0.374 3.603 3.960 0.027 0.000 0.221 150 G HA3 -0.374 3.603 3.960 0.027 0.000 0.221 150 G C 1.822 176.681 174.900 -0.069 0.000 1.140 150 G CA 1.294 46.370 45.100 -0.040 0.000 0.760 150 G HN 0.621 nan 8.290 nan 0.000 0.583 151 A N 0.471 123.261 122.820 -0.050 0.000 1.873 151 A HA 0.102 4.438 4.320 0.027 0.000 0.215 151 A C 2.430 179.946 177.584 -0.114 0.000 1.186 151 A CA 1.368 53.370 52.037 -0.058 0.000 0.616 151 A CB -0.343 18.654 19.000 -0.005 0.000 0.823 151 A HN 0.375 nan 8.150 nan 0.000 0.442 152 I N -0.239 120.250 120.570 -0.136 0.000 2.286 152 I HA -0.328 3.859 4.170 0.027 0.000 0.248 152 I C 2.791 178.821 176.117 -0.146 0.000 1.115 152 I CA 1.535 62.769 61.300 -0.110 0.000 1.392 152 I CB -0.315 37.627 38.000 -0.096 0.000 1.065 152 I HN 0.440 nan 8.210 nan 0.000 0.418 153 Q N -0.196 119.405 119.800 -0.333 0.000 2.050 153 Q HA -0.174 4.183 4.340 0.027 0.000 0.202 153 Q C 2.442 178.336 176.000 -0.178 0.000 0.980 153 Q CA 1.572 57.264 55.803 -0.185 0.000 0.840 153 Q CB -0.303 28.286 28.738 -0.250 0.000 0.898 153 Q HN 0.355 nan 8.270 nan 0.000 0.424 154 V N 0.560 120.321 119.914 -0.255 0.000 2.324 154 V HA -0.257 3.880 4.120 0.027 0.000 0.250 154 V C 2.213 177.809 176.094 -0.830 0.000 1.060 154 V CA 1.679 63.695 62.300 -0.474 0.000 1.042 154 V CB -0.424 31.154 31.823 -0.409 0.000 0.650 154 V HN 0.214 nan 8.190 nan 0.000 0.450 155 V N 0.496 120.076 119.914 -0.557 0.000 2.453 155 V HA -0.180 3.956 4.120 0.027 0.000 0.247 155 V C 2.643 178.616 176.094 -0.202 0.000 1.048 155 V CA 2.160 64.192 62.300 -0.448 0.000 1.049 155 V CB -1.122 30.651 31.823 -0.083 0.000 0.672 155 V HN 0.813 nan 8.190 nan 0.000 0.457 156 T N -2.920 111.485 114.554 -0.248 0.000 2.995 156 T HA -0.139 4.227 4.350 0.027 0.000 0.269 156 T C 1.681 176.193 174.700 -0.314 0.000 1.091 156 T CA 1.622 63.421 62.100 -0.501 0.000 1.128 156 T CB -0.480 67.618 68.868 -1.283 0.000 0.891 156 T HN 0.433 nan 8.240 nan 0.000 0.492 157 T N 1.219 115.670 114.554 -0.172 0.000 3.023 157 T HA 0.219 4.585 4.350 0.027 0.000 0.266 157 T C 1.329 176.149 174.700 0.201 0.000 1.093 157 T CA 0.352 62.477 62.100 0.043 0.000 1.129 157 T CB -0.573 68.273 68.868 -0.036 0.000 0.899 157 T HN 0.474 nan 8.240 nan 0.000 0.491 158 F N 0.421 120.392 119.950 0.035 0.000 2.184 158 F HA -0.186 4.357 4.527 0.027 0.000 0.301 158 F C 1.487 177.279 175.800 -0.013 0.000 1.076 158 F CA 0.774 58.759 58.000 -0.025 0.000 1.295 158 F CB -0.505 38.362 39.000 -0.222 0.000 1.026 158 F HN 0.242 nan 8.300 nan 0.000 0.494 159 Y N 0.800 121.302 120.300 0.335 0.000 2.519 159 Y HA 0.162 4.728 4.550 0.027 0.000 0.311 159 Y C 1.757 177.824 175.900 0.279 0.000 1.207 159 Y CA 0.067 58.336 58.100 0.282 0.000 1.289 159 Y CB -0.991 37.628 38.460 0.264 0.000 1.059 159 Y HN 0.138 nan 8.280 nan 0.000 0.507 160 G N 1.241 110.278 108.800 0.394 0.000 2.629 160 G HA2 -0.409 3.567 3.960 0.027 0.000 0.335 160 G HA3 -0.409 3.567 3.960 0.027 0.000 0.335 160 G C 1.257 176.325 174.900 0.280 0.000 1.347 160 G CA 0.603 45.868 45.100 0.275 0.000 0.979 160 G HN 0.415 nan 8.290 nan 0.000 0.534 161 I N 1.530 122.206 120.570 0.177 0.000 2.850 161 I HA -0.140 4.047 4.170 0.027 0.000 0.266 161 I C 2.787 178.992 176.117 0.147 0.000 1.257 161 I CA 2.129 63.515 61.300 0.144 0.000 1.465 161 I CB -0.534 37.516 38.000 0.083 0.000 1.091 161 I HN 0.587 nan 8.210 nan 0.000 0.467 162 T N 0.863 115.557 114.554 0.234 0.000 2.708 162 T HA -0.238 4.129 4.350 0.027 0.000 0.266 162 T C 1.541 176.445 174.700 0.340 0.000 1.037 162 T CA 1.701 63.974 62.100 0.290 0.000 1.146 162 T CB -0.487 68.598 68.868 0.360 0.000 0.865 162 T HN 0.416 nan 8.240 nan 0.000 0.435 163 F N 1.846 121.930 119.950 0.223 0.000 2.060 163 F HA -0.004 4.539 4.527 0.027 0.000 0.295 163 F C 2.032 177.882 175.800 0.082 0.000 1.120 163 F CA 0.845 58.935 58.000 0.151 0.000 1.205 163 F CB -0.652 38.432 39.000 0.139 0.000 0.986 163 F HN 0.016 nan 8.300 nan 0.000 0.470 164 I N 0.767 121.295 120.570 -0.069 0.000 2.121 164 I HA -0.431 3.756 4.170 0.027 0.000 0.243 164 I C 2.762 178.685 176.117 -0.324 0.000 1.047 164 I CA 2.259 63.414 61.300 -0.242 0.000 1.308 164 I CB -0.613 37.392 38.000 0.009 0.000 1.015 164 I HN 0.234 nan 8.210 nan 0.000 0.410 165 R N -0.048 120.307 120.500 -0.242 0.000 2.090 165 R HA -0.174 4.183 4.340 0.027 0.000 0.228 165 R C 2.151 178.151 176.300 -0.499 0.000 1.110 165 R CA 1.467 57.344 56.100 -0.371 0.000 0.973 165 R CB -0.314 29.733 30.300 -0.421 0.000 0.869 165 R HN 0.364 nan 8.270 nan 0.000 0.440 166 W N 0.587 121.743 121.300 -0.241 0.000 2.453 166 W HA -0.048 4.629 4.660 0.029 0.000 0.289 166 W C 2.344 178.673 176.519 -0.316 0.000 1.215 166 W CA 0.643 57.833 57.345 -0.259 0.000 1.297 166 W CB -0.111 29.282 29.460 -0.112 0.000 1.113 166 W HN 0.150 nan 8.180 nan 0.000 0.551 167 M N 0.725 120.151 119.600 -0.291 0.000 2.159 167 M HA -0.137 4.359 4.480 0.027 0.000 0.263 167 M C 1.157 177.302 176.300 -0.258 0.000 1.063 167 M CA 2.024 57.078 55.300 -0.410 0.000 1.110 167 M CB -0.481 31.431 32.600 -1.148 0.000 1.374 167 M HN -0.216 nan 8.290 nan 0.000 0.411 168 N N -0.290 118.241 118.700 -0.281 0.000 2.354 168 N HA 0.002 4.758 4.740 0.027 0.000 0.179 168 N C 1.515 176.931 175.510 -0.157 0.000 1.021 168 N CA 1.242 54.185 53.050 -0.178 0.000 0.887 168 N CB -0.191 38.193 38.487 -0.172 0.000 0.974 168 N HN 0.288 nan 8.380 nan 0.000 0.437 169 V N -0.159 119.603 119.914 -0.254 0.000 2.453 169 V HA -0.099 4.038 4.120 0.027 0.000 0.247 169 V C 1.478 177.445 176.094 -0.213 0.000 1.048 169 V CA 1.314 63.436 62.300 -0.296 0.000 1.049 169 V CB -0.572 30.989 31.823 -0.437 0.000 0.672 169 V HN 0.224 nan 8.190 nan 0.000 0.457 170 F N 0.371 120.347 119.950 0.045 0.000 2.293 170 F HA 0.067 4.611 4.527 0.028 0.000 0.297 170 F C 2.469 178.284 175.800 0.024 0.000 1.089 170 F CA 0.752 58.780 58.000 0.047 0.000 1.377 170 F CB -0.401 38.631 39.000 0.053 0.000 1.051 170 F HN 0.094 nan 8.300 nan 0.000 0.511 171 A N -0.365 122.542 122.820 0.145 0.000 1.902 171 A HA -0.167 4.170 4.320 0.027 0.000 0.217 171 A C 2.315 179.974 177.584 0.125 0.000 1.181 171 A CA 1.871 53.974 52.037 0.110 0.000 0.623 171 A CB -1.048 17.980 19.000 0.047 0.000 0.818 171 A HN 0.266 nan 8.150 nan 0.000 0.443 172 S N 0.056 115.803 115.700 0.079 0.000 2.380 172 S HA -0.147 4.340 4.470 0.027 0.000 0.229 172 S C -0.025 174.581 174.600 0.010 0.000 1.050 172 S CA 2.037 60.264 58.200 0.045 0.000 1.100 172 S CB -1.010 62.083 63.200 -0.178 0.000 0.984 172 S HN 0.636 nan 8.310 nan 0.000 0.434 173 P HA 0.020 nan 4.420 nan 0.000 0.217 173 P C 1.554 178.937 177.300 0.137 0.000 1.151 173 P CA 0.899 64.023 63.100 0.041 0.000 0.828 173 P CB -0.206 31.532 31.700 0.064 0.000 0.788 174 V N 0.911 120.921 119.914 0.161 0.000 2.255 174 V HA -0.240 3.897 4.120 0.027 0.000 0.247 174 V C 2.889 179.147 176.094 0.274 0.000 1.051 174 V CA 1.677 64.090 62.300 0.188 0.000 1.018 174 V CB -1.315 30.610 31.823 0.171 0.000 0.641 174 V HN 0.012 nan 8.190 nan 0.000 0.445 175 L N -0.856 120.555 121.223 0.312 0.000 2.042 175 L HA -0.222 4.135 4.340 0.027 0.000 0.210 175 L C 2.501 179.744 176.870 0.622 0.000 1.076 175 L CA 1.502 56.618 54.840 0.459 0.000 0.749 175 L CB -0.612 41.648 42.059 0.336 0.000 0.893 175 L HN 0.370 nan 8.230 nan 0.000 0.432 176 L N 0.033 121.581 121.223 0.542 0.000 2.079 176 L HA -0.172 4.185 4.340 0.027 0.000 0.210 176 L C 2.518 179.612 176.870 0.372 0.000 1.081 176 L CA 2.123 57.287 54.840 0.539 0.000 0.752 176 L CB -0.685 41.571 42.059 0.328 0.000 0.896 176 L HN 0.151 nan 8.230 nan 0.000 0.433 177 A N -0.840 122.152 122.820 0.287 0.000 1.874 177 A HA -0.138 4.199 4.320 0.027 0.000 0.214 177 A C 2.222 179.963 177.584 0.263 0.000 1.189 177 A CA 1.554 53.723 52.037 0.219 0.000 0.615 177 A CB -0.505 18.585 19.000 0.149 0.000 0.830 177 A HN 0.482 nan 8.150 nan 0.000 0.443 178 M N -0.222 119.568 119.600 0.318 0.000 2.192 178 M HA -0.172 4.324 4.480 0.027 0.000 0.259 178 M C 2.111 178.591 176.300 0.300 0.000 1.071 178 M CA 1.503 57.014 55.300 0.353 0.000 1.082 178 M CB -0.608 32.276 32.600 0.474 0.000 1.373 178 M HN 0.535 nan 8.290 nan 0.000 0.408 179 G N -0.524 108.467 108.800 0.320 0.000 2.408 179 G HA2 -0.067 3.910 3.960 0.027 0.000 0.213 179 G HA3 -0.067 3.910 3.960 0.027 0.000 0.213 179 G C 1.485 176.391 174.900 0.010 0.000 1.177 179 G CA 0.216 45.358 45.100 0.071 0.000 0.802 179 G HN 0.274 nan 8.290 nan 0.000 0.533 180 V N 0.110 120.093 119.914 0.115 0.000 2.407 180 V HA -0.198 3.939 4.120 0.027 0.000 0.248 180 V C 2.299 178.504 176.094 0.185 0.000 1.055 180 V CA 1.806 64.177 62.300 0.119 0.000 1.049 180 V CB -0.571 31.329 31.823 0.128 0.000 0.662 180 V HN 0.476 nan 8.190 nan 0.000 0.455 181 Y N -0.047 120.303 120.300 0.083 0.000 2.128 181 Y HA -0.303 4.263 4.550 0.027 0.000 0.284 181 Y C 2.454 178.442 175.900 0.147 0.000 1.154 181 Y CA 1.999 60.165 58.100 0.110 0.000 1.149 181 Y CB -0.349 38.167 38.460 0.093 0.000 0.976 181 Y HN 0.178 nan 8.280 nan 0.000 0.505 182 M N -1.393 118.219 119.600 0.019 0.000 2.082 182 M HA -0.279 4.218 4.480 0.027 0.000 0.258 182 M C 2.083 178.301 176.300 -0.136 0.000 1.069 182 M CA 1.977 57.191 55.300 -0.145 0.000 1.102 182 M CB -0.503 31.978 32.600 -0.197 0.000 1.336 182 M HN 0.167 nan 8.290 nan 0.000 0.404 183 V N -0.640 119.245 119.914 -0.048 0.000 2.392 183 V HA -0.309 3.827 4.120 0.027 0.000 0.249 183 V C 2.013 178.113 176.094 0.010 0.000 1.059 183 V CA 2.058 64.369 62.300 0.018 0.000 1.051 183 V CB -0.876 31.005 31.823 0.098 0.000 0.658 183 V HN 0.520 nan 8.190 nan 0.000 0.455 184 Y N 0.275 120.527 120.300 -0.079 0.000 2.114 184 Y HA -0.214 4.352 4.550 0.027 0.000 0.284 184 Y C 2.272 178.085 175.900 -0.144 0.000 1.143 184 Y CA 1.736 59.788 58.100 -0.079 0.000 1.135 184 Y CB -0.316 38.124 38.460 -0.032 0.000 0.980 184 Y HN 0.122 nan 8.280 nan 0.000 0.499 185 L N -0.301 120.779 121.223 -0.238 0.000 2.051 185 L HA -0.342 4.015 4.340 0.027 0.000 0.214 185 L C 2.582 179.275 176.870 -0.295 0.000 1.076 185 L CA 1.982 56.631 54.840 -0.318 0.000 0.758 185 L CB -0.551 41.337 42.059 -0.286 0.000 0.890 185 L HN 0.440 nan 8.230 nan 0.000 0.433 186 M N -0.930 118.528 119.600 -0.236 0.000 2.074 186 M HA -0.229 4.268 4.480 0.027 0.000 0.259 186 M C 2.334 178.526 176.300 -0.180 0.000 1.079 186 M CA 1.724 56.910 55.300 -0.191 0.000 1.119 186 M CB -0.457 32.042 32.600 -0.167 0.000 1.297 186 M HN 0.177 nan 8.290 nan 0.000 0.416 187 L N 0.070 121.204 121.223 -0.149 0.000 2.010 187 L HA -0.328 4.029 4.340 0.027 0.000 0.219 187 L C 2.130 178.897 176.870 -0.172 0.000 1.077 187 L CA 1.980 56.752 54.840 -0.114 0.000 0.773 187 L CB -1.102 40.922 42.059 -0.059 0.000 0.892 187 L HN 0.424 nan 8.230 nan 0.000 0.436 188 D N -0.031 120.182 120.400 -0.312 0.000 2.108 188 D HA -0.175 4.481 4.640 0.027 0.000 0.190 188 D C 2.039 178.216 176.300 -0.206 0.000 0.995 188 D CA 1.725 55.532 54.000 -0.322 0.000 0.834 188 D CB -0.278 40.152 40.800 -0.617 0.000 0.967 188 D HN 0.265 nan 8.370 nan 0.000 0.446 189 G N -0.762 107.912 108.800 -0.211 0.000 2.498 189 G HA2 -0.071 3.905 3.960 0.027 0.000 0.219 189 G HA3 -0.071 3.905 3.960 0.027 0.000 0.219 189 G C 1.329 176.168 174.900 -0.102 0.000 1.119 189 G CA 0.929 45.947 45.100 -0.136 0.000 0.766 189 G HN 0.429 nan 8.290 nan 0.000 0.552 190 A N -0.552 122.205 122.820 -0.104 0.000 2.252 190 A HA 0.413 4.749 4.320 0.027 0.000 0.213 190 A C 0.836 178.384 177.584 -0.061 0.000 1.188 190 A CA 0.859 52.849 52.037 -0.077 0.000 0.863 190 A CB 0.207 19.160 19.000 -0.077 0.000 0.893 190 A HN 0.246 nan 8.150 nan 0.000 0.495 191 D N -1.328 119.031 120.400 -0.069 0.000 2.775 191 D HA -0.107 4.549 4.640 0.027 0.000 0.235 191 D C -0.771 175.508 176.300 -0.034 0.000 1.120 191 D CA 0.882 54.852 54.000 -0.051 0.000 0.708 191 D CB -1.146 39.631 40.800 -0.038 0.000 1.084 191 D HN 0.218 nan 8.370 nan 0.000 0.434 192 V N 0.378 120.271 119.914 -0.034 0.000 2.789 192 V HA 0.629 4.765 4.120 0.027 0.000 0.311 192 V C 0.628 176.722 176.094 0.001 0.000 1.073 192 V CA -0.414 61.880 62.300 -0.011 0.000 0.921 192 V CB 2.014 33.833 31.823 -0.006 0.000 1.009 192 V HN 0.288 nan 8.190 nan 0.000 0.426 193 S N 3.476 119.185 115.700 0.014 0.000 2.614 193 S HA 0.333 4.820 4.470 0.027 0.000 0.265 193 S C 0.988 175.617 174.600 0.049 0.000 1.303 193 S CA -0.136 58.077 58.200 0.022 0.000 1.000 193 S CB 1.050 64.261 63.200 0.018 0.000 0.935 193 S HN 0.753 nan 8.310 nan 0.000 0.551 194 L N 2.484 123.735 121.223 0.046 0.000 2.042 194 L HA 0.142 4.499 4.340 0.027 0.000 0.210 194 L C 2.380 179.297 176.870 0.078 0.000 1.076 194 L CA 2.390 57.270 54.840 0.065 0.000 0.749 194 L CB -1.260 40.792 42.059 -0.011 0.000 0.893 194 L HN 0.961 nan 8.230 nan 0.000 0.432 195 G N -1.468 107.357 108.800 0.042 0.000 2.432 195 G HA2 -0.222 3.754 3.960 0.027 0.000 0.219 195 G HA3 -0.222 3.754 3.960 0.027 0.000 0.219 195 G C 1.433 176.371 174.900 0.064 0.000 1.135 195 G CA 0.747 45.870 45.100 0.039 0.000 0.767 195 G HN 0.511 nan 8.290 nan 0.000 0.550 196 E N -0.209 120.030 120.200 0.064 0.000 2.047 196 E HA -0.072 4.294 4.350 0.027 0.000 0.191 196 E C 2.727 179.386 176.600 0.098 0.000 0.987 196 E CA 0.934 57.373 56.400 0.066 0.000 0.799 196 E CB -0.049 29.678 29.700 0.046 0.000 0.752 196 E HN 0.289 nan 8.360 nan 0.000 0.449 197 V N 1.036 121.024 119.914 0.123 0.000 2.594 197 V HA -0.238 3.899 4.120 0.027 0.000 0.253 197 V C 2.188 178.409 176.094 0.212 0.000 1.069 197 V CA 1.253 63.639 62.300 0.143 0.000 1.082 197 V CB -0.322 31.601 31.823 0.167 0.000 0.680 197 V HN 0.295 nan 8.190 nan 0.000 0.469 198 M N 1.267 121.021 119.600 0.256 0.000 2.530 198 M HA -0.097 4.399 4.480 0.027 0.000 0.261 198 M C 1.601 178.125 176.300 0.373 0.000 1.067 198 M CA 1.526 57.018 55.300 0.321 0.000 1.071 198 M CB -0.500 32.240 32.600 0.234 0.000 1.405 198 M HN 0.509 nan 8.290 nan 0.000 0.478 199 S N -2.694 113.170 115.700 0.273 0.000 2.855 199 S HA 0.254 4.740 4.470 0.027 0.000 0.249 199 S C 1.074 175.793 174.600 0.197 0.000 1.033 199 S CA -0.488 57.897 58.200 0.308 0.000 1.038 199 S CB -0.479 62.869 63.200 0.246 0.000 0.960 199 S HN 0.413 nan 8.310 nan 0.000 0.548 200 M N 1.597 121.285 119.600 0.148 0.000 2.619 200 M HA 0.172 4.669 4.480 0.027 0.000 0.251 200 M C 1.425 177.771 176.300 0.077 0.000 1.106 200 M CA 0.405 55.760 55.300 0.091 0.000 1.086 200 M CB -0.287 32.348 32.600 0.058 0.000 1.465 200 M HN 0.570 nan 8.290 nan 0.000 0.506 201 G N -0.528 108.329 108.800 0.094 0.000 2.574 201 G HA2 0.469 4.445 3.960 0.027 0.000 0.248 201 G HA3 0.469 4.445 3.960 0.027 0.000 0.248 201 G C 0.447 175.381 174.900 0.056 0.000 1.422 201 G CA -0.058 45.083 45.100 0.068 0.000 1.051 201 G HN 0.412 nan 8.290 nan 0.000 0.560 202 G N -1.180 107.642 108.800 0.036 0.000 2.333 202 G HA2 -0.200 3.776 3.960 0.027 0.000 0.296 202 G HA3 -0.200 3.776 3.960 0.027 0.000 0.296 202 G C 0.264 175.154 174.900 -0.016 0.000 1.059 202 G CA 0.666 45.764 45.100 -0.003 0.000 1.050 202 G HN 0.614 nan 8.290 nan 0.000 0.508 203 E N -0.311 119.880 120.200 -0.016 0.000 2.585 203 E HA 0.197 4.564 4.350 0.027 0.000 0.206 203 E C 0.799 177.382 176.600 -0.028 0.000 1.007 203 E CA -0.119 56.273 56.400 -0.013 0.000 1.028 203 E CB 0.174 29.875 29.700 0.001 0.000 1.087 203 E HN 0.554 nan 8.360 nan 0.000 0.455 204 N N 1.074 119.739 118.700 -0.057 0.000 2.609 204 N HA 0.081 4.837 4.740 0.027 0.000 0.251 204 N C -2.727 172.717 175.510 -0.110 0.000 1.526 204 N CA -0.916 52.096 53.050 -0.063 0.000 0.931 204 N CB 0.590 39.049 38.487 -0.046 0.000 1.460 204 N HN -0.029 nan 8.380 nan 0.000 0.526 205 P HA 0.264 nan 4.420 nan 0.000 0.271 205 P C 0.646 177.860 177.300 -0.145 0.000 1.233 205 P CA 0.757 63.738 63.100 -0.198 0.000 0.789 205 P CB 1.410 33.024 31.700 -0.142 0.000 0.951 206 G N -0.477 108.228 108.800 -0.160 0.000 3.819 206 G HA2 -0.110 3.867 3.960 0.027 0.000 0.210 206 G HA3 -0.110 3.867 3.960 0.027 0.000 0.210 206 G C -0.018 174.848 174.900 -0.057 0.000 1.018 206 G CA -0.168 44.882 45.100 -0.083 0.000 0.882 206 G HN 0.556 nan 8.290 nan 0.000 0.377 207 M N 3.476 123.018 119.600 -0.096 0.000 2.217 207 M HA 0.427 4.923 4.480 0.027 0.000 0.352 207 M C -2.123 174.260 176.300 0.139 0.000 1.376 207 M CA -1.438 53.871 55.300 0.015 0.000 1.107 207 M CB 0.868 33.493 32.600 0.042 0.000 1.723 207 M HN 0.026 nan 8.290 nan 0.000 0.461 208 P HA -0.018 nan 4.420 nan 0.000 0.268 208 P C -0.162 177.369 177.300 0.385 0.000 1.205 208 P CA 0.020 63.265 63.100 0.241 0.000 0.771 208 P CB 0.274 32.063 31.700 0.149 0.000 0.858 209 F N 2.401 122.514 119.950 0.271 0.000 2.269 209 F HA -0.202 4.333 4.527 0.012 0.000 0.301 209 F C 2.239 178.053 175.800 0.024 0.000 1.082 209 F CA 2.011 60.079 58.000 0.114 0.000 1.360 209 F CB -0.307 38.729 39.000 0.060 0.000 1.041 209 F HN 0.325 nan 8.300 nan 0.000 0.512 210 S N -1.692 114.072 115.700 0.106 0.000 2.383 210 S HA -0.172 4.314 4.470 0.027 0.000 0.227 210 S C 1.923 176.490 174.600 -0.054 0.000 1.026 210 S CA 1.696 59.906 58.200 0.018 0.000 0.981 210 S CB -1.032 62.218 63.200 0.084 0.000 0.818 210 S HN 0.345 nan 8.310 nan 0.000 0.472 211 T N 1.650 116.196 114.554 -0.014 0.000 3.055 211 T HA 0.370 4.737 4.350 0.027 0.000 0.265 211 T C 1.970 176.616 174.700 -0.091 0.000 1.111 211 T CA 0.787 62.873 62.100 -0.024 0.000 1.118 211 T CB -0.397 68.485 68.868 0.024 0.000 0.909 211 T HN 0.609 nan 8.240 nan 0.000 0.501 212 A N 1.575 124.289 122.820 -0.177 0.000 1.854 212 A HA 0.082 4.419 4.320 0.027 0.000 0.214 212 A C 2.171 179.585 177.584 -0.282 0.000 1.192 212 A CA 0.806 52.663 52.037 -0.300 0.000 0.611 212 A CB -0.604 18.027 19.000 -0.615 0.000 0.832 212 A HN 0.479 nan 8.150 nan 0.000 0.442 213 I N -1.064 119.309 120.570 -0.328 0.000 2.194 213 I HA -0.300 3.886 4.170 0.027 0.000 0.246 213 I C 2.597 178.706 176.117 -0.013 0.000 1.093 213 I CA 2.064 63.291 61.300 -0.121 0.000 1.355 213 I CB -0.381 37.525 38.000 -0.157 0.000 1.046 213 I HN 0.364 nan 8.210 nan 0.000 0.413 214 M N 0.633 120.199 119.600 -0.057 0.000 2.446 214 M HA -0.109 4.387 4.480 0.027 0.000 0.263 214 M C 1.802 178.051 176.300 -0.086 0.000 1.066 214 M CA 1.684 56.969 55.300 -0.025 0.000 1.087 214 M CB -0.427 32.166 32.600 -0.013 0.000 1.406 214 M HN 0.123 nan 8.290 nan 0.000 0.459 215 I N -1.606 118.847 120.570 -0.195 0.000 2.584 215 I HA -0.158 4.028 4.170 0.027 0.000 0.255 215 I C 1.386 177.278 176.117 -0.376 0.000 1.145 215 I CA 0.750 61.852 61.300 -0.329 0.000 1.462 215 I CB -0.196 37.525 38.000 -0.465 0.000 1.102 215 I HN 0.148 nan 8.210 nan 0.000 0.433 216 F N -0.487 119.420 119.950 -0.071 0.000 2.234 216 F HA -0.111 4.429 4.527 0.022 0.000 0.296 216 F C 2.368 178.216 175.800 0.079 0.000 1.089 216 F CA 0.728 58.713 58.000 -0.025 0.000 1.343 216 F CB -0.536 38.467 39.000 0.005 0.000 1.040 216 F HN -0.225 nan 8.300 nan 0.000 0.498 217 V N -0.030 120.035 119.914 0.251 0.000 2.427 217 V HA -0.203 3.933 4.120 0.027 0.000 0.248 217 V C 2.541 178.690 176.094 0.093 0.000 1.051 217 V CA 1.901 64.356 62.300 0.257 0.000 1.048 217 V CB -1.389 30.527 31.823 0.155 0.000 0.666 217 V HN 0.469 nan 8.190 nan 0.000 0.456 218 G N -0.261 108.506 108.800 -0.056 0.000 2.708 218 G HA2 -0.020 3.956 3.960 0.027 0.000 0.210 218 G HA3 -0.020 3.956 3.960 0.027 0.000 0.210 218 G C 1.364 176.144 174.900 -0.200 0.000 1.141 218 G CA 0.745 45.733 45.100 -0.186 0.000 0.788 218 G HN 0.595 nan 8.290 nan 0.000 0.531 219 G N -0.478 108.211 108.800 -0.185 0.000 2.662 219 G HA2 0.042 4.018 3.960 0.027 0.000 0.212 219 G HA3 0.042 4.018 3.960 0.027 0.000 0.212 219 G C 1.263 175.918 174.900 -0.407 0.000 1.141 219 G CA -0.107 44.776 45.100 -0.361 0.000 0.797 219 G HN 0.489 nan 8.290 nan 0.000 0.531 220 W N 0.500 121.726 121.300 -0.125 0.000 2.737 220 W HA 0.346 5.022 4.660 0.027 0.000 0.262 220 W C 2.063 178.518 176.519 -0.107 0.000 1.282 220 W CA -0.761 56.535 57.345 -0.082 0.000 1.386 220 W CB -0.106 29.372 29.460 0.029 0.000 1.099 220 W HN 0.035 nan 8.180 nan 0.000 0.621 221 I N 1.212 121.773 120.570 -0.015 0.000 2.151 221 I HA -0.485 3.701 4.170 0.027 0.000 0.236 221 I C 2.614 178.719 176.117 -0.020 0.000 1.000 221 I CA 2.168 63.366 61.300 -0.169 0.000 1.285 221 I CB -1.019 36.703 38.000 -0.463 0.000 0.994 221 I HN 0.042 nan 8.210 nan 0.000 0.396 222 A N -0.325 122.475 122.820 -0.035 0.000 1.978 222 A HA -0.159 4.177 4.320 0.027 0.000 0.220 222 A C 2.386 179.968 177.584 -0.004 0.000 1.170 222 A CA 1.962 53.993 52.037 -0.010 0.000 0.636 222 A CB -0.874 18.128 19.000 0.002 0.000 0.810 222 A HN 0.333 nan 8.150 nan 0.000 0.448 223 V N -0.975 118.963 119.914 0.040 0.000 2.488 223 V HA -0.155 3.982 4.120 0.027 0.000 0.246 223 V C 2.522 178.711 176.094 0.157 0.000 1.046 223 V CA 1.694 64.040 62.300 0.077 0.000 1.053 223 V CB -0.182 31.696 31.823 0.091 0.000 0.679 223 V HN 0.367 nan 8.190 nan 0.000 0.458 224 V N -0.592 119.451 119.914 0.216 0.000 2.427 224 V HA -0.156 3.980 4.120 0.027 0.000 0.248 224 V C 2.295 178.520 176.094 0.218 0.000 1.051 224 V CA 1.611 64.058 62.300 0.245 0.000 1.048 224 V CB 0.091 32.069 31.823 0.258 0.000 0.666 224 V HN 0.407 nan 8.190 nan 0.000 0.456 225 V N 0.643 120.665 119.914 0.180 0.000 3.141 225 V HA -0.031 4.105 4.120 0.027 0.000 0.265 225 V C 1.432 177.582 176.094 0.093 0.000 1.126 225 V CA 1.621 64.040 62.300 0.198 0.000 1.141 225 V CB 0.038 31.983 31.823 0.204 0.000 0.743 225 V HN 0.746 nan 8.190 nan 0.000 0.492 226 S N -1.700 113.984 115.700 -0.028 0.000 3.025 226 S HA 0.150 4.636 4.470 0.027 0.000 0.251 226 S C 0.959 175.637 174.600 0.130 0.000 0.954 226 S CA -0.328 57.785 58.200 -0.144 0.000 1.092 226 S CB -0.178 62.447 63.200 -0.959 0.000 1.079 226 S HN 0.255 nan 8.310 nan 0.000 0.543 227 I N 0.486 121.174 120.570 0.197 0.000 2.315 227 I HA -0.119 4.067 4.170 0.027 0.000 0.251 227 I C 2.108 178.322 176.117 0.162 0.000 1.125 227 I CA 1.438 62.837 61.300 0.166 0.000 1.392 227 I CB -1.965 36.133 38.000 0.163 0.000 1.065 227 I HN 0.328 nan 8.210 nan 0.000 0.424 228 H N 1.620 120.737 119.070 0.078 0.000 2.355 228 H HA -0.256 4.316 4.556 0.027 0.000 0.282 228 H C 1.686 177.017 175.328 0.005 0.000 1.131 228 H CA 2.295 58.369 56.048 0.044 0.000 1.158 228 H CB -1.054 28.765 29.762 0.094 0.000 1.351 228 H HN 0.446 nan 8.280 nan 0.000 0.469 229 D N -0.474 120.036 120.400 0.184 0.000 2.350 229 D HA -0.049 4.608 4.640 0.027 0.000 0.216 229 D C 1.896 178.264 176.300 0.114 0.000 0.968 229 D CA 0.818 54.878 54.000 0.100 0.000 0.894 229 D CB 0.046 40.976 40.800 0.216 0.000 0.909 229 D HN 0.509 nan 8.370 nan 0.000 0.520 230 I N -0.765 119.865 120.570 0.100 0.000 3.300 230 I HA -0.046 4.141 4.170 0.027 0.000 0.279 230 I C 1.931 178.066 176.117 0.030 0.000 1.172 230 I CA 0.234 61.583 61.300 0.082 0.000 1.431 230 I CB 0.430 38.490 38.000 0.100 0.000 1.240 230 I HN -0.195 nan 8.210 nan 0.000 0.453 231 V N 2.244 122.158 119.914 -0.000 0.000 3.506 231 V HA -0.083 4.053 4.120 0.027 0.000 0.263 231 V C 2.162 178.182 176.094 -0.123 0.000 1.203 231 V CA 0.776 63.023 62.300 -0.088 0.000 1.133 231 V CB -0.361 31.394 31.823 -0.114 0.000 0.802 231 V HN 0.422 nan 8.190 nan 0.000 0.459 232 K N 0.012 120.370 120.400 -0.070 0.000 2.585 232 K HA -0.153 4.183 4.320 0.027 0.000 0.194 232 K C 1.311 177.881 176.600 -0.050 0.000 1.037 232 K CA 1.545 57.796 56.287 -0.060 0.000 0.964 232 K CB 0.029 32.501 32.500 -0.047 0.000 0.787 232 K HN 0.315 nan 8.250 nan 0.000 0.488 233 E N 0.242 120.413 120.200 -0.049 0.000 2.498 233 E HA 0.153 4.520 4.350 0.027 0.000 0.203 233 E C -0.545 176.035 176.600 -0.033 0.000 1.013 233 E CA -0.221 56.165 56.400 -0.024 0.000 0.927 233 E CB 0.412 30.111 29.700 -0.001 0.000 1.012 233 E HN 0.301 nan 8.360 nan 0.000 0.482 234 C N 1.470 120.708 119.300 -0.105 0.000 2.595 234 C HA 0.254 4.730 4.460 0.027 0.000 0.384 234 C C 0.482 175.456 174.990 -0.026 0.000 1.289 234 C CA -0.514 58.419 59.018 -0.141 0.000 2.372 234 C CB 0.253 27.659 27.740 -0.557 0.000 2.593 234 C HN 0.223 nan 8.230 nan 0.000 0.639 235 K N 1.095 121.564 120.400 0.115 0.000 2.322 235 K HA 0.493 4.830 4.320 0.027 0.000 0.283 235 K C -0.589 176.101 176.600 0.151 0.000 1.042 235 K CA 0.010 56.382 56.287 0.142 0.000 0.958 235 K CB 0.946 33.539 32.500 0.155 0.000 0.984 235 K HN 0.440 nan 8.250 nan 0.000 0.473 236 V N 2.517 122.486 119.914 0.091 0.000 2.876 236 V HA 0.171 4.307 4.120 0.027 0.000 0.312 236 V C -1.533 174.528 176.094 -0.054 0.000 1.085 236 V CA -0.795 61.529 62.300 0.040 0.000 0.945 236 V CB 2.223 34.063 31.823 0.029 0.000 1.017 236 V HN 0.816 nan 8.190 nan 0.000 0.428 237 D N 6.753 127.100 120.400 -0.089 0.000 2.396 237 D HA 0.471 5.128 4.640 0.027 0.000 0.225 237 D C -1.250 174.911 176.300 -0.232 0.000 1.121 237 D CA -1.913 51.991 54.000 -0.160 0.000 0.853 237 D CB 1.934 42.676 40.800 -0.096 0.000 1.043 237 D HN 0.327 nan 8.370 nan 0.000 0.500 238 P HA -0.126 nan 4.420 nan 0.000 0.219 238 P C 0.059 177.233 177.300 -0.210 0.000 1.146 238 P CA 0.707 63.536 63.100 -0.452 0.000 0.808 238 P CB 0.304 31.500 31.700 -0.840 0.000 0.779 239 N N -0.263 118.337 118.700 -0.167 0.000 2.451 239 N HA 0.239 4.995 4.740 0.027 0.000 0.264 239 N C 0.746 176.215 175.510 -0.067 0.000 1.167 239 N CA -0.045 52.950 53.050 -0.090 0.000 0.898 239 N CB 0.399 38.842 38.487 -0.074 0.000 1.176 239 N HN 0.141 nan 8.380 nan 0.000 0.507 240 A N 0.533 123.310 122.820 -0.072 0.000 2.495 240 A HA 0.644 4.981 4.320 0.027 0.000 0.260 240 A C 0.718 178.285 177.584 -0.029 0.000 1.608 240 A CA -0.018 51.990 52.037 -0.048 0.000 0.834 240 A CB 0.162 19.132 19.000 -0.049 0.000 1.526 240 A HN 0.277 nan 8.150 nan 0.000 0.578 241 S N -2.691 113.000 115.700 -0.016 0.000 2.794 241 S HA 0.493 4.980 4.470 0.027 0.000 0.299 241 S C 0.724 175.330 174.600 0.011 0.000 1.179 241 S CA -0.912 57.288 58.200 -0.000 0.000 0.838 241 S CB 0.908 64.109 63.200 0.002 0.000 1.206 241 S HN 0.520 nan 8.310 nan 0.000 0.523 242 R N 1.621 122.136 120.500 0.024 0.000 2.117 242 R HA -0.113 4.243 4.340 0.027 0.000 0.243 242 R C 1.652 177.976 176.300 0.040 0.000 1.143 242 R CA 1.919 58.043 56.100 0.041 0.000 0.968 242 R CB -0.667 29.661 30.300 0.047 0.000 0.863 242 R HN 0.822 nan 8.270 nan 0.000 0.444 243 E N -0.898 119.319 120.200 0.027 0.000 2.276 243 E HA 0.020 4.386 4.350 0.027 0.000 0.193 243 E C 1.950 178.560 176.600 0.017 0.000 0.983 243 E CA 0.913 57.329 56.400 0.026 0.000 0.861 243 E CB -0.229 29.482 29.700 0.018 0.000 0.817 243 E HN 0.350 nan 8.360 nan 0.000 0.485 244 G N 1.331 110.135 108.800 0.007 0.000 2.494 244 G HA2 -0.206 3.770 3.960 0.027 0.000 0.216 244 G HA3 -0.206 3.770 3.960 0.027 0.000 0.216 244 G C 1.573 176.472 174.900 -0.002 0.000 1.140 244 G CA 0.091 45.189 45.100 -0.003 0.000 0.801 244 G HN 0.142 nan 8.290 nan 0.000 0.536 245 Q N -0.151 119.649 119.800 0.000 0.000 2.167 245 Q HA -0.051 4.306 4.340 0.027 0.000 0.202 245 Q C 2.708 178.716 176.000 0.013 0.000 0.970 245 Q CA 1.546 57.347 55.803 -0.002 0.000 0.855 245 Q CB -0.028 28.708 28.738 -0.003 0.000 0.911 245 Q HN 0.393 nan 8.270 nan 0.000 0.438 246 T N 0.668 115.244 114.554 0.037 0.000 2.812 246 T HA -0.066 4.300 4.350 0.027 0.000 0.264 246 T C 1.509 176.261 174.700 0.087 0.000 1.042 246 T CA 0.757 62.899 62.100 0.070 0.000 1.140 246 T CB 0.076 69.008 68.868 0.106 0.000 0.870 246 T HN 0.100 nan 8.240 nan 0.000 0.445 247 K N 1.756 122.185 120.400 0.048 0.000 2.148 247 K HA 0.147 4.484 4.320 0.027 0.000 0.204 247 K C 2.480 179.090 176.600 0.017 0.000 1.050 247 K CA 1.036 57.340 56.287 0.028 0.000 0.942 247 K CB -0.737 31.761 32.500 -0.003 0.000 0.724 247 K HN 0.365 nan 8.250 nan 0.000 0.446 248 A N 2.214 125.044 122.820 0.018 0.000 1.858 248 A HA -0.195 4.141 4.320 0.027 0.000 0.216 248 A C 1.817 179.466 177.584 0.107 0.000 1.190 248 A CA 1.873 53.933 52.037 0.037 0.000 0.617 248 A CB -0.507 18.526 19.000 0.055 0.000 0.827 248 A HN 0.183 nan 8.150 nan 0.000 0.443 249 D N 0.095 120.525 120.400 0.050 0.000 2.133 249 D HA -0.133 4.524 4.640 0.027 0.000 0.195 249 D C 2.177 178.556 176.300 0.132 0.000 0.997 249 D CA 1.759 55.740 54.000 -0.031 0.000 0.840 249 D CB -0.414 40.147 40.800 -0.399 0.000 0.947 249 D HN 0.439 nan 8.370 nan 0.000 0.452 250 A N 0.360 123.323 122.820 0.238 0.000 1.929 250 A HA -0.123 4.214 4.320 0.027 0.000 0.216 250 A C 2.191 179.801 177.584 0.043 0.000 1.176 250 A CA 1.385 53.554 52.037 0.220 0.000 0.628 250 A CB -0.390 18.683 19.000 0.123 0.000 0.816 250 A HN 0.105 nan 8.150 nan 0.000 0.444 251 R N -1.845 118.641 120.500 -0.025 0.000 2.092 251 R HA -0.127 4.229 4.340 0.027 0.000 0.231 251 R C 1.827 178.016 176.300 -0.186 0.000 1.119 251 R CA 1.645 57.662 56.100 -0.138 0.000 0.970 251 R CB -0.399 29.766 30.300 -0.225 0.000 0.864 251 R HN 0.651 nan 8.270 nan 0.000 0.440 252 Y N -0.326 119.952 120.300 -0.036 0.000 2.133 252 Y HA -0.142 4.423 4.550 0.026 0.000 0.287 252 Y C 2.448 178.286 175.900 -0.104 0.000 1.134 252 Y CA 1.126 59.186 58.100 -0.066 0.000 1.133 252 Y CB -0.251 38.167 38.460 -0.071 0.000 0.987 252 Y HN 0.215 nan 8.280 nan 0.000 0.502 253 A N -0.432 122.439 122.820 0.084 0.000 1.948 253 A HA -0.235 4.101 4.320 0.027 0.000 0.220 253 A C 2.208 179.761 177.584 -0.052 0.000 1.177 253 A CA 2.401 54.433 52.037 -0.008 0.000 0.636 253 A CB -1.262 17.790 19.000 0.086 0.000 0.815 253 A HN 0.433 nan 8.150 nan 0.000 0.449 254 T N 0.000 114.528 114.554 -0.043 0.000 2.821 254 T HA 0.039 4.406 4.350 0.027 0.000 0.267 254 T C 2.154 176.862 174.700 0.015 0.000 1.046 254 T CA 1.379 63.455 62.100 -0.041 0.000 1.139 254 T CB -0.346 68.474 68.868 -0.080 0.000 0.871 254 T HN 0.606 nan 8.240 nan 0.000 0.454 255 A N 1.184 123.985 122.820 -0.032 0.000 1.969 255 A HA -0.098 4.238 4.320 0.027 0.000 0.218 255 A C 2.213 179.746 177.584 -0.084 0.000 1.169 255 A CA 1.186 53.204 52.037 -0.032 0.000 0.635 255 A CB -0.458 18.519 19.000 -0.038 0.000 0.810 255 A HN 0.533 nan 8.150 nan 0.000 0.445 256 Q N -2.355 117.311 119.800 -0.223 0.000 2.187 256 Q HA -0.149 4.207 4.340 0.027 0.000 0.199 256 Q C 1.816 177.613 176.000 -0.339 0.000 0.957 256 Q CA 1.195 56.663 55.803 -0.558 0.000 0.857 256 Q CB -0.189 27.876 28.738 -1.122 0.000 0.929 256 Q HN 0.881 nan 8.270 nan 0.000 0.453 257 W N 0.878 121.985 121.300 -0.323 0.000 2.379 257 W HA -0.103 4.571 4.660 0.023 0.000 0.307 257 W C 1.259 177.717 176.519 -0.103 0.000 1.200 257 W CA 1.056 58.271 57.345 -0.218 0.000 1.297 257 W CB 0.059 29.411 29.460 -0.179 0.000 1.140 257 W HN 0.021 nan 8.180 nan 0.000 0.507 258 L N 0.379 121.719 121.223 0.196 0.000 2.465 258 L HA 0.086 4.442 4.340 0.027 0.000 0.224 258 L C 2.473 179.359 176.870 0.027 0.000 1.145 258 L CA 1.147 56.055 54.840 0.113 0.000 0.834 258 L CB -0.942 41.231 42.059 0.190 0.000 0.944 258 L HN 0.180 nan 8.230 nan 0.000 0.451 259 G N 0.276 109.091 108.800 0.025 0.000 2.441 259 G HA2 -0.120 3.856 3.960 0.027 0.000 0.212 259 G HA3 -0.120 3.856 3.960 0.027 0.000 0.212 259 G C 1.565 176.554 174.900 0.148 0.000 1.164 259 G CA 0.551 45.737 45.100 0.143 0.000 0.811 259 G HN 0.412 nan 8.290 nan 0.000 0.535 260 M N -0.240 119.371 119.600 0.019 0.000 2.486 260 M HA 0.311 4.808 4.480 0.027 0.000 0.264 260 M C 2.066 178.288 176.300 -0.131 0.000 1.125 260 M CA 0.600 55.921 55.300 0.036 0.000 1.144 260 M CB -0.105 32.561 32.600 0.110 0.000 1.353 260 M HN -0.073 nan 8.290 nan 0.000 0.466 261 V N 2.395 122.083 119.914 -0.376 0.000 2.221 261 V HA -0.096 4.040 4.120 0.027 0.000 0.240 261 V C -0.278 175.686 176.094 -0.217 0.000 1.041 261 V CA 2.082 64.111 62.300 -0.452 0.000 0.991 261 V CB -2.087 29.136 31.823 -1.000 0.000 0.634 261 V HN 0.299 nan 8.190 nan 0.000 0.450 262 P HA -0.180 nan 4.420 nan 0.000 0.218 262 P C 1.484 178.840 177.300 0.094 0.000 1.148 262 P CA 2.246 65.358 63.100 0.020 0.000 0.822 262 P CB -0.081 31.682 31.700 0.105 0.000 0.784 263 A N 0.970 123.774 122.820 -0.027 0.000 1.873 263 A HA -0.134 4.202 4.320 0.027 0.000 0.215 263 A C 2.469 180.018 177.584 -0.057 0.000 1.186 263 A CA 2.375 54.216 52.037 -0.326 0.000 0.616 263 A CB -1.417 16.923 19.000 -1.099 0.000 0.823 263 A HN 0.383 nan 8.150 nan 0.000 0.442 264 S N -0.831 114.836 115.700 -0.055 0.000 2.496 264 S HA 0.107 4.593 4.470 0.027 0.000 0.224 264 S C 1.797 176.427 174.600 0.050 0.000 0.996 264 S CA 0.721 58.926 58.200 0.008 0.000 0.927 264 S CB -0.483 62.738 63.200 0.035 0.000 0.774 264 S HN 0.441 nan 8.310 nan 0.000 0.524 265 I N 1.248 121.838 120.570 0.033 0.000 2.233 265 I HA -0.078 4.109 4.170 0.027 0.000 0.243 265 I C 2.290 178.487 176.117 0.134 0.000 1.093 265 I CA 1.176 62.505 61.300 0.047 0.000 1.380 265 I CB -0.275 37.727 38.000 0.002 0.000 1.067 265 I HN 0.305 nan 8.210 nan 0.000 0.413 266 I N 0.123 120.788 120.570 0.157 0.000 2.208 266 I HA -0.313 3.873 4.170 0.027 0.000 0.245 266 I C 2.183 178.374 176.117 0.123 0.000 1.097 266 I CA 1.766 63.142 61.300 0.127 0.000 1.363 266 I CB -0.340 37.726 38.000 0.110 0.000 1.051 266 I HN 0.098 nan 8.210 nan 0.000 0.413 267 F N 0.516 120.568 119.950 0.170 0.000 2.416 267 F HA 0.105 4.648 4.527 0.026 0.000 0.296 267 F C 2.463 178.456 175.800 0.320 0.000 1.099 267 F CA 0.826 58.991 58.000 0.275 0.000 1.427 267 F CB -1.139 37.928 39.000 0.112 0.000 1.079 267 F HN -0.041 nan 8.300 nan 0.000 0.536 268 G N -0.065 108.927 108.800 0.321 0.000 2.433 268 G HA2 -0.328 3.648 3.960 0.027 0.000 0.216 268 G HA3 -0.328 3.648 3.960 0.027 0.000 0.216 268 G C 1.687 176.733 174.900 0.243 0.000 1.186 268 G CA 0.739 45.980 45.100 0.236 0.000 0.779 268 G HN 0.345 nan 8.290 nan 0.000 0.543 269 F N 1.507 121.515 119.950 0.096 0.000 2.120 269 F HA -0.113 4.430 4.527 0.026 0.000 0.300 269 F C 2.451 178.278 175.800 0.044 0.000 1.095 269 F CA 1.399 59.436 58.000 0.062 0.000 1.249 269 F CB -0.097 38.922 39.000 0.031 0.000 0.995 269 F HN 0.109 nan 8.300 nan 0.000 0.480 270 I N 0.029 120.631 120.570 0.053 0.000 2.226 270 I HA -0.244 3.943 4.170 0.027 0.000 0.245 270 I C 2.742 178.730 176.117 -0.215 0.000 1.100 270 I CA 1.388 62.598 61.300 -0.149 0.000 1.374 270 I CB -1.421 36.512 38.000 -0.112 0.000 1.057 270 I HN 0.329 nan 8.210 nan 0.000 0.413 271 G N 0.583 109.401 108.800 0.030 0.000 2.418 271 G HA2 -0.221 3.755 3.960 0.027 0.000 0.217 271 G HA3 -0.221 3.755 3.960 0.027 0.000 0.217 271 G C 1.881 176.791 174.900 0.016 0.000 1.158 271 G CA 0.838 45.983 45.100 0.075 0.000 0.771 271 G HN 0.484 nan 8.290 nan 0.000 0.545 272 A N 1.276 124.086 122.820 -0.017 0.000 1.877 272 A HA 0.244 4.580 4.320 0.027 0.000 0.216 272 A C 2.852 180.331 177.584 -0.174 0.000 1.186 272 A CA 2.386 54.391 52.037 -0.054 0.000 0.620 272 A CB -0.943 18.039 19.000 -0.030 0.000 0.822 272 A HN 0.822 nan 8.150 nan 0.000 0.443 273 A N -0.511 122.072 122.820 -0.395 0.000 1.865 273 A HA -0.138 4.199 4.320 0.027 0.000 0.217 273 A C 2.451 179.887 177.584 -0.245 0.000 1.191 273 A CA 2.275 54.063 52.037 -0.416 0.000 0.623 273 A CB -1.148 17.440 19.000 -0.686 0.000 0.826 273 A HN 0.462 nan 8.150 nan 0.000 0.444 274 S N -0.792 114.766 115.700 -0.237 0.000 2.368 274 S HA -0.259 4.227 4.470 0.027 0.000 0.226 274 S C 2.068 176.598 174.600 -0.117 0.000 1.044 274 S CA 1.934 60.022 58.200 -0.187 0.000 1.062 274 S CB -0.388 62.688 63.200 -0.208 0.000 0.931 274 S HN 0.477 nan 8.310 nan 0.000 0.440 275 M N 0.597 120.162 119.600 -0.058 0.000 2.082 275 M HA -0.057 4.439 4.480 0.027 0.000 0.258 275 M C 2.226 178.507 176.300 -0.032 0.000 1.069 275 M CA 1.421 56.714 55.300 -0.011 0.000 1.102 275 M CB -1.277 31.350 32.600 0.045 0.000 1.336 275 M HN 0.231 nan 8.290 nan 0.000 0.404 276 V N -0.386 119.500 119.914 -0.048 0.000 2.649 276 V HA -0.125 4.011 4.120 0.027 0.000 0.248 276 V C 2.232 178.298 176.094 -0.047 0.000 1.054 276 V CA 0.789 63.068 62.300 -0.035 0.000 1.073 276 V CB -0.016 31.790 31.823 -0.029 0.000 0.699 276 V HN 0.376 nan 8.190 nan 0.000 0.463 277 L N -1.229 119.949 121.223 -0.075 0.000 2.131 277 L HA 0.017 4.373 4.340 0.027 0.000 0.206 277 L C 1.833 178.661 176.870 -0.071 0.000 1.087 277 L CA 1.022 55.818 54.840 -0.074 0.000 0.767 277 L CB -0.043 41.957 42.059 -0.099 0.000 0.917 277 L HN 0.207 nan 8.230 nan 0.000 0.441 278 V N -1.976 117.890 119.914 -0.081 0.000 3.380 278 V HA 0.307 4.443 4.120 0.027 0.000 0.277 278 V C 1.094 177.142 176.094 -0.078 0.000 1.590 278 V CA 0.675 62.925 62.300 -0.084 0.000 1.019 278 V CB 1.074 32.831 31.823 -0.110 0.000 0.828 278 V HN 0.497 nan 8.190 nan 0.000 0.427 279 G N 0.788 109.547 108.800 -0.068 0.000 2.159 279 G HA2 -0.155 3.821 3.960 0.027 0.000 0.227 279 G HA3 -0.155 3.821 3.960 0.027 0.000 0.227 279 G C -0.104 174.755 174.900 -0.068 0.000 0.986 279 G CA 0.179 45.248 45.100 -0.052 0.000 0.651 279 G HN 0.405 nan 8.290 nan 0.000 0.523 280 E N -0.297 119.835 120.200 -0.113 0.000 2.248 280 E HA 0.360 4.727 4.350 0.027 0.000 0.267 280 E C 1.075 177.572 176.600 -0.171 0.000 0.877 280 E CA -0.591 55.686 56.400 -0.205 0.000 0.759 280 E CB 0.508 30.031 29.700 -0.295 0.000 1.182 280 E HN 0.448 nan 8.360 nan 0.000 0.418 281 W N 2.205 123.471 121.300 -0.057 0.000 2.584 281 W HA 0.079 4.756 4.660 0.029 0.000 0.264 281 W C 0.402 176.837 176.519 -0.141 0.000 1.264 281 W CA -0.169 57.138 57.345 -0.063 0.000 1.306 281 W CB -0.030 29.441 29.460 0.019 0.000 1.110 281 W HN 0.296 nan 8.180 nan 0.000 0.606 282 N N 3.988 122.403 118.700 -0.476 0.000 2.411 282 N HA 0.064 4.821 4.740 0.027 0.000 0.259 282 N C -1.252 174.016 175.510 -0.404 0.000 1.103 282 N CA -2.054 50.719 53.050 -0.462 0.000 0.954 282 N CB 1.287 39.214 38.487 -0.933 0.000 1.085 282 N HN -0.139 nan 8.380 nan 0.000 0.485 283 P HA -0.118 nan 4.420 nan 0.000 0.220 283 P C 1.420 178.417 177.300 -0.505 0.000 1.148 283 P CA 0.554 63.347 63.100 -0.511 0.000 0.803 283 P CB 0.533 31.831 31.700 -0.670 0.000 0.782 284 V N 0.981 120.623 119.914 -0.455 0.000 2.233 284 V HA -0.257 3.880 4.120 0.027 0.000 0.247 284 V C 2.736 178.657 176.094 -0.289 0.000 1.050 284 V CA 1.862 63.906 62.300 -0.427 0.000 1.010 284 V CB -1.057 30.636 31.823 -0.216 0.000 0.637 284 V HN -0.002 nan 8.190 nan 0.000 0.444 285 I N 0.328 120.743 120.570 -0.258 0.000 2.142 285 I HA -0.251 3.936 4.170 0.027 0.000 0.240 285 I C 2.699 178.694 176.117 -0.204 0.000 1.078 285 I CA 1.640 62.815 61.300 -0.209 0.000 1.343 285 I CB -0.764 37.090 38.000 -0.243 0.000 1.046 285 I HN 0.307 nan 8.210 nan 0.000 0.405 286 A N 1.043 123.713 122.820 -0.250 0.000 1.940 286 A HA -0.167 4.170 4.320 0.027 0.000 0.219 286 A C 2.299 179.764 177.584 -0.199 0.000 1.176 286 A CA 1.568 53.474 52.037 -0.219 0.000 0.631 286 A CB -0.785 18.070 19.000 -0.243 0.000 0.814 286 A HN 0.435 nan 8.150 nan 0.000 0.446 287 I N -1.046 119.379 120.570 -0.242 0.000 2.500 287 I HA -0.152 4.034 4.170 0.027 0.000 0.252 287 I C 2.485 178.548 176.117 -0.090 0.000 1.142 287 I CA 1.393 62.576 61.300 -0.195 0.000 1.451 287 I CB -0.776 37.054 38.000 -0.283 0.000 1.093 287 I HN 0.232 nan 8.210 nan 0.000 0.430 288 T N 0.489 115.002 114.554 -0.068 0.000 2.652 288 T HA -0.200 4.167 4.350 0.027 0.000 0.267 288 T C 1.849 176.529 174.700 -0.034 0.000 1.039 288 T CA 1.407 63.504 62.100 -0.006 0.000 1.153 288 T CB -0.176 68.687 68.868 -0.008 0.000 0.863 288 T HN 0.288 nan 8.240 nan 0.000 0.428 289 E N 0.548 120.710 120.200 -0.064 0.000 2.005 289 E HA -0.114 4.253 4.350 0.027 0.000 0.198 289 E C 2.450 179.014 176.600 -0.060 0.000 1.010 289 E CA 1.009 57.372 56.400 -0.062 0.000 0.825 289 E CB -0.734 28.921 29.700 -0.076 0.000 0.769 289 E HN 0.211 nan 8.360 nan 0.000 0.456 290 V N 0.872 120.739 119.914 -0.077 0.000 2.511 290 V HA -0.240 3.896 4.120 0.027 0.000 0.257 290 V C 2.286 178.341 176.094 -0.065 0.000 1.088 290 V CA 1.511 63.764 62.300 -0.078 0.000 1.098 290 V CB -0.247 31.515 31.823 -0.103 0.000 0.674 290 V HN 0.092 nan 8.190 nan 0.000 0.470 291 V N -1.110 118.773 119.914 -0.051 0.000 3.565 291 V HA 0.419 4.556 4.120 0.027 0.000 0.260 291 V C 1.302 177.385 176.094 -0.018 0.000 1.231 291 V CA 0.825 63.104 62.300 -0.034 0.000 1.100 291 V CB 0.165 31.979 31.823 -0.016 0.000 0.807 291 V HN 0.702 nan 8.190 nan 0.000 0.454 292 G N 0.728 109.516 108.800 -0.020 0.000 2.470 292 G HA2 0.275 4.251 3.960 0.027 0.000 0.286 292 G HA3 0.275 4.251 3.960 0.027 0.000 0.286 292 G C 0.503 175.399 174.900 -0.006 0.000 1.115 292 G CA 0.050 45.141 45.100 -0.016 0.000 1.122 292 G HN 1.635 nan 8.290 nan 0.000 0.522 293 G N -2.536 106.264 108.800 -0.001 0.000 2.733 293 G HA2 0.471 4.447 3.960 0.027 0.000 0.686 293 G HA3 0.471 4.447 3.960 0.027 0.000 0.686 293 G C 0.113 175.021 174.900 0.015 0.000 1.373 293 G CA 0.230 45.333 45.100 0.005 0.000 0.838 293 G HN 2.460 nan 8.290 nan 0.000 0.588 294 V N -2.176 117.744 119.914 0.010 0.000 3.087 294 V HA 0.938 5.075 4.120 0.027 0.000 0.306 294 V C 0.543 176.615 176.094 -0.036 0.000 1.187 294 V CA -0.094 62.202 62.300 -0.007 0.000 0.999 294 V CB 1.422 33.241 31.823 -0.007 0.000 1.049 294 V HN 2.360 nan 8.190 nan 0.000 0.431 295 S N 2.570 118.243 115.700 -0.046 0.000 2.573 295 S HA 0.335 4.822 4.470 0.027 0.000 0.277 295 S C 1.237 175.792 174.600 -0.075 0.000 1.346 295 S CA -0.458 57.712 58.200 -0.049 0.000 1.034 295 S CB 0.472 63.648 63.200 -0.039 0.000 0.879 295 S HN 0.727 nan 8.310 nan 0.000 0.528 296 I N 2.464 123.000 120.570 -0.056 0.000 2.151 296 I HA -0.126 4.060 4.170 0.027 0.000 0.243 296 I C -0.354 175.714 176.117 -0.082 0.000 1.080 296 I CA 1.328 62.591 61.300 -0.061 0.000 1.339 296 I CB -2.517 35.461 38.000 -0.037 0.000 1.039 296 I HN 0.548 nan 8.210 nan 0.000 0.409 297 P HA -0.238 nan 4.420 nan 0.000 0.211 297 P C 1.892 179.106 177.300 -0.144 0.000 1.181 297 P CA 1.733 64.785 63.100 -0.081 0.000 0.929 297 P CB -0.245 31.420 31.700 -0.058 0.000 0.789 298 M N -1.412 118.078 119.600 -0.184 0.000 2.530 298 M HA -0.111 4.386 4.480 0.027 0.000 0.261 298 M C 1.902 177.777 176.300 -0.708 0.000 1.067 298 M CA 1.326 56.421 55.300 -0.342 0.000 1.071 298 M CB -0.699 31.743 32.600 -0.263 0.000 1.405 298 M HN -0.053 nan 8.290 nan 0.000 0.478 299 A N 0.529 123.077 122.820 -0.453 0.000 1.844 299 A HA -0.065 4.271 4.320 0.027 0.000 0.212 299 A C 1.949 179.403 177.584 -0.218 0.000 1.221 299 A CA 0.624 52.426 52.037 -0.392 0.000 0.607 299 A CB -0.678 18.225 19.000 -0.162 0.000 0.878 299 A HN 0.376 nan 8.150 nan 0.000 0.451 300 I N 0.091 120.583 120.570 -0.130 0.000 2.147 300 I HA -0.365 3.822 4.170 0.027 0.000 0.245 300 I C 2.512 178.613 176.117 -0.028 0.000 1.059 300 I CA 1.474 62.735 61.300 -0.064 0.000 1.320 300 I CB -0.308 37.661 38.000 -0.051 0.000 1.021 300 I HN 0.367 nan 8.210 nan 0.000 0.415 301 L N 0.121 121.304 121.223 -0.067 0.000 1.976 301 L HA -0.332 4.025 4.340 0.027 0.000 0.223 301 L C 2.642 179.629 176.870 0.195 0.000 1.081 301 L CA 2.299 57.154 54.840 0.025 0.000 0.784 301 L CB -0.870 41.161 42.059 -0.045 0.000 0.896 301 L HN 0.253 nan 8.230 nan 0.000 0.438 302 F N -0.565 119.440 119.950 0.091 0.000 2.115 302 F HA -0.358 4.186 4.527 0.028 0.000 0.300 302 F C 2.766 178.657 175.800 0.151 0.000 1.092 302 F CA 1.074 59.130 58.000 0.094 0.000 1.245 302 F CB -0.263 38.749 39.000 0.021 0.000 0.995 302 F HN 0.249 nan 8.300 nan 0.000 0.481 303 Q N 0.207 120.154 119.800 0.245 0.000 2.123 303 Q HA -0.087 4.269 4.340 0.027 0.000 0.199 303 Q C 2.178 178.230 176.000 0.087 0.000 0.966 303 Q CA 0.822 56.693 55.803 0.113 0.000 0.845 303 Q CB -0.298 28.439 28.738 -0.003 0.000 0.907 303 Q HN 0.214 nan 8.270 nan 0.000 0.439 304 V N 0.510 120.494 119.914 0.117 0.000 2.407 304 V HA -0.241 3.895 4.120 0.027 0.000 0.248 304 V C 1.807 178.010 176.094 0.183 0.000 1.055 304 V CA 1.820 64.190 62.300 0.117 0.000 1.049 304 V CB -0.631 31.263 31.823 0.119 0.000 0.662 304 V HN 0.409 nan 8.190 nan 0.000 0.455 305 F N 0.896 120.928 119.950 0.138 0.000 2.026 305 F HA -0.217 4.325 4.527 0.027 0.000 0.296 305 F C 2.286 178.162 175.800 0.127 0.000 1.133 305 F CA 2.277 60.380 58.000 0.171 0.000 1.188 305 F CB -0.568 38.577 39.000 0.242 0.000 0.968 305 F HN -0.030 nan 8.300 nan 0.000 0.476 306 V N 0.932 120.984 119.914 0.229 0.000 2.317 306 V HA -0.334 3.803 4.120 0.027 0.000 0.251 306 V C 2.381 178.388 176.094 -0.145 0.000 1.065 306 V CA 2.062 64.374 62.300 0.021 0.000 1.049 306 V CB -1.043 30.843 31.823 0.105 0.000 0.651 306 V HN 0.532 nan 8.190 nan 0.000 0.450 307 L N -0.722 120.431 121.223 -0.116 0.000 2.027 307 L HA -0.107 4.249 4.340 0.027 0.000 0.206 307 L C 2.180 179.070 176.870 0.034 0.000 1.074 307 L CA 1.779 56.538 54.840 -0.135 0.000 0.745 307 L CB -0.579 41.390 42.059 -0.150 0.000 0.898 307 L HN 0.242 nan 8.230 nan 0.000 0.433 308 L N -0.190 121.062 121.223 0.047 0.000 2.131 308 L HA -0.100 4.257 4.340 0.027 0.000 0.210 308 L C 2.424 179.280 176.870 -0.023 0.000 1.092 308 L CA 1.919 56.822 54.840 0.104 0.000 0.759 308 L CB -0.948 41.148 42.059 0.062 0.000 0.903 308 L HN 0.349 nan 8.230 nan 0.000 0.435 309 A N -2.440 120.225 122.820 -0.257 0.000 2.067 309 A HA -0.080 4.256 4.320 0.027 0.000 0.217 309 A C 2.167 179.664 177.584 -0.146 0.000 1.156 309 A CA 1.676 53.518 52.037 -0.326 0.000 0.683 309 A CB -0.656 17.961 19.000 -0.639 0.000 0.808 309 A HN 0.457 nan 8.150 nan 0.000 0.455 310 T N -2.102 112.424 114.554 -0.046 0.000 2.937 310 T HA -0.097 4.269 4.350 0.027 0.000 0.260 310 T C 1.552 176.375 174.700 0.205 0.000 1.051 310 T CA 0.663 62.783 62.100 0.034 0.000 1.141 310 T CB -0.236 68.632 68.868 -0.000 0.000 0.879 310 T HN 0.653 nan 8.240 nan 0.000 0.459 311 W N 2.881 124.243 121.300 0.104 0.000 2.425 311 W HA 0.011 4.687 4.660 0.027 0.000 0.277 311 W C 2.130 178.706 176.519 0.095 0.000 1.231 311 W CA 0.839 58.279 57.345 0.158 0.000 1.248 311 W CB -0.666 28.919 29.460 0.208 0.000 1.117 311 W HN 0.307 nan 8.180 nan 0.000 0.568 312 S N -2.379 113.459 115.700 0.231 0.000 2.603 312 S HA 0.021 4.508 4.470 0.027 0.000 0.220 312 S C 1.333 175.936 174.600 0.005 0.000 0.967 312 S CA 1.048 59.280 58.200 0.054 0.000 0.920 312 S CB 0.150 63.335 63.200 -0.024 0.000 0.773 312 S HN 0.035 nan 8.310 nan 0.000 0.529 313 T N 1.501 116.076 114.554 0.035 0.000 3.174 313 T HA 0.172 4.539 4.350 0.027 0.000 0.252 313 T C 1.586 176.313 174.700 0.045 0.000 0.984 313 T CA 0.135 62.217 62.100 -0.031 0.000 1.113 313 T CB -0.465 68.335 68.868 -0.114 0.000 1.088 313 T HN 0.291 nan 8.240 nan 0.000 0.442 314 N N 2.083 120.851 118.700 0.113 0.000 2.005 314 N HA -0.080 4.677 4.740 0.027 0.000 0.199 314 N C -1.288 174.367 175.510 0.243 0.000 1.054 314 N CA 2.024 55.185 53.050 0.184 0.000 0.864 314 N CB -1.047 37.549 38.487 0.182 0.000 1.063 314 N HN 0.182 nan 8.380 nan 0.000 0.428 315 P HA -0.169 nan 4.420 nan 0.000 0.213 315 P C 0.968 178.372 177.300 0.173 0.000 1.176 315 P CA 2.556 65.800 63.100 0.241 0.000 0.919 315 P CB -0.334 31.555 31.700 0.314 0.000 0.791 316 A N -0.768 122.139 122.820 0.146 0.000 1.933 316 A HA -0.100 4.236 4.320 0.027 0.000 0.218 316 A C 2.258 179.877 177.584 0.059 0.000 1.175 316 A CA 2.240 54.333 52.037 0.092 0.000 0.628 316 A CB -1.535 17.482 19.000 0.029 0.000 0.814 316 A HN 0.233 nan 8.150 nan 0.000 0.444 317 A N -1.280 121.563 122.820 0.039 0.000 2.030 317 A HA 0.066 4.402 4.320 0.027 0.000 0.215 317 A C 1.713 179.340 177.584 0.072 0.000 1.164 317 A CA 1.217 53.261 52.037 0.013 0.000 0.697 317 A CB -0.078 18.888 19.000 -0.056 0.000 0.827 317 A HN 0.489 nan 8.150 nan 0.000 0.457 318 N N -1.690 117.091 118.700 0.135 0.000 2.317 318 N HA 0.130 4.886 4.740 0.027 0.000 0.199 318 N C 1.076 176.648 175.510 0.103 0.000 1.145 318 N CA 0.339 53.503 53.050 0.191 0.000 0.882 318 N CB 0.554 39.252 38.487 0.351 0.000 1.113 318 N HN 0.340 nan 8.380 nan 0.000 0.486 319 L N 0.700 121.943 121.223 0.034 0.000 2.467 319 L HA 0.339 4.696 4.340 0.027 0.000 0.213 319 L C 1.846 178.665 176.870 -0.085 0.000 1.053 319 L CA 0.601 55.339 54.840 -0.171 0.000 0.847 319 L CB -0.246 41.623 42.059 -0.318 0.000 1.075 319 L HN -0.058 nan 8.230 nan 0.000 0.479 320 L N -0.677 120.574 121.223 0.046 0.000 2.021 320 L HA -0.314 4.042 4.340 0.027 0.000 0.215 320 L C 2.335 179.312 176.870 0.177 0.000 1.074 320 L CA 1.981 56.913 54.840 0.152 0.000 0.760 320 L CB -0.594 41.609 42.059 0.241 0.000 0.889 320 L HN 0.280 nan 8.230 nan 0.000 0.433 321 S N -0.930 114.858 115.700 0.147 0.000 2.436 321 S HA -0.017 4.470 4.470 0.027 0.000 0.228 321 S C -0.747 173.922 174.600 0.116 0.000 1.014 321 S CA 0.868 59.170 58.200 0.170 0.000 0.950 321 S CB -0.740 62.504 63.200 0.073 0.000 0.784 321 S HN 0.416 nan 8.310 nan 0.000 0.504 322 P HA 0.135 nan 4.420 nan 0.000 0.221 322 P C 1.426 178.690 177.300 -0.059 0.000 1.155 322 P CA 0.982 64.074 63.100 -0.013 0.000 0.812 322 P CB -0.069 31.594 31.700 -0.062 0.000 0.801 323 A N 0.308 123.057 122.820 -0.119 0.000 1.869 323 A HA -0.245 4.091 4.320 0.027 0.000 0.218 323 A C 2.261 179.808 177.584 -0.062 0.000 1.203 323 A CA 1.817 53.725 52.037 -0.216 0.000 0.638 323 A CB -2.124 16.623 19.000 -0.422 0.000 0.831 323 A HN 0.153 nan 8.150 nan 0.000 0.450 324 Y N 0.314 120.710 120.300 0.160 0.000 2.333 324 Y HA -0.163 4.403 4.550 0.027 0.000 0.290 324 Y C 2.918 178.865 175.900 0.079 0.000 1.144 324 Y CA 1.390 59.593 58.100 0.173 0.000 1.228 324 Y CB -0.452 38.115 38.460 0.179 0.000 0.985 324 Y HN 0.318 nan 8.280 nan 0.000 0.542 325 T N 0.337 114.997 114.554 0.177 0.000 2.777 325 T HA -0.137 4.229 4.350 0.027 0.000 0.266 325 T C 1.945 176.638 174.700 -0.011 0.000 1.040 325 T CA 1.082 63.222 62.100 0.067 0.000 1.141 325 T CB -0.355 68.544 68.868 0.052 0.000 0.868 325 T HN 0.243 nan 8.240 nan 0.000 0.444 326 L N 1.211 122.405 121.223 -0.049 0.000 1.988 326 L HA -0.081 4.276 4.340 0.027 0.000 0.207 326 L C 2.995 179.916 176.870 0.085 0.000 1.071 326 L CA 1.365 56.136 54.840 -0.114 0.000 0.744 326 L CB -0.724 41.015 42.059 -0.533 0.000 0.893 326 L HN 0.479 nan 8.230 nan 0.000 0.433 327 C N -2.733 116.636 119.300 0.115 0.000 2.485 327 C HA 0.025 4.501 4.460 0.027 0.000 0.283 327 C C 2.581 177.702 174.990 0.219 0.000 1.478 327 C CA 0.332 59.502 59.018 0.253 0.000 1.741 327 C CB -1.027 26.860 27.740 0.245 0.000 1.675 327 C HN 0.530 nan 8.230 nan 0.000 0.573 328 S N -0.881 114.903 115.700 0.139 0.000 2.549 328 S HA 0.094 4.580 4.470 0.027 0.000 0.225 328 S C 1.526 176.099 174.600 -0.044 0.000 1.039 328 S CA 0.869 59.122 58.200 0.089 0.000 0.942 328 S CB -0.196 63.071 63.200 0.111 0.000 0.881 328 S HN 0.618 nan 8.310 nan 0.000 0.503 329 T N 0.893 115.341 114.554 -0.176 0.000 3.033 329 T HA 0.356 4.722 4.350 0.027 0.000 0.248 329 T C -0.192 174.138 174.700 -0.617 0.000 1.040 329 T CA 0.426 62.238 62.100 -0.479 0.000 1.133 329 T CB -0.157 68.228 68.868 -0.806 0.000 0.895 329 T HN 0.419 nan 8.240 nan 0.000 0.465 330 F N 2.310 122.366 119.950 0.177 0.000 2.366 330 F HA 0.334 4.878 4.527 0.028 0.000 0.328 330 F C -1.727 174.172 175.800 0.166 0.000 1.180 330 F CA -2.379 55.730 58.000 0.183 0.000 1.232 330 F CB 1.098 40.262 39.000 0.273 0.000 1.513 330 F HN -0.001 nan 8.300 nan 0.000 0.540 331 P HA -0.112 nan 4.420 nan 0.000 0.225 331 P C 1.053 178.437 177.300 0.140 0.000 1.156 331 P CA 1.097 64.300 63.100 0.172 0.000 0.787 331 P CB 0.274 32.050 31.700 0.127 0.000 0.802 332 R N -0.569 119.998 120.500 0.112 0.000 2.254 332 R HA 0.135 4.491 4.340 0.027 0.000 0.195 332 R C 1.990 178.293 176.300 0.006 0.000 0.957 332 R CA 0.498 56.632 56.100 0.056 0.000 1.024 332 R CB -0.766 29.557 30.300 0.039 0.000 0.952 332 R HN 0.172 nan 8.270 nan 0.000 0.484 333 V N 0.268 120.177 119.914 -0.009 0.000 2.500 333 V HA 0.062 4.198 4.120 0.027 0.000 0.243 333 V C 0.732 176.607 176.094 -0.364 0.000 1.039 333 V CA 1.228 63.384 62.300 -0.240 0.000 1.053 333 V CB -0.199 31.370 31.823 -0.422 0.000 0.695 333 V HN -0.026 nan 8.190 nan 0.000 0.463 334 F N 0.061 120.077 119.950 0.110 0.000 2.561 334 F HA 0.597 5.141 4.527 0.028 0.000 0.321 334 F C 0.449 176.296 175.800 0.079 0.000 1.065 334 F CA -0.646 57.404 58.000 0.083 0.000 0.934 334 F CB 1.948 41.015 39.000 0.112 0.000 1.215 334 F HN -0.074 nan 8.300 nan 0.000 0.471 335 T N -1.560 113.156 114.554 0.270 0.000 2.940 335 T HA 0.314 4.681 4.350 0.027 0.000 0.288 335 T C 0.567 175.369 174.700 0.170 0.000 1.045 335 T CA -0.581 61.637 62.100 0.197 0.000 1.018 335 T CB 1.211 70.155 68.868 0.126 0.000 1.151 335 T HN 0.518 nan 8.240 nan 0.000 0.529 336 F N 1.790 121.765 119.950 0.041 0.000 2.045 336 F HA -0.135 4.408 4.527 0.027 0.000 0.297 336 F C 2.346 178.129 175.800 -0.028 0.000 1.114 336 F CA 1.904 59.874 58.000 -0.050 0.000 1.207 336 F CB -0.436 38.512 39.000 -0.086 0.000 0.964 336 F HN 0.638 nan 8.300 nan 0.000 0.486 337 K N -0.857 119.485 120.400 -0.098 0.000 2.152 337 K HA -0.165 4.172 4.320 0.027 0.000 0.206 337 K C 2.048 178.572 176.600 -0.126 0.000 1.048 337 K CA 1.916 58.073 56.287 -0.217 0.000 0.933 337 K CB -0.520 31.769 32.500 -0.352 0.000 0.721 337 K HN 0.295 nan 8.250 nan 0.000 0.447 338 T N -0.362 114.158 114.554 -0.057 0.000 2.985 338 T HA -0.029 4.338 4.350 0.027 0.000 0.266 338 T C 1.733 176.451 174.700 0.030 0.000 1.076 338 T CA 1.115 63.244 62.100 0.048 0.000 1.135 338 T CB -0.056 68.898 68.868 0.144 0.000 0.890 338 T HN 0.477 nan 8.240 nan 0.000 0.480 339 G N 0.677 109.414 108.800 -0.104 0.000 2.403 339 G HA2 -0.107 3.869 3.960 0.027 0.000 0.216 339 G HA3 -0.107 3.869 3.960 0.027 0.000 0.216 339 G C 1.659 176.369 174.900 -0.316 0.000 1.154 339 G CA 0.493 45.425 45.100 -0.280 0.000 0.784 339 G HN 0.404 nan 8.290 nan 0.000 0.538 340 V N 0.984 120.663 119.914 -0.391 0.000 2.287 340 V HA -0.185 3.951 4.120 0.027 0.000 0.248 340 V C 2.758 178.707 176.094 -0.240 0.000 1.053 340 V CA 1.676 63.747 62.300 -0.382 0.000 1.027 340 V CB -0.345 31.204 31.823 -0.457 0.000 0.646 340 V HN 0.371 nan 8.190 nan 0.000 0.447 341 I N -0.609 119.904 120.570 -0.095 0.000 2.226 341 I HA -0.196 3.990 4.170 0.027 0.000 0.245 341 I C 2.216 178.302 176.117 -0.051 0.000 1.100 341 I CA 1.232 62.512 61.300 -0.034 0.000 1.374 341 I CB -0.212 37.837 38.000 0.082 0.000 1.057 341 I HN 0.112 nan 8.210 nan 0.000 0.413 342 V N -0.615 119.261 119.914 -0.065 0.000 2.667 342 V HA -0.197 3.939 4.120 0.027 0.000 0.252 342 V C 2.346 178.372 176.094 -0.113 0.000 1.065 342 V CA 1.750 64.011 62.300 -0.065 0.000 1.083 342 V CB -0.296 31.481 31.823 -0.077 0.000 0.692 342 V HN 0.352 nan 8.190 nan 0.000 0.468 343 S N 0.301 115.889 115.700 -0.187 0.000 2.377 343 S HA 0.008 4.495 4.470 0.027 0.000 0.223 343 S C 2.180 176.644 174.600 -0.228 0.000 1.030 343 S CA 1.127 59.201 58.200 -0.210 0.000 0.970 343 S CB -0.228 62.804 63.200 -0.280 0.000 0.830 343 S HN 0.619 nan 8.310 nan 0.000 0.473 344 A N 0.767 123.414 122.820 -0.288 0.000 2.066 344 A HA 0.062 4.398 4.320 0.027 0.000 0.218 344 A C 2.165 179.816 177.584 0.111 0.000 1.157 344 A CA 0.879 52.800 52.037 -0.193 0.000 0.670 344 A CB -0.462 18.427 19.000 -0.185 0.000 0.804 344 A HN 0.335 nan 8.150 nan 0.000 0.453 345 V N -0.899 119.037 119.914 0.037 0.000 2.331 345 V HA -0.156 3.980 4.120 0.027 0.000 0.242 345 V C 2.545 178.687 176.094 0.079 0.000 1.034 345 V CA 1.659 64.004 62.300 0.074 0.000 1.027 345 V CB -0.541 31.310 31.823 0.046 0.000 0.667 345 V HN 0.328 nan 8.190 nan 0.000 0.457 346 V N 1.046 120.983 119.914 0.038 0.000 2.250 346 V HA -0.295 3.841 4.120 0.027 0.000 0.250 346 V C 2.673 178.811 176.094 0.073 0.000 1.060 346 V CA 2.480 64.801 62.300 0.035 0.000 1.030 346 V CB -1.570 30.256 31.823 0.005 0.000 0.643 346 V HN 0.640 nan 8.190 nan 0.000 0.445 347 G N -0.176 108.696 108.800 0.121 0.000 2.574 347 G HA2 -0.305 3.672 3.960 0.027 0.000 0.220 347 G HA3 -0.305 3.672 3.960 0.027 0.000 0.220 347 G C 1.519 176.551 174.900 0.220 0.000 1.173 347 G CA 1.574 46.812 45.100 0.231 0.000 0.772 347 G HN 0.511 nan 8.290 nan 0.000 0.585 348 L N -0.174 121.210 121.223 0.268 0.000 2.156 348 L HA 0.152 4.508 4.340 0.027 0.000 0.208 348 L C 2.526 179.509 176.870 0.187 0.000 1.095 348 L CA 0.187 55.214 54.840 0.311 0.000 0.770 348 L CB -0.240 42.009 42.059 0.317 0.000 0.914 348 L HN 0.154 nan 8.230 nan 0.000 0.439 349 L N -0.427 120.855 121.223 0.099 0.000 2.610 349 L HA -0.025 4.331 4.340 0.027 0.000 0.232 349 L C 1.977 178.812 176.870 -0.059 0.000 1.149 349 L CA 0.325 55.184 54.840 0.031 0.000 0.872 349 L CB -0.203 41.876 42.059 0.033 0.000 0.992 349 L HN 0.376 nan 8.230 nan 0.000 0.447 350 M N -1.038 118.502 119.600 -0.099 0.000 2.556 350 M HA 0.049 4.545 4.480 0.027 0.000 0.245 350 M C 0.644 176.724 176.300 -0.368 0.000 1.128 350 M CA 0.174 55.352 55.300 -0.205 0.000 1.069 350 M CB 0.012 32.527 32.600 -0.142 0.000 1.469 350 M HN 0.174 nan 8.290 nan 0.000 0.494 351 M N 1.698 120.992 119.600 -0.511 0.000 2.137 351 M HA -0.180 4.316 4.480 0.027 0.000 0.185 351 M C -1.743 173.763 176.300 -1.322 0.000 0.597 351 M CA -0.066 54.436 55.300 -1.331 0.000 0.426 351 M CB -1.483 30.671 32.600 -0.744 0.000 1.006 351 M HN 0.033 nan 8.290 nan 0.000 0.922 352 P HA -0.128 nan 4.420 nan 0.000 0.234 352 P C 0.744 177.817 177.300 -0.378 0.000 1.167 352 P CA 1.285 64.035 63.100 -0.584 0.000 0.763 352 P CB -0.248 30.756 31.700 -1.160 0.000 0.835 353 W N -0.209 120.936 121.300 -0.259 0.000 3.077 353 W HA 0.244 4.920 4.660 0.027 0.000 0.245 353 W C 1.246 177.495 176.519 -0.450 0.000 1.316 353 W CA -0.090 56.957 57.345 -0.496 0.000 1.537 353 W CB -1.274 27.312 29.460 -1.457 0.000 1.131 353 W HN -0.032 nan 8.180 nan 0.000 0.695 354 Q N -0.881 118.620 119.800 -0.498 0.000 2.171 354 Q HA 0.188 4.544 4.340 0.027 0.000 0.218 354 Q C 0.197 175.697 176.000 -0.833 0.000 0.822 354 Q CA 0.003 55.435 55.803 -0.619 0.000 0.987 354 Q CB 0.153 28.421 28.738 -0.783 0.000 1.144 354 Q HN 0.385 nan 8.270 nan 0.000 0.494 355 F N -2.278 117.598 119.950 -0.123 0.000 2.856 355 F HA 0.366 4.909 4.527 0.027 0.000 0.338 355 F C 1.587 177.399 175.800 0.021 0.000 1.100 355 F CA -0.034 57.939 58.000 -0.044 0.000 1.150 355 F CB 0.295 39.278 39.000 -0.029 0.000 1.101 355 F HN 0.019 nan 8.300 nan 0.000 0.548 356 A N 0.762 123.696 122.820 0.189 0.000 1.930 356 A HA 0.085 4.421 4.320 0.027 0.000 0.217 356 A C 2.466 180.086 177.584 0.061 0.000 1.175 356 A CA 1.871 53.974 52.037 0.110 0.000 0.627 356 A CB -1.307 17.627 19.000 -0.110 0.000 0.815 356 A HN 0.363 nan 8.150 nan 0.000 0.443 357 G N 0.016 108.849 108.800 0.054 0.000 2.552 357 G HA2 -0.176 3.800 3.960 0.027 0.000 0.216 357 G HA3 -0.176 3.800 3.960 0.027 0.000 0.216 357 G C 1.540 176.462 174.900 0.036 0.000 1.240 357 G CA 1.729 46.860 45.100 0.052 0.000 0.796 357 G HN 0.326 nan 8.290 nan 0.000 0.568 358 V N 1.352 121.276 119.914 0.016 0.000 2.215 358 V HA -0.232 3.905 4.120 0.027 0.000 0.249 358 V C 2.843 178.958 176.094 0.034 0.000 1.054 358 V CA 2.063 64.374 62.300 0.018 0.000 1.012 358 V CB -0.798 31.036 31.823 0.019 0.000 0.639 358 V HN 0.350 nan 8.190 nan 0.000 0.448 359 L N 0.358 121.609 121.223 0.046 0.000 2.551 359 L HA -0.080 4.277 4.340 0.027 0.000 0.228 359 L C 2.295 179.190 176.870 0.042 0.000 1.153 359 L CA 0.882 55.747 54.840 0.041 0.000 0.851 359 L CB -1.120 40.933 42.059 -0.010 0.000 0.959 359 L HN 0.518 nan 8.230 nan 0.000 0.451 360 N N 0.467 119.189 118.700 0.038 0.000 2.161 360 N HA -0.308 4.449 4.740 0.027 0.000 0.199 360 N C 1.486 177.024 175.510 0.046 0.000 0.990 360 N CA 2.607 55.686 53.050 0.049 0.000 0.902 360 N CB 0.025 38.542 38.487 0.050 0.000 1.074 360 N HN 0.306 nan 8.380 nan 0.000 0.556 361 T N -0.087 114.502 114.554 0.058 0.000 2.867 361 T HA -0.100 4.266 4.350 0.027 0.000 0.268 361 T C 1.423 176.179 174.700 0.093 0.000 1.057 361 T CA 0.792 62.929 62.100 0.062 0.000 1.136 361 T CB -0.403 68.506 68.868 0.067 0.000 0.874 361 T HN 0.299 nan 8.240 nan 0.000 0.466 362 F N 1.835 121.754 119.950 -0.052 0.000 2.146 362 F HA 0.067 4.611 4.527 0.029 0.000 0.298 362 F C 1.844 177.590 175.800 -0.090 0.000 1.096 362 F CA 0.904 58.863 58.000 -0.069 0.000 1.275 362 F CB -0.494 38.444 39.000 -0.103 0.000 1.008 362 F HN 0.045 nan 8.300 nan 0.000 0.480 363 L N -0.187 120.938 121.223 -0.163 0.000 2.141 363 L HA -0.208 4.149 4.340 0.027 0.000 0.209 363 L C 2.023 178.813 176.870 -0.133 0.000 1.094 363 L CA 1.397 56.087 54.840 -0.250 0.000 0.763 363 L CB -0.829 41.114 42.059 -0.194 0.000 0.908 363 L HN 0.152 nan 8.230 nan 0.000 0.437 364 N N -0.187 118.471 118.700 -0.070 0.000 2.289 364 N HA -0.135 4.621 4.740 0.027 0.000 0.184 364 N C 1.847 177.301 175.510 -0.093 0.000 1.016 364 N CA 0.811 53.825 53.050 -0.061 0.000 0.872 364 N CB 0.063 38.525 38.487 -0.042 0.000 0.973 364 N HN 0.206 nan 8.380 nan 0.000 0.433 365 L N -0.100 121.045 121.223 -0.131 0.000 2.023 365 L HA -0.099 4.257 4.340 0.027 0.000 0.205 365 L C 1.911 178.674 176.870 -0.177 0.000 1.073 365 L CA 0.972 55.728 54.840 -0.141 0.000 0.745 365 L CB -0.584 41.396 42.059 -0.132 0.000 0.900 365 L HN 0.251 nan 8.230 nan 0.000 0.435 366 L N -0.322 120.715 121.223 -0.310 0.000 2.042 366 L HA -0.227 4.129 4.340 0.027 0.000 0.210 366 L C 2.855 179.661 176.870 -0.107 0.000 1.076 366 L CA 1.297 55.981 54.840 -0.260 0.000 0.749 366 L CB -0.806 41.014 42.059 -0.398 0.000 0.893 366 L HN 0.255 nan 8.230 nan 0.000 0.432 367 A N 0.406 123.174 122.820 -0.086 0.000 1.858 367 A HA -0.214 4.122 4.320 0.027 0.000 0.216 367 A C 2.472 180.053 177.584 -0.006 0.000 1.190 367 A CA 2.050 54.065 52.037 -0.036 0.000 0.617 367 A CB -0.862 18.108 19.000 -0.051 0.000 0.827 367 A HN 0.508 nan 8.150 nan 0.000 0.443 368 S N -0.163 115.527 115.700 -0.016 0.000 2.547 368 S HA 0.244 4.730 4.470 0.027 0.000 0.235 368 S C 1.388 176.063 174.600 0.124 0.000 0.980 368 S CA 0.770 59.023 58.200 0.088 0.000 0.941 368 S CB -0.422 62.801 63.200 0.039 0.000 0.763 368 S HN 0.917 nan 8.310 nan 0.000 0.532 369 A N 0.841 123.690 122.820 0.049 0.000 2.346 369 A HA 0.538 4.874 4.320 0.027 0.000 0.242 369 A C 1.258 178.936 177.584 0.157 0.000 1.323 369 A CA -0.119 51.951 52.037 0.055 0.000 0.940 369 A CB -0.626 18.402 19.000 0.047 0.000 0.943 369 A HN 0.593 nan 8.150 nan 0.000 0.501 370 L N -1.893 119.465 121.223 0.226 0.000 2.766 370 L HA 0.183 4.539 4.340 0.027 0.000 0.242 370 L C 2.263 179.311 176.870 0.297 0.000 1.136 370 L CA 0.427 55.444 54.840 0.294 0.000 0.933 370 L CB 0.105 42.329 42.059 0.276 0.000 1.241 370 L HN 0.468 nan 8.230 nan 0.000 0.522 371 G N 2.163 111.067 108.800 0.174 0.000 2.446 371 G HA2 -0.165 3.812 3.960 0.027 0.000 0.217 371 G HA3 -0.165 3.812 3.960 0.027 0.000 0.217 371 G C -0.458 174.330 174.900 -0.186 0.000 1.168 371 G CA 0.790 45.741 45.100 -0.248 0.000 0.771 371 G HN 0.259 nan 8.290 nan 0.000 0.551 372 P HA -0.049 nan 4.420 nan 0.000 0.218 372 P C 2.097 179.457 177.300 0.100 0.000 1.149 372 P CA 0.595 63.572 63.100 -0.205 0.000 0.817 372 P CB -0.051 31.247 31.700 -0.669 0.000 0.785 373 L N 0.356 121.778 121.223 0.332 0.000 2.046 373 L HA -0.082 4.275 4.340 0.027 0.000 0.208 373 L C 2.451 179.511 176.870 0.318 0.000 1.077 373 L CA 2.183 57.316 54.840 0.488 0.000 0.747 373 L CB -1.382 40.944 42.059 0.446 0.000 0.896 373 L HN -0.100 nan 8.230 nan 0.000 0.432 374 A N -0.878 122.087 122.820 0.242 0.000 2.014 374 A HA 0.050 4.386 4.320 0.027 0.000 0.218 374 A C 2.256 179.911 177.584 0.119 0.000 1.163 374 A CA 1.187 53.353 52.037 0.214 0.000 0.652 374 A CB -1.279 17.861 19.000 0.235 0.000 0.808 374 A HN 0.532 nan 8.150 nan 0.000 0.449 375 G N -0.287 108.538 108.800 0.041 0.000 2.408 375 G HA2 -0.052 3.924 3.960 0.027 0.000 0.215 375 G HA3 -0.052 3.924 3.960 0.027 0.000 0.215 375 G C 1.454 176.338 174.900 -0.027 0.000 1.156 375 G CA 0.889 45.979 45.100 -0.018 0.000 0.793 375 G HN 0.440 nan 8.290 nan 0.000 0.535 376 I N 0.274 120.818 120.570 -0.043 0.000 2.617 376 I HA -0.016 4.170 4.170 0.027 0.000 0.256 376 I C 2.725 178.664 176.117 -0.296 0.000 1.167 376 I CA 0.651 61.788 61.300 -0.271 0.000 1.469 376 I CB -0.005 37.824 38.000 -0.286 0.000 1.098 376 I HN 0.176 nan 8.210 nan 0.000 0.436 377 M N -0.244 119.316 119.600 -0.066 0.000 2.287 377 M HA -0.067 4.429 4.480 0.027 0.000 0.266 377 M C 2.259 178.609 176.300 0.083 0.000 1.079 377 M CA 1.563 56.856 55.300 -0.013 0.000 1.146 377 M CB -0.062 32.597 32.600 0.098 0.000 1.374 377 M HN 0.134 nan 8.290 nan 0.000 0.435 378 I N -0.692 119.963 120.570 0.141 0.000 2.394 378 I HA -0.259 3.927 4.170 0.027 0.000 0.251 378 I C 2.658 178.935 176.117 0.266 0.000 1.136 378 I CA 1.028 62.493 61.300 0.274 0.000 1.425 378 I CB -0.228 37.905 38.000 0.222 0.000 1.079 378 I HN 0.257 nan 8.210 nan 0.000 0.425 379 S N -0.074 115.694 115.700 0.113 0.000 2.362 379 S HA -0.205 4.281 4.470 0.027 0.000 0.221 379 S C 1.944 176.632 174.600 0.146 0.000 1.032 379 S CA 1.194 59.465 58.200 0.120 0.000 0.973 379 S CB -0.265 62.983 63.200 0.079 0.000 0.849 379 S HN 0.427 nan 8.310 nan 0.000 0.465 380 D N -0.557 119.885 120.400 0.069 0.000 2.103 380 D HA -0.203 4.453 4.640 0.027 0.000 0.190 380 D C 1.804 178.166 176.300 0.102 0.000 0.997 380 D CA 1.635 55.695 54.000 0.099 0.000 0.833 380 D CB -0.292 40.484 40.800 -0.040 0.000 0.961 380 D HN 0.563 nan 8.370 nan 0.000 0.447 381 Y N -0.154 120.121 120.300 -0.041 0.000 2.163 381 Y HA -0.148 4.417 4.550 0.025 0.000 0.288 381 Y C 2.210 178.040 175.900 -0.117 0.000 1.136 381 Y CA 1.648 59.680 58.100 -0.114 0.000 1.147 381 Y CB -0.641 37.688 38.460 -0.219 0.000 0.987 381 Y HN -0.071 nan 8.280 nan 0.000 0.509 382 F N -0.656 119.335 119.950 0.067 0.000 2.149 382 F HA -0.104 4.443 4.527 0.033 0.000 0.294 382 F C 2.010 177.805 175.800 -0.009 0.000 1.095 382 F CA 1.217 59.206 58.000 -0.018 0.000 1.276 382 F CB -0.200 38.863 39.000 0.106 0.000 1.023 382 F HN -0.012 nan 8.300 nan 0.000 0.480 383 L N -1.341 120.010 121.223 0.213 0.000 2.185 383 L HA -0.041 4.315 4.340 0.027 0.000 0.198 383 L C 2.247 179.188 176.870 0.119 0.000 1.079 383 L CA 0.298 55.226 54.840 0.147 0.000 0.780 383 L CB -0.812 41.321 42.059 0.123 0.000 0.955 383 L HN -0.132 nan 8.230 nan 0.000 0.462 384 V N 0.432 120.416 119.914 0.118 0.000 2.223 384 V HA -0.241 3.895 4.120 0.027 0.000 0.244 384 V C 2.492 178.647 176.094 0.101 0.000 1.045 384 V CA 1.875 64.235 62.300 0.100 0.000 1.000 384 V CB -0.610 31.273 31.823 0.100 0.000 0.635 384 V HN 0.411 nan 8.190 nan 0.000 0.445 385 R N -0.666 119.873 120.500 0.064 0.000 2.246 385 R HA 0.184 4.540 4.340 0.027 0.000 0.199 385 R C 0.560 176.989 176.300 0.215 0.000 0.984 385 R CA -0.029 56.130 56.100 0.097 0.000 1.015 385 R CB -0.000 30.293 30.300 -0.011 0.000 0.930 385 R HN 0.404 nan 8.270 nan 0.000 0.475 386 R N 0.609 121.150 120.500 0.069 0.000 3.423 386 R HA -0.194 4.163 4.340 0.027 0.000 0.271 386 R C -0.475 175.789 176.300 -0.061 0.000 1.093 386 R CA 0.657 56.778 56.100 0.035 0.000 0.730 386 R CB -1.579 28.781 30.300 0.100 0.000 1.190 386 R HN 0.379 nan 8.270 nan 0.000 0.437 387 R N -1.891 118.402 120.500 -0.345 0.000 3.989 387 R HA -0.225 4.132 4.340 0.027 0.000 0.377 387 R C 0.032 176.334 176.300 0.003 0.000 1.158 387 R CA 1.751 57.553 56.100 -0.497 0.000 1.035 387 R CB -0.971 29.171 30.300 -0.263 0.000 1.557 387 R HN 0.445 nan 8.270 nan 0.000 0.551 388 R N 1.674 122.236 120.500 0.103 0.000 2.278 388 R HA 0.402 4.758 4.340 0.027 0.000 0.322 388 R C -0.018 176.407 176.300 0.209 0.000 1.058 388 R CA -0.440 55.791 56.100 0.218 0.000 0.991 388 R CB 0.424 30.891 30.300 0.278 0.000 1.140 388 R HN 0.325 nan 8.270 nan 0.000 0.518 389 I N -0.994 119.603 120.570 0.045 0.000 2.957 389 I HA 0.559 4.746 4.170 0.027 0.000 0.310 389 I C -0.687 175.361 176.117 -0.116 0.000 1.063 389 I CA -0.785 60.502 61.300 -0.023 0.000 1.033 389 I CB 2.509 40.439 38.000 -0.117 0.000 1.230 389 I HN 0.327 nan 8.210 nan 0.000 0.447 390 S N 4.213 119.915 115.700 0.002 0.000 2.516 390 S HA 0.442 4.928 4.470 0.027 0.000 0.268 390 S C 0.917 175.497 174.600 -0.034 0.000 1.251 390 S CA -0.802 57.380 58.200 -0.030 0.000 1.153 390 S CB 0.051 63.239 63.200 -0.021 0.000 1.009 390 S HN 0.728 nan 8.310 nan 0.000 0.479 391 L N 2.781 123.882 121.223 -0.202 0.000 2.051 391 L HA -0.189 4.168 4.340 0.027 0.000 0.214 391 L C 2.421 179.220 176.870 -0.119 0.000 1.076 391 L CA 2.059 56.743 54.840 -0.260 0.000 0.758 391 L CB -1.048 40.664 42.059 -0.579 0.000 0.890 391 L HN 0.770 nan 8.230 nan 0.000 0.433 392 H N 0.724 119.741 119.070 -0.089 0.000 2.321 392 H HA -0.230 4.342 4.556 0.027 0.000 0.295 392 H C 1.646 177.013 175.328 0.064 0.000 1.102 392 H CA 2.470 58.565 56.048 0.078 0.000 1.266 392 H CB -0.073 29.742 29.762 0.088 0.000 1.363 392 H HN 0.354 nan 8.280 nan 0.000 0.492 393 D N -0.628 119.773 120.400 0.002 0.000 2.289 393 D HA 0.002 4.658 4.640 0.027 0.000 0.207 393 D C 1.975 178.289 176.300 0.024 0.000 0.966 393 D CA 0.503 54.450 54.000 -0.087 0.000 0.868 393 D CB 0.046 40.690 40.800 -0.259 0.000 0.943 393 D HN 0.388 nan 8.370 nan 0.000 0.514 394 L N -0.596 120.645 121.223 0.029 0.000 2.376 394 L HA -0.063 4.294 4.340 0.027 0.000 0.219 394 L C 0.743 177.355 176.870 -0.430 0.000 1.133 394 L CA 0.834 55.545 54.840 -0.214 0.000 0.816 394 L CB -0.037 41.758 42.059 -0.440 0.000 0.933 394 L HN 0.128 nan 8.230 nan 0.000 0.449 395 Y N -0.901 119.328 120.300 -0.119 0.000 2.658 395 Y HA 0.314 4.881 4.550 0.028 0.000 0.276 395 Y C 0.563 176.401 175.900 -0.104 0.000 1.167 395 Y CA -0.336 57.705 58.100 -0.099 0.000 1.230 395 Y CB 0.464 38.882 38.460 -0.070 0.000 1.144 395 Y HN -0.053 nan 8.280 nan 0.000 0.529 396 R N -0.997 119.476 120.500 -0.045 0.000 2.574 396 R HA 0.254 4.611 4.340 0.027 0.000 0.288 396 R C 0.860 177.118 176.300 -0.071 0.000 1.004 396 R CA -0.081 55.974 56.100 -0.076 0.000 0.895 396 R CB 1.409 31.601 30.300 -0.181 0.000 1.191 396 R HN 0.009 nan 8.270 nan 0.000 0.444 397 T N 2.064 116.590 114.554 -0.048 0.000 2.721 397 T HA -0.132 4.234 4.350 0.027 0.000 0.268 397 T C 0.008 174.675 174.700 -0.055 0.000 1.038 397 T CA 1.538 63.613 62.100 -0.043 0.000 1.145 397 T CB 0.057 68.913 68.868 -0.020 0.000 0.858 397 T HN 0.353 nan 8.240 nan 0.000 0.459 398 K N 0.924 121.287 120.400 -0.061 0.000 2.507 398 K HA 0.570 4.906 4.320 0.027 0.000 0.253 398 K C -0.063 176.477 176.600 -0.100 0.000 0.969 398 K CA -0.477 55.766 56.287 -0.073 0.000 0.908 398 K CB 2.037 34.511 32.500 -0.042 0.000 1.127 398 K HN 0.281 nan 8.250 nan 0.000 0.437 399 G N 0.941 109.646 108.800 -0.157 0.000 2.664 399 G HA2 0.175 4.152 3.960 0.027 0.000 0.303 399 G HA3 0.175 4.152 3.960 0.027 0.000 0.303 399 G C 0.302 174.995 174.900 -0.344 0.000 1.243 399 G CA -0.866 44.111 45.100 -0.204 0.000 0.826 399 G HN 0.550 nan 8.290 nan 0.000 0.498 400 I N -1.820 118.450 120.570 -0.500 0.000 3.334 400 I HA 0.253 4.439 4.170 0.027 0.000 0.282 400 I C 0.510 176.068 176.117 -0.930 0.000 1.313 400 I CA 0.736 61.628 61.300 -0.680 0.000 1.396 400 I CB -0.265 37.328 38.000 -0.679 0.000 1.054 400 I HN 0.392 nan 8.210 nan 0.000 0.495 401 Y N 0.330 120.333 120.300 -0.494 0.000 2.660 401 Y HA 0.256 4.823 4.550 0.028 0.000 0.254 401 Y C 1.842 177.438 175.900 -0.506 0.000 1.176 401 Y CA -0.494 57.270 58.100 -0.559 0.000 1.195 401 Y CB 0.458 38.762 38.460 -0.259 0.000 1.190 401 Y HN 0.089 nan 8.280 nan 0.000 0.535 402 T N -1.256 113.018 114.554 -0.467 0.000 3.009 402 T HA -0.030 4.336 4.350 0.027 0.000 0.258 402 T C 0.160 174.684 174.700 -0.294 0.000 1.063 402 T CA 0.587 62.528 62.100 -0.266 0.000 1.139 402 T CB -0.222 68.525 68.868 -0.202 0.000 0.890 402 T HN 0.288 nan 8.240 nan 0.000 0.471 403 Y N -0.307 119.567 120.300 -0.710 0.000 2.857 403 Y HA -0.298 4.268 4.550 0.028 0.000 0.463 403 Y C 0.257 175.706 175.900 -0.752 0.000 1.175 403 Y CA 0.316 57.584 58.100 -1.385 0.000 2.549 403 Y CB -1.077 36.862 38.460 -0.869 0.000 1.208 403 Y HN 0.279 nan 8.280 nan 0.000 0.633 404 W N 3.730 125.038 121.300 0.014 0.000 2.351 404 W HA 0.345 5.021 4.660 0.026 0.000 0.421 404 W C 0.829 177.444 176.519 0.159 0.000 1.000 404 W CA 0.340 57.827 57.345 0.236 0.000 1.610 404 W CB 0.193 29.897 29.460 0.408 0.000 1.700 404 W HN 0.408 nan 8.180 nan 0.000 0.351 405 R N 0.921 121.571 120.500 0.250 0.000 3.525 405 R HA -0.240 4.117 4.340 0.027 0.000 0.276 405 R C 1.092 177.462 176.300 0.117 0.000 1.116 405 R CA 0.933 57.140 56.100 0.178 0.000 0.745 405 R CB -1.338 29.099 30.300 0.228 0.000 1.185 405 R HN 0.853 nan 8.270 nan 0.000 0.454 406 G N -2.126 106.712 108.800 0.064 0.000 2.179 406 G HA2 -0.238 3.738 3.960 0.027 0.000 0.220 406 G HA3 -0.238 3.738 3.960 0.027 0.000 0.220 406 G C -0.179 174.708 174.900 -0.021 0.000 0.990 406 G CA -0.084 45.025 45.100 0.014 0.000 0.646 406 G HN 0.345 nan 8.290 nan 0.000 0.517 407 V N 0.835 120.727 119.914 -0.037 0.000 2.686 407 V HA 0.603 4.739 4.120 0.027 0.000 0.306 407 V C -0.570 175.366 176.094 -0.263 0.000 1.065 407 V CA -1.004 61.123 62.300 -0.290 0.000 0.894 407 V CB 1.943 33.345 31.823 -0.702 0.000 1.004 407 V HN 0.294 nan 8.190 nan 0.000 0.424 408 N N 3.155 121.649 118.700 -0.344 0.000 2.767 408 N HA 0.171 4.927 4.740 0.027 0.000 0.238 408 N C 0.495 175.956 175.510 -0.082 0.000 1.083 408 N CA -0.447 52.442 53.050 -0.269 0.000 0.964 408 N CB 0.388 38.363 38.487 -0.854 0.000 1.252 408 N HN 0.686 nan 8.380 nan 0.000 0.512 409 W N 2.174 123.570 121.300 0.161 0.000 2.350 409 W HA -0.122 4.554 4.660 0.027 0.000 0.289 409 W C 1.994 178.553 176.519 0.065 0.000 1.215 409 W CA 0.243 57.596 57.345 0.013 0.000 1.236 409 W CB -0.265 29.090 29.460 -0.174 0.000 1.130 409 W HN 0.294 nan 8.180 nan 0.000 0.541 410 V N 0.731 120.839 119.914 0.325 0.000 2.407 410 V HA -0.308 3.828 4.120 0.027 0.000 0.248 410 V C 2.371 178.610 176.094 0.242 0.000 1.055 410 V CA 1.955 64.443 62.300 0.313 0.000 1.049 410 V CB -1.443 30.624 31.823 0.406 0.000 0.662 410 V HN 0.250 nan 8.190 nan 0.000 0.455 411 A N -0.136 122.789 122.820 0.176 0.000 1.898 411 A HA -0.096 4.240 4.320 0.027 0.000 0.216 411 A C 2.155 179.946 177.584 0.346 0.000 1.181 411 A CA 1.450 53.609 52.037 0.204 0.000 0.620 411 A CB -0.509 18.502 19.000 0.017 0.000 0.819 411 A HN 0.493 nan 8.150 nan 0.000 0.442 412 L N -0.772 120.629 121.223 0.297 0.000 2.261 412 L HA -0.219 4.137 4.340 0.027 0.000 0.216 412 L C 2.948 179.993 176.870 0.292 0.000 1.114 412 L CA 0.935 55.930 54.840 0.258 0.000 0.777 412 L CB -0.633 41.501 42.059 0.125 0.000 0.910 412 L HN 0.487 nan 8.230 nan 0.000 0.440 413 A N -0.174 122.811 122.820 0.274 0.000 1.855 413 A HA -0.087 4.250 4.320 0.027 0.000 0.213 413 A C 2.304 180.021 177.584 0.221 0.000 1.195 413 A CA 1.129 53.304 52.037 0.231 0.000 0.610 413 A CB -0.707 18.415 19.000 0.204 0.000 0.837 413 A HN 0.129 nan 8.150 nan 0.000 0.444 414 V N -1.137 118.918 119.914 0.234 0.000 2.380 414 V HA -0.323 3.813 4.120 0.027 0.000 0.251 414 V C 2.308 178.533 176.094 0.218 0.000 1.063 414 V CA 2.280 64.705 62.300 0.209 0.000 1.055 414 V CB -1.048 30.924 31.823 0.247 0.000 0.657 414 V HN 0.679 nan 8.190 nan 0.000 0.455 415 Y N 0.856 121.266 120.300 0.184 0.000 2.114 415 Y HA -0.221 4.347 4.550 0.031 0.000 0.284 415 Y C 2.417 178.388 175.900 0.119 0.000 1.143 415 Y CA 1.819 60.016 58.100 0.163 0.000 1.135 415 Y CB -0.542 38.030 38.460 0.187 0.000 0.980 415 Y HN 0.171 nan 8.280 nan 0.000 0.499 416 A N -0.477 122.523 122.820 0.300 0.000 1.841 416 A HA -0.238 4.098 4.320 0.027 0.000 0.216 416 A C 2.346 179.998 177.584 0.113 0.000 1.199 416 A CA 2.445 54.602 52.037 0.200 0.000 0.621 416 A CB -1.504 17.604 19.000 0.180 0.000 0.835 416 A HN 0.317 nan 8.150 nan 0.000 0.445 417 V N -0.123 119.851 119.914 0.100 0.000 2.277 417 V HA -0.366 3.771 4.120 0.027 0.000 0.253 417 V C 3.023 179.141 176.094 0.040 0.000 1.067 417 V CA 2.480 64.820 62.300 0.065 0.000 1.047 417 V CB -1.286 30.573 31.823 0.059 0.000 0.649 417 V HN 0.683 nan 8.190 nan 0.000 0.447 418 A N -1.210 121.613 122.820 0.006 0.000 1.929 418 A HA -0.096 4.240 4.320 0.027 0.000 0.216 418 A C 2.246 179.790 177.584 -0.067 0.000 1.176 418 A CA 1.555 53.563 52.037 -0.048 0.000 0.628 418 A CB -0.437 18.504 19.000 -0.098 0.000 0.816 418 A HN 0.490 nan 8.150 nan 0.000 0.444 419 L N -0.773 120.406 121.223 -0.073 0.000 2.046 419 L HA -0.204 4.152 4.340 0.027 0.000 0.208 419 L C 3.004 179.992 176.870 0.198 0.000 1.077 419 L CA 1.204 56.042 54.840 -0.002 0.000 0.747 419 L CB -0.476 41.616 42.059 0.054 0.000 0.896 419 L HN 0.474 nan 8.230 nan 0.000 0.432 420 A N -0.429 122.512 122.820 0.201 0.000 1.834 420 A HA -0.219 4.117 4.320 0.027 0.000 0.216 420 A C 2.135 179.847 177.584 0.214 0.000 1.203 420 A CA 1.994 54.177 52.037 0.243 0.000 0.621 420 A CB -1.161 17.905 19.000 0.110 0.000 0.841 420 A HN 0.212 nan 8.150 nan 0.000 0.446 421 V N 0.234 120.210 119.914 0.102 0.000 2.495 421 V HA -0.296 3.841 4.120 0.027 0.000 0.260 421 V C 2.771 178.894 176.094 0.049 0.000 1.097 421 V CA 2.413 64.751 62.300 0.063 0.000 1.105 421 V CB -0.918 30.918 31.823 0.022 0.000 0.678 421 V HN 0.687 nan 8.190 nan 0.000 0.469 422 S N -0.975 114.739 115.700 0.024 0.000 2.399 422 S HA -0.134 4.353 4.470 0.027 0.000 0.231 422 S C 1.652 176.176 174.600 -0.127 0.000 1.022 422 S CA 1.392 59.537 58.200 -0.093 0.000 0.983 422 S CB -0.358 62.727 63.200 -0.191 0.000 0.803 422 S HN 0.603 nan 8.310 nan 0.000 0.480 423 F N 1.448 121.394 119.950 -0.006 0.000 2.502 423 F HA 0.197 4.742 4.527 0.031 0.000 0.298 423 F C 1.672 177.474 175.800 0.005 0.000 1.111 423 F CA 0.506 58.508 58.000 0.003 0.000 1.445 423 F CB -0.156 38.848 39.000 0.005 0.000 1.081 423 F HN 0.179 nan 8.300 nan 0.000 0.558 424 L N -0.290 121.021 121.223 0.147 0.000 2.549 424 L HA -0.054 4.302 4.340 0.027 0.000 0.229 424 L C 0.854 177.755 176.870 0.052 0.000 1.158 424 L CA 1.155 56.048 54.840 0.089 0.000 0.842 424 L CB -1.110 40.986 42.059 0.062 0.000 0.952 424 L HN 0.202 nan 8.230 nan 0.000 0.452 425 T N -5.316 109.254 114.554 0.026 0.000 3.658 425 T HA 0.291 4.658 4.350 0.027 0.000 0.245 425 T C -1.962 172.731 174.700 -0.012 0.000 1.292 425 T CA -1.248 60.857 62.100 0.008 0.000 1.598 425 T CB 0.924 69.792 68.868 -0.001 0.000 0.861 425 T HN -0.193 nan 8.240 nan 0.000 0.663 426 P HA -0.120 nan 4.420 nan 0.000 0.218 426 P C 0.855 178.144 177.300 -0.017 0.000 1.152 426 P CA 1.301 64.393 63.100 -0.015 0.000 0.857 426 P CB 0.063 31.781 31.700 0.030 0.000 0.787 427 D N -1.939 118.461 120.400 -0.000 0.000 2.349 427 D HA 0.068 4.724 4.640 0.027 0.000 0.224 427 D C 1.072 177.374 176.300 0.003 0.000 1.029 427 D CA 0.643 54.644 54.000 0.001 0.000 0.879 427 D CB -0.073 40.735 40.800 0.013 0.000 0.906 427 D HN 0.249 nan 8.370 nan 0.000 0.528 428 L N -0.374 120.851 121.223 0.002 0.000 3.333 428 L HA 0.284 4.640 4.340 0.027 0.000 0.299 428 L C 1.684 178.560 176.870 0.009 0.000 1.256 428 L CA -0.107 54.745 54.840 0.019 0.000 1.037 428 L CB 0.296 42.367 42.059 0.019 0.000 1.423 428 L HN -0.102 nan 8.230 nan 0.000 0.605 429 M N 0.403 119.985 119.600 -0.030 0.000 2.270 429 M HA -0.358 4.139 4.480 0.027 0.000 0.254 429 M C 2.232 178.510 176.300 -0.036 0.000 1.072 429 M CA 2.562 57.807 55.300 -0.091 0.000 1.077 429 M CB -0.240 32.259 32.600 -0.167 0.000 1.288 429 M HN 0.432 nan 8.290 nan 0.000 0.424 430 F N 0.086 119.976 119.950 -0.099 0.000 2.065 430 F HA -0.241 4.301 4.527 0.025 0.000 0.298 430 F C 1.917 177.693 175.800 -0.040 0.000 1.112 430 F CA 2.103 60.065 58.000 -0.063 0.000 1.212 430 F CB -0.732 38.250 39.000 -0.030 0.000 0.975 430 F HN -0.034 nan 8.300 nan 0.000 0.476 431 V N -0.668 119.178 119.914 -0.113 0.000 2.667 431 V HA -0.232 3.904 4.120 0.027 0.000 0.252 431 V C 2.307 178.295 176.094 -0.177 0.000 1.065 431 V CA 2.202 64.378 62.300 -0.206 0.000 1.083 431 V CB -0.648 31.177 31.823 0.004 0.000 0.692 431 V HN 0.472 nan 8.190 nan 0.000 0.468 432 T N -0.164 114.315 114.554 -0.125 0.000 2.812 432 T HA -0.043 4.324 4.350 0.027 0.000 0.264 432 T C 1.841 176.456 174.700 -0.142 0.000 1.042 432 T CA 1.362 63.398 62.100 -0.108 0.000 1.140 432 T CB -0.311 68.514 68.868 -0.071 0.000 0.870 432 T HN 0.600 nan 8.240 nan 0.000 0.445 433 G N 1.093 109.783 108.800 -0.184 0.000 2.422 433 G HA2 -0.104 3.872 3.960 0.027 0.000 0.218 433 G HA3 -0.104 3.872 3.960 0.027 0.000 0.218 433 G C 1.526 176.292 174.900 -0.223 0.000 1.140 433 G CA 0.509 45.490 45.100 -0.199 0.000 0.775 433 G HN 0.470 nan 8.290 nan 0.000 0.545 434 L N 0.230 121.269 121.223 -0.307 0.000 1.988 434 L HA 0.001 4.358 4.340 0.027 0.000 0.207 434 L C 2.692 179.459 176.870 -0.171 0.000 1.071 434 L CA 1.041 55.711 54.840 -0.283 0.000 0.744 434 L CB -0.206 41.579 42.059 -0.457 0.000 0.893 434 L HN 0.045 nan 8.230 nan 0.000 0.433 435 I N 0.558 121.034 120.570 -0.158 0.000 2.264 435 I HA -0.293 3.893 4.170 0.027 0.000 0.248 435 I C 2.787 178.862 176.117 -0.071 0.000 1.111 435 I CA 1.531 62.771 61.300 -0.100 0.000 1.382 435 I CB -1.560 36.390 38.000 -0.082 0.000 1.060 435 I HN 0.414 nan 8.210 nan 0.000 0.418 436 A N 0.805 123.579 122.820 -0.077 0.000 1.855 436 A HA -0.055 4.282 4.320 0.027 0.000 0.215 436 A C 2.610 180.175 177.584 -0.032 0.000 1.191 436 A CA 1.791 53.798 52.037 -0.049 0.000 0.613 436 A CB -0.796 18.171 19.000 -0.054 0.000 0.829 436 A HN 0.395 nan 8.150 nan 0.000 0.442 437 A N -0.229 122.558 122.820 -0.055 0.000 1.877 437 A HA -0.099 4.238 4.320 0.027 0.000 0.216 437 A C 2.224 179.816 177.584 0.013 0.000 1.186 437 A CA 1.553 53.577 52.037 -0.022 0.000 0.620 437 A CB -0.785 18.179 19.000 -0.060 0.000 0.822 437 A HN 0.589 nan 8.150 nan 0.000 0.443 438 L N -0.513 120.698 121.223 -0.018 0.000 1.978 438 L HA -0.252 4.104 4.340 0.027 0.000 0.218 438 L C 2.569 179.463 176.870 0.040 0.000 1.075 438 L CA 2.043 56.883 54.840 0.001 0.000 0.767 438 L CB -0.319 41.718 42.059 -0.037 0.000 0.890 438 L HN 0.466 nan 8.230 nan 0.000 0.434 439 L N -0.701 120.532 121.223 0.018 0.000 2.046 439 L HA -0.250 4.106 4.340 0.027 0.000 0.208 439 L C 2.456 179.355 176.870 0.048 0.000 1.077 439 L CA 1.124 55.980 54.840 0.026 0.000 0.747 439 L CB -0.455 41.607 42.059 0.005 0.000 0.896 439 L HN 0.337 nan 8.230 nan 0.000 0.432 440 L N -1.446 119.811 121.223 0.055 0.000 2.201 440 L HA -0.190 4.166 4.340 0.027 0.000 0.212 440 L C 2.531 179.459 176.870 0.098 0.000 1.105 440 L CA 0.768 55.646 54.840 0.064 0.000 0.775 440 L CB -0.848 41.247 42.059 0.060 0.000 0.913 440 L HN 0.277 nan 8.230 nan 0.000 0.440 441 H N 0.714 119.800 119.070 0.026 0.000 2.421 441 H HA -0.131 4.441 4.556 0.027 0.000 0.298 441 H C 2.158 177.511 175.328 0.042 0.000 1.087 441 H CA 1.596 57.661 56.048 0.028 0.000 1.330 441 H CB 0.038 29.800 29.762 0.001 0.000 1.388 441 H HN 0.189 nan 8.280 nan 0.000 0.526 442 I N 0.381 120.994 120.570 0.071 0.000 2.076 442 I HA -0.217 3.969 4.170 0.027 0.000 0.237 442 I C -0.454 175.671 176.117 0.013 0.000 1.059 442 I CA 1.309 62.630 61.300 0.036 0.000 1.317 442 I CB -1.095 36.939 38.000 0.057 0.000 1.037 442 I HN 0.309 nan 8.210 nan 0.000 0.398 443 P HA -0.138 nan 4.420 nan 0.000 0.216 443 P C 1.478 178.816 177.300 0.064 0.000 1.153 443 P CA 1.775 64.897 63.100 0.036 0.000 0.848 443 P CB -0.086 31.621 31.700 0.012 0.000 0.787 444 A N -0.810 122.034 122.820 0.040 0.000 1.948 444 A HA -0.215 4.121 4.320 0.027 0.000 0.220 444 A C 2.176 179.820 177.584 0.101 0.000 1.177 444 A CA 1.921 54.020 52.037 0.104 0.000 0.636 444 A CB -1.370 17.665 19.000 0.058 0.000 0.815 444 A HN 0.071 nan 8.150 nan 0.000 0.449 445 M N -1.462 118.085 119.600 -0.088 0.000 2.334 445 M HA 0.064 4.560 4.480 0.027 0.000 0.266 445 M C 1.653 177.976 176.300 0.038 0.000 1.082 445 M CA 0.883 56.118 55.300 -0.108 0.000 1.141 445 M CB -0.795 31.636 32.600 -0.282 0.000 1.380 445 M HN 0.188 nan 8.290 nan 0.000 0.440 446 R N -1.548 118.999 120.500 0.079 0.000 2.339 446 R HA -0.134 4.223 4.340 0.027 0.000 0.199 446 R C 1.565 177.989 176.300 0.206 0.000 1.018 446 R CA 0.516 56.687 56.100 0.117 0.000 1.036 446 R CB -0.806 29.555 30.300 0.101 0.000 0.899 446 R HN 0.499 nan 8.270 nan 0.000 0.473 447 W N -0.579 120.739 121.300 0.031 0.000 2.678 447 W HA 0.026 4.703 4.660 0.027 0.000 0.282 447 W C 1.579 178.157 176.519 0.099 0.000 1.137 447 W CA 0.152 57.533 57.345 0.059 0.000 1.515 447 W CB -0.337 29.161 29.460 0.064 0.000 1.101 447 W HN -0.238 nan 8.180 nan 0.000 0.564 448 V N 2.120 122.059 119.914 0.041 0.000 2.688 448 V HA -0.272 3.865 4.120 0.027 0.000 0.256 448 V C 2.298 178.392 176.094 -0.001 0.000 1.084 448 V CA 2.005 64.294 62.300 -0.019 0.000 1.103 448 V CB -1.658 30.260 31.823 0.159 0.000 0.688 448 V HN 0.306 nan 8.190 nan 0.000 0.480 449 A N -0.990 121.843 122.820 0.021 0.000 2.168 449 A HA -0.091 4.246 4.320 0.027 0.000 0.215 449 A C 2.197 179.760 177.584 -0.035 0.000 1.152 449 A CA 0.924 52.970 52.037 0.016 0.000 0.716 449 A CB -0.299 18.722 19.000 0.036 0.000 0.794 449 A HN 0.517 nan 8.150 nan 0.000 0.465 450 K N -1.064 119.288 120.400 -0.081 0.000 2.418 450 K HA 0.016 4.352 4.320 0.027 0.000 0.195 450 K C 1.084 177.565 176.600 -0.197 0.000 1.035 450 K CA 1.274 57.501 56.287 -0.101 0.000 1.003 450 K CB 0.149 32.603 32.500 -0.076 0.000 0.793 450 K HN 0.426 nan 8.250 nan 0.000 0.494 451 T N -0.473 113.893 114.554 -0.313 0.000 3.026 451 T HA 0.195 4.562 4.350 0.027 0.000 0.245 451 T C -0.024 174.224 174.700 -0.753 0.000 1.004 451 T CA 0.305 62.060 62.100 -0.575 0.000 1.069 451 T CB 0.265 68.649 68.868 -0.806 0.000 1.005 451 T HN -0.100 nan 8.240 nan 0.000 0.472 452 F N 1.557 121.365 119.950 -0.236 0.000 2.577 452 F HA 0.541 5.085 4.527 0.027 0.000 0.318 452 F C -2.590 173.088 175.800 -0.205 0.000 1.065 452 F CA -2.713 55.130 58.000 -0.262 0.000 0.929 452 F CB 1.664 40.463 39.000 -0.336 0.000 1.237 452 F HN -0.191 nan 8.300 nan 0.000 0.468 453 P HA 0.328 nan 4.420 nan 0.000 0.286 453 P C 0.049 177.261 177.300 -0.145 0.000 1.261 453 P CA -0.399 62.664 63.100 -0.062 0.000 0.821 453 P CB 1.359 33.017 31.700 -0.069 0.000 1.013 454 L N 0.164 121.278 121.223 -0.181 0.000 2.554 454 L HA 0.246 4.602 4.340 0.027 0.000 0.225 454 L C 0.164 176.538 176.870 -0.827 0.000 1.104 454 L CA 0.594 55.148 54.840 -0.477 0.000 0.866 454 L CB -0.197 41.496 42.059 -0.610 0.000 1.047 454 L HN 0.311 nan 8.230 nan 0.000 0.468 455 F N -1.316 118.594 119.950 -0.067 0.000 2.640 455 F HA 0.531 5.074 4.527 0.026 0.000 0.324 455 F C 0.229 175.960 175.800 -0.115 0.000 1.077 455 F CA -0.889 57.066 58.000 -0.076 0.000 0.965 455 F CB 1.883 40.859 39.000 -0.040 0.000 1.351 455 F HN -0.311 nan 8.300 nan 0.000 0.487 456 S N -0.822 114.930 115.700 0.088 0.000 2.556 456 S HA 0.367 4.854 4.470 0.027 0.000 0.271 456 S C -0.099 174.499 174.600 -0.002 0.000 1.135 456 S CA -0.738 57.455 58.200 -0.012 0.000 0.858 456 S CB 1.749 64.886 63.200 -0.104 0.000 1.114 456 S HN 0.721 nan 8.310 nan 0.000 0.468 457 E N 1.514 121.698 120.200 -0.027 0.000 2.150 457 E HA -0.075 4.291 4.350 0.027 0.000 0.193 457 E C 1.965 178.529 176.600 -0.061 0.000 0.985 457 E CA 1.197 57.575 56.400 -0.037 0.000 0.814 457 E CB -0.277 29.395 29.700 -0.046 0.000 0.752 457 E HN 0.798 nan 8.360 nan 0.000 0.466 458 A N 2.030 124.792 122.820 -0.096 0.000 2.248 458 A HA -0.169 4.167 4.320 0.027 0.000 0.210 458 A C 1.861 179.407 177.584 -0.063 0.000 1.174 458 A CA 1.029 52.955 52.037 -0.185 0.000 0.750 458 A CB -0.636 18.113 19.000 -0.419 0.000 0.780 458 A HN 0.368 nan 8.150 nan 0.000 0.478 459 E N 0.453 120.640 120.200 -0.021 0.000 2.515 459 E HA -0.109 4.258 4.350 0.027 0.000 0.201 459 E C 1.361 177.968 176.600 0.012 0.000 1.071 459 E CA 1.141 57.539 56.400 -0.003 0.000 0.880 459 E CB -0.337 29.367 29.700 0.007 0.000 0.828 459 E HN 0.576 nan 8.360 nan 0.000 0.540 460 S N 0.558 116.262 115.700 0.007 0.000 2.496 460 S HA 0.063 4.549 4.470 0.027 0.000 0.224 460 S C 1.655 176.285 174.600 0.050 0.000 0.996 460 S CA -0.201 58.015 58.200 0.027 0.000 0.927 460 S CB -0.083 63.120 63.200 0.006 0.000 0.774 460 S HN 0.262 nan 8.310 nan 0.000 0.524 461 R N 1.393 121.927 120.500 0.057 0.000 2.313 461 R HA 0.240 4.597 4.340 0.027 0.000 0.199 461 R C 0.974 177.416 176.300 0.236 0.000 0.958 461 R CA 0.062 56.229 56.100 0.111 0.000 1.047 461 R CB -0.407 29.954 30.300 0.102 0.000 0.955 461 R HN 0.312 nan 8.270 nan 0.000 0.481 462 N N 1.685 120.498 118.700 0.188 0.000 2.094 462 N HA -0.173 4.583 4.740 0.027 0.000 0.191 462 N C 1.388 177.085 175.510 0.311 0.000 1.023 462 N CA 1.280 54.447 53.050 0.196 0.000 0.857 462 N CB 0.030 38.518 38.487 0.003 0.000 1.013 462 N HN 0.266 nan 8.380 nan 0.000 0.426 463 E N 0.457 120.816 120.200 0.265 0.000 2.358 463 E HA -0.065 4.301 4.350 0.027 0.000 0.195 463 E C 0.854 177.558 176.600 0.175 0.000 1.010 463 E CA 0.329 56.886 56.400 0.261 0.000 0.856 463 E CB -0.083 29.762 29.700 0.243 0.000 0.795 463 E HN 0.336 nan 8.360 nan 0.000 0.504 464 D N 0.298 120.776 120.400 0.129 0.000 2.123 464 D HA -0.164 4.492 4.640 0.027 0.000 0.196 464 D C 1.642 177.906 176.300 -0.060 0.000 0.992 464 D CA 1.012 55.012 54.000 0.001 0.000 0.833 464 D CB -0.354 40.391 40.800 -0.091 0.000 0.954 464 D HN 0.293 nan 8.370 nan 0.000 0.455 465 Y N 0.130 120.433 120.300 0.004 0.000 2.352 465 Y HA -0.032 4.535 4.550 0.028 0.000 0.292 465 Y C 2.260 178.115 175.900 -0.076 0.000 1.136 465 Y CA 0.705 58.783 58.100 -0.037 0.000 1.227 465 Y CB -0.028 38.413 38.460 -0.030 0.000 0.991 465 Y HN -0.006 nan 8.280 nan 0.000 0.545 466 L N -0.947 120.301 121.223 0.042 0.000 2.433 466 L HA 0.125 4.481 4.340 0.027 0.000 0.200 466 L C 1.243 178.007 176.870 -0.177 0.000 1.059 466 L CA -0.124 54.578 54.840 -0.229 0.000 0.835 466 L CB -0.193 41.505 42.059 -0.602 0.000 1.076 466 L HN -0.050 nan 8.230 nan 0.000 0.481 467 R N 2.387 122.905 120.500 0.031 0.000 2.774 467 R HA 0.185 4.541 4.340 0.027 0.000 0.269 467 R C -2.377 173.977 176.300 0.090 0.000 1.068 467 R CA -1.269 54.933 56.100 0.170 0.000 1.180 467 R CB -0.739 29.677 30.300 0.193 0.000 1.077 467 R HN -0.113 nan 8.270 nan 0.000 0.513 468 P HA 0.031 nan 4.420 nan 0.000 0.268 468 P C -0.440 176.883 177.300 0.039 0.000 1.205 468 P CA 0.299 63.439 63.100 0.066 0.000 0.771 468 P CB 0.547 32.292 31.700 0.074 0.000 0.858 469 I N 1.680 122.263 120.570 0.022 0.000 2.392 469 I HA 0.609 4.796 4.170 0.027 0.000 0.295 469 I C 1.044 177.167 176.117 0.010 0.000 0.985 469 I CA 0.333 61.638 61.300 0.007 0.000 1.221 469 I CB 1.663 39.657 38.000 -0.009 0.000 1.366 469 I HN 0.603 nan 8.210 nan 0.000 0.467 470 G N 4.381 113.185 108.800 0.007 0.000 2.441 470 G HA2 0.727 4.703 3.960 0.027 0.000 0.225 470 G HA3 0.727 4.703 3.960 0.027 0.000 0.225 470 G C -2.714 172.190 174.900 0.006 0.000 1.200 470 G CA 0.431 45.535 45.100 0.008 0.000 0.947 470 G HN 0.828 nan 8.290 nan 0.000 0.484 471 P HA 0.000 nan 4.420 nan 0.000 0.216 471 P CA 0.000 nan 63.100 nan 0.000 0.800 471 P CB 0.000 nan 31.700 nan 0.000 0.726