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 1vsz_1_J DATA FIRST_RESID 5 DATA SEQUENCE SMMPQWSYMH ISGQDASEYL SPGLVQFARA TETYFSLNNK FRNPTVAPTH DATA SEQUENCE DVTTDRSQRL TLRFIPVDRE DTAYSYKARF TLAVGDNRVL DMASTYFDIR DATA SEQUENCE GVLDRGPTFK PYSGTAYNAL APKGAPNPCE WDXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XTHVFGQAPY SGINITKEGI QIGVEGQTPK YADKTFQPEP DATA SEQUENCE QIGESQWYET EINHAAGRVL KKTTPMKPCY GSYAKPTNEN GGQGILVKQQ DATA SEQUENCE NGKLESQVEM QFFSTTXXXX XXXXNLTPKV VLYSEDVDIE TPDTHISYMP DATA SEQUENCE TIKEGNSREL MGQQSMPNRP NYIAFRDNFI GLMYYNSTGN MGVLAGQASQ DATA SEQUENCE LNAVVDLQDR NTELSYQLLL DSIGDRTRYF SMWNQAVDSY DPDVRIIENH DATA SEQUENCE GTEDELPNYC FPLGGVINTE TLTKVKPKTG QENGWEKDAX XFSDKNEIRV DATA SEQUENCE GNNFAMEINL NANLWRNFLY SNIALYLPDK LKYSPSNVKI SDNPNTYDYM DATA SEQUENCE NKRVVAPGLV DCYINLGARW SLDYMDNVNP FNHHRNAGLR YRSMLLGNGR DATA SEQUENCE YVPFHIQVPQ KFFAIKNLLL LPGSYTYEWN FRKDVNMVLQ SSLGNDLRVD DATA SEQUENCE GASIKFDSIC LYATFFPMAH NTASTLEAML RNDTNDQSFN DYLSAANMLY DATA SEQUENCE PIPANATNVP ISIPSRNWAA FRGWAFTRLK TKETPSLGSG YDPYYTYSGS DATA SEQUENCE IPYLDGTFYL NHTFKKVAIT FDSSVSWPGN DRLLTPNEFE IKRSVDGEGY DATA SEQUENCE NVAQCNMTKD WFLVQMLANY NIGYQGFYIP ESYKDRMYSF FRNFQPMSRQ DATA SEQUENCE VVDDTKYKDY QQVGILHQHN NSGFVGYLAP TMREGQAYPA NFPYPLIGKT DATA SEQUENCE AVDSITQKKF LCDRTLWRIP FSSNFMSMGA LTDLGQNLLY ANSAHALDMT DATA SEQUENCE FEVDPMDEPT LLYVLFEVFD VVRVHRPHRG VIETVYLRTP FSAG 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.413 174.600 -0.311 0.000 1.055 5 S CA 0.000 58.195 58.200 -0.009 0.000 1.107 5 S CB 0.000 63.387 63.200 0.312 0.000 0.593 6 M N -0.149 119.238 119.600 -0.355 0.000 2.367 6 M HA 0.730 5.210 4.480 -0.000 0.000 0.339 6 M C -0.628 175.105 176.300 -0.945 0.000 1.177 6 M CA -0.289 54.735 55.300 -0.461 0.000 1.068 6 M CB 0.478 32.943 32.600 -0.224 0.000 1.602 6 M HN 0.681 nan 8.290 nan 0.000 0.457 7 M N 1.285 120.414 119.600 -0.785 0.000 2.404 7 M HA 0.253 4.733 4.480 -0.000 0.000 0.271 7 M C -1.556 174.608 176.300 -0.227 0.000 1.128 7 M CA -0.627 54.197 55.300 -0.793 0.000 0.982 7 M CB -0.405 31.839 32.600 -0.593 0.000 1.445 7 M HN 0.497 nan 8.290 nan 0.000 0.495 8 P HA -0.029 nan 4.420 nan 0.000 0.242 8 P C -0.300 177.013 177.300 0.022 0.000 1.197 8 P CA 0.958 64.015 63.100 -0.073 0.000 0.765 8 P CB 0.249 31.889 31.700 -0.100 0.000 0.936 9 Q N -5.363 114.552 119.800 0.191 0.000 1.882 9 Q HA 0.135 4.475 4.340 -0.000 0.000 0.188 9 Q C 0.458 176.697 176.000 0.398 0.000 0.795 9 Q CA -0.262 55.749 55.803 0.346 0.000 0.932 9 Q CB -1.079 27.849 28.738 0.318 0.000 1.239 9 Q HN 0.030 nan 8.270 nan 0.000 0.406 10 W N 2.134 123.495 121.300 0.101 0.000 2.484 10 W HA -0.018 4.642 4.660 -0.000 0.000 0.320 10 W C 2.315 178.898 176.519 0.108 0.000 1.159 10 W CA 1.841 59.237 57.345 0.085 0.000 1.352 10 W CB -1.062 28.433 29.460 0.060 0.000 1.185 10 W HN 0.235 nan 8.180 nan 0.000 0.470 11 S N -0.111 115.820 115.700 0.384 0.000 2.392 11 S HA -0.396 4.074 4.470 -0.000 0.000 0.225 11 S C 1.814 176.520 174.600 0.176 0.000 1.041 11 S CA 1.642 59.989 58.200 0.244 0.000 1.100 11 S CB -1.841 61.481 63.200 0.203 0.000 1.029 11 S HN 0.245 nan 8.310 nan 0.000 0.424 12 Y N 2.055 122.367 120.300 0.018 0.000 2.144 12 Y HA -0.176 4.374 4.550 -0.000 0.000 0.277 12 Y C 1.579 177.476 175.900 -0.006 0.000 1.229 12 Y CA 1.483 59.558 58.100 -0.042 0.000 1.144 12 Y CB -0.361 38.108 38.460 0.014 0.000 0.953 12 Y HN 0.228 nan 8.280 nan 0.000 0.515 13 M N -0.659 119.039 119.600 0.164 0.000 2.972 13 M HA 0.188 4.668 4.480 -0.000 0.000 0.323 13 M C -0.215 176.222 176.300 0.228 0.000 1.213 13 M CA -0.142 55.216 55.300 0.097 0.000 0.935 13 M CB -1.198 31.422 32.600 0.032 0.000 1.289 13 M HN 0.332 nan 8.290 nan 0.000 0.525 14 H N -2.673 116.422 119.070 0.042 0.000 3.898 14 H HA -0.216 4.340 4.556 -0.000 0.000 0.171 14 H C 0.971 176.317 175.328 0.030 0.000 0.920 14 H CA 1.484 57.590 56.048 0.096 0.000 1.238 14 H CB -1.830 27.978 29.762 0.075 0.000 0.997 14 H HN 0.455 nan 8.280 nan 0.000 0.380 15 I N -0.765 119.845 120.570 0.067 0.000 3.252 15 I HA -0.043 4.127 4.170 -0.000 0.000 0.151 15 I C 1.197 177.266 176.117 -0.081 0.000 1.031 15 I CA 1.240 62.459 61.300 -0.136 0.000 1.364 15 I CB -0.192 37.522 38.000 -0.476 0.000 1.211 15 I HN 0.175 nan 8.210 nan 0.000 0.436 16 S N -0.989 114.657 115.700 -0.091 0.000 2.513 16 S HA 0.630 5.099 4.470 -0.000 0.000 0.299 16 S C 0.123 174.864 174.600 0.235 0.000 1.087 16 S CA 0.046 58.286 58.200 0.067 0.000 1.012 16 S CB 1.410 64.632 63.200 0.036 0.000 1.044 16 S HN 0.802 nan 8.310 nan 0.000 0.485 17 G N 2.696 111.606 108.800 0.182 0.000 3.345 17 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.199 17 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.199 17 G C -0.461 174.538 174.900 0.164 0.000 1.057 17 G CA -0.311 44.900 45.100 0.185 0.000 0.865 17 G HN 0.641 nan 8.290 nan 0.000 0.449 18 Q N 0.848 120.764 119.800 0.193 0.000 2.487 18 Q HA 0.330 4.670 4.340 -0.000 0.000 0.234 18 Q C -0.667 175.438 176.000 0.174 0.000 0.828 18 Q CA -0.496 55.434 55.803 0.212 0.000 0.907 18 Q CB 1.976 30.982 28.738 0.447 0.000 1.462 18 Q HN 0.290 nan 8.270 nan 0.000 0.442 19 D N 0.935 121.343 120.400 0.014 0.000 1.319 19 D HA -0.140 4.500 4.640 -0.000 0.000 0.277 19 D C 1.203 177.400 176.300 -0.171 0.000 1.308 19 D CA 1.895 55.862 54.000 -0.055 0.000 1.078 19 D CB 0.430 41.187 40.800 -0.072 0.000 2.027 19 D HN 0.568 nan 8.370 nan 0.000 0.622 20 A N -0.660 122.032 122.820 -0.214 0.000 1.972 20 A HA 0.013 4.333 4.320 -0.000 0.000 0.219 20 A C 2.090 179.393 177.584 -0.469 0.000 1.467 20 A CA 1.408 53.285 52.037 -0.266 0.000 0.631 20 A CB -1.111 17.825 19.000 -0.107 0.000 1.143 20 A HN 0.411 nan 8.150 nan 0.000 0.502 21 S N 0.606 116.118 115.700 -0.314 0.000 2.441 21 S HA -0.132 4.338 4.470 -0.000 0.000 0.242 21 S C 0.564 174.919 174.600 -0.409 0.000 1.018 21 S CA 1.269 59.282 58.200 -0.313 0.000 0.988 21 S CB -0.566 62.523 63.200 -0.186 0.000 0.778 21 S HN 0.539 nan 8.310 nan 0.000 0.498 22 E N 0.803 120.726 120.200 -0.462 0.000 2.392 22 E HA 0.350 4.700 4.350 -0.000 0.000 0.259 22 E C 0.578 176.725 176.600 -0.755 0.000 1.108 22 E CA 0.164 56.339 56.400 -0.375 0.000 0.916 22 E CB 0.001 29.603 29.700 -0.162 0.000 0.989 22 E HN 0.482 nan 8.360 nan 0.000 0.432 23 Y N -1.049 119.232 120.300 -0.032 0.000 4.138 23 Y HA -0.367 4.183 4.550 -0.000 0.000 0.347 23 Y C -0.229 175.648 175.900 -0.039 0.000 1.116 23 Y CA 0.520 58.610 58.100 -0.017 0.000 2.132 23 Y CB -1.594 36.876 38.460 0.016 0.000 0.967 23 Y HN 0.435 nan 8.280 nan 0.000 0.470 24 L N 3.170 124.271 121.223 -0.202 0.000 2.426 24 L HA 0.269 4.609 4.340 -0.000 0.000 0.271 24 L C 0.914 177.743 176.870 -0.067 0.000 1.169 24 L CA 0.702 55.474 54.840 -0.112 0.000 0.836 24 L CB 0.771 42.659 42.059 -0.285 0.000 1.112 24 L HN 0.533 nan 8.230 nan 0.000 0.465 25 S N 4.999 120.684 115.700 -0.026 0.000 2.589 25 S HA 0.010 4.480 4.470 -0.000 0.000 0.256 25 S C -1.845 172.730 174.600 -0.043 0.000 1.383 25 S CA -1.034 57.156 58.200 -0.017 0.000 0.983 25 S CB -0.280 62.921 63.200 0.002 0.000 0.908 25 S HN 0.565 nan 8.310 nan 0.000 0.572 26 P HA -0.000 nan 4.420 nan 0.000 0.204 26 P C 1.167 178.415 177.300 -0.086 0.000 1.012 26 P CA 0.914 63.979 63.100 -0.059 0.000 0.835 26 P CB -0.585 31.091 31.700 -0.041 0.000 0.603 27 G N -1.227 107.529 108.800 -0.073 0.000 3.106 27 G HA2 0.059 4.019 3.960 -0.000 0.000 0.230 27 G HA3 0.059 4.019 3.960 -0.000 0.000 0.230 27 G C 0.211 175.132 174.900 0.036 0.000 0.949 27 G CA 0.443 45.471 45.100 -0.121 0.000 1.827 27 G HN 0.117 nan 8.290 nan 0.000 0.573 28 L N -1.220 119.991 121.223 -0.021 0.000 2.463 28 L HA 0.148 4.488 4.340 -0.000 0.000 0.208 28 L C 2.408 179.263 176.870 -0.026 0.000 1.082 28 L CA 0.293 55.169 54.840 0.059 0.000 0.997 28 L CB -0.419 41.647 42.059 0.011 0.000 1.953 28 L HN 0.019 nan 8.230 nan 0.000 0.499 29 V N 1.166 121.021 119.914 -0.099 0.000 2.546 29 V HA -0.282 3.838 4.120 -0.000 0.000 0.254 29 V C 2.437 178.462 176.094 -0.115 0.000 1.076 29 V CA 2.366 64.587 62.300 -0.131 0.000 1.087 29 V CB -0.924 30.806 31.823 -0.154 0.000 0.674 29 V HN 0.699 nan 8.190 nan 0.000 0.470 30 Q N -1.192 118.516 119.800 -0.153 0.000 2.259 30 Q HA 0.053 4.393 4.340 -0.000 0.000 0.201 30 Q C 1.506 177.438 176.000 -0.113 0.000 0.938 30 Q CA 0.978 56.675 55.803 -0.177 0.000 0.872 30 Q CB -0.694 27.874 28.738 -0.284 0.000 0.971 30 Q HN 0.414 nan 8.270 nan 0.000 0.494 31 F N 1.551 121.473 119.950 -0.046 0.000 2.704 31 F HA 0.173 4.700 4.527 -0.000 0.000 0.297 31 F C 0.921 176.694 175.800 -0.045 0.000 1.305 31 F CA 0.168 58.146 58.000 -0.038 0.000 1.461 31 F CB -0.567 38.419 39.000 -0.023 0.000 1.115 31 F HN 0.319 nan 8.300 nan 0.000 0.580 32 A N -1.066 121.809 122.820 0.092 0.000 2.594 32 A HA 0.381 4.701 4.320 -0.000 0.000 0.287 32 A C 1.879 179.464 177.584 0.002 0.000 1.227 32 A CA -0.223 51.837 52.037 0.037 0.000 0.952 32 A CB -0.052 18.954 19.000 0.010 0.000 1.161 32 A HN 0.298 nan 8.150 nan 0.000 0.524 33 R N -1.477 119.027 120.500 0.008 0.000 2.383 33 R HA 0.341 4.681 4.340 -0.000 0.000 0.205 33 R C 1.165 177.453 176.300 -0.020 0.000 0.875 33 R CA 1.071 57.160 56.100 -0.019 0.000 1.039 33 R CB 0.463 30.742 30.300 -0.034 0.000 1.267 33 R HN 0.291 nan 8.270 nan 0.000 0.635 34 A N -0.719 122.124 122.820 0.037 0.000 2.708 34 A HA 0.296 4.616 4.320 -0.000 0.000 0.293 34 A C 0.576 178.075 177.584 -0.141 0.000 1.303 34 A CA 0.244 52.298 52.037 0.028 0.000 0.949 34 A CB 0.286 19.427 19.000 0.234 0.000 1.121 34 A HN 0.229 nan 8.150 nan 0.000 0.542 35 T N -2.357 112.040 114.554 -0.262 0.000 3.421 35 T HA 0.062 4.412 4.350 -0.000 0.000 0.277 35 T C 1.285 175.824 174.700 -0.268 0.000 0.867 35 T CA 0.507 62.379 62.100 -0.380 0.000 0.957 35 T CB -0.176 68.701 68.868 0.016 0.000 1.225 35 T HN 0.392 nan 8.240 nan 0.000 0.544 36 E N 0.907 121.042 120.200 -0.107 0.000 2.333 36 E HA -0.119 4.231 4.350 -0.000 0.000 0.198 36 E C 1.799 178.364 176.600 -0.058 0.000 1.007 36 E CA 1.469 57.851 56.400 -0.030 0.000 0.845 36 E CB 0.078 29.770 29.700 -0.013 0.000 0.766 36 E HN 0.539 nan 8.360 nan 0.000 0.507 37 T N -0.959 113.499 114.554 -0.159 0.000 3.055 37 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 37 T C 0.456 175.163 174.700 0.012 0.000 1.111 37 T CA 0.683 62.737 62.100 -0.077 0.000 1.118 37 T CB -0.002 68.831 68.868 -0.058 0.000 0.909 37 T HN 0.312 nan 8.240 nan 0.000 0.501 38 Y N -1.738 118.560 120.300 -0.003 0.000 2.813 38 Y HA 0.663 5.213 4.550 -0.000 0.000 0.269 38 Y C -0.612 175.199 175.900 -0.149 0.000 0.963 38 Y CA -2.054 55.982 58.100 -0.107 0.000 1.147 38 Y CB -0.469 37.872 38.460 -0.199 0.000 1.174 38 Y HN 0.018 nan 8.280 nan 0.000 0.606 39 F N -0.824 119.154 119.950 0.048 0.000 3.493 39 F HA 0.040 4.567 4.527 -0.000 0.000 0.377 39 F C 0.798 176.604 175.800 0.010 0.000 1.117 39 F CA -0.458 57.566 58.000 0.041 0.000 0.629 39 F CB -0.590 38.423 39.000 0.022 0.000 1.945 39 F HN 0.056 nan 8.300 nan 0.000 0.431 40 S N 2.383 118.190 115.700 0.177 0.000 3.507 40 S HA -0.165 4.305 4.470 -0.000 0.000 0.139 40 S C 0.998 175.648 174.600 0.084 0.000 0.333 40 S CA 0.364 58.622 58.200 0.097 0.000 1.411 40 S CB -1.084 62.162 63.200 0.077 0.000 0.973 40 S HN 0.285 nan 8.310 nan 0.000 0.248 41 L N 2.066 123.329 121.223 0.067 0.000 2.912 41 L HA 0.069 4.409 4.340 -0.000 0.000 0.246 41 L C 0.820 177.725 176.870 0.059 0.000 1.371 41 L CA -0.059 54.803 54.840 0.037 0.000 1.196 41 L CB -0.953 41.113 42.059 0.012 0.000 1.596 41 L HN 0.433 nan 8.230 nan 0.000 0.429 42 N N -0.082 118.652 118.700 0.057 0.000 2.313 42 N HA -0.044 4.696 4.740 -0.000 0.000 0.207 42 N C 1.294 176.849 175.510 0.075 0.000 1.141 42 N CA -0.070 53.021 53.050 0.069 0.000 0.830 42 N CB 0.072 38.588 38.487 0.048 0.000 1.008 42 N HN 0.539 nan 8.380 nan 0.000 0.481 43 N N 0.379 119.114 118.700 0.059 0.000 2.463 43 N HA -0.016 4.724 4.740 -0.000 0.000 0.183 43 N C 0.980 176.492 175.510 0.002 0.000 1.064 43 N CA 0.026 53.092 53.050 0.026 0.000 0.879 43 N CB 0.279 38.767 38.487 0.002 0.000 1.148 43 N HN -0.044 nan 8.380 nan 0.000 0.451 44 K N 1.675 122.099 120.400 0.040 0.000 1.965 44 K HA -0.075 4.245 4.320 -0.000 0.000 0.218 44 K C 0.357 176.886 176.600 -0.119 0.000 1.048 44 K CA 1.076 57.356 56.287 -0.011 0.000 0.960 44 K CB -1.031 31.602 32.500 0.222 0.000 0.732 44 K HN 0.202 nan 8.250 nan 0.000 0.444 45 F N 3.153 123.189 119.950 0.143 0.000 2.319 45 F HA 0.239 4.766 4.527 -0.000 0.000 0.356 45 F C -0.067 175.955 175.800 0.371 0.000 1.100 45 F CA -1.347 56.919 58.000 0.443 0.000 1.220 45 F CB 0.512 39.794 39.000 0.470 0.000 1.506 45 F HN -0.064 nan 8.300 nan 0.000 0.512 46 R N 0.448 121.163 120.500 0.358 0.000 2.590 46 R HA 0.030 4.370 4.340 -0.000 0.000 0.274 46 R C -0.138 176.300 176.300 0.230 0.000 1.061 46 R CA -0.520 55.714 56.100 0.223 0.000 1.081 46 R CB -0.445 29.920 30.300 0.108 0.000 0.984 46 R HN 0.393 nan 8.270 nan 0.000 0.448 47 N N 4.610 123.378 118.700 0.112 0.000 2.328 47 N HA -0.041 4.699 4.740 -0.000 0.000 0.290 47 N C -1.746 173.804 175.510 0.067 0.000 1.355 47 N CA -0.224 52.862 53.050 0.060 0.000 1.009 47 N CB 0.312 38.816 38.487 0.029 0.000 1.426 47 N HN 0.522 nan 8.380 nan 0.000 0.488 48 P HA 0.108 nan 4.420 nan 0.000 0.240 48 P C -0.488 176.825 177.300 0.021 0.000 1.854 48 P CA -0.265 62.880 63.100 0.075 0.000 1.081 48 P CB -0.248 31.556 31.700 0.174 0.000 1.646 49 T N 0.563 115.120 114.554 0.006 0.000 4.282 49 T HA 0.141 4.491 4.350 -0.000 0.000 0.231 49 T C 1.444 176.131 174.700 -0.021 0.000 1.004 49 T CA -0.183 61.912 62.100 -0.009 0.000 1.146 49 T CB -1.236 67.627 68.868 -0.009 0.000 1.285 49 T HN 0.121 nan 8.240 nan 0.000 0.971 50 V N -0.045 119.844 119.914 -0.041 0.000 4.015 50 V HA -0.059 4.061 4.120 -0.000 0.000 0.304 50 V C 0.582 176.645 176.094 -0.052 0.000 0.854 50 V CA 0.367 62.624 62.300 -0.072 0.000 1.012 50 V CB -0.960 30.781 31.823 -0.137 0.000 1.116 50 V HN 0.914 nan 8.190 nan 0.000 0.433 51 A N -0.613 122.169 122.820 -0.063 0.000 2.476 51 A HA 0.753 5.073 4.320 -0.000 0.000 0.280 51 A C -1.266 176.301 177.584 -0.029 0.000 1.081 51 A CA -1.037 50.978 52.037 -0.037 0.000 0.753 51 A CB 0.049 19.030 19.000 -0.031 0.000 1.248 51 A HN 0.996 nan 8.150 nan 0.000 0.424 52 P HA -0.058 nan 4.420 nan 0.000 0.297 52 P C 0.728 178.043 177.300 0.026 0.000 1.939 52 P CA 1.024 64.128 63.100 0.006 0.000 1.725 52 P CB 0.190 31.888 31.700 -0.005 0.000 0.377 53 T N -4.230 110.350 114.554 0.043 0.000 2.616 53 T HA 0.135 4.485 4.350 -0.000 0.000 0.208 53 T C -0.085 174.672 174.700 0.094 0.000 0.849 53 T CA -0.424 61.728 62.100 0.087 0.000 1.360 53 T CB -0.376 68.586 68.868 0.156 0.000 1.829 53 T HN 0.772 nan 8.240 nan 0.000 0.431 54 H N 1.471 120.546 119.070 0.008 0.000 2.581 54 H HA 0.415 4.971 4.556 -0.000 0.000 0.369 54 H C -0.015 175.302 175.328 -0.019 0.000 1.351 54 H CA 0.806 56.850 56.048 -0.006 0.000 1.434 54 H CB 0.601 30.366 29.762 0.006 0.000 1.558 54 H HN 0.649 nan 8.280 nan 0.000 0.608 55 D N -1.164 119.039 120.400 -0.329 0.000 2.384 55 D HA -0.213 4.427 4.640 -0.000 0.000 0.170 55 D C 1.193 177.393 176.300 -0.168 0.000 1.010 55 D CA 1.498 55.299 54.000 -0.331 0.000 1.035 55 D CB -1.481 39.036 40.800 -0.472 0.000 1.093 55 D HN 0.459 nan 8.370 nan 0.000 0.476 56 V N -1.574 118.257 119.914 -0.138 0.000 4.875 56 V HA 0.377 4.497 4.120 -0.000 0.000 0.260 56 V C 1.524 177.537 176.094 -0.135 0.000 1.090 56 V CA 0.694 62.914 62.300 -0.133 0.000 0.710 56 V CB -1.077 30.669 31.823 -0.128 0.000 1.136 56 V HN 0.175 nan 8.190 nan 0.000 0.336 57 T N 1.176 115.634 114.554 -0.160 0.000 2.816 57 T HA 0.069 4.419 4.350 -0.000 0.000 0.342 57 T C 0.384 175.014 174.700 -0.116 0.000 1.066 57 T CA 1.228 63.227 62.100 -0.168 0.000 1.130 57 T CB -0.425 68.344 68.868 -0.165 0.000 1.074 57 T HN 1.343 nan 8.240 nan 0.000 0.525 58 T N -0.664 113.824 114.554 -0.110 0.000 2.909 58 T HA 0.395 4.745 4.350 -0.000 0.000 0.289 58 T C 0.570 175.249 174.700 -0.036 0.000 1.005 58 T CA -0.390 61.660 62.100 -0.083 0.000 1.084 58 T CB 1.045 69.858 68.868 -0.092 0.000 0.975 58 T HN 0.711 nan 8.240 nan 0.000 0.509 59 D N 1.024 121.410 120.400 -0.023 0.000 2.503 59 D HA 0.179 4.819 4.640 -0.000 0.000 0.218 59 D C 0.533 176.836 176.300 0.006 0.000 1.183 59 D CA -0.521 53.478 54.000 -0.002 0.000 0.827 59 D CB 0.355 41.157 40.800 0.003 0.000 1.034 59 D HN 0.486 nan 8.370 nan 0.000 0.510 60 R N -0.300 120.201 120.500 0.002 0.000 2.527 60 R HA 0.645 4.985 4.340 -0.000 0.000 0.243 60 R C -0.174 176.145 176.300 0.032 0.000 1.206 60 R CA -0.721 55.389 56.100 0.017 0.000 1.134 60 R CB 0.419 30.730 30.300 0.018 0.000 1.347 60 R HN -0.125 nan 8.270 nan 0.000 0.580 61 S N 1.061 116.787 115.700 0.044 0.000 2.416 61 S HA 0.219 4.689 4.470 -0.000 0.000 0.287 61 S C -0.703 173.941 174.600 0.072 0.000 1.139 61 S CA -0.413 57.818 58.200 0.052 0.000 1.058 61 S CB 0.722 63.950 63.200 0.047 0.000 0.967 61 S HN 0.273 nan 8.310 nan 0.000 0.495 62 Q N 2.256 122.104 119.800 0.079 0.000 2.589 62 Q HA 0.274 4.614 4.340 -0.000 0.000 0.245 62 Q C 0.577 176.643 176.000 0.109 0.000 0.931 62 Q CA -0.441 55.428 55.803 0.111 0.000 0.730 62 Q CB 0.933 29.749 28.738 0.131 0.000 1.315 62 Q HN 0.547 nan 8.270 nan 0.000 0.469 63 R N 2.136 122.693 120.500 0.096 0.000 2.087 63 R HA -0.112 4.228 4.340 -0.000 0.000 0.122 63 R C -0.058 176.308 176.300 0.110 0.000 0.504 63 R CA 1.812 57.962 56.100 0.084 0.000 1.601 63 R CB -0.229 30.110 30.300 0.064 0.000 0.464 63 R HN 0.686 nan 8.270 nan 0.000 0.674 64 L N -3.675 117.617 121.223 0.116 0.000 3.365 64 L HA 0.130 4.470 4.340 -0.000 0.000 0.222 64 L C 0.635 177.602 176.870 0.161 0.000 1.790 64 L CA -0.066 54.866 54.840 0.154 0.000 1.932 64 L CB 0.519 42.641 42.059 0.104 0.000 1.872 64 L HN 0.547 nan 8.230 nan 0.000 0.582 65 T N 0.149 114.768 114.554 0.110 0.000 2.898 65 T HA 0.790 5.140 4.350 -0.000 0.000 0.283 65 T C -1.568 173.128 174.700 -0.007 0.000 1.059 65 T CA -0.349 61.793 62.100 0.071 0.000 0.958 65 T CB 1.107 70.035 68.868 0.100 0.000 1.594 65 T HN 0.325 nan 8.240 nan 0.000 0.598 66 L N -0.412 120.800 121.223 -0.018 0.000 2.700 66 L HA 0.573 4.913 4.340 -0.000 0.000 0.255 66 L C -0.583 176.259 176.870 -0.048 0.000 0.933 66 L CA -1.459 53.315 54.840 -0.110 0.000 0.920 66 L CB 1.367 43.233 42.059 -0.323 0.000 1.472 66 L HN 0.711 nan 8.230 nan 0.000 0.426 67 R N 0.857 121.355 120.500 -0.004 0.000 2.527 67 R HA 0.916 5.256 4.340 -0.000 0.000 0.243 67 R C -0.988 175.315 176.300 0.006 0.000 1.206 67 R CA -0.605 55.580 56.100 0.142 0.000 1.134 67 R CB 0.913 31.442 30.300 0.381 0.000 1.347 67 R HN 0.569 nan 8.270 nan 0.000 0.580 68 F N -1.436 118.617 119.950 0.172 0.000 2.978 68 F HA 0.356 4.883 4.527 -0.000 0.000 0.324 68 F C -1.219 174.735 175.800 0.258 0.000 1.157 68 F CA -1.482 56.657 58.000 0.231 0.000 0.879 68 F CB 1.757 40.920 39.000 0.272 0.000 1.364 68 F HN 0.298 nan 8.300 nan 0.000 0.465 69 I N 2.096 122.898 120.570 0.387 0.000 2.406 69 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 69 I C -2.480 173.428 176.117 -0.348 0.000 0.999 69 I CA -2.148 59.153 61.300 0.001 0.000 1.124 69 I CB 0.513 38.540 38.000 0.044 0.000 1.289 69 I HN 0.230 nan 8.210 nan 0.000 0.441 70 P HA 0.202 nan 4.420 nan 0.000 0.339 70 P C 0.685 177.808 177.300 -0.295 0.000 1.413 70 P CA 0.094 62.762 63.100 -0.721 0.000 0.833 70 P CB 1.194 32.500 31.700 -0.656 0.000 2.004 71 V N -2.185 117.608 119.914 -0.202 0.000 3.264 71 V HA 0.215 4.335 4.120 -0.000 0.000 0.217 71 V C 0.541 176.575 176.094 -0.099 0.000 1.236 71 V CA 0.980 63.207 62.300 -0.122 0.000 1.287 71 V CB -0.587 31.180 31.823 -0.093 0.000 1.241 71 V HN 0.293 nan 8.190 nan 0.000 0.518 72 D N -0.271 120.064 120.400 -0.108 0.000 2.384 72 D HA 0.632 5.272 4.640 -0.000 0.000 0.250 72 D C -0.476 175.745 176.300 -0.132 0.000 1.029 72 D CA -0.401 53.533 54.000 -0.110 0.000 0.990 72 D CB 2.057 42.782 40.800 -0.125 0.000 1.175 72 D HN 0.040 nan 8.370 nan 0.000 0.532 73 R N 0.389 120.813 120.500 -0.128 0.000 2.621 73 R HA 0.361 4.701 4.340 -0.000 0.000 0.292 73 R C -1.084 175.099 176.300 -0.195 0.000 0.969 73 R CA -0.492 55.524 56.100 -0.139 0.000 0.887 73 R CB 1.199 31.493 30.300 -0.010 0.000 1.180 73 R HN 0.219 nan 8.270 nan 0.000 0.450 74 E N 2.636 122.626 120.200 -0.350 0.000 2.222 74 E HA 0.190 4.540 4.350 -0.000 0.000 0.267 74 E C -0.920 175.678 176.600 -0.005 0.000 0.884 74 E CA -0.644 55.599 56.400 -0.262 0.000 0.764 74 E CB 2.087 31.499 29.700 -0.481 0.000 1.169 74 E HN 0.534 nan 8.360 nan 0.000 0.413 75 D N 1.855 122.280 120.400 0.043 0.000 2.696 75 D HA 0.067 4.707 4.640 -0.000 0.000 0.269 75 D C 0.307 176.668 176.300 0.101 0.000 1.319 75 D CA 0.009 54.077 54.000 0.114 0.000 0.826 75 D CB 0.584 41.439 40.800 0.091 0.000 1.086 75 D HN 0.446 nan 8.370 nan 0.000 0.481 76 T N -2.422 112.181 114.554 0.081 0.000 2.718 76 T HA 0.324 4.674 4.350 -0.000 0.000 0.377 76 T C 1.386 176.180 174.700 0.158 0.000 1.072 76 T CA 0.134 62.287 62.100 0.088 0.000 1.065 76 T CB 0.769 69.644 68.868 0.012 0.000 1.194 76 T HN -0.033 nan 8.240 nan 0.000 0.517 77 A N 0.083 123.048 122.820 0.243 0.000 2.051 77 A HA 0.278 4.598 4.320 -0.000 0.000 0.218 77 A C 2.127 179.910 177.584 0.332 0.000 1.575 77 A CA 0.390 52.640 52.037 0.355 0.000 0.700 77 A CB -0.810 18.471 19.000 0.467 0.000 1.245 77 A HN 0.980 nan 8.150 nan 0.000 0.536 78 Y N -0.169 120.112 120.300 -0.032 0.000 2.448 78 Y HA 0.285 4.835 4.550 -0.000 0.000 0.289 78 Y C 1.383 177.257 175.900 -0.043 0.000 1.114 78 Y CA 0.180 58.125 58.100 -0.259 0.000 1.235 78 Y CB -0.237 38.072 38.460 -0.252 0.000 1.045 78 Y HN 0.361 nan 8.280 nan 0.000 0.554 79 S N -0.514 115.105 115.700 -0.135 0.000 2.921 79 S HA 0.632 5.102 4.470 -0.000 0.000 0.315 79 S C -1.561 173.092 174.600 0.089 0.000 1.087 79 S CA -0.622 57.577 58.200 -0.001 0.000 0.877 79 S CB 1.977 65.048 63.200 -0.216 0.000 1.340 79 S HN 0.389 nan 8.310 nan 0.000 0.622 80 Y N 0.034 120.293 120.300 -0.069 0.000 2.452 80 Y HA 0.513 5.063 4.550 -0.000 0.000 0.323 80 Y C -2.138 173.726 175.900 -0.060 0.000 1.244 80 Y CA -0.737 57.333 58.100 -0.050 0.000 1.158 80 Y CB 0.565 39.013 38.460 -0.022 0.000 1.332 80 Y HN 0.990 nan 8.280 nan 0.000 0.456 81 K N 4.009 124.186 120.400 -0.372 0.000 2.480 81 K HA 1.030 5.350 4.320 -0.000 0.000 0.258 81 K C -1.728 174.730 176.600 -0.238 0.000 0.990 81 K CA -1.207 54.954 56.287 -0.210 0.000 0.857 81 K CB 2.707 35.056 32.500 -0.252 0.000 1.384 81 K HN 1.003 nan 8.250 nan 0.000 0.446 82 A N 1.610 124.406 122.820 -0.040 0.000 2.528 82 A HA 0.323 4.643 4.320 -0.000 0.000 0.306 82 A C -1.437 176.153 177.584 0.009 0.000 1.042 82 A CA -1.064 50.960 52.037 -0.022 0.000 0.950 82 A CB 0.911 19.951 19.000 0.067 0.000 1.374 82 A HN 0.680 nan 8.150 nan 0.000 0.387 83 R N 1.443 121.913 120.500 -0.050 0.000 2.536 83 R HA 0.789 5.129 4.340 -0.000 0.000 0.279 83 R C -1.530 174.807 176.300 0.060 0.000 1.001 83 R CA -0.495 55.626 56.100 0.035 0.000 1.027 83 R CB 0.308 30.610 30.300 0.002 0.000 1.096 83 R HN 0.348 nan 8.270 nan 0.000 0.502 84 F N -0.142 119.931 119.950 0.206 0.000 2.422 84 F HA 0.282 4.809 4.527 -0.000 0.000 0.333 84 F C 0.590 176.449 175.800 0.097 0.000 1.095 84 F CA -0.531 57.587 58.000 0.195 0.000 1.038 84 F CB 2.018 41.231 39.000 0.356 0.000 1.156 84 F HN 0.388 nan 8.300 nan 0.000 0.483 85 T N 5.395 120.021 114.554 0.120 0.000 2.855 85 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 85 T C 0.159 174.873 174.700 0.022 0.000 0.941 85 T CA -0.193 61.920 62.100 0.021 0.000 1.030 85 T CB -0.304 68.508 68.868 -0.094 0.000 0.935 85 T HN 0.111 nan 8.240 nan 0.000 0.564 86 L N 1.935 123.215 121.223 0.095 0.000 2.805 86 L HA 0.995 5.335 4.340 -0.000 0.000 0.242 86 L C 0.920 177.846 176.870 0.093 0.000 1.180 86 L CA -0.414 54.480 54.840 0.090 0.000 1.001 86 L CB 0.343 42.459 42.059 0.094 0.000 1.864 86 L HN 0.689 nan 8.230 nan 0.000 0.551 87 A N -1.843 121.085 122.820 0.181 0.000 3.521 87 A HA 0.486 4.806 4.320 -0.000 0.000 0.059 87 A C -1.238 176.525 177.584 0.298 0.000 1.314 87 A CA 0.324 52.468 52.037 0.178 0.000 1.325 87 A CB -0.424 18.541 19.000 -0.059 0.000 1.069 87 A HN 0.934 nan 8.150 nan 0.000 0.490 88 V N -0.321 119.652 119.914 0.099 0.000 2.402 88 V HA 0.458 4.578 4.120 -0.000 0.000 0.262 88 V C 0.072 176.180 176.094 0.022 0.000 1.828 88 V CA -0.201 62.151 62.300 0.087 0.000 0.730 88 V CB 0.560 32.499 31.823 0.194 0.000 1.288 88 V HN 2.287 nan 8.190 nan 0.000 0.484 89 G N 2.014 110.810 108.800 -0.006 0.000 2.491 89 G HA2 0.602 4.562 3.960 -0.000 0.000 0.327 89 G HA3 0.602 4.562 3.960 -0.000 0.000 0.327 89 G C -0.526 174.371 174.900 -0.006 0.000 1.189 89 G CA -0.530 44.558 45.100 -0.021 0.000 0.956 89 G HN 0.782 nan 8.290 nan 0.000 0.491 90 D N -0.045 120.336 120.400 -0.031 0.000 2.793 90 D HA -0.078 4.562 4.640 -0.000 0.000 0.230 90 D C 0.808 177.095 176.300 -0.022 0.000 1.139 90 D CA 1.443 55.420 54.000 -0.038 0.000 0.838 90 D CB -0.266 40.485 40.800 -0.081 0.000 1.149 90 D HN 0.544 nan 8.370 nan 0.000 0.526 91 N N 0.972 119.696 118.700 0.041 0.000 2.776 91 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 91 N C -0.662 174.986 175.510 0.230 0.000 1.111 91 N CA 0.213 53.334 53.050 0.118 0.000 0.711 91 N CB -0.600 37.957 38.487 0.117 0.000 1.065 91 N HN 0.315 nan 8.380 nan 0.000 0.556 92 R N 0.174 120.800 120.500 0.210 0.000 2.621 92 R HA 0.745 5.085 4.340 -0.000 0.000 0.292 92 R C 0.172 176.628 176.300 0.260 0.000 0.969 92 R CA -0.686 55.595 56.100 0.301 0.000 0.887 92 R CB 1.963 32.280 30.300 0.028 0.000 1.180 92 R HN 0.107 nan 8.270 nan 0.000 0.450 93 V N -0.146 120.065 119.914 0.494 0.000 4.821 93 V HA 0.793 4.913 4.120 -0.000 0.000 0.304 93 V C -1.257 175.071 176.094 0.389 0.000 1.525 93 V CA -0.886 61.622 62.300 0.346 0.000 0.847 93 V CB 0.923 32.912 31.823 0.278 0.000 1.269 93 V HN 0.606 nan 8.190 nan 0.000 0.454 94 L N -0.653 120.748 121.223 0.297 0.000 4.324 94 L HA 0.407 4.747 4.340 -0.000 0.000 0.217 94 L C -2.023 174.913 176.870 0.110 0.000 1.037 94 L CA -0.153 54.828 54.840 0.235 0.000 0.985 94 L CB 0.944 43.104 42.059 0.167 0.000 1.440 94 L HN 0.843 nan 8.230 nan 0.000 0.358 95 D N 3.905 124.348 120.400 0.072 0.000 2.313 95 D HA 0.320 4.960 4.640 -0.000 0.000 0.239 95 D C 0.227 176.525 176.300 -0.002 0.000 1.142 95 D CA -0.418 53.601 54.000 0.032 0.000 0.847 95 D CB 1.493 42.304 40.800 0.018 0.000 1.082 95 D HN 0.757 nan 8.370 nan 0.000 0.480 96 M N 3.273 122.868 119.600 -0.008 0.000 3.752 96 M HA -0.004 4.476 4.480 -0.000 0.000 0.169 96 M C 0.508 176.777 176.300 -0.051 0.000 1.684 96 M CA 0.316 55.596 55.300 -0.033 0.000 1.778 96 M CB -0.318 32.270 32.600 -0.020 0.000 1.250 96 M HN 0.482 nan 8.290 nan 0.000 0.510 97 A N -1.680 121.082 122.820 -0.098 0.000 2.644 97 A HA 0.201 4.521 4.320 -0.000 0.000 0.193 97 A C 1.173 178.580 177.584 -0.295 0.000 1.464 97 A CA 0.168 52.105 52.037 -0.167 0.000 1.095 97 A CB 0.145 19.077 19.000 -0.113 0.000 1.405 97 A HN 0.461 nan 8.150 nan 0.000 0.558 98 S N 0.533 116.120 115.700 -0.189 0.000 2.601 98 S HA 0.237 4.707 4.470 -0.000 0.000 0.244 98 S C 0.438 175.001 174.600 -0.061 0.000 1.001 98 S CA 0.459 58.572 58.200 -0.145 0.000 0.984 98 S CB -0.634 62.543 63.200 -0.038 0.000 0.842 98 S HN 0.748 nan 8.310 nan 0.000 0.474 99 T N 0.184 114.660 114.554 -0.130 0.000 3.042 99 T HA 0.677 5.027 4.350 -0.000 0.000 0.356 99 T C -0.595 173.985 174.700 -0.199 0.000 1.233 99 T CA -0.734 61.278 62.100 -0.148 0.000 1.038 99 T CB -0.349 68.410 68.868 -0.182 0.000 1.089 99 T HN 0.656 nan 8.240 nan 0.000 0.531 100 Y N 1.250 121.229 120.300 -0.535 0.000 2.965 100 Y HA 0.661 5.211 4.550 -0.000 0.000 0.341 100 Y C -1.788 173.586 175.900 -0.878 0.000 1.443 100 Y CA -2.038 55.495 58.100 -0.946 0.000 1.101 100 Y CB 0.649 38.817 38.460 -0.487 0.000 1.969 100 Y HN 0.325 nan 8.280 nan 0.000 0.419 101 F N 0.757 120.343 119.950 -0.606 0.000 2.561 101 F HA 0.730 5.257 4.527 -0.000 0.000 0.384 101 F C -0.391 174.960 175.800 -0.748 0.000 1.131 101 F CA -0.751 56.837 58.000 -0.686 0.000 1.133 101 F CB 0.872 39.674 39.000 -0.330 0.000 1.506 101 F HN 0.625 nan 8.300 nan 0.000 0.499 102 D N -0.838 119.457 120.400 -0.173 0.000 2.615 102 D HA 0.463 5.103 4.640 -0.000 0.000 0.267 102 D C -1.794 174.445 176.300 -0.101 0.000 1.236 102 D CA -0.204 53.763 54.000 -0.056 0.000 0.839 102 D CB 2.294 43.246 40.800 0.254 0.000 1.380 102 D HN 0.423 nan 8.370 nan 0.000 0.433 103 I N -0.168 120.304 120.570 -0.164 0.000 2.846 103 I HA 0.571 4.741 4.170 -0.000 0.000 0.307 103 I C -0.455 175.569 176.117 -0.156 0.000 1.053 103 I CA -0.503 60.651 61.300 -0.242 0.000 1.050 103 I CB 1.811 39.496 38.000 -0.524 0.000 1.239 103 I HN 0.405 nan 8.210 nan 0.000 0.439 104 R N 3.417 123.779 120.500 -0.230 0.000 2.604 104 R HA 0.844 5.184 4.340 -0.000 0.000 0.270 104 R C -0.449 175.851 176.300 0.001 0.000 1.052 104 R CA -0.906 55.181 56.100 -0.020 0.000 0.902 104 R CB 1.869 32.157 30.300 -0.020 0.000 1.233 104 R HN 0.856 nan 8.270 nan 0.000 0.455 105 G N 0.726 109.658 108.800 0.220 0.000 2.181 105 G HA2 0.151 4.111 3.960 -0.000 0.000 0.098 105 G HA3 0.151 4.111 3.960 -0.000 0.000 0.098 105 G C -1.456 173.192 174.900 -0.420 0.000 1.237 105 G CA -0.180 44.933 45.100 0.022 0.000 1.238 105 G HN 1.032 nan 8.290 nan 0.000 0.468 106 V N -1.557 117.778 119.914 -0.965 0.000 2.808 106 V HA 0.843 4.963 4.120 -0.000 0.000 0.308 106 V C 0.468 175.708 176.094 -1.424 0.000 1.099 106 V CA -0.963 60.694 62.300 -1.071 0.000 0.920 106 V CB 1.527 33.080 31.823 -0.450 0.000 1.014 106 V HN 0.919 nan 8.190 nan 0.000 0.425 107 L N 1.887 122.474 121.223 -1.061 0.000 2.511 107 L HA 0.619 4.959 4.340 -0.000 0.000 0.184 107 L C 1.326 178.055 176.870 -0.235 0.000 1.382 107 L CA 2.022 56.592 54.840 -0.450 0.000 3.034 107 L CB -0.249 41.701 42.059 -0.182 0.000 2.913 107 L HN 1.185 nan 8.230 nan 0.000 1.071 108 D N -2.836 117.480 120.400 -0.142 0.000 4.425 108 D HA -0.076 4.564 4.640 -0.000 0.000 0.111 108 D C -0.131 176.144 176.300 -0.041 0.000 0.401 108 D CA -0.079 53.867 54.000 -0.089 0.000 0.580 108 D CB -0.186 40.564 40.800 -0.084 0.000 1.642 108 D HN 0.233 nan 8.370 nan 0.000 0.031 109 R N 1.151 121.595 120.500 -0.093 0.000 1.545 109 R HA -0.002 4.338 4.340 -0.000 0.000 0.183 109 R C 0.594 176.759 176.300 -0.225 0.000 0.533 109 R CA 1.228 57.199 56.100 -0.216 0.000 0.364 109 R CB -1.644 28.467 30.300 -0.314 0.000 1.620 109 R HN 0.447 nan 8.270 nan 0.000 0.571 110 G N 2.501 111.258 108.800 -0.072 0.000 3.016 110 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.299 110 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.299 110 G C -1.273 173.828 174.900 0.335 0.000 0.290 110 G CA -0.400 44.768 45.100 0.114 0.000 1.161 110 G HN 0.351 nan 8.290 nan 0.000 0.551 111 P HA 0.010 nan 4.420 nan 0.000 0.221 111 P C 1.020 178.403 177.300 0.138 0.000 1.155 111 P CA 1.562 64.759 63.100 0.161 0.000 0.812 111 P CB 0.113 31.857 31.700 0.074 0.000 0.801 112 T N -0.350 114.301 114.554 0.161 0.000 2.910 112 T HA 0.593 4.943 4.350 -0.000 0.000 0.323 112 T C -0.399 174.510 174.700 0.348 0.000 1.091 112 T CA -0.734 61.438 62.100 0.120 0.000 0.960 112 T CB -0.663 68.260 68.868 0.092 0.000 1.024 112 T HN 0.134 nan 8.240 nan 0.000 0.509 113 F N -0.310 119.717 119.950 0.129 0.000 2.725 113 F HA 0.663 5.190 4.527 -0.000 0.000 0.311 113 F C -1.863 174.012 175.800 0.124 0.000 1.121 113 F CA -1.352 56.733 58.000 0.142 0.000 0.978 113 F CB 1.599 40.655 39.000 0.094 0.000 1.274 113 F HN 0.510 nan 8.300 nan 0.000 0.440 114 K N 4.498 125.055 120.400 0.261 0.000 2.545 114 K HA 0.601 4.921 4.320 -0.000 0.000 0.252 114 K C -3.191 173.606 176.600 0.329 0.000 0.948 114 K CA -1.764 54.611 56.287 0.146 0.000 0.827 114 K CB 2.579 35.131 32.500 0.087 0.000 1.128 114 K HN 0.439 nan 8.250 nan 0.000 0.429 115 P HA 0.212 nan 4.420 nan 0.000 0.247 115 P C -1.507 175.856 177.300 0.105 0.000 1.683 115 P CA -0.048 63.116 63.100 0.108 0.000 1.143 115 P CB -0.434 31.406 31.700 0.234 0.000 1.577 116 Y N -1.050 118.959 120.300 -0.486 0.000 2.968 116 Y HA 0.032 4.582 4.550 -0.000 0.000 0.383 116 Y C -1.942 174.055 175.900 0.162 0.000 1.150 116 Y CA -1.020 56.982 58.100 -0.164 0.000 1.165 116 Y CB -1.307 37.084 38.460 -0.116 0.000 2.625 116 Y HN 0.353 nan 8.280 nan 0.000 0.414 117 S N 1.540 117.036 115.700 -0.341 0.000 2.542 117 S HA 0.813 5.283 4.470 -0.000 0.000 0.293 117 S C 0.041 174.350 174.600 -0.484 0.000 1.089 117 S CA 0.775 58.745 58.200 -0.383 0.000 0.961 117 S CB 1.020 64.076 63.200 -0.239 0.000 1.062 117 S HN 2.583 nan 8.310 nan 0.000 0.483 118 G N 2.628 111.232 108.800 -0.326 0.000 2.451 118 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.208 118 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.208 118 G C -0.090 174.697 174.900 -0.188 0.000 1.248 118 G CA -0.055 44.935 45.100 -0.183 0.000 0.989 118 G HN 1.023 nan 8.290 nan 0.000 0.559 119 T N -0.844 113.695 114.554 -0.024 0.000 2.861 119 T HA 0.828 5.178 4.350 -0.000 0.000 0.265 119 T C 1.250 176.053 174.700 0.171 0.000 1.104 119 T CA 1.123 63.269 62.100 0.078 0.000 0.987 119 T CB 1.275 70.245 68.868 0.171 0.000 2.051 119 T HN 2.270 nan 8.240 nan 0.000 0.570 120 A N -1.303 121.609 122.820 0.154 0.000 2.431 120 A HA 0.332 4.652 4.320 -0.000 0.000 0.149 120 A C -0.880 176.613 177.584 -0.152 0.000 1.903 120 A CA -0.278 51.752 52.037 -0.011 0.000 1.329 120 A CB -0.164 18.769 19.000 -0.113 0.000 1.467 120 A HN 0.606 nan 8.150 nan 0.000 0.352 121 Y N -0.309 120.055 120.300 0.106 0.000 2.485 121 Y HA 0.555 5.105 4.550 -0.000 0.000 0.345 121 Y C 1.253 177.209 175.900 0.095 0.000 0.998 121 Y CA -0.411 57.746 58.100 0.094 0.000 1.059 121 Y CB 1.145 39.666 38.460 0.102 0.000 1.234 121 Y HN 0.159 nan 8.280 nan 0.000 0.461 122 N N -0.037 118.797 118.700 0.223 0.000 2.880 122 N HA -0.350 4.390 4.740 -0.000 0.000 0.226 122 N C 0.819 176.339 175.510 0.016 0.000 0.813 122 N CA 1.165 54.279 53.050 0.106 0.000 1.196 122 N CB -0.867 37.686 38.487 0.111 0.000 0.976 122 N HN 1.033 nan 8.380 nan 0.000 0.621 123 A N -0.140 122.735 122.820 0.091 0.000 5.484 123 A HA -0.323 3.997 4.320 -0.000 0.000 0.936 123 A C 1.965 179.222 177.584 -0.545 0.000 1.531 123 A CA 2.552 54.593 52.037 0.007 0.000 3.130 123 A CB -1.493 17.556 19.000 0.081 0.000 1.687 123 A HN 0.948 nan 8.150 nan 0.000 0.989 124 L N -2.890 118.075 121.223 -0.430 0.000 2.660 124 L HA -0.373 3.967 4.340 -0.000 0.000 0.214 124 L C 1.601 178.131 176.870 -0.566 0.000 1.131 124 L CA 1.965 56.548 54.840 -0.428 0.000 0.849 124 L CB -2.312 39.638 42.059 -0.182 0.000 0.944 124 L HN 1.515 nan 8.230 nan 0.000 0.446 125 A N 1.352 123.870 122.820 -0.504 0.000 2.466 125 A HA 0.393 4.713 4.320 -0.000 0.000 0.238 125 A C -1.363 175.926 177.584 -0.491 0.000 1.074 125 A CA -0.622 51.213 52.037 -0.338 0.000 0.774 125 A CB -0.299 18.583 19.000 -0.197 0.000 1.015 125 A HN 0.231 nan 8.150 nan 0.000 0.498 126 P HA 0.131 nan 4.420 nan 0.000 0.317 126 P C -0.869 176.633 177.300 0.337 0.000 1.316 126 P CA -0.079 63.099 63.100 0.131 0.000 0.744 126 P CB 0.238 31.993 31.700 0.092 0.000 1.521 127 K N -0.568 119.998 120.400 0.276 0.000 2.356 127 K HA 0.606 4.926 4.320 -0.000 0.000 0.243 127 K C 0.511 177.181 176.600 0.117 0.000 1.072 127 K CA -0.539 55.863 56.287 0.192 0.000 1.014 127 K CB 0.029 32.607 32.500 0.130 0.000 1.523 127 K HN 0.676 nan 8.250 nan 0.000 0.455 128 G N 1.559 110.415 108.800 0.093 0.000 4.018 128 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.195 128 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.195 128 G C -0.173 174.742 174.900 0.025 0.000 1.019 128 G CA -0.199 44.932 45.100 0.053 0.000 0.871 128 G HN 0.602 nan 8.290 nan 0.000 0.339 129 A N 3.217 126.047 122.820 0.017 0.000 2.517 129 A HA 0.557 4.877 4.320 -0.000 0.000 0.284 129 A C -1.185 176.397 177.584 -0.004 0.000 1.195 129 A CA 0.293 52.324 52.037 -0.010 0.000 0.873 129 A CB -0.422 18.566 19.000 -0.020 0.000 1.055 129 A HN 0.298 nan 8.150 nan 0.000 0.538 130 P HA 0.172 nan 4.420 nan 0.000 0.339 130 P C -0.359 176.938 177.300 -0.005 0.000 1.376 130 P CA -0.343 62.753 63.100 -0.006 0.000 0.797 130 P CB 0.496 32.187 31.700 -0.015 0.000 1.872 131 N N -1.901 116.802 118.700 0.004 0.000 2.493 131 N HA 0.232 4.972 4.740 -0.000 0.000 0.279 131 N C -2.884 172.639 175.510 0.021 0.000 1.082 131 N CA -1.255 51.801 53.050 0.010 0.000 0.963 131 N CB 0.641 39.134 38.487 0.010 0.000 1.627 131 N HN 0.147 nan 8.380 nan 0.000 0.499 132 P HA -0.123 nan 4.420 nan 0.000 0.261 132 P C -0.118 177.156 177.300 -0.044 0.000 1.140 132 P CA 0.285 63.402 63.100 0.028 0.000 0.757 132 P CB 0.427 32.150 31.700 0.039 0.000 0.735 133 C N 3.005 122.213 119.300 -0.154 0.000 3.312 133 C HA 0.625 5.085 4.460 -0.000 0.000 0.368 133 C C -1.120 173.431 174.990 -0.731 0.000 2.465 133 C CA -0.364 58.442 59.018 -0.354 0.000 1.359 133 C CB 1.564 29.124 27.740 -0.301 0.000 2.896 133 C HN 0.735 nan 8.230 nan 0.000 0.470 134 E N -0.165 119.479 120.200 -0.927 0.000 2.383 134 E HA 0.551 4.901 4.350 -0.000 0.000 0.275 134 E C -1.892 174.257 176.600 -0.751 0.000 0.918 134 E CA -0.494 55.332 56.400 -0.956 0.000 0.764 134 E CB 1.444 30.914 29.700 -0.384 0.000 1.252 134 E HN 0.783 nan 8.360 nan 0.000 0.449 135 W N -0.007 121.345 121.300 0.086 0.000 3.349 135 W HA 0.385 5.045 4.660 -0.000 0.000 0.325 135 W C 0.309 176.860 176.519 0.052 0.000 1.198 135 W CA -0.840 56.550 57.345 0.075 0.000 0.985 135 W CB 0.015 29.539 29.460 0.106 0.000 1.556 135 W HN 0.403 nan 8.180 nan 0.000 0.610 167 H N 0.917 120.155 119.070 0.280 0.000 2.326 167 H HA 0.665 5.221 4.556 -0.000 0.000 0.358 167 H C -0.013 175.438 175.328 0.205 0.000 1.834 167 H CA 0.815 57.063 56.048 0.333 0.000 1.427 167 H CB 0.568 30.605 29.762 0.459 0.000 1.638 167 H HN 0.351 nan 8.280 nan 0.000 0.567 168 V N -1.038 119.086 119.914 0.350 0.000 3.314 168 V HA 0.224 4.344 4.120 -0.000 0.000 0.278 168 V C -1.543 174.659 176.094 0.180 0.000 1.709 168 V CA -1.076 61.212 62.300 -0.020 0.000 1.042 168 V CB 1.609 33.385 31.823 -0.078 0.000 1.231 168 V HN 0.547 nan 8.190 nan 0.000 0.476 169 F N -0.267 119.703 119.950 0.033 0.000 2.608 169 F HA 0.872 5.399 4.527 -0.000 0.000 0.309 169 F C 0.341 176.163 175.800 0.036 0.000 1.103 169 F CA 0.646 58.703 58.000 0.095 0.000 0.954 169 F CB 2.549 41.658 39.000 0.182 0.000 1.267 169 F HN 0.998 nan 8.300 nan 0.000 0.444 170 G N 3.024 112.037 108.800 0.356 0.000 2.328 170 G HA2 0.462 4.422 3.960 -0.000 0.000 0.295 170 G HA3 0.462 4.422 3.960 -0.000 0.000 0.295 170 G C -2.543 172.440 174.900 0.139 0.000 1.413 170 G CA -0.624 44.599 45.100 0.205 0.000 0.817 170 G HN 0.674 nan 8.290 nan 0.000 0.546 171 Q N -1.220 118.629 119.800 0.083 0.000 2.814 171 Q HA 0.737 5.077 4.340 -0.000 0.000 0.322 171 Q C -1.672 174.335 176.000 0.013 0.000 0.861 171 Q CA -0.294 55.535 55.803 0.044 0.000 0.773 171 Q CB 2.276 31.046 28.738 0.054 0.000 1.423 171 Q HN 2.401 nan 8.270 nan 0.000 0.495 172 A N 1.294 124.116 122.820 0.003 0.000 2.606 172 A HA 0.581 4.901 4.320 -0.000 0.000 0.303 172 A C -3.009 174.578 177.584 0.005 0.000 0.981 172 A CA -0.662 51.370 52.037 -0.008 0.000 0.742 172 A CB 0.829 19.814 19.000 -0.025 0.000 1.229 172 A HN 0.490 nan 8.150 nan 0.000 0.401 173 P HA 0.916 nan 4.420 nan 0.000 0.294 173 P C -0.855 176.524 177.300 0.132 0.000 1.297 173 P CA -0.638 62.489 63.100 0.046 0.000 1.025 173 P CB 1.879 33.591 31.700 0.021 0.000 1.457 174 Y N -1.801 118.481 120.300 -0.030 0.000 3.121 174 Y HA 0.113 4.663 4.550 -0.000 0.000 0.423 174 Y C -1.160 174.729 175.900 -0.019 0.000 1.236 174 Y CA -0.706 57.377 58.100 -0.028 0.000 1.148 174 Y CB -0.007 38.431 38.460 -0.038 0.000 2.420 174 Y HN 0.401 nan 8.280 nan 0.000 0.403 175 S N 1.550 117.139 115.700 -0.185 0.000 2.143 175 S HA 0.463 4.933 4.470 -0.000 0.000 0.188 175 S C -0.429 173.932 174.600 -0.397 0.000 1.431 175 S CA 0.309 58.356 58.200 -0.255 0.000 1.253 175 S CB -0.468 62.648 63.200 -0.139 0.000 1.137 175 S HN 0.941 nan 8.310 nan 0.000 0.457 176 G N 2.322 110.952 108.800 -0.283 0.000 2.395 176 G HA2 0.426 4.386 3.960 -0.000 0.000 0.283 176 G HA3 0.426 4.386 3.960 -0.000 0.000 0.283 176 G C 1.055 175.929 174.900 -0.043 0.000 1.178 176 G CA -0.729 44.252 45.100 -0.199 0.000 0.837 176 G HN 0.507 nan 8.290 nan 0.000 0.518 177 I N 0.892 121.426 120.570 -0.060 0.000 2.163 177 I HA -0.039 4.131 4.170 -0.000 0.000 0.240 177 I C 0.981 177.090 176.117 -0.014 0.000 1.081 177 I CA 1.155 62.450 61.300 -0.008 0.000 1.353 177 I CB -1.218 36.749 38.000 -0.054 0.000 1.054 177 I HN 0.622 nan 8.210 nan 0.000 0.407 178 N N 0.509 119.044 118.700 -0.274 0.000 3.550 178 N HA 0.358 5.098 4.740 -0.000 0.000 0.345 178 N C -0.667 174.509 175.510 -0.556 0.000 1.647 178 N CA -0.710 51.778 53.050 -0.936 0.000 0.737 178 N CB 1.443 39.577 38.487 -0.589 0.000 2.178 178 N HN 0.050 nan 8.380 nan 0.000 0.638 179 I N 0.013 120.315 120.570 -0.448 0.000 2.474 179 I HA 0.697 4.867 4.170 -0.000 0.000 0.294 179 I C -1.268 174.829 176.117 -0.033 0.000 1.005 179 I CA -0.100 61.132 61.300 -0.114 0.000 1.113 179 I CB 1.137 39.187 38.000 0.083 0.000 1.289 179 I HN 0.779 nan 8.210 nan 0.000 0.436 180 T N 4.155 118.693 114.554 -0.027 0.000 2.812 180 T HA 0.417 4.767 4.350 -0.000 0.000 0.294 180 T C 0.273 175.054 174.700 0.135 0.000 1.159 180 T CA -0.712 61.422 62.100 0.058 0.000 1.008 180 T CB 2.111 70.993 68.868 0.022 0.000 1.289 180 T HN 0.574 nan 8.240 nan 0.000 0.514 181 K N 0.160 120.674 120.400 0.189 0.000 2.354 181 K HA 0.195 4.515 4.320 -0.000 0.000 0.194 181 K C 0.664 177.347 176.600 0.137 0.000 1.038 181 K CA 0.276 56.703 56.287 0.233 0.000 1.052 181 K CB 0.314 32.922 32.500 0.180 0.000 0.861 181 K HN 0.761 nan 8.250 nan 0.000 0.535 182 E N -0.426 119.837 120.200 0.105 0.000 2.989 182 E HA 0.345 4.695 4.350 -0.000 0.000 0.207 182 E C -0.360 176.304 176.600 0.107 0.000 0.989 182 E CA -0.350 56.111 56.400 0.102 0.000 1.186 182 E CB 0.512 30.278 29.700 0.111 0.000 1.141 182 E HN 0.123 nan 8.360 nan 0.000 0.454 183 G N 2.102 110.957 108.800 0.092 0.000 3.137 183 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 183 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 183 G C -0.037 174.889 174.900 0.043 0.000 0.988 183 G CA -0.924 44.240 45.100 0.107 0.000 0.789 183 G HN 0.272 nan 8.290 nan 0.000 0.544 184 I N 2.156 122.715 120.570 -0.019 0.000 3.492 184 I HA -0.106 4.064 4.170 -0.000 0.000 0.310 184 I C 1.313 177.412 176.117 -0.029 0.000 1.254 184 I CA 1.013 62.282 61.300 -0.051 0.000 1.378 184 I CB -0.496 37.461 38.000 -0.072 0.000 1.457 184 I HN 0.736 nan 8.210 nan 0.000 0.524 185 Q N 6.443 126.226 119.800 -0.029 0.000 2.263 185 Q HA 0.158 4.498 4.340 -0.000 0.000 0.270 185 Q C -0.021 175.948 176.000 -0.052 0.000 1.104 185 Q CA 0.266 56.054 55.803 -0.024 0.000 0.909 185 Q CB 0.469 29.196 28.738 -0.017 0.000 1.214 185 Q HN 0.534 nan 8.270 nan 0.000 0.400 186 I N 2.693 123.233 120.570 -0.050 0.000 3.394 186 I HA 0.334 4.504 4.170 -0.000 0.000 0.264 186 I C 0.513 176.598 176.117 -0.054 0.000 1.184 186 I CA 0.336 61.594 61.300 -0.069 0.000 0.890 186 I CB 0.129 38.083 38.000 -0.077 0.000 1.619 186 I HN 0.861 nan 8.210 nan 0.000 0.820 187 G N 2.159 110.928 108.800 -0.051 0.000 2.337 187 G HA2 0.076 4.036 3.960 -0.000 0.000 0.265 187 G HA3 0.076 4.036 3.960 -0.000 0.000 0.265 187 G C 1.026 175.903 174.900 -0.039 0.000 0.745 187 G CA 0.434 45.511 45.100 -0.040 0.000 1.005 187 G HN 0.631 nan 8.290 nan 0.000 0.323 188 V N 1.815 121.706 119.914 -0.038 0.000 2.250 188 V HA -0.144 3.976 4.120 -0.000 0.000 0.240 188 V C 1.570 177.634 176.094 -0.049 0.000 1.025 188 V CA 2.313 64.588 62.300 -0.042 0.000 0.999 188 V CB -0.851 30.951 31.823 -0.035 0.000 0.646 188 V HN 0.821 nan 8.190 nan 0.000 0.470 189 E N -1.915 118.260 120.200 -0.042 0.000 1.872 189 E HA 0.223 4.573 4.350 -0.000 0.000 0.230 189 E C 1.272 177.854 176.600 -0.030 0.000 1.070 189 E CA 0.717 57.092 56.400 -0.042 0.000 1.469 189 E CB 0.733 30.398 29.700 -0.059 0.000 4.011 189 E HN 0.637 nan 8.360 nan 0.000 0.938 190 G N 0.423 109.207 108.800 -0.027 0.000 4.253 190 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.169 190 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.169 190 G C 0.821 175.711 174.900 -0.018 0.000 1.295 190 G CA 0.611 45.700 45.100 -0.020 0.000 1.021 190 G HN 0.071 nan 8.290 nan 0.000 0.381 191 Q N -0.787 119.002 119.800 -0.018 0.000 2.398 191 Q HA 0.225 4.565 4.340 -0.000 0.000 0.238 191 Q C 0.350 176.340 176.000 -0.016 0.000 0.761 191 Q CA 0.294 56.088 55.803 -0.015 0.000 0.960 191 Q CB 1.037 29.769 28.738 -0.010 0.000 1.288 191 Q HN 0.247 nan 8.270 nan 0.000 0.503 192 T N 4.173 118.715 114.554 -0.020 0.000 2.909 192 T HA 0.430 4.780 4.350 -0.000 0.000 0.289 192 T C -2.539 172.138 174.700 -0.037 0.000 1.005 192 T CA -1.439 60.648 62.100 -0.022 0.000 1.084 192 T CB 1.329 70.183 68.868 -0.022 0.000 0.975 192 T HN 0.034 nan 8.240 nan 0.000 0.509 193 P HA 0.525 nan 4.420 nan 0.000 0.290 193 P C -0.342 176.891 177.300 -0.112 0.000 1.283 193 P CA -0.787 62.282 63.100 -0.051 0.000 0.869 193 P CB 1.617 33.307 31.700 -0.016 0.000 1.100 194 K N 0.648 120.944 120.400 -0.174 0.000 2.264 194 K HA 0.385 4.705 4.320 -0.000 0.000 0.272 194 K C 0.432 176.864 176.600 -0.279 0.000 1.003 194 K CA -0.323 55.702 56.287 -0.436 0.000 1.266 194 K CB 0.245 32.508 32.500 -0.394 0.000 1.820 194 K HN 0.434 nan 8.250 nan 0.000 0.818 195 Y N -1.769 118.546 120.300 0.025 0.000 2.583 195 Y HA 0.494 5.044 4.550 -0.000 0.000 0.116 195 Y C 0.879 176.804 175.900 0.041 0.000 0.926 195 Y CA -0.247 57.870 58.100 0.027 0.000 1.758 195 Y CB 0.223 38.695 38.460 0.021 0.000 1.119 195 Y HN 0.520 nan 8.280 nan 0.000 0.307 196 A N -1.653 121.325 122.820 0.264 0.000 1.781 196 A HA 0.148 4.468 4.320 -0.000 0.000 0.180 196 A C -0.710 176.982 177.584 0.180 0.000 1.996 196 A CA 0.212 52.364 52.037 0.192 0.000 1.576 196 A CB -0.228 18.901 19.000 0.215 0.000 1.609 196 A HN 0.515 nan 8.150 nan 0.000 0.304 197 D N 0.112 120.593 120.400 0.135 0.000 5.987 197 D HA -0.146 4.494 4.640 -0.000 0.000 0.250 197 D C 0.718 177.031 176.300 0.022 0.000 1.479 197 D CA 1.200 55.249 54.000 0.082 0.000 1.520 197 D CB 0.380 41.310 40.800 0.218 0.000 0.811 197 D HN 0.617 nan 8.370 nan 0.000 0.466 198 K N 2.154 122.444 120.400 -0.184 0.000 2.379 198 K HA -0.002 4.318 4.320 -0.000 0.000 0.194 198 K C 1.341 177.965 176.600 0.040 0.000 1.031 198 K CA 0.714 56.864 56.287 -0.229 0.000 1.037 198 K CB -0.173 31.978 32.500 -0.581 0.000 0.824 198 K HN 0.340 nan 8.250 nan 0.000 0.516 199 T N 1.533 116.140 114.554 0.087 0.000 2.795 199 T HA -0.173 4.177 4.350 -0.000 0.000 0.266 199 T C 0.956 175.808 174.700 0.253 0.000 1.056 199 T CA 2.216 64.372 62.100 0.094 0.000 1.141 199 T CB -0.328 68.543 68.868 0.004 0.000 0.840 199 T HN 0.601 nan 8.240 nan 0.000 0.493 200 F N -2.120 117.829 119.950 -0.002 0.000 2.720 200 F HA 0.424 4.951 4.527 -0.000 0.000 0.405 200 F C -0.121 175.713 175.800 0.057 0.000 0.853 200 F CA -1.006 57.007 58.000 0.022 0.000 0.962 200 F CB 0.019 39.029 39.000 0.017 0.000 1.135 200 F HN -0.047 nan 8.300 nan 0.000 0.587 201 Q N 3.435 123.104 119.800 -0.218 0.000 2.212 201 Q HA 0.474 4.814 4.340 -0.000 0.000 0.238 201 Q C -2.606 173.472 176.000 0.130 0.000 0.955 201 Q CA -1.748 53.900 55.803 -0.258 0.000 0.906 201 Q CB 1.400 29.895 28.738 -0.405 0.000 1.215 201 Q HN -0.008 nan 8.270 nan 0.000 0.478 202 P HA 0.123 nan 4.420 nan 0.000 0.285 202 P C -0.694 176.547 177.300 -0.099 0.000 1.259 202 P CA -0.246 62.843 63.100 -0.018 0.000 0.794 202 P CB 0.735 32.470 31.700 0.059 0.000 0.940 203 E N 3.831 123.932 120.200 -0.164 0.000 2.392 203 E HA 0.017 4.367 4.350 -0.000 0.000 0.264 203 E C -1.401 175.100 176.600 -0.165 0.000 1.024 203 E CA -1.208 55.101 56.400 -0.152 0.000 0.903 203 E CB -0.026 29.586 29.700 -0.147 0.000 0.963 203 E HN 0.353 nan 8.360 nan 0.000 0.432 204 P HA -0.213 nan 4.420 nan 0.000 0.216 204 P C 0.461 177.694 177.300 -0.111 0.000 1.157 204 P CA 1.530 64.573 63.100 -0.094 0.000 0.880 204 P CB 0.195 31.866 31.700 -0.047 0.000 0.791 205 Q N -0.833 118.904 119.800 -0.106 0.000 2.329 205 Q HA 0.164 4.504 4.340 -0.000 0.000 0.208 205 Q C 0.319 176.236 176.000 -0.140 0.000 0.934 205 Q CA 0.075 55.819 55.803 -0.098 0.000 0.951 205 Q CB -0.436 28.265 28.738 -0.061 0.000 1.017 205 Q HN 0.366 nan 8.270 nan 0.000 0.490 206 I N -1.498 118.929 120.570 -0.239 0.000 2.648 206 I HA 0.832 5.002 4.170 -0.000 0.000 0.304 206 I C 0.543 176.442 176.117 -0.364 0.000 1.009 206 I CA -1.105 59.980 61.300 -0.359 0.000 1.114 206 I CB 1.930 39.504 38.000 -0.709 0.000 1.293 206 I HN 0.035 nan 8.210 nan 0.000 0.449 207 G N 2.030 110.686 108.800 -0.240 0.000 2.341 207 G HA2 0.145 4.105 3.960 -0.000 0.000 0.299 207 G HA3 0.145 4.105 3.960 -0.000 0.000 0.299 207 G C -1.406 173.532 174.900 0.065 0.000 1.274 207 G CA -0.846 44.209 45.100 -0.074 0.000 0.853 207 G HN 0.561 nan 8.290 nan 0.000 0.493 208 E N 0.917 121.153 120.200 0.061 0.000 2.918 208 E HA 0.022 4.372 4.350 -0.000 0.000 0.232 208 E C 0.997 177.615 176.600 0.030 0.000 1.073 208 E CA 0.435 56.864 56.400 0.049 0.000 0.949 208 E CB 0.575 30.287 29.700 0.020 0.000 0.937 208 E HN 0.338 nan 8.360 nan 0.000 0.536 209 S N 2.924 118.653 115.700 0.048 0.000 2.402 209 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 209 S C 0.496 175.075 174.600 -0.034 0.000 1.021 209 S CA 1.086 59.305 58.200 0.032 0.000 0.974 209 S CB 0.214 63.452 63.200 0.062 0.000 0.800 209 S HN 0.442 nan 8.310 nan 0.000 0.484 210 Q N 1.080 120.799 119.800 -0.136 0.000 2.381 210 Q HA 0.157 4.497 4.340 -0.000 0.000 0.263 210 Q C -0.198 175.367 176.000 -0.726 0.000 1.030 210 Q CA -0.434 55.108 55.803 -0.436 0.000 0.772 210 Q CB 0.809 29.397 28.738 -0.250 0.000 1.232 210 Q HN 0.637 nan 8.270 nan 0.000 0.476 211 W N 4.511 125.339 121.300 -0.788 0.000 3.319 211 W HA -0.032 4.628 4.660 -0.000 0.000 0.297 211 W C -1.171 175.065 176.519 -0.472 0.000 1.306 211 W CA -0.046 56.977 57.345 -0.537 0.000 1.559 211 W CB -1.111 28.184 29.460 -0.275 0.000 0.990 211 W HN 0.474 nan 8.180 nan 0.000 0.746 212 Y N -1.248 119.025 120.300 -0.045 0.000 2.876 212 Y HA 0.401 4.951 4.550 -0.000 0.000 0.317 212 Y C 0.137 176.013 175.900 -0.040 0.000 1.369 212 Y CA -2.672 55.382 58.100 -0.076 0.000 1.101 212 Y CB -0.181 38.076 38.460 -0.339 0.000 1.346 212 Y HN -0.022 nan 8.280 nan 0.000 0.505 213 E N 1.020 121.332 120.200 0.187 0.000 1.941 213 E HA 0.246 4.596 4.350 -0.000 0.000 0.275 213 E C -1.140 175.500 176.600 0.067 0.000 1.113 213 E CA -0.298 56.157 56.400 0.091 0.000 0.878 213 E CB 0.175 29.909 29.700 0.056 0.000 1.070 213 E HN 0.712 nan 8.360 nan 0.000 0.399 214 T N 4.192 118.790 114.554 0.074 0.000 3.466 214 T HA 0.150 4.500 4.350 -0.000 0.000 0.297 214 T C -0.727 173.981 174.700 0.014 0.000 1.640 214 T CA -0.572 61.555 62.100 0.045 0.000 1.631 214 T CB -0.062 68.866 68.868 0.100 0.000 0.928 214 T HN 0.594 nan 8.240 nan 0.000 0.688 215 E N 1.707 121.905 120.200 -0.004 0.000 2.369 215 E HA -0.191 4.159 4.350 -0.000 0.000 0.165 215 E C 0.068 176.645 176.600 -0.037 0.000 1.622 215 E CA 0.003 56.391 56.400 -0.021 0.000 0.660 215 E CB -1.334 28.355 29.700 -0.018 0.000 1.085 215 E HN 0.865 nan 8.360 nan 0.000 0.346 216 I N -1.024 119.521 120.570 -0.043 0.000 2.792 216 I HA -0.013 4.157 4.170 -0.000 0.000 0.284 216 I C 1.123 177.151 176.117 -0.149 0.000 1.166 216 I CA 0.022 61.282 61.300 -0.066 0.000 1.375 216 I CB 0.362 38.331 38.000 -0.051 0.000 1.421 216 I HN 0.124 nan 8.210 nan 0.000 0.544 217 N N 3.884 122.473 118.700 -0.187 0.000 2.272 217 N HA 0.151 4.891 4.740 -0.000 0.000 0.195 217 N C -0.445 174.540 175.510 -0.876 0.000 1.048 217 N CA 0.828 53.600 53.050 -0.465 0.000 0.912 217 N CB 0.043 38.446 38.487 -0.140 0.000 1.096 217 N HN 0.794 nan 8.380 nan 0.000 0.471 218 H N -1.940 117.116 119.070 -0.024 0.000 3.046 218 H HA 0.770 5.326 4.556 -0.000 0.000 0.361 218 H C -0.781 174.515 175.328 -0.053 0.000 1.235 218 H CA -0.752 55.278 56.048 -0.030 0.000 1.146 218 H CB 1.713 31.458 29.762 -0.029 0.000 1.859 218 H HN 0.290 nan 8.280 nan 0.000 0.548 219 A N 0.928 123.786 122.820 0.064 0.000 3.886 219 A HA 1.040 5.360 4.320 -0.000 0.000 0.217 219 A C -1.028 176.558 177.584 0.004 0.000 0.876 219 A CA -0.257 51.793 52.037 0.022 0.000 0.726 219 A CB 0.803 19.830 19.000 0.044 0.000 1.479 219 A HN 1.357 nan 8.150 nan 0.000 0.792 220 A N -3.969 118.876 122.820 0.042 0.000 2.415 220 A HA 0.744 5.064 4.320 -0.000 0.000 0.294 220 A C 0.022 177.604 177.584 -0.005 0.000 1.019 220 A CA 0.537 52.567 52.037 -0.013 0.000 0.603 220 A CB -0.233 18.751 19.000 -0.027 0.000 1.382 220 A HN 2.634 nan 8.150 nan 0.000 0.483 221 G N -0.700 108.029 108.800 -0.119 0.000 2.528 221 G HA2 0.592 4.552 3.960 -0.000 0.000 0.078 221 G HA3 0.592 4.552 3.960 -0.000 0.000 0.078 221 G C -0.383 174.411 174.900 -0.177 0.000 1.008 221 G CA 0.636 45.665 45.100 -0.118 0.000 1.309 221 G HN 1.155 nan 8.290 nan 0.000 0.564 222 R N -2.560 117.868 120.500 -0.121 0.000 2.975 222 R HA 0.640 4.980 4.340 -0.000 0.000 0.273 222 R C -1.816 174.466 176.300 -0.030 0.000 0.971 222 R CA 0.149 56.198 56.100 -0.084 0.000 0.836 222 R CB 1.234 31.519 30.300 -0.025 0.000 1.460 222 R HN 1.306 nan 8.270 nan 0.000 0.459 223 V N 0.213 120.127 119.914 0.001 0.000 3.278 223 V HA 0.517 4.637 4.120 -0.000 0.000 0.276 223 V C -1.781 174.321 176.094 0.013 0.000 1.848 223 V CA -0.672 61.634 62.300 0.010 0.000 0.998 223 V CB 1.977 33.810 31.823 0.016 0.000 1.233 223 V HN 0.664 nan 8.190 nan 0.000 0.482 224 L N -0.153 121.070 121.223 0.000 0.000 2.177 224 L HA 0.806 5.146 4.340 -0.000 0.000 0.255 224 L C -0.636 176.217 176.870 -0.028 0.000 1.065 224 L CA -1.061 53.774 54.840 -0.009 0.000 0.982 224 L CB 1.490 43.541 42.059 -0.014 0.000 1.559 224 L HN 0.534 nan 8.230 nan 0.000 0.492 225 K N -0.557 119.823 120.400 -0.032 0.000 2.245 225 K HA 0.301 4.621 4.320 -0.000 0.000 0.234 225 K C 0.468 177.032 176.600 -0.060 0.000 1.021 225 K CA -0.566 55.693 56.287 -0.046 0.000 0.898 225 K CB 1.962 34.445 32.500 -0.029 0.000 1.163 225 K HN 0.556 nan 8.250 nan 0.000 0.459 226 K N -0.346 120.013 120.400 -0.067 0.000 2.002 226 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 226 K C 0.592 177.175 176.600 -0.028 0.000 1.048 226 K CA 2.104 58.352 56.287 -0.065 0.000 0.930 226 K CB -0.469 31.997 32.500 -0.057 0.000 0.714 226 K HN 0.562 nan 8.250 nan 0.000 0.438 227 T N 1.084 115.627 114.554 -0.018 0.000 3.728 227 T HA -0.023 4.327 4.350 -0.000 0.000 0.260 227 T C -0.272 174.426 174.700 -0.003 0.000 1.177 227 T CA 0.753 62.850 62.100 -0.005 0.000 0.987 227 T CB -1.083 67.781 68.868 -0.007 0.000 1.012 227 T HN 0.447 nan 8.240 nan 0.000 0.581 228 T N 0.606 115.157 114.554 -0.005 0.000 2.909 228 T HA 0.548 4.898 4.350 -0.000 0.000 0.299 228 T C -2.907 171.801 174.700 0.015 0.000 1.073 228 T CA -1.919 60.181 62.100 -0.000 0.000 0.999 228 T CB 2.731 71.593 68.868 -0.010 0.000 1.098 228 T HN -0.177 nan 8.240 nan 0.000 0.477 229 P HA 0.529 nan 4.420 nan 0.000 0.318 229 P C -0.828 176.509 177.300 0.062 0.000 1.309 229 P CA -0.785 62.346 63.100 0.052 0.000 0.736 229 P CB 0.475 32.200 31.700 0.041 0.000 1.440 230 M N -0.533 119.114 119.600 0.078 0.000 2.066 230 M HA 0.241 4.721 4.480 -0.000 0.000 0.264 230 M C -0.041 176.288 176.300 0.049 0.000 0.886 230 M CA -0.197 55.152 55.300 0.082 0.000 0.810 230 M CB 0.632 33.315 32.600 0.138 0.000 1.451 230 M HN 0.117 nan 8.290 nan 0.000 0.373 231 K N 1.004 121.426 120.400 0.036 0.000 2.156 231 K HA 0.793 5.113 4.320 -0.000 0.000 0.250 231 K C -3.165 173.454 176.600 0.032 0.000 0.955 231 K CA -1.816 54.490 56.287 0.032 0.000 0.855 231 K CB 1.577 34.094 32.500 0.028 0.000 1.101 231 K HN 0.044 nan 8.250 nan 0.000 0.434 232 P HA 0.059 nan 4.420 nan 0.000 0.275 232 P C 0.464 177.799 177.300 0.058 0.000 1.270 232 P CA -0.661 62.469 63.100 0.050 0.000 0.791 232 P CB 0.497 32.242 31.700 0.075 0.000 1.089 233 C N -0.060 119.275 119.300 0.059 0.000 3.083 233 C HA -0.039 4.421 4.460 -0.000 0.000 0.291 233 C C 1.486 176.548 174.990 0.120 0.000 1.277 233 C CA 0.237 59.285 59.018 0.050 0.000 1.748 233 C CB -1.768 25.966 27.740 -0.011 0.000 2.149 233 C HN 0.490 nan 8.230 nan 0.000 0.480 234 Y N 2.324 122.641 120.300 0.028 0.000 2.554 234 Y HA 0.101 4.651 4.550 -0.000 0.000 0.392 234 Y C 0.827 176.749 175.900 0.037 0.000 1.325 234 Y CA 0.542 58.662 58.100 0.033 0.000 1.887 234 Y CB -1.041 37.434 38.460 0.023 0.000 1.551 234 Y HN 0.831 nan 8.280 nan 0.000 0.364 235 G N 0.793 109.742 108.800 0.249 0.000 2.841 235 G HA2 0.236 4.196 3.960 -0.000 0.000 0.684 235 G HA3 0.236 4.196 3.960 -0.000 0.000 0.684 235 G C -1.153 173.802 174.900 0.092 0.000 1.273 235 G CA -0.469 44.742 45.100 0.184 0.000 0.811 235 G HN 0.669 nan 8.290 nan 0.000 0.631 236 S N -0.292 115.421 115.700 0.021 0.000 2.754 236 S HA 0.487 4.957 4.470 -0.000 0.000 0.277 236 S C -0.973 173.460 174.600 -0.279 0.000 0.859 236 S CA 0.224 58.364 58.200 -0.099 0.000 1.014 236 S CB 0.429 63.618 63.200 -0.019 0.000 1.276 236 S HN 2.150 nan 8.310 nan 0.000 0.466 237 Y N 1.597 121.638 120.300 -0.432 0.000 3.258 237 Y HA 0.873 5.423 4.550 -0.000 0.000 0.311 237 Y C -0.167 175.638 175.900 -0.159 0.000 1.587 237 Y CA 0.187 58.021 58.100 -0.444 0.000 0.925 237 Y CB 1.182 39.321 38.460 -0.535 0.000 1.323 237 Y HN 1.482 nan 8.280 nan 0.000 0.719 238 A N 1.816 123.812 122.820 -1.375 0.000 1.953 238 A HA 0.175 4.495 4.320 -0.000 0.000 0.232 238 A C -0.627 176.322 177.584 -1.059 0.000 2.799 238 A CA -0.596 50.885 52.037 -0.927 0.000 2.066 238 A CB -1.172 17.583 19.000 -0.408 0.000 0.321 238 A HN 0.499 nan 8.150 nan 0.000 0.918 239 K N 0.712 120.341 120.400 -1.285 0.000 2.604 239 K HA 0.021 4.341 4.320 -0.000 0.000 0.278 239 K C -2.195 174.289 176.600 -0.194 0.000 0.975 239 K CA 0.403 56.469 56.287 -0.368 0.000 1.066 239 K CB 0.421 32.923 32.500 0.004 0.000 0.840 239 K HN 0.405 nan 8.250 nan 0.000 0.491 240 P HA 0.170 nan 4.420 nan 0.000 0.284 240 P C -0.032 177.259 177.300 -0.014 0.000 1.292 240 P CA -0.298 62.787 63.100 -0.026 0.000 0.800 240 P CB 0.936 32.647 31.700 0.018 0.000 1.188 241 T N -5.028 109.519 114.554 -0.011 0.000 3.016 241 T HA 0.205 4.555 4.350 -0.000 0.000 0.271 241 T C 0.229 174.916 174.700 -0.021 0.000 0.968 241 T CA -0.257 61.833 62.100 -0.016 0.000 0.891 241 T CB -0.857 67.998 68.868 -0.022 0.000 1.149 241 T HN 0.622 nan 8.240 nan 0.000 0.524 242 N N -0.344 118.342 118.700 -0.022 0.000 2.405 242 N HA 0.319 5.059 4.740 -0.000 0.000 0.285 242 N C -0.266 175.223 175.510 -0.035 0.000 1.262 242 N CA -0.829 52.196 53.050 -0.043 0.000 0.773 242 N CB 1.620 40.057 38.487 -0.082 0.000 1.490 242 N HN -0.164 nan 8.380 nan 0.000 0.486 243 E N 0.285 120.458 120.200 -0.045 0.000 2.301 243 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 243 E C -0.590 175.985 176.600 -0.042 0.000 1.171 243 E CA 0.184 56.564 56.400 -0.034 0.000 1.142 243 E CB -0.963 28.718 29.700 -0.032 0.000 1.218 243 E HN 0.656 nan 8.360 nan 0.000 0.448 244 N N -1.014 117.653 118.700 -0.054 0.000 1.986 244 N HA 0.074 4.814 4.740 -0.000 0.000 0.227 244 N C -0.184 175.344 175.510 0.029 0.000 1.387 244 N CA 0.447 53.463 53.050 -0.057 0.000 0.810 244 N CB 1.059 39.427 38.487 -0.197 0.000 1.140 244 N HN 0.177 nan 8.380 nan 0.000 0.504 245 G N 0.997 109.828 108.800 0.052 0.000 2.742 245 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.257 245 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.257 245 G C -0.007 175.005 174.900 0.188 0.000 1.143 245 G CA -0.082 45.091 45.100 0.123 0.000 1.064 245 G HN 0.433 nan 8.290 nan 0.000 0.529 246 G N -1.379 107.488 108.800 0.112 0.000 3.217 246 G HA2 0.805 4.765 3.960 -0.000 0.000 0.213 246 G HA3 0.805 4.765 3.960 -0.000 0.000 0.213 246 G C 0.123 175.060 174.900 0.063 0.000 1.294 246 G CA 0.744 45.923 45.100 0.132 0.000 0.987 246 G HN 0.595 nan 8.290 nan 0.000 0.584 247 Q N -2.368 117.458 119.800 0.044 0.000 1.847 247 Q HA 0.161 4.501 4.340 -0.000 0.000 0.148 247 Q C 1.473 177.462 176.000 -0.018 0.000 0.581 247 Q CA 0.262 56.063 55.803 -0.004 0.000 0.877 247 Q CB 0.064 28.793 28.738 -0.015 0.000 1.017 247 Q HN 0.743 nan 8.270 nan 0.000 0.255 248 G N 2.105 110.903 108.800 -0.003 0.000 2.707 248 G HA2 0.081 4.041 3.960 -0.000 0.000 0.271 248 G HA3 0.081 4.041 3.960 -0.000 0.000 0.271 248 G C 0.178 175.067 174.900 -0.019 0.000 0.681 248 G CA 0.041 45.134 45.100 -0.011 0.000 2.072 248 G HN 0.296 nan 8.290 nan 0.000 0.569 249 I N -0.551 120.003 120.570 -0.026 0.000 3.338 249 I HA -0.195 3.975 4.170 -0.000 0.000 0.354 249 I C 0.510 176.612 176.117 -0.025 0.000 1.099 249 I CA 1.156 62.440 61.300 -0.026 0.000 1.577 249 I CB 0.415 38.399 38.000 -0.027 0.000 1.212 249 I HN 0.258 nan 8.210 nan 0.000 0.482 250 L N 6.188 127.395 121.223 -0.025 0.000 2.393 250 L HA 0.579 4.919 4.340 -0.000 0.000 0.260 250 L C -1.320 175.536 176.870 -0.023 0.000 1.002 250 L CA -0.975 53.850 54.840 -0.026 0.000 0.818 250 L CB 2.106 44.147 42.059 -0.031 0.000 1.369 250 L HN 0.176 nan 8.230 nan 0.000 0.412 251 V N 3.332 123.234 119.914 -0.021 0.000 2.318 251 V HA 0.210 4.330 4.120 -0.000 0.000 0.271 251 V C -0.081 176.001 176.094 -0.019 0.000 1.030 251 V CA -0.621 61.668 62.300 -0.018 0.000 0.844 251 V CB 1.375 33.189 31.823 -0.016 0.000 1.015 251 V HN 0.674 nan 8.190 nan 0.000 0.460 252 K N 6.526 126.915 120.400 -0.018 0.000 2.250 252 K HA 0.313 4.633 4.320 -0.000 0.000 0.285 252 K C 1.088 177.679 176.600 -0.015 0.000 1.097 252 K CA -0.448 55.828 56.287 -0.018 0.000 0.913 252 K CB 0.847 33.336 32.500 -0.019 0.000 1.179 252 K HN 0.713 nan 8.250 nan 0.000 0.462 253 Q N 3.199 122.990 119.800 -0.015 0.000 1.328 253 Q HA -0.304 4.035 4.340 -0.000 0.000 0.642 253 Q C 0.763 176.756 176.000 -0.011 0.000 0.962 253 Q CA 1.556 57.351 55.803 -0.013 0.000 0.880 253 Q CB -0.422 28.308 28.738 -0.013 0.000 0.929 253 Q HN 0.893 nan 8.270 nan 0.000 0.333 254 Q N -2.328 117.466 119.800 -0.011 0.000 1.392 254 Q HA 0.074 4.414 4.340 -0.000 0.000 0.141 254 Q C 0.882 176.876 176.000 -0.010 0.000 0.677 254 Q CA 0.326 56.123 55.803 -0.010 0.000 0.649 254 Q CB 0.327 29.060 28.738 -0.008 0.000 1.133 254 Q HN 0.425 nan 8.270 nan 0.000 0.340 255 N N -0.410 118.283 118.700 -0.011 0.000 2.415 255 N HA 0.148 4.888 4.740 -0.000 0.000 0.176 255 N C 0.470 175.972 175.510 -0.013 0.000 1.042 255 N CA 1.349 54.392 53.050 -0.011 0.000 0.902 255 N CB 0.792 39.272 38.487 -0.011 0.000 0.986 255 N HN 0.328 nan 8.380 nan 0.000 0.447 256 G N -1.416 107.376 108.800 -0.014 0.000 3.321 256 G HA2 0.371 4.331 3.960 -0.000 0.000 0.169 256 G HA3 0.371 4.331 3.960 -0.000 0.000 0.169 256 G C -0.250 174.640 174.900 -0.017 0.000 1.153 256 G CA -0.197 44.893 45.100 -0.016 0.000 1.007 256 G HN -0.072 nan 8.290 nan 0.000 0.668 257 K N -1.529 118.859 120.400 -0.021 0.000 2.366 257 K HA 0.545 4.865 4.320 -0.000 0.000 0.312 257 K C -0.974 175.611 176.600 -0.026 0.000 0.967 257 K CA -0.454 55.819 56.287 -0.022 0.000 0.868 257 K CB 0.343 32.829 32.500 -0.024 0.000 3.506 257 K HN 0.195 nan 8.250 nan 0.000 1.211 258 L N 2.118 123.323 121.223 -0.030 0.000 2.298 258 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 258 L C 0.222 177.068 176.870 -0.041 0.000 1.013 258 L CA -0.380 54.439 54.840 -0.034 0.000 0.824 258 L CB 1.697 43.734 42.059 -0.036 0.000 1.221 258 L HN 0.503 nan 8.230 nan 0.000 0.418 259 E N 1.378 121.553 120.200 -0.042 0.000 3.365 259 E HA 0.448 4.798 4.350 -0.000 0.000 0.512 259 E C -0.391 176.174 176.600 -0.058 0.000 0.257 259 E CA -0.442 55.928 56.400 -0.049 0.000 2.955 259 E CB 0.441 30.114 29.700 -0.043 0.000 2.314 259 E HN 0.542 nan 8.360 nan 0.000 0.394 260 S N 0.756 116.420 115.700 -0.061 0.000 2.417 260 S HA 0.037 4.507 4.470 -0.000 0.000 0.189 260 S C -1.087 173.473 174.600 -0.066 0.000 1.005 260 S CA -0.597 57.560 58.200 -0.072 0.000 1.116 260 S CB 0.916 64.060 63.200 -0.094 0.000 1.343 260 S HN 0.379 nan 8.310 nan 0.000 0.406 261 Q N 2.572 122.340 119.800 -0.054 0.000 2.304 261 Q HA 0.743 5.083 4.340 -0.000 0.000 0.260 261 Q C -0.664 175.311 176.000 -0.042 0.000 0.965 261 Q CA 0.029 55.807 55.803 -0.042 0.000 0.898 261 Q CB 0.992 29.711 28.738 -0.031 0.000 1.196 261 Q HN 0.460 nan 8.270 nan 0.000 0.402 262 V N 2.308 122.205 119.914 -0.028 0.000 3.243 262 V HA 0.237 4.357 4.120 -0.000 0.000 0.272 262 V C -2.183 173.918 176.094 0.011 0.000 1.896 262 V CA -0.523 61.772 62.300 -0.008 0.000 0.980 262 V CB 2.496 34.298 31.823 -0.034 0.000 1.265 262 V HN 1.085 nan 8.190 nan 0.000 0.475 263 E N 0.706 120.932 120.200 0.043 0.000 2.380 263 E HA 0.731 5.081 4.350 -0.000 0.000 0.281 263 E C -0.658 175.992 176.600 0.083 0.000 0.999 263 E CA -0.623 55.806 56.400 0.048 0.000 0.800 263 E CB 2.177 31.891 29.700 0.024 0.000 1.228 263 E HN 0.486 nan 8.360 nan 0.000 0.436 264 M N 0.583 120.231 119.600 0.080 0.000 2.334 264 M HA 0.481 4.961 4.480 -0.000 0.000 0.219 264 M C -1.122 175.204 176.300 0.044 0.000 1.796 264 M CA -0.076 55.267 55.300 0.072 0.000 1.865 264 M CB 0.553 33.205 32.600 0.087 0.000 1.197 264 M HN 0.594 nan 8.290 nan 0.000 0.904 265 Q N -0.940 118.902 119.800 0.070 0.000 3.573 265 Q HA -0.007 4.333 4.340 -0.000 0.000 0.115 265 Q C -1.587 174.503 176.000 0.151 0.000 1.009 265 Q CA -0.234 55.669 55.803 0.167 0.000 1.237 265 Q CB -0.267 28.485 28.738 0.023 0.000 1.341 265 Q HN 0.347 nan 8.270 nan 0.000 0.578 266 F N 1.530 121.429 119.950 -0.086 0.000 2.415 266 F HA 0.826 5.353 4.527 -0.000 0.000 0.220 266 F C 0.939 176.686 175.800 -0.088 0.000 0.876 266 F CA -0.202 57.789 58.000 -0.015 0.000 1.067 266 F CB 0.111 39.120 39.000 0.015 0.000 2.152 266 F HN 0.620 nan 8.300 nan 0.000 0.651 267 F N -2.973 117.132 119.950 0.258 0.000 4.592 267 F HA 0.393 4.920 4.527 -0.000 0.000 0.337 267 F C 0.352 176.201 175.800 0.083 0.000 1.033 267 F CA 0.394 58.466 58.000 0.120 0.000 0.843 267 F CB 0.186 39.233 39.000 0.079 0.000 1.968 267 F HN 0.326 nan 8.300 nan 0.000 0.491 268 S N -0.719 115.221 115.700 0.401 0.000 4.058 268 S HA -0.059 4.411 4.470 -0.000 0.000 0.631 268 S C 0.005 174.695 174.600 0.150 0.000 1.839 268 S CA 0.500 58.818 58.200 0.197 0.000 3.193 268 S CB -1.438 61.847 63.200 0.142 0.000 0.279 268 S HN 1.029 nan 8.310 nan 0.000 0.898 269 T N -2.350 112.263 114.554 0.098 0.000 3.312 269 T HA 0.437 4.787 4.350 -0.000 0.000 0.266 269 T C 0.213 174.943 174.700 0.050 0.000 0.849 269 T CA 0.867 63.011 62.100 0.073 0.000 0.897 269 T CB 0.876 69.774 68.868 0.050 0.000 1.251 269 T HN 0.873 nan 8.240 nan 0.000 0.564 280 L N -1.686 119.544 121.223 0.011 0.000 2.600 280 L HA 0.903 5.243 4.340 -0.000 0.000 0.257 280 L C -1.283 175.596 176.870 0.015 0.000 1.048 280 L CA -0.134 54.708 54.840 0.003 0.000 0.869 280 L CB 2.091 44.145 42.059 -0.008 0.000 1.482 280 L HN 0.712 nan 8.230 nan 0.000 0.408 281 T N -1.015 113.543 114.554 0.006 0.000 3.284 281 T HA -0.010 4.340 4.350 -0.000 0.000 0.429 281 T C -2.308 172.440 174.700 0.080 0.000 0.770 281 T CA -0.261 61.857 62.100 0.030 0.000 2.268 281 T CB -2.359 66.536 68.868 0.045 0.000 1.717 281 T HN 1.003 nan 8.240 nan 0.000 0.724 282 P HA 0.596 nan 4.420 nan 0.000 0.276 282 P C -0.674 176.892 177.300 0.443 0.000 1.244 282 P CA -0.347 62.899 63.100 0.242 0.000 0.801 282 P CB 0.799 32.589 31.700 0.150 0.000 1.006 283 K N 0.419 121.066 120.400 0.411 0.000 2.740 283 K HA 0.592 4.912 4.320 -0.000 0.000 0.246 283 K C -0.791 175.876 176.600 0.112 0.000 1.021 283 K CA -0.724 55.736 56.287 0.289 0.000 1.021 283 K CB 0.774 33.459 32.500 0.309 0.000 1.233 283 K HN 0.310 nan 8.250 nan 0.000 0.497 284 V N -2.171 117.649 119.914 -0.157 0.000 3.260 284 V HA 0.581 4.701 4.120 -0.000 0.000 0.276 284 V C -1.326 174.470 176.094 -0.497 0.000 1.897 284 V CA -0.776 61.391 62.300 -0.221 0.000 0.976 284 V CB 1.315 33.112 31.823 -0.045 0.000 1.228 284 V HN 0.608 nan 8.190 nan 0.000 0.477 285 V N 1.221 120.949 119.914 -0.310 0.000 5.488 285 V HA 0.298 4.418 4.120 -0.000 0.000 0.240 285 V C -2.028 173.893 176.094 -0.289 0.000 0.998 285 V CA 0.048 62.173 62.300 -0.291 0.000 1.470 285 V CB 0.513 32.153 31.823 -0.304 0.000 0.278 285 V HN 1.186 nan 8.190 nan 0.000 0.438 286 L N 5.964 127.042 121.223 -0.240 0.000 2.319 286 L HA 0.626 4.966 4.340 -0.000 0.000 0.281 286 L C -0.052 176.709 176.870 -0.181 0.000 1.005 286 L CA -0.683 53.950 54.840 -0.346 0.000 0.828 286 L CB 1.345 43.292 42.059 -0.188 0.000 1.227 286 L HN 0.497 nan 8.230 nan 0.000 0.415 287 Y N 1.006 121.302 120.300 -0.006 0.000 2.853 287 Y HA 0.004 4.554 4.550 -0.000 0.000 0.365 287 Y C 1.221 177.117 175.900 -0.007 0.000 1.310 287 Y CA -0.275 57.822 58.100 -0.005 0.000 1.703 287 Y CB 0.159 38.619 38.460 0.001 0.000 1.238 287 Y HN 0.702 nan 8.280 nan 0.000 0.510 288 S N 3.434 119.212 115.700 0.131 0.000 2.494 288 S HA 0.140 4.610 4.470 -0.000 0.000 0.312 288 S C -0.327 174.305 174.600 0.052 0.000 1.121 288 S CA -0.803 57.434 58.200 0.062 0.000 1.068 288 S CB -0.095 63.122 63.200 0.027 0.000 1.141 288 S HN 0.588 nan 8.310 nan 0.000 0.527 289 E N 2.866 123.095 120.200 0.048 0.000 2.227 289 E HA 0.292 4.642 4.350 -0.000 0.000 0.282 289 E C -0.765 175.836 176.600 0.002 0.000 1.015 289 E CA -0.375 56.040 56.400 0.025 0.000 0.823 289 E CB 0.982 30.700 29.700 0.030 0.000 1.081 289 E HN 0.643 nan 8.360 nan 0.000 0.396 290 D N 3.443 123.839 120.400 -0.007 0.000 2.313 290 D HA 0.348 4.988 4.640 -0.000 0.000 0.239 290 D C -0.870 175.418 176.300 -0.019 0.000 1.142 290 D CA -0.340 53.651 54.000 -0.014 0.000 0.847 290 D CB 0.339 41.130 40.800 -0.015 0.000 1.082 290 D HN 0.200 nan 8.370 nan 0.000 0.480 291 V N 0.893 120.792 119.914 -0.024 0.000 3.121 291 V HA 0.531 4.651 4.120 -0.000 0.000 0.308 291 V C -0.992 175.082 176.094 -0.033 0.000 1.492 291 V CA -1.104 61.178 62.300 -0.031 0.000 1.034 291 V CB 1.622 33.420 31.823 -0.042 0.000 1.066 291 V HN 0.356 nan 8.190 nan 0.000 0.472 292 D N 1.137 121.513 120.400 -0.040 0.000 2.460 292 D HA 0.508 5.148 4.640 -0.000 0.000 0.268 292 D C -0.278 175.989 176.300 -0.054 0.000 1.153 292 D CA -0.248 53.730 54.000 -0.035 0.000 0.929 292 D CB 0.390 41.176 40.800 -0.024 0.000 1.015 292 D HN 0.910 nan 8.370 nan 0.000 0.502 293 I N -0.660 119.872 120.570 -0.062 0.000 2.437 293 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 293 I C -0.606 175.484 176.117 -0.046 0.000 0.984 293 I CA -0.742 60.504 61.300 -0.090 0.000 1.214 293 I CB 1.576 39.506 38.000 -0.117 0.000 1.365 293 I HN -0.083 nan 8.210 nan 0.000 0.469 294 E N 2.911 123.099 120.200 -0.020 0.000 2.212 294 E HA 0.442 4.792 4.350 -0.000 0.000 0.270 294 E C -0.766 175.810 176.600 -0.039 0.000 0.956 294 E CA -0.852 55.544 56.400 -0.006 0.000 0.825 294 E CB 1.718 31.436 29.700 0.031 0.000 1.167 294 E HN 0.582 nan 8.360 nan 0.000 0.400 295 T N 2.258 116.789 114.554 -0.038 0.000 2.963 295 T HA 0.324 4.674 4.350 -0.000 0.000 0.343 295 T C -1.939 172.734 174.700 -0.044 0.000 1.146 295 T CA -1.639 60.435 62.100 -0.045 0.000 1.016 295 T CB 0.285 69.143 68.868 -0.017 0.000 1.046 295 T HN 0.345 nan 8.240 nan 0.000 0.496 296 P HA 0.158 nan 4.420 nan 0.000 0.204 296 P C 0.948 178.229 177.300 -0.031 0.000 1.180 296 P CA 0.739 63.811 63.100 -0.047 0.000 0.897 296 P CB 0.068 31.739 31.700 -0.048 0.000 0.737 297 D N 0.419 120.825 120.400 0.010 0.000 2.292 297 D HA -0.123 4.517 4.640 -0.000 0.000 0.205 297 D C 1.090 177.325 176.300 -0.109 0.000 0.994 297 D CA 1.611 55.609 54.000 -0.002 0.000 0.897 297 D CB -0.848 40.010 40.800 0.095 0.000 0.907 297 D HN 0.435 nan 8.370 nan 0.000 0.467 298 T N -3.421 111.053 114.554 -0.133 0.000 2.724 298 T HA 0.545 4.895 4.350 -0.000 0.000 0.274 298 T C -0.122 174.432 174.700 -0.243 0.000 0.984 298 T CA -0.888 61.024 62.100 -0.313 0.000 1.024 298 T CB 2.212 70.966 68.868 -0.190 0.000 1.320 298 T HN 0.373 nan 8.240 nan 0.000 0.555 299 H N -1.128 117.952 119.070 0.018 0.000 4.270 299 H HA 0.731 5.287 4.556 -0.000 0.000 0.426 299 H C -0.580 174.759 175.328 0.018 0.000 1.388 299 H CA -0.860 55.198 56.048 0.017 0.000 0.906 299 H CB 0.894 30.669 29.762 0.022 0.000 1.117 299 H HN 0.645 nan 8.280 nan 0.000 0.791 300 I N -0.896 119.840 120.570 0.276 0.000 3.869 300 I HA 0.437 4.607 4.170 -0.000 0.000 0.260 300 I C -0.391 175.806 176.117 0.134 0.000 1.160 300 I CA -0.393 60.995 61.300 0.147 0.000 1.248 300 I CB 2.133 40.172 38.000 0.065 0.000 1.393 300 I HN 0.711 nan 8.210 nan 0.000 0.473 301 S N -1.116 114.632 115.700 0.079 0.000 4.226 301 S HA 0.165 4.635 4.470 -0.000 0.000 0.206 301 S C -1.474 173.187 174.600 0.102 0.000 1.207 301 S CA -0.184 58.070 58.200 0.090 0.000 1.174 301 S CB -0.374 62.903 63.200 0.128 0.000 1.984 301 S HN 0.449 nan 8.310 nan 0.000 0.668 302 Y N 4.115 124.430 120.300 0.024 0.000 2.576 302 Y HA 0.385 4.935 4.550 -0.000 0.000 0.348 302 Y C 0.002 175.902 175.900 0.000 0.000 1.212 302 Y CA -0.255 57.854 58.100 0.015 0.000 1.683 302 Y CB -0.421 38.059 38.460 0.033 0.000 1.484 302 Y HN 0.286 nan 8.280 nan 0.000 0.477 303 M N 8.169 127.541 119.600 -0.380 0.000 2.185 303 M HA 0.217 4.697 4.480 -0.000 0.000 0.357 303 M C -2.233 173.741 176.300 -0.542 0.000 1.260 303 M CA -1.594 53.495 55.300 -0.351 0.000 1.124 303 M CB 1.278 33.761 32.600 -0.194 0.000 1.600 303 M HN 0.381 nan 8.290 nan 0.000 0.467 304 P HA 0.225 nan 4.420 nan 0.000 0.205 304 P C -1.107 176.088 177.300 -0.174 0.000 1.858 304 P CA -0.006 62.918 63.100 -0.293 0.000 0.998 304 P CB -0.446 31.138 31.700 -0.193 0.000 1.875 305 T N -0.670 113.783 114.554 -0.169 0.000 0.541 305 T HA -0.234 4.116 4.350 -0.000 0.000 0.774 305 T C -0.086 174.565 174.700 -0.083 0.000 0.992 305 T CA -0.171 61.865 62.100 -0.107 0.000 4.077 305 T CB -1.042 67.778 68.868 -0.080 0.000 2.303 305 T HN 0.245 nan 8.240 nan 0.000 0.398 306 I N 1.315 121.849 120.570 -0.060 0.000 3.217 306 I HA 0.686 4.856 4.170 -0.000 0.000 0.308 306 I C 0.407 176.511 176.117 -0.023 0.000 1.091 306 I CA -0.907 60.370 61.300 -0.039 0.000 1.013 306 I CB 1.273 39.253 38.000 -0.034 0.000 1.250 306 I HN 0.788 nan 8.210 nan 0.000 0.496 307 K N 2.700 123.095 120.400 -0.009 0.000 2.614 307 K HA 0.110 4.430 4.320 -0.000 0.000 0.190 307 K C -0.835 175.770 176.600 0.008 0.000 1.255 307 K CA -0.003 56.284 56.287 0.000 0.000 1.099 307 K CB 0.310 32.814 32.500 0.007 0.000 1.023 307 K HN 0.714 nan 8.250 nan 0.000 0.576 308 E N 0.862 121.066 120.200 0.007 0.000 2.369 308 E HA -0.280 4.070 4.350 -0.000 0.000 0.165 308 E C 0.233 176.843 176.600 0.017 0.000 1.622 308 E CA 1.333 57.739 56.400 0.009 0.000 0.660 308 E CB -2.063 27.640 29.700 0.006 0.000 1.085 308 E HN 0.525 nan 8.360 nan 0.000 0.346 309 G N 2.248 111.062 108.800 0.024 0.000 2.169 309 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.173 309 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.173 309 G C -0.473 174.458 174.900 0.051 0.000 2.429 309 G CA -0.094 45.024 45.100 0.031 0.000 1.467 309 G HN 0.559 nan 8.290 nan 0.000 0.454 310 N N -0.182 118.558 118.700 0.067 0.000 2.284 310 N HA 0.755 5.495 4.740 -0.000 0.000 0.289 310 N C -0.439 175.149 175.510 0.130 0.000 1.179 310 N CA -0.116 53.002 53.050 0.115 0.000 0.774 310 N CB 2.464 41.023 38.487 0.121 0.000 1.548 310 N HN 0.520 nan 8.380 nan 0.000 0.473 311 S N -0.008 115.812 115.700 0.200 0.000 3.516 311 S HA 0.515 4.985 4.470 -0.000 0.000 0.288 311 S C 0.626 175.325 174.600 0.166 0.000 1.051 311 S CA -0.563 57.715 58.200 0.129 0.000 1.109 311 S CB 1.572 64.796 63.200 0.041 0.000 1.338 311 S HN 0.664 nan 8.310 nan 0.000 0.743 312 R N 0.436 120.817 120.500 -0.198 0.000 2.756 312 R HA 0.347 4.687 4.340 -0.000 0.000 0.170 312 R C -0.427 175.011 176.300 -1.436 0.000 0.800 312 R CA 0.276 55.902 56.100 -0.790 0.000 1.052 312 R CB 0.353 30.399 30.300 -0.424 0.000 1.437 312 R HN 0.489 nan 8.270 nan 0.000 0.607 313 E N 1.440 121.245 120.200 -0.658 0.000 2.489 313 E HA 0.261 4.611 4.350 -0.000 0.000 0.232 313 E C -1.435 175.025 176.600 -0.234 0.000 0.990 313 E CA -0.238 55.886 56.400 -0.458 0.000 0.768 313 E CB 0.967 30.489 29.700 -0.298 0.000 1.270 313 E HN 0.227 nan 8.360 nan 0.000 0.423 314 L N 4.001 125.135 121.223 -0.149 0.000 2.333 314 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 314 L C 0.418 177.278 176.870 -0.017 0.000 1.004 314 L CA 0.012 54.828 54.840 -0.040 0.000 0.820 314 L CB 1.507 43.586 42.059 0.033 0.000 1.247 314 L HN 0.580 nan 8.230 nan 0.000 0.416 315 M N 1.750 121.332 119.600 -0.030 0.000 1.728 315 M HA 0.218 4.698 4.480 -0.000 0.000 0.337 315 M C 0.704 176.999 176.300 -0.008 0.000 0.845 315 M CA 0.221 55.506 55.300 -0.025 0.000 1.132 315 M CB 0.638 33.206 32.600 -0.054 0.000 2.233 315 M HN 0.506 nan 8.290 nan 0.000 0.808 316 G N 4.319 113.111 108.800 -0.013 0.000 2.635 316 G HA2 0.349 4.309 3.960 -0.000 0.000 0.289 316 G HA3 0.349 4.309 3.960 -0.000 0.000 0.289 316 G C -0.548 174.354 174.900 0.003 0.000 0.705 316 G CA 0.582 45.684 45.100 0.003 0.000 2.034 316 G HN 0.634 nan 8.290 nan 0.000 0.519 317 Q N 0.596 120.421 119.800 0.041 0.000 2.849 317 Q HA 0.111 4.451 4.340 -0.000 0.000 0.267 317 Q C -1.472 174.575 176.000 0.079 0.000 0.957 317 Q CA -0.967 54.870 55.803 0.055 0.000 0.856 317 Q CB 0.487 29.240 28.738 0.025 0.000 1.740 317 Q HN 0.397 nan 8.270 nan 0.000 0.441 318 Q N 0.576 120.435 119.800 0.099 0.000 2.207 318 Q HA 0.687 5.027 4.340 -0.000 0.000 0.237 318 Q C -0.580 175.482 176.000 0.103 0.000 0.998 318 Q CA -0.972 54.892 55.803 0.101 0.000 0.951 318 Q CB 1.510 30.309 28.738 0.102 0.000 1.213 318 Q HN 0.638 nan 8.270 nan 0.000 0.499 319 S N 0.880 116.634 115.700 0.089 0.000 2.204 319 S HA 0.233 4.703 4.470 -0.000 0.000 0.147 319 S C -0.473 174.099 174.600 -0.047 0.000 1.711 319 S CA -0.419 57.818 58.200 0.061 0.000 1.274 319 S CB 0.253 63.505 63.200 0.086 0.000 1.257 319 S HN 0.392 nan 8.310 nan 0.000 0.404 320 M N 3.497 123.112 119.600 0.025 0.000 2.356 320 M HA 0.144 4.624 4.480 -0.000 0.000 0.348 320 M C -1.689 174.450 176.300 -0.268 0.000 1.595 320 M CA -1.738 53.546 55.300 -0.027 0.000 1.095 320 M CB 0.045 32.814 32.600 0.281 0.000 1.963 320 M HN 0.207 nan 8.290 nan 0.000 0.459 321 P HA -0.158 nan 4.420 nan 0.000 0.217 321 P C 0.025 177.156 177.300 -0.282 0.000 0.876 321 P CA 1.373 64.307 63.100 -0.276 0.000 1.034 321 P CB 0.316 31.876 31.700 -0.234 0.000 0.655 322 N N -3.987 114.621 118.700 -0.154 0.000 3.261 322 N HA 0.273 5.013 4.740 -0.000 0.000 0.248 322 N C -1.370 174.120 175.510 -0.032 0.000 1.498 322 N CA -0.659 52.335 53.050 -0.093 0.000 0.884 322 N CB 0.823 39.250 38.487 -0.100 0.000 1.428 322 N HN -0.195 nan 8.380 nan 0.000 0.517 323 R N 0.585 121.075 120.500 -0.015 0.000 2.368 323 R HA 0.520 4.860 4.340 -0.000 0.000 0.302 323 R C -2.214 174.075 176.300 -0.018 0.000 1.002 323 R CA -1.579 54.471 56.100 -0.084 0.000 0.929 323 R CB 1.322 31.540 30.300 -0.137 0.000 1.073 323 R HN 0.368 nan 8.270 nan 0.000 0.464 324 P HA 0.082 nan 4.420 nan 0.000 0.293 324 P C -1.419 176.042 177.300 0.268 0.000 1.313 324 P CA -0.292 62.952 63.100 0.240 0.000 0.787 324 P CB 0.784 32.773 31.700 0.482 0.000 0.910 325 N N 4.112 123.036 118.700 0.374 0.000 2.664 325 N HA 0.150 4.890 4.740 -0.000 0.000 0.257 325 N C -1.397 174.385 175.510 0.454 0.000 1.108 325 N CA -0.397 52.866 53.050 0.354 0.000 0.822 325 N CB 0.558 39.212 38.487 0.278 0.000 1.199 325 N HN 0.303 nan 8.380 nan 0.000 0.529 326 Y N 2.245 122.640 120.300 0.159 0.000 2.327 326 Y HA 0.343 4.893 4.550 -0.000 0.000 0.336 326 Y C 0.782 176.713 175.900 0.052 0.000 1.035 326 Y CA -0.991 57.184 58.100 0.126 0.000 1.165 326 Y CB 1.305 39.849 38.460 0.140 0.000 1.181 326 Y HN 0.349 nan 8.280 nan 0.000 0.494 327 I N 3.921 124.552 120.570 0.101 0.000 2.212 327 I HA 0.103 4.273 4.170 -0.000 0.000 0.285 327 I C 1.031 177.160 176.117 0.021 0.000 1.116 327 I CA 0.398 61.696 61.300 -0.003 0.000 1.644 327 I CB -0.431 37.483 38.000 -0.144 0.000 1.485 327 I HN 0.775 nan 8.210 nan 0.000 0.728 328 A N 3.909 126.774 122.820 0.074 0.000 1.935 328 A HA 0.299 4.619 4.320 -0.000 0.000 0.211 328 A C 0.463 178.135 177.584 0.146 0.000 1.388 328 A CA 0.914 52.988 52.037 0.061 0.000 0.600 328 A CB 0.035 19.068 19.000 0.055 0.000 1.011 328 A HN 0.409 nan 8.150 nan 0.000 0.481 329 F N -2.365 117.560 119.950 -0.041 0.000 2.461 329 F HA 0.072 4.599 4.527 -0.000 0.000 0.285 329 F C -0.677 175.103 175.800 -0.033 0.000 0.901 329 F CA -0.992 56.994 58.000 -0.023 0.000 0.847 329 F CB -0.525 38.468 39.000 -0.010 0.000 2.144 329 F HN 0.390 nan 8.300 nan 0.000 0.529 330 R N 4.512 125.324 120.500 0.519 0.000 3.491 330 R HA -0.010 4.330 4.340 -0.000 0.000 0.269 330 R C 0.594 176.853 176.300 -0.069 0.000 0.661 330 R CA 1.489 57.689 56.100 0.167 0.000 1.041 330 R CB -0.439 29.980 30.300 0.198 0.000 0.934 330 R HN 0.586 nan 8.270 nan 0.000 0.360 331 D N 1.771 122.124 120.400 -0.078 0.000 3.599 331 D HA -0.318 4.322 4.640 -0.000 0.000 0.221 331 D C -0.148 176.013 176.300 -0.231 0.000 1.854 331 D CA 1.154 55.066 54.000 -0.146 0.000 0.941 331 D CB 0.128 40.857 40.800 -0.119 0.000 0.730 331 D HN 0.567 nan 8.370 nan 0.000 0.816 332 N N 1.019 119.616 118.700 -0.172 0.000 2.210 332 N HA -0.158 4.582 4.740 -0.000 0.000 0.285 332 N C -0.110 175.352 175.510 -0.080 0.000 1.277 332 N CA 0.516 53.510 53.050 -0.095 0.000 1.131 332 N CB -0.839 37.654 38.487 0.009 0.000 1.495 332 N HN 0.311 nan 8.380 nan 0.000 0.483 333 F N -0.899 118.935 119.950 -0.193 0.000 3.019 333 F HA -0.256 4.271 4.527 -0.000 0.000 0.259 333 F C 0.884 176.366 175.800 -0.529 0.000 0.976 333 F CA 0.088 57.867 58.000 -0.367 0.000 0.876 333 F CB -1.593 37.416 39.000 0.015 0.000 0.784 333 F HN 0.421 nan 8.300 nan 0.000 0.786 334 I N 1.121 121.364 120.570 -0.546 0.000 2.311 334 I HA 0.404 4.574 4.170 -0.000 0.000 0.297 334 I C 0.859 176.727 176.117 -0.415 0.000 1.131 334 I CA 0.561 61.636 61.300 -0.375 0.000 1.289 334 I CB 0.012 37.865 38.000 -0.244 0.000 1.446 334 I HN 0.430 nan 8.210 nan 0.000 0.524 335 G N 6.678 115.366 108.800 -0.188 0.000 2.194 335 G HA2 0.279 4.239 3.960 -0.000 0.000 0.178 335 G HA3 0.279 4.239 3.960 -0.000 0.000 0.178 335 G C -0.918 174.018 174.900 0.059 0.000 2.173 335 G CA -0.467 44.660 45.100 0.045 0.000 1.042 335 G HN 0.415 nan 8.290 nan 0.000 0.588 336 L N 0.364 121.605 121.223 0.029 0.000 2.969 336 L HA 0.689 5.029 4.340 -0.000 0.000 0.197 336 L C 1.483 178.398 176.870 0.074 0.000 1.540 336 L CA -0.424 54.441 54.840 0.043 0.000 1.275 336 L CB -1.369 40.679 42.059 -0.018 0.000 1.787 336 L HN 0.421 nan 8.230 nan 0.000 0.541 337 M N -0.287 119.346 119.600 0.056 0.000 1.663 337 M HA -0.007 4.473 4.480 -0.000 0.000 0.082 337 M C -0.627 175.723 176.300 0.083 0.000 1.001 337 M CA 1.547 56.717 55.300 -0.216 0.000 0.329 337 M CB -0.351 31.646 32.600 -1.006 0.000 0.625 337 M HN 0.354 nan 8.290 nan 0.000 0.181 338 Y N -0.260 120.145 120.300 0.176 0.000 2.592 338 Y HA 0.343 4.893 4.550 -0.000 0.000 0.354 338 Y C -1.468 174.608 175.900 0.293 0.000 1.063 338 Y CA -0.480 57.752 58.100 0.220 0.000 1.205 338 Y CB 0.344 38.855 38.460 0.084 0.000 1.106 338 Y HN 0.286 nan 8.280 nan 0.000 0.649 339 Y N 2.127 122.641 120.300 0.357 0.000 2.393 339 Y HA 0.195 4.745 4.550 -0.000 0.000 0.338 339 Y C 0.738 176.799 175.900 0.268 0.000 1.029 339 Y CA -0.191 58.124 58.100 0.358 0.000 1.239 339 Y CB 0.451 39.122 38.460 0.352 0.000 1.170 339 Y HN 0.669 nan 8.280 nan 0.000 0.515 340 N N -0.355 118.566 118.700 0.370 0.000 2.994 340 N HA -0.201 4.539 4.740 -0.000 0.000 0.221 340 N C -0.462 175.160 175.510 0.187 0.000 0.900 340 N CA 0.635 53.834 53.050 0.249 0.000 1.008 340 N CB -0.930 37.697 38.487 0.233 0.000 1.053 340 N HN 0.384 nan 8.380 nan 0.000 0.580 341 S N 0.074 115.905 115.700 0.219 0.000 2.617 341 S HA 0.478 4.948 4.470 -0.000 0.000 0.283 341 S C 1.236 175.879 174.600 0.072 0.000 1.189 341 S CA -0.153 58.155 58.200 0.180 0.000 1.036 341 S CB 1.093 64.504 63.200 0.352 0.000 1.014 341 S HN 0.311 nan 8.310 nan 0.000 0.522 342 T N 1.760 116.331 114.554 0.028 0.000 4.763 342 T HA -0.058 4.292 4.350 -0.000 0.000 0.476 342 T C 1.770 176.420 174.700 -0.083 0.000 0.969 342 T CA 0.605 62.693 62.100 -0.020 0.000 1.081 342 T CB -1.047 67.811 68.868 -0.016 0.000 1.221 342 T HN 0.731 nan 8.240 nan 0.000 0.429 343 G N 1.654 110.394 108.800 -0.100 0.000 2.501 343 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 343 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 343 G C 1.036 175.801 174.900 -0.224 0.000 1.114 343 G CA 0.647 45.662 45.100 -0.140 0.000 0.757 343 G HN 0.957 nan 8.290 nan 0.000 0.559 344 N N 0.173 118.697 118.700 -0.294 0.000 2.878 344 N HA 0.222 4.962 4.740 -0.000 0.000 0.282 344 N C 0.174 175.346 175.510 -0.563 0.000 1.284 344 N CA -0.065 52.683 53.050 -0.502 0.000 1.053 344 N CB -0.075 37.985 38.487 -0.711 0.000 1.382 344 N HN 0.326 nan 8.380 nan 0.000 0.529 345 M N -1.885 117.503 119.600 -0.354 0.000 2.819 345 M HA 0.603 5.083 4.480 -0.000 0.000 0.300 345 M C 0.115 176.082 176.300 -0.554 0.000 1.237 345 M CA -0.974 54.149 55.300 -0.295 0.000 0.813 345 M CB 0.680 33.173 32.600 -0.178 0.000 1.755 345 M HN -0.114 nan 8.290 nan 0.000 0.484 346 G N 0.466 108.609 108.800 -1.095 0.000 2.322 346 G HA2 0.608 4.568 3.960 -0.000 0.000 0.309 346 G HA3 0.608 4.568 3.960 -0.000 0.000 0.309 346 G C -0.709 173.498 174.900 -1.156 0.000 1.121 346 G CA -0.654 43.480 45.100 -1.611 0.000 0.886 346 G HN 0.595 nan 8.290 nan 0.000 0.447 347 V N 2.881 122.387 119.914 -0.679 0.000 3.134 347 V HA 0.558 4.678 4.120 -0.000 0.000 0.313 347 V C -0.049 175.886 176.094 -0.265 0.000 1.069 347 V CA -0.963 61.090 62.300 -0.412 0.000 1.048 347 V CB 1.881 33.550 31.823 -0.257 0.000 1.119 347 V HN 0.536 nan 8.190 nan 0.000 0.461 348 L N 1.855 122.984 121.223 -0.157 0.000 2.564 348 L HA 0.658 4.998 4.340 -0.000 0.000 0.259 348 L C -0.188 176.650 176.870 -0.053 0.000 1.101 348 L CA 0.172 54.981 54.840 -0.051 0.000 0.900 348 L CB 0.412 42.421 42.059 -0.083 0.000 1.110 348 L HN 0.895 nan 8.230 nan 0.000 0.468 349 A N 2.120 124.937 122.820 -0.004 0.000 2.468 349 A HA 1.008 5.328 4.320 -0.000 0.000 0.277 349 A C 0.285 177.931 177.584 0.103 0.000 1.203 349 A CA 0.094 52.142 52.037 0.018 0.000 0.932 349 A CB 1.075 20.076 19.000 0.002 0.000 1.438 349 A HN 0.657 nan 8.150 nan 0.000 0.468 350 G N -2.617 106.250 108.800 0.111 0.000 2.753 350 G HA2 0.505 4.465 3.960 -0.000 0.000 0.285 350 G HA3 0.505 4.465 3.960 -0.000 0.000 0.285 350 G C -0.098 174.843 174.900 0.069 0.000 1.344 350 G CA 0.411 45.612 45.100 0.170 0.000 1.050 350 G HN 0.875 nan 8.290 nan 0.000 0.532 351 Q N -2.694 117.121 119.800 0.025 0.000 2.142 351 Q HA 0.264 4.604 4.340 -0.000 0.000 0.216 351 Q C 1.532 177.520 176.000 -0.021 0.000 0.708 351 Q CA 0.427 56.227 55.803 -0.005 0.000 0.879 351 Q CB 0.611 29.339 28.738 -0.018 0.000 1.261 351 Q HN 0.530 nan 8.270 nan 0.000 0.452 352 A N 1.573 124.370 122.820 -0.039 0.000 2.238 352 A HA 0.207 4.527 4.320 -0.000 0.000 0.208 352 A C 1.443 179.019 177.584 -0.013 0.000 1.177 352 A CA 0.978 52.987 52.037 -0.046 0.000 0.804 352 A CB 0.083 19.027 19.000 -0.094 0.000 0.823 352 A HN 0.421 nan 8.150 nan 0.000 0.482 353 S N -1.568 114.136 115.700 0.007 0.000 2.933 353 S HA 0.189 4.659 4.470 -0.000 0.000 0.236 353 S C 0.865 175.479 174.600 0.023 0.000 0.836 353 S CA 0.818 59.033 58.200 0.024 0.000 1.298 353 S CB -0.810 62.419 63.200 0.049 0.000 1.243 353 S HN 0.643 nan 8.310 nan 0.000 0.607 354 Q N 0.466 120.274 119.800 0.013 0.000 1.802 354 Q HA -0.276 4.064 4.340 -0.000 0.000 0.168 354 Q C 0.277 176.281 176.000 0.007 0.000 2.877 354 Q CA 2.304 58.111 55.803 0.007 0.000 0.455 354 Q CB -1.316 27.419 28.738 -0.004 0.000 0.462 354 Q HN 0.571 nan 8.270 nan 0.000 0.419 355 L N 1.307 122.534 121.223 0.006 0.000 2.334 355 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 355 L C 0.706 177.574 176.870 -0.003 0.000 1.020 355 L CA -0.228 54.609 54.840 -0.004 0.000 0.812 355 L CB 1.582 43.633 42.059 -0.013 0.000 1.264 355 L HN 0.441 nan 8.230 nan 0.000 0.439 356 N N 2.115 120.802 118.700 -0.022 0.000 2.284 356 N HA 0.337 5.077 4.740 -0.000 0.000 0.266 356 N C 0.248 175.733 175.510 -0.042 0.000 1.321 356 N CA 1.271 54.298 53.050 -0.038 0.000 0.933 356 N CB 0.539 38.987 38.487 -0.065 0.000 1.067 356 N HN 0.641 nan 8.380 nan 0.000 0.447 357 A N -2.007 120.782 122.820 -0.052 0.000 2.584 357 A HA 0.190 4.510 4.320 -0.000 0.000 0.164 357 A C -0.608 176.977 177.584 0.001 0.000 1.688 357 A CA -0.291 51.724 52.037 -0.036 0.000 1.136 357 A CB -0.438 18.516 19.000 -0.076 0.000 1.290 357 A HN 0.283 nan 8.150 nan 0.000 0.420 358 V N 2.071 121.961 119.914 -0.041 0.000 2.493 358 V HA 0.347 4.467 4.120 -0.000 0.000 0.292 358 V C 0.330 176.410 176.094 -0.023 0.000 1.016 358 V CA 0.829 63.101 62.300 -0.046 0.000 1.097 358 V CB 0.439 32.144 31.823 -0.197 0.000 0.947 358 V HN 0.328 nan 8.190 nan 0.000 0.479 359 V N 3.784 123.741 119.914 0.072 0.000 3.105 359 V HA 0.691 4.811 4.120 -0.000 0.000 0.311 359 V C -1.014 175.145 176.094 0.108 0.000 1.287 359 V CA -0.906 61.434 62.300 0.066 0.000 1.066 359 V CB 2.591 34.474 31.823 0.100 0.000 1.105 359 V HN 0.765 nan 8.190 nan 0.000 0.462 360 D N 1.349 121.808 120.400 0.097 0.000 2.688 360 D HA 0.284 4.924 4.640 -0.000 0.000 0.210 360 D C -1.400 174.960 176.300 0.100 0.000 1.333 360 D CA -0.250 53.831 54.000 0.134 0.000 0.920 360 D CB 2.330 43.217 40.800 0.144 0.000 1.554 360 D HN 0.477 nan 8.370 nan 0.000 0.579 361 L N 3.267 124.547 121.223 0.094 0.000 2.313 361 L HA 0.148 4.488 4.340 -0.000 0.000 0.282 361 L C 1.490 178.399 176.870 0.065 0.000 1.092 361 L CA -0.198 54.681 54.840 0.065 0.000 0.831 361 L CB 0.702 42.790 42.059 0.049 0.000 1.159 361 L HN 0.335 nan 8.230 nan 0.000 0.442 362 Q N 2.583 122.414 119.800 0.052 0.000 2.656 362 Q HA -0.153 4.187 4.340 -0.000 0.000 0.221 362 Q C -0.597 175.417 176.000 0.024 0.000 0.974 362 Q CA 0.817 56.645 55.803 0.043 0.000 0.959 362 Q CB -0.288 28.469 28.738 0.031 0.000 0.989 362 Q HN 0.563 nan 8.270 nan 0.000 0.579 363 D N 0.106 120.524 120.400 0.030 0.000 2.400 363 D HA 0.311 4.951 4.640 -0.000 0.000 0.272 363 D C -0.571 175.754 176.300 0.042 0.000 1.220 363 D CA -0.199 53.812 54.000 0.019 0.000 0.897 363 D CB 0.547 41.350 40.800 0.004 0.000 1.134 363 D HN -0.072 nan 8.370 nan 0.000 0.507 364 R N 1.303 121.843 120.500 0.067 0.000 2.975 364 R HA 0.351 4.691 4.340 -0.000 0.000 0.273 364 R C -1.791 174.602 176.300 0.155 0.000 0.971 364 R CA -0.880 55.273 56.100 0.088 0.000 0.836 364 R CB 1.181 31.525 30.300 0.073 0.000 1.460 364 R HN 0.520 nan 8.270 nan 0.000 0.459 365 N N -1.617 117.167 118.700 0.140 0.000 2.554 365 N HA 0.257 4.997 4.740 -0.000 0.000 0.271 365 N C -0.958 174.608 175.510 0.093 0.000 1.081 365 N CA -0.581 52.579 53.050 0.185 0.000 0.994 365 N CB 2.248 40.861 38.487 0.209 0.000 1.641 365 N HN 0.345 nan 8.380 nan 0.000 0.511 366 T N 0.062 114.711 114.554 0.159 0.000 2.975 366 T HA 0.139 4.489 4.350 -0.000 0.000 0.257 366 T C 0.670 175.409 174.700 0.065 0.000 1.003 366 T CA 0.145 62.385 62.100 0.234 0.000 0.932 366 T CB 0.182 69.486 68.868 0.727 0.000 1.087 366 T HN 0.619 nan 8.240 nan 0.000 0.512 367 E N 0.735 120.882 120.200 -0.088 0.000 2.389 367 E HA 0.231 4.581 4.350 -0.000 0.000 0.199 367 E C 1.110 177.764 176.600 0.091 0.000 0.978 367 E CA 0.126 56.466 56.400 -0.099 0.000 0.912 367 E CB 0.268 29.784 29.700 -0.307 0.000 0.907 367 E HN 0.199 nan 8.360 nan 0.000 0.494 368 L N 0.889 122.120 121.223 0.014 0.000 2.653 368 L HA 0.185 4.525 4.340 -0.000 0.000 0.231 368 L C 1.527 178.380 176.870 -0.029 0.000 1.153 368 L CA 0.317 55.138 54.840 -0.033 0.000 0.933 368 L CB 0.294 42.225 42.059 -0.213 0.000 1.175 368 L HN -0.131 nan 8.230 nan 0.000 0.473 369 S N -0.857 114.815 115.700 -0.045 0.000 2.547 369 S HA 0.003 4.473 4.470 -0.000 0.000 0.235 369 S C 0.388 174.751 174.600 -0.394 0.000 0.980 369 S CA 0.452 58.500 58.200 -0.253 0.000 0.941 369 S CB -0.270 62.725 63.200 -0.341 0.000 0.763 369 S HN 0.400 nan 8.310 nan 0.000 0.532 370 Y N 1.662 121.921 120.300 -0.068 0.000 2.453 370 Y HA 0.340 4.890 4.550 -0.000 0.000 0.344 370 Y C 1.121 176.965 175.900 -0.094 0.000 1.323 370 Y CA -1.002 57.057 58.100 -0.069 0.000 1.526 370 Y CB -0.030 38.385 38.460 -0.076 0.000 1.603 370 Y HN 0.179 nan 8.280 nan 0.000 0.563 371 Q N -0.497 119.368 119.800 0.108 0.000 0.976 371 Q HA -0.373 3.967 4.340 -0.000 0.000 0.388 371 Q C 0.554 176.499 176.000 -0.092 0.000 1.040 371 Q CA 1.777 57.547 55.803 -0.055 0.000 0.466 371 Q CB -1.380 27.252 28.738 -0.176 0.000 5.189 371 Q HN 0.989 nan 8.270 nan 0.000 0.463 372 L N -3.582 117.541 121.223 -0.166 0.000 5.241 372 L HA -0.403 3.937 4.340 -0.000 0.000 0.408 372 L C 1.837 178.669 176.870 -0.063 0.000 0.834 372 L CA 2.159 56.958 54.840 -0.069 0.000 1.936 372 L CB -2.341 39.701 42.059 -0.027 0.000 1.221 372 L HN 0.664 nan 8.230 nan 0.000 0.617 373 L N -1.243 119.934 121.223 -0.077 0.000 2.121 373 L HA 0.123 4.463 4.340 -0.000 0.000 0.200 373 L C 2.205 179.053 176.870 -0.037 0.000 1.132 373 L CA 0.851 55.649 54.840 -0.071 0.000 0.782 373 L CB -1.088 40.935 42.059 -0.061 0.000 0.940 373 L HN 0.205 nan 8.230 nan 0.000 0.458 374 L N 0.649 121.857 121.223 -0.025 0.000 2.671 374 L HA -0.137 4.203 4.340 -0.000 0.000 0.236 374 L C 1.386 178.248 176.870 -0.015 0.000 1.178 374 L CA 1.235 56.066 54.840 -0.014 0.000 0.829 374 L CB -2.158 39.896 42.059 -0.008 0.000 0.956 374 L HN 0.610 nan 8.230 nan 0.000 0.455 375 D N -0.822 119.567 120.400 -0.018 0.000 2.349 375 D HA -0.047 4.593 4.640 -0.000 0.000 0.215 375 D C 1.591 177.916 176.300 0.042 0.000 1.016 375 D CA 0.903 54.908 54.000 0.010 0.000 0.870 375 D CB -0.355 40.458 40.800 0.022 0.000 0.917 375 D HN 0.558 nan 8.370 nan 0.000 0.524 376 S N 0.416 116.132 115.700 0.027 0.000 2.548 376 S HA 0.109 4.579 4.470 -0.000 0.000 0.215 376 S C 1.435 176.050 174.600 0.026 0.000 0.976 376 S CA -0.465 57.754 58.200 0.031 0.000 0.908 376 S CB -0.439 62.771 63.200 0.016 0.000 0.781 376 S HN 0.436 nan 8.310 nan 0.000 0.519 377 I N -0.444 120.138 120.570 0.019 0.000 3.517 377 I HA 0.675 4.845 4.170 -0.000 0.000 0.346 377 I C 0.741 176.868 176.117 0.016 0.000 1.510 377 I CA -0.461 60.850 61.300 0.019 0.000 1.090 377 I CB -0.647 37.360 38.000 0.012 0.000 1.506 377 I HN 0.350 nan 8.210 nan 0.000 0.477 378 G N 1.278 110.090 108.800 0.020 0.000 2.601 378 G HA2 0.134 4.094 3.960 -0.000 0.000 0.080 378 G HA3 0.134 4.094 3.960 -0.000 0.000 0.080 378 G C -1.899 173.009 174.900 0.014 0.000 1.046 378 G CA -0.178 44.930 45.100 0.013 0.000 1.143 378 G HN 0.323 nan 8.290 nan 0.000 0.507 379 D N -1.617 118.781 120.400 -0.003 0.000 2.798 379 D HA 0.788 5.428 4.640 -0.000 0.000 0.308 379 D C -0.037 176.233 176.300 -0.049 0.000 1.187 379 D CA -0.610 53.383 54.000 -0.012 0.000 1.033 379 D CB 1.516 42.298 40.800 -0.029 0.000 1.445 379 D HN 0.216 nan 8.370 nan 0.000 0.550 380 R N -0.259 120.183 120.500 -0.096 0.000 2.521 380 R HA 0.220 4.560 4.340 -0.000 0.000 0.436 380 R C -0.533 175.499 176.300 -0.446 0.000 0.917 380 R CA 0.100 56.066 56.100 -0.224 0.000 1.080 380 R CB 0.539 30.820 30.300 -0.032 0.000 1.530 380 R HN 0.364 nan 8.270 nan 0.000 0.596 381 T N 0.034 114.382 114.554 -0.344 0.000 3.129 381 T HA 0.295 4.645 4.350 -0.000 0.000 0.267 381 T C 0.436 174.927 174.700 -0.348 0.000 1.018 381 T CA -0.084 61.837 62.100 -0.299 0.000 0.903 381 T CB 0.440 69.243 68.868 -0.109 0.000 1.067 381 T HN 0.007 nan 8.240 nan 0.000 0.549 382 R N 1.274 121.505 120.500 -0.448 0.000 2.371 382 R HA 0.521 4.861 4.340 -0.000 0.000 0.312 382 R C -1.601 174.478 176.300 -0.367 0.000 0.980 382 R CA -0.678 55.251 56.100 -0.285 0.000 0.867 382 R CB 1.075 31.293 30.300 -0.137 0.000 1.163 382 R HN 0.124 nan 8.270 nan 0.000 0.492 383 Y N 1.889 122.201 120.300 0.020 0.000 2.487 383 Y HA 0.444 4.994 4.550 -0.000 0.000 0.337 383 Y C -0.166 175.816 175.900 0.137 0.000 1.076 383 Y CA -1.485 56.658 58.100 0.072 0.000 1.115 383 Y CB 1.410 39.887 38.460 0.029 0.000 1.235 383 Y HN 0.473 nan 8.280 nan 0.000 0.468 384 F N 0.444 120.572 119.950 0.297 0.000 2.575 384 F HA 0.681 5.208 4.527 -0.000 0.000 0.330 384 F C 0.192 176.121 175.800 0.215 0.000 1.056 384 F CA -0.544 57.568 58.000 0.186 0.000 0.964 384 F CB 1.362 40.426 39.000 0.108 0.000 1.258 384 F HN 0.533 nan 8.300 nan 0.000 0.484 385 S N 3.231 118.298 115.700 -1.055 0.000 2.232 385 S HA 0.429 4.899 4.470 -0.000 0.000 0.240 385 S C 0.446 174.553 174.600 -0.821 0.000 1.224 385 S CA 0.021 57.736 58.200 -0.808 0.000 1.019 385 S CB -0.005 62.783 63.200 -0.685 0.000 1.039 385 S HN 0.971 nan 8.310 nan 0.000 0.439 386 M N -0.374 118.721 119.600 -0.841 0.000 7.319 386 M HA -0.342 4.138 4.480 -0.000 0.000 0.091 386 M C 0.879 176.511 176.300 -1.114 0.000 0.480 386 M CA 2.036 56.739 55.300 -0.994 0.000 1.311 386 M CB -1.260 30.416 32.600 -1.539 0.000 0.421 386 M HN 0.821 nan 8.290 nan 0.000 0.164 387 W N -0.765 120.186 121.300 -0.582 0.000 2.213 387 W HA -0.285 4.375 4.660 -0.000 0.000 0.350 387 W C 0.758 176.815 176.519 -0.769 0.000 1.467 387 W CA 1.642 58.418 57.345 -0.949 0.000 1.481 387 W CB -0.882 28.534 29.460 -0.073 0.000 1.055 387 W HN 0.682 nan 8.180 nan 0.000 0.473 388 N N -2.034 116.514 118.700 -0.253 0.000 4.569 388 N HA -0.074 4.666 4.740 -0.000 0.000 0.134 388 N C -0.542 174.954 175.510 -0.025 0.000 1.311 388 N CA -0.175 52.739 53.050 -0.226 0.000 1.249 388 N CB -0.495 37.848 38.487 -0.241 0.000 1.682 388 N HN 0.107 nan 8.380 nan 0.000 0.829 389 Q N 0.338 120.198 119.800 0.099 0.000 2.217 389 Q HA 0.444 4.784 4.340 -0.000 0.000 0.226 389 Q C -0.626 175.505 176.000 0.218 0.000 0.875 389 Q CA 0.112 56.066 55.803 0.253 0.000 0.974 389 Q CB 0.610 29.674 28.738 0.542 0.000 1.079 389 Q HN 0.555 nan 8.270 nan 0.000 0.463 390 A N 0.172 122.953 122.820 -0.065 0.000 2.331 390 A HA 0.605 4.925 4.320 -0.000 0.000 0.320 390 A C -0.766 176.569 177.584 -0.416 0.000 1.138 390 A CA -0.441 51.310 52.037 -0.476 0.000 0.790 390 A CB 1.666 20.500 19.000 -0.277 0.000 1.206 390 A HN 0.132 nan 8.150 nan 0.000 0.470 391 V N 1.835 121.428 119.914 -0.534 0.000 3.193 391 V HA 0.305 4.425 4.120 -0.000 0.000 0.320 391 V C 0.319 176.259 176.094 -0.257 0.000 1.112 391 V CA -0.676 61.483 62.300 -0.235 0.000 1.026 391 V CB 1.717 33.526 31.823 -0.024 0.000 1.128 391 V HN 1.052 nan 8.190 nan 0.000 0.452 392 D N 0.174 120.429 120.400 -0.241 0.000 2.228 392 D HA 0.344 4.984 4.640 -0.000 0.000 0.259 392 D C 0.526 176.561 176.300 -0.441 0.000 1.249 392 D CA 0.985 54.793 54.000 -0.320 0.000 0.997 392 D CB 0.854 41.410 40.800 -0.407 0.000 1.151 392 D HN 0.629 nan 8.370 nan 0.000 0.536 393 S N -2.634 112.670 115.700 -0.660 0.000 4.151 393 S HA -0.105 4.365 4.470 -0.000 0.000 0.629 393 S C -1.369 172.889 174.600 -0.571 0.000 1.845 393 S CA 0.509 58.178 58.200 -0.884 0.000 4.071 393 S CB -1.141 61.662 63.200 -0.661 0.000 0.218 393 S HN 0.664 nan 8.310 nan 0.000 0.510 394 Y N 0.029 120.313 120.300 -0.026 0.000 1.517 394 Y HA 0.560 5.110 4.550 -0.000 0.000 0.206 394 Y C -0.794 175.111 175.900 0.009 0.000 1.588 394 Y CA 0.079 58.154 58.100 -0.041 0.000 1.064 394 Y CB -0.660 37.714 38.460 -0.143 0.000 4.983 394 Y HN 0.653 nan 8.280 nan 0.000 0.095 395 D N 1.797 122.463 120.400 0.444 0.000 2.423 395 D HA 0.410 5.050 4.640 -0.000 0.000 0.235 395 D C -2.191 174.301 176.300 0.320 0.000 1.011 395 D CA -2.227 51.924 54.000 0.252 0.000 0.963 395 D CB 2.623 43.508 40.800 0.143 0.000 1.349 395 D HN 0.116 nan 8.370 nan 0.000 0.508 396 P HA -0.154 nan 4.420 nan 0.000 0.217 396 P C 0.489 177.874 177.300 0.142 0.000 1.148 396 P CA 1.740 64.951 63.100 0.184 0.000 0.834 396 P CB 0.106 31.876 31.700 0.116 0.000 0.783 397 D N -2.360 118.070 120.400 0.050 0.000 2.327 397 D HA -0.016 4.624 4.640 -0.000 0.000 0.205 397 D C 0.782 176.926 176.300 -0.261 0.000 0.989 397 D CA -0.025 53.943 54.000 -0.054 0.000 0.873 397 D CB -0.775 40.026 40.800 0.000 0.000 0.955 397 D HN -0.110 nan 8.370 nan 0.000 0.515 398 V N 0.545 120.179 119.914 -0.466 0.000 4.122 398 V HA -0.190 3.930 4.120 -0.000 0.000 0.297 398 V C 1.930 177.436 176.094 -0.980 0.000 1.052 398 V CA -0.012 61.811 62.300 -0.795 0.000 1.130 398 V CB -0.009 31.212 31.823 -1.004 0.000 1.165 398 V HN 0.303 nan 8.190 nan 0.000 0.472 399 R N -0.504 119.467 120.500 -0.882 0.000 1.896 399 R HA -0.287 4.053 4.340 -0.000 0.000 0.151 399 R C 0.519 176.627 176.300 -0.320 0.000 0.916 399 R CA 2.678 58.468 56.100 -0.516 0.000 0.266 399 R CB -1.577 28.515 30.300 -0.347 0.000 0.578 399 R HN 0.690 nan 8.270 nan 0.000 0.235 400 I N 2.600 123.009 120.570 -0.268 0.000 2.291 400 I HA 0.145 4.315 4.170 -0.000 0.000 0.292 400 I C 0.111 176.125 176.117 -0.171 0.000 1.064 400 I CA -0.476 60.740 61.300 -0.139 0.000 1.269 400 I CB 0.451 38.426 38.000 -0.041 0.000 1.418 400 I HN 0.072 nan 8.210 nan 0.000 0.485 401 I N 5.820 126.295 120.570 -0.158 0.000 2.494 401 I HA 0.050 4.220 4.170 -0.000 0.000 0.289 401 I C 0.668 176.710 176.117 -0.125 0.000 1.106 401 I CA 0.243 61.440 61.300 -0.172 0.000 1.369 401 I CB -0.236 37.648 38.000 -0.192 0.000 1.410 401 I HN 0.511 nan 8.210 nan 0.000 0.523 402 E N 5.371 125.503 120.200 -0.112 0.000 1.861 402 E HA 0.145 4.495 4.350 -0.000 0.000 0.263 402 E C -0.332 176.180 176.600 -0.146 0.000 1.137 402 E CA -0.143 56.226 56.400 -0.051 0.000 0.944 402 E CB -0.065 29.657 29.700 0.036 0.000 1.092 402 E HN 0.530 nan 8.360 nan 0.000 0.420 403 N N 2.117 120.720 118.700 -0.161 0.000 2.475 403 N HA 0.002 4.742 4.740 -0.000 0.000 0.267 403 N C -0.426 175.011 175.510 -0.122 0.000 1.169 403 N CA -0.049 52.858 53.050 -0.239 0.000 0.947 403 N CB 0.379 38.813 38.487 -0.089 0.000 1.061 403 N HN 0.505 nan 8.380 nan 0.000 0.466 404 H N 2.316 121.426 119.070 0.066 0.000 2.551 404 H HA 0.315 4.871 4.556 -0.000 0.000 0.238 404 H C 0.880 176.266 175.328 0.097 0.000 1.345 404 H CA -0.512 55.579 56.048 0.072 0.000 1.105 404 H CB -0.130 29.667 29.762 0.059 0.000 1.805 404 H HN 0.792 nan 8.280 nan 0.000 0.553 405 G N 1.898 110.798 108.800 0.167 0.000 2.512 405 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.254 405 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.254 405 G C -0.443 174.588 174.900 0.218 0.000 1.199 405 G CA 0.047 45.248 45.100 0.168 0.000 0.941 405 G HN 0.967 nan 8.290 nan 0.000 0.569 406 T N -2.096 112.569 114.554 0.185 0.000 3.225 406 T HA 0.600 4.950 4.350 -0.000 0.000 0.356 406 T C -1.106 173.664 174.700 0.117 0.000 1.460 406 T CA -0.268 61.940 62.100 0.180 0.000 1.126 406 T CB 2.118 71.040 68.868 0.092 0.000 1.321 406 T HN 0.767 nan 8.240 nan 0.000 0.478 407 E N 2.114 122.385 120.200 0.118 0.000 3.659 407 E HA 0.170 4.520 4.350 -0.000 0.000 0.217 407 E C -0.162 176.466 176.600 0.048 0.000 1.141 407 E CA -0.359 56.088 56.400 0.079 0.000 1.340 407 E CB 0.598 30.353 29.700 0.091 0.000 1.295 407 E HN 0.807 nan 8.360 nan 0.000 0.434 408 D N 0.277 120.686 120.400 0.015 0.000 2.615 408 D HA -0.077 4.563 4.640 -0.000 0.000 0.259 408 D C 1.098 177.385 176.300 -0.022 0.000 0.999 408 D CA 0.102 54.094 54.000 -0.012 0.000 0.938 408 D CB 0.033 40.803 40.800 -0.049 0.000 1.121 408 D HN 0.049 nan 8.370 nan 0.000 0.487 409 E N 1.938 122.125 120.200 -0.022 0.000 2.348 409 E HA -0.229 4.121 4.350 -0.000 0.000 0.234 409 E C 1.074 177.661 176.600 -0.021 0.000 1.110 409 E CA 1.197 57.584 56.400 -0.023 0.000 0.987 409 E CB -0.807 28.887 29.700 -0.009 0.000 0.834 409 E HN 0.379 nan 8.360 nan 0.000 0.468 410 L N 0.570 121.791 121.223 -0.002 0.000 2.342 410 L HA -0.057 4.283 4.340 -0.000 0.000 0.258 410 L C -1.721 175.147 176.870 -0.003 0.000 1.284 410 L CA -0.849 54.000 54.840 0.015 0.000 0.811 410 L CB -0.851 41.228 42.059 0.034 0.000 1.070 410 L HN 0.024 nan 8.230 nan 0.000 0.625 411 P HA 0.141 nan 4.420 nan 0.000 0.225 411 P C -1.209 176.128 177.300 0.062 0.000 1.813 411 P CA -0.175 62.985 63.100 0.100 0.000 1.013 411 P CB -0.573 31.345 31.700 0.363 0.000 1.961 412 N N 1.456 120.073 118.700 -0.137 0.000 2.400 412 N HA 0.123 4.863 4.740 -0.000 0.000 0.267 412 N C -0.236 175.118 175.510 -0.260 0.000 1.208 412 N CA 0.143 53.134 53.050 -0.098 0.000 0.951 412 N CB -0.009 38.421 38.487 -0.095 0.000 1.227 412 N HN 0.279 nan 8.380 nan 0.000 0.488 413 Y N 0.062 120.348 120.300 -0.023 0.000 3.012 413 Y HA 0.594 5.144 4.550 -0.000 0.000 0.324 413 Y C 0.517 176.379 175.900 -0.062 0.000 1.342 413 Y CA -1.097 56.934 58.100 -0.115 0.000 1.076 413 Y CB 1.023 39.280 38.460 -0.339 0.000 1.372 413 Y HN 0.393 nan 8.280 nan 0.000 0.688 414 C N 1.520 120.885 119.300 0.108 0.000 3.079 414 C HA 0.449 4.909 4.460 -0.000 0.000 0.246 414 C C -0.960 174.072 174.990 0.070 0.000 1.025 414 C CA -1.214 57.857 59.018 0.089 0.000 1.081 414 C CB -2.230 25.532 27.740 0.036 0.000 1.757 414 C HN 0.537 nan 8.230 nan 0.000 0.646 415 F N 2.933 122.915 119.950 0.053 0.000 2.640 415 F HA 0.300 4.827 4.527 -0.000 0.000 0.329 415 F C -0.451 175.343 175.800 -0.010 0.000 1.224 415 F CA 0.079 58.084 58.000 0.010 0.000 1.373 415 F CB 0.176 39.160 39.000 -0.026 0.000 1.129 415 F HN 0.369 nan 8.300 nan 0.000 0.610 416 P HA 0.216 nan 4.420 nan 0.000 0.345 416 P C 0.432 177.717 177.300 -0.024 0.000 1.344 416 P CA -0.161 62.969 63.100 0.050 0.000 0.803 416 P CB 0.982 32.704 31.700 0.037 0.000 1.876 417 L N -2.278 118.875 121.223 -0.117 0.000 2.775 417 L HA 0.289 4.629 4.340 -0.000 0.000 0.175 417 L C 2.228 178.905 176.870 -0.321 0.000 1.110 417 L CA 1.322 55.994 54.840 -0.280 0.000 0.862 417 L CB -0.832 40.965 42.059 -0.438 0.000 1.381 417 L HN 0.390 nan 8.230 nan 0.000 0.499 418 G N -0.892 107.752 108.800 -0.261 0.000 2.402 418 G HA2 0.157 4.117 3.960 -0.000 0.000 0.216 418 G HA3 0.157 4.117 3.960 -0.000 0.000 0.216 418 G C 1.115 176.086 174.900 0.118 0.000 1.162 418 G CA 1.185 46.281 45.100 -0.007 0.000 0.777 418 G HN 0.649 nan 8.290 nan 0.000 0.539 419 G N -2.189 106.651 108.800 0.067 0.000 3.898 419 G HA2 0.220 4.180 3.960 -0.000 0.000 0.196 419 G HA3 0.220 4.180 3.960 -0.000 0.000 0.196 419 G C -0.040 174.910 174.900 0.083 0.000 1.322 419 G CA 0.507 45.657 45.100 0.084 0.000 0.942 419 G HN 1.667 nan 8.290 nan 0.000 0.400 420 V N 0.746 120.703 119.914 0.071 0.000 2.912 420 V HA 0.414 4.534 4.120 -0.000 0.000 0.238 420 V C -1.673 174.442 176.094 0.036 0.000 1.859 420 V CA -0.100 62.230 62.300 0.052 0.000 0.800 420 V CB 0.558 32.431 31.823 0.083 0.000 1.233 420 V HN 1.375 nan 8.190 nan 0.000 0.523 421 I N 7.412 127.986 120.570 0.007 0.000 2.396 421 I HA 0.708 4.878 4.170 -0.000 0.000 0.289 421 I C 0.268 176.379 176.117 -0.010 0.000 1.056 421 I CA 1.023 62.327 61.300 0.007 0.000 1.365 421 I CB 0.460 38.459 38.000 -0.002 0.000 1.407 421 I HN 0.790 nan 8.210 nan 0.000 0.509 422 N N 3.895 122.598 118.700 0.006 0.000 3.889 422 N HA -0.057 4.683 4.740 -0.000 0.000 0.106 422 N C -1.266 174.253 175.510 0.015 0.000 0.844 422 N CA -0.099 52.954 53.050 0.005 0.000 3.110 422 N CB -0.210 38.279 38.487 0.002 0.000 1.299 422 N HN 0.646 nan 8.380 nan 0.000 0.804 423 T N -0.313 114.250 114.554 0.015 0.000 2.771 423 T HA 0.457 4.807 4.350 -0.000 0.000 0.291 423 T C 0.747 175.453 174.700 0.009 0.000 0.954 423 T CA -0.619 61.489 62.100 0.014 0.000 1.045 423 T CB 1.959 70.836 68.868 0.015 0.000 0.917 423 T HN 0.069 nan 8.240 nan 0.000 0.484 424 E N 2.663 122.868 120.200 0.008 0.000 3.099 424 E HA 0.503 4.853 4.350 -0.000 0.000 0.259 424 E C -0.450 176.152 176.600 0.003 0.000 1.274 424 E CA -0.861 55.543 56.400 0.006 0.000 1.111 424 E CB 0.325 30.030 29.700 0.008 0.000 1.327 424 E HN 0.577 nan 8.360 nan 0.000 0.652 425 T N 0.601 115.157 114.554 0.003 0.000 2.876 425 T HA 0.612 4.962 4.350 -0.000 0.000 0.289 425 T C -0.375 174.327 174.700 0.004 0.000 1.014 425 T CA -0.717 61.385 62.100 0.003 0.000 0.986 425 T CB 0.912 69.782 68.868 0.002 0.000 1.021 425 T HN 0.468 nan 8.240 nan 0.000 0.458 426 L N -0.992 120.234 121.223 0.005 0.000 3.075 426 L HA 0.845 5.185 4.340 -0.000 0.000 0.310 426 L C -0.944 175.936 176.870 0.017 0.000 0.853 426 L CA -0.950 53.897 54.840 0.010 0.000 1.081 426 L CB 0.177 42.242 42.059 0.010 0.000 1.683 426 L HN 0.689 nan 8.230 nan 0.000 0.354 427 T N -2.036 112.533 114.554 0.026 0.000 2.769 427 T HA 0.583 4.933 4.350 -0.000 0.000 0.306 427 T C -0.916 173.815 174.700 0.051 0.000 1.400 427 T CA -0.977 61.149 62.100 0.044 0.000 1.007 427 T CB 2.013 70.913 68.868 0.055 0.000 1.392 427 T HN 0.793 nan 8.240 nan 0.000 0.500 428 K N 0.118 120.562 120.400 0.074 0.000 2.318 428 K HA 0.803 5.123 4.320 -0.000 0.000 0.243 428 K C -0.375 176.273 176.600 0.080 0.000 1.047 428 K CA -0.817 55.516 56.287 0.077 0.000 0.937 428 K CB 0.495 33.057 32.500 0.104 0.000 1.225 428 K HN 0.219 nan 8.250 nan 0.000 0.506 429 V N -0.276 119.684 119.914 0.077 0.000 3.181 429 V HA 0.388 4.508 4.120 -0.000 0.000 0.314 429 V C -0.966 175.167 176.094 0.066 0.000 1.173 429 V CA -0.947 61.399 62.300 0.077 0.000 1.052 429 V CB 2.225 34.096 31.823 0.079 0.000 1.123 429 V HN 0.555 nan 8.190 nan 0.000 0.454 430 K N 1.268 121.701 120.400 0.055 0.000 2.426 430 K HA 0.517 4.837 4.320 -0.000 0.000 0.251 430 K C -2.283 174.328 176.600 0.017 0.000 0.941 430 K CA -1.619 54.690 56.287 0.037 0.000 0.808 430 K CB 2.427 34.947 32.500 0.034 0.000 1.265 430 K HN 0.344 nan 8.250 nan 0.000 0.432 431 P HA 0.066 nan 4.420 nan 0.000 0.257 431 P C 0.741 178.034 177.300 -0.011 0.000 1.241 431 P CA 0.109 63.207 63.100 -0.003 0.000 0.816 431 P CB 0.513 32.214 31.700 0.003 0.000 1.150 432 K N 0.384 120.781 120.400 -0.006 0.000 2.127 432 K HA -0.090 4.230 4.320 -0.000 0.000 0.208 432 K C 0.225 176.811 176.600 -0.024 0.000 1.047 432 K CA 1.083 57.364 56.287 -0.010 0.000 0.927 432 K CB -1.427 31.071 32.500 -0.004 0.000 0.716 432 K HN 0.076 nan 8.250 nan 0.000 0.450 433 T N 0.629 115.164 114.554 -0.032 0.000 2.713 433 T HA -0.142 4.208 4.350 -0.000 0.000 0.482 433 T C 0.226 174.881 174.700 -0.076 0.000 0.789 433 T CA 0.454 62.517 62.100 -0.062 0.000 2.526 433 T CB -0.994 67.840 68.868 -0.057 0.000 1.658 433 T HN 0.505 nan 8.240 nan 0.000 0.523 434 G N 2.036 110.784 108.800 -0.087 0.000 2.554 434 G HA2 0.362 4.322 3.960 -0.000 0.000 0.238 434 G HA3 0.362 4.322 3.960 -0.000 0.000 0.238 434 G C 0.990 175.821 174.900 -0.115 0.000 1.259 434 G CA 0.307 45.358 45.100 -0.082 0.000 0.843 434 G HN 0.984 nan 8.290 nan 0.000 0.582 435 Q N -0.242 119.507 119.800 -0.085 0.000 1.798 435 Q HA -0.368 3.972 4.340 -0.000 0.000 0.171 435 Q C 0.769 176.712 176.000 -0.094 0.000 2.945 435 Q CA 2.164 57.915 55.803 -0.086 0.000 0.187 435 Q CB -0.928 27.749 28.738 -0.101 0.000 0.218 435 Q HN 0.563 nan 8.270 nan 0.000 0.357 436 E N -0.118 120.003 120.200 -0.133 0.000 2.629 436 E HA 0.118 4.468 4.350 -0.000 0.000 0.203 436 E C 0.444 176.959 176.600 -0.142 0.000 0.939 436 E CA 0.995 57.322 56.400 -0.121 0.000 1.439 436 E CB 0.686 30.318 29.700 -0.115 0.000 1.490 436 E HN 0.764 nan 8.360 nan 0.000 0.804 437 N N -1.693 116.887 118.700 -0.200 0.000 2.050 437 N HA 0.010 4.750 4.740 -0.000 0.000 0.293 437 N C 0.807 176.175 175.510 -0.236 0.000 1.155 437 N CA 0.066 53.000 53.050 -0.193 0.000 0.731 437 N CB 0.139 38.497 38.487 -0.215 0.000 1.741 437 N HN 0.020 nan 8.380 nan 0.000 0.662 438 G N 1.588 110.168 108.800 -0.367 0.000 2.656 438 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.318 438 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.318 438 G C -0.057 174.708 174.900 -0.225 0.000 0.077 438 G CA 0.366 45.238 45.100 -0.380 0.000 1.197 438 G HN 0.463 nan 8.290 nan 0.000 0.570 439 W N 2.068 123.372 121.300 0.006 0.000 1.664 439 W HA 0.386 5.046 4.660 -0.000 0.000 0.545 439 W C 0.782 177.306 176.519 0.008 0.000 0.677 439 W CA -0.212 57.138 57.345 0.008 0.000 2.314 439 W CB -0.366 29.098 29.460 0.007 0.000 1.370 439 W HN 0.758 nan 8.180 nan 0.000 0.206 440 E N 2.692 122.975 120.200 0.138 0.000 2.254 440 E HA 0.478 4.828 4.350 -0.000 0.000 0.258 440 E C 0.114 176.769 176.600 0.092 0.000 1.033 440 E CA -0.977 55.482 56.400 0.099 0.000 0.893 440 E CB 1.025 30.755 29.700 0.050 0.000 1.204 440 E HN 0.133 nan 8.360 nan 0.000 0.425 441 K N 1.627 122.070 120.400 0.072 0.000 2.512 441 K HA 0.384 4.704 4.320 -0.000 0.000 0.263 441 K C -1.664 174.969 176.600 0.056 0.000 0.966 441 K CA -0.781 55.548 56.287 0.069 0.000 0.851 441 K CB 1.813 34.355 32.500 0.071 0.000 1.395 441 K HN 0.511 nan 8.250 nan 0.000 0.440 442 D N 0.245 120.688 120.400 0.071 0.000 2.269 442 D HA 0.599 5.239 4.640 -0.000 0.000 0.244 442 D C -0.718 175.623 176.300 0.068 0.000 0.992 442 D CA -0.411 53.627 54.000 0.063 0.000 0.894 442 D CB 2.008 42.866 40.800 0.098 0.000 1.248 442 D HN 0.732 nan 8.370 nan 0.000 0.468 447 S N -0.708 115.135 115.700 0.238 0.000 2.874 447 S HA 0.346 4.816 4.470 -0.000 0.000 0.318 447 S C -0.263 174.382 174.600 0.075 0.000 1.109 447 S CA -0.340 57.930 58.200 0.117 0.000 0.878 447 S CB 1.253 64.504 63.200 0.085 0.000 1.307 447 S HN 0.286 nan 8.310 nan 0.000 0.592 448 D N 0.431 120.858 120.400 0.045 0.000 2.394 448 D HA 0.148 4.788 4.640 -0.000 0.000 0.226 448 D C -0.109 176.205 176.300 0.024 0.000 0.990 448 D CA 0.643 54.661 54.000 0.030 0.000 0.902 448 D CB 0.343 41.155 40.800 0.019 0.000 1.038 448 D HN 0.548 nan 8.370 nan 0.000 0.499 449 K N 0.911 121.323 120.400 0.019 0.000 2.827 449 K HA 0.287 4.607 4.320 -0.000 0.000 0.186 449 K C -0.653 175.950 176.600 0.005 0.000 1.093 449 K CA -0.521 55.772 56.287 0.011 0.000 0.993 449 K CB 0.192 32.695 32.500 0.006 0.000 1.199 449 K HN -0.331 nan 8.250 nan 0.000 0.598 450 N N 3.199 121.903 118.700 0.006 0.000 3.059 450 N HA -0.043 4.697 4.740 -0.000 0.000 0.321 450 N C -0.430 175.067 175.510 -0.022 0.000 1.224 450 N CA 0.509 53.551 53.050 -0.013 0.000 1.197 450 N CB 0.115 38.590 38.487 -0.021 0.000 1.453 450 N HN 0.626 nan 8.380 nan 0.000 0.544 451 E N 0.292 120.483 120.200 -0.016 0.000 2.556 451 E HA 0.012 4.362 4.350 -0.000 0.000 0.273 451 E C 0.074 176.664 176.600 -0.017 0.000 1.175 451 E CA 0.761 57.154 56.400 -0.012 0.000 1.066 451 E CB 0.587 30.282 29.700 -0.009 0.000 1.036 451 E HN 0.309 nan 8.360 nan 0.000 0.471 452 I N -0.564 120.002 120.570 -0.007 0.000 2.243 452 I HA 0.057 4.227 4.170 -0.000 0.000 0.316 452 I C -1.587 174.535 176.117 0.009 0.000 2.421 452 I CA -0.575 60.722 61.300 -0.004 0.000 0.924 452 I CB 1.302 39.293 38.000 -0.015 0.000 1.786 452 I HN 0.304 nan 8.210 nan 0.000 0.677 453 R N 3.114 123.624 120.500 0.016 0.000 2.476 453 R HA 0.764 5.104 4.340 -0.000 0.000 0.305 453 R C -2.111 174.207 176.300 0.030 0.000 0.965 453 R CA -0.569 55.547 56.100 0.027 0.000 0.867 453 R CB 1.742 32.065 30.300 0.038 0.000 1.176 453 R HN 0.288 nan 8.270 nan 0.000 0.447 454 V N 5.343 125.276 119.914 0.032 0.000 2.318 454 V HA 0.857 4.977 4.120 -0.000 0.000 0.271 454 V C 0.552 176.674 176.094 0.047 0.000 1.030 454 V CA 0.630 62.949 62.300 0.032 0.000 0.844 454 V CB 0.619 32.457 31.823 0.025 0.000 1.015 454 V HN 0.984 nan 8.190 nan 0.000 0.460 455 G N 4.991 113.822 108.800 0.051 0.000 2.399 455 G HA2 0.209 4.169 3.960 -0.000 0.000 0.256 455 G HA3 0.209 4.169 3.960 -0.000 0.000 0.256 455 G C -1.472 173.463 174.900 0.059 0.000 1.236 455 G CA -0.553 44.587 45.100 0.066 0.000 0.914 455 G HN 0.433 nan 8.290 nan 0.000 0.482 456 N N -0.806 117.937 118.700 0.072 0.000 2.653 456 N HA 0.338 5.078 4.740 -0.000 0.000 0.294 456 N C 1.260 176.838 175.510 0.114 0.000 1.305 456 N CA -0.233 52.849 53.050 0.054 0.000 0.827 456 N CB 1.144 39.623 38.487 -0.013 0.000 1.415 456 N HN 0.632 nan 8.380 nan 0.000 0.546 457 N N 0.473 119.244 118.700 0.118 0.000 2.053 457 N HA -0.209 4.531 4.740 -0.000 0.000 0.200 457 N C -0.198 175.452 175.510 0.234 0.000 1.041 457 N CA 1.481 54.648 53.050 0.195 0.000 0.882 457 N CB -0.154 38.544 38.487 0.352 0.000 1.080 457 N HN 0.560 nan 8.380 nan 0.000 0.481 458 F N -0.450 119.468 119.950 -0.052 0.000 2.858 458 F HA -0.226 4.301 4.527 -0.000 0.000 0.362 458 F C 0.836 176.564 175.800 -0.120 0.000 0.996 458 F CA -0.433 57.516 58.000 -0.085 0.000 1.299 458 F CB -1.075 37.904 39.000 -0.034 0.000 1.536 458 F HN 0.262 nan 8.300 nan 0.000 0.684 459 A N 1.579 124.369 122.820 -0.051 0.000 3.155 459 A HA 0.611 4.931 4.320 -0.000 0.000 0.161 459 A C 0.875 178.499 177.584 0.066 0.000 1.282 459 A CA 1.316 53.278 52.037 -0.124 0.000 1.112 459 A CB 0.191 18.822 19.000 -0.616 0.000 1.427 459 A HN 0.494 nan 8.150 nan 0.000 0.696 460 M N -2.748 116.875 119.600 0.038 0.000 2.924 460 M HA 0.364 4.844 4.480 -0.000 0.000 0.271 460 M C -0.547 175.766 176.300 0.022 0.000 1.280 460 M CA -0.485 54.844 55.300 0.048 0.000 0.813 460 M CB 1.405 34.008 32.600 0.004 0.000 1.658 460 M HN 0.687 nan 8.290 nan 0.000 0.467 461 E N 0.465 120.616 120.200 -0.082 0.000 2.875 461 E HA 0.700 5.050 4.350 -0.000 0.000 0.208 461 E C -0.704 175.790 176.600 -0.177 0.000 0.712 461 E CA -0.772 55.498 56.400 -0.217 0.000 1.321 461 E CB 1.799 31.353 29.700 -0.243 0.000 1.796 461 E HN 0.670 nan 8.360 nan 0.000 0.410 462 I N 0.935 121.390 120.570 -0.192 0.000 6.948 462 I HA -0.167 4.003 4.170 -0.000 0.000 0.310 462 I C -1.896 174.149 176.117 -0.121 0.000 1.885 462 I CA -0.248 60.974 61.300 -0.130 0.000 1.979 462 I CB 0.077 38.024 38.000 -0.088 0.000 3.562 462 I HN 0.424 nan 8.210 nan 0.000 0.252 463 N N 8.145 126.793 118.700 -0.086 0.000 2.414 463 N HA 0.467 5.207 4.740 -0.000 0.000 0.256 463 N C 0.491 175.975 175.510 -0.044 0.000 1.029 463 N CA -0.523 52.483 53.050 -0.073 0.000 0.948 463 N CB 1.017 39.463 38.487 -0.069 0.000 1.102 463 N HN 0.468 nan 8.380 nan 0.000 0.496 464 L N 0.746 121.952 121.223 -0.029 0.000 2.645 464 L HA 0.185 4.525 4.340 -0.000 0.000 0.235 464 L C 0.542 177.427 176.870 0.024 0.000 1.150 464 L CA 0.369 55.208 54.840 -0.002 0.000 0.911 464 L CB -0.447 41.616 42.059 0.007 0.000 1.077 464 L HN 0.500 nan 8.230 nan 0.000 0.438 465 N N 0.316 119.028 118.700 0.020 0.000 2.679 465 N HA 0.457 5.197 4.740 -0.000 0.000 0.302 465 N C 0.299 175.815 175.510 0.011 0.000 1.941 465 N CA 0.270 53.368 53.050 0.080 0.000 0.875 465 N CB 0.751 39.297 38.487 0.099 0.000 1.278 465 N HN 0.203 nan 8.380 nan 0.000 0.490 466 A N 0.098 122.937 122.820 0.032 0.000 2.249 466 A HA 0.096 4.416 4.320 -0.000 0.000 0.157 466 A C 1.221 178.873 177.584 0.115 0.000 1.879 466 A CA -0.146 51.874 52.037 -0.027 0.000 1.424 466 A CB -0.099 18.808 19.000 -0.155 0.000 1.616 466 A HN 0.367 nan 8.150 nan 0.000 0.377 467 N N 0.643 119.385 118.700 0.071 0.000 2.004 467 N HA -0.194 4.546 4.740 -0.000 0.000 0.196 467 N C 1.967 177.521 175.510 0.073 0.000 1.064 467 N CA 2.119 55.201 53.050 0.053 0.000 0.855 467 N CB -0.343 38.154 38.487 0.018 0.000 1.056 467 N HN 0.573 nan 8.380 nan 0.000 0.423 468 L N -0.832 120.409 121.223 0.030 0.000 1.956 468 L HA -0.109 4.231 4.340 -0.000 0.000 0.216 468 L C 2.077 179.035 176.870 0.147 0.000 1.073 468 L CA 1.591 56.368 54.840 -0.104 0.000 0.762 468 L CB -1.473 40.481 42.059 -0.175 0.000 0.889 468 L HN 0.289 nan 8.230 nan 0.000 0.433 469 W N 0.408 121.737 121.300 0.047 0.000 2.272 469 W HA -0.329 4.331 4.660 -0.000 0.000 0.344 469 W C 3.204 179.816 176.519 0.155 0.000 1.390 469 W CA 3.165 60.578 57.345 0.115 0.000 1.331 469 W CB -0.321 29.178 29.460 0.064 0.000 1.103 469 W HN 0.116 nan 8.180 nan 0.000 0.470 470 R N -1.046 119.704 120.500 0.417 0.000 2.080 470 R HA -0.058 4.282 4.340 -0.000 0.000 0.222 470 R C 1.190 177.671 176.300 0.301 0.000 1.107 470 R CA 1.167 57.453 56.100 0.309 0.000 0.980 470 R CB -0.777 29.637 30.300 0.190 0.000 0.879 470 R HN 0.070 nan 8.270 nan 0.000 0.439 471 N N 0.047 118.880 118.700 0.223 0.000 2.586 471 N HA -0.079 4.661 4.740 -0.000 0.000 0.206 471 N C -0.162 175.589 175.510 0.401 0.000 1.377 471 N CA 0.650 53.828 53.050 0.213 0.000 0.871 471 N CB 0.111 38.641 38.487 0.071 0.000 1.107 471 N HN 0.148 nan 8.380 nan 0.000 0.462 472 F N -1.950 118.118 119.950 0.197 0.000 2.440 472 F HA 0.230 4.757 4.527 -0.000 0.000 0.341 472 F C 1.130 177.020 175.800 0.150 0.000 0.812 472 F CA -0.365 57.735 58.000 0.167 0.000 1.031 472 F CB -0.245 38.827 39.000 0.121 0.000 0.993 472 F HN -0.132 nan 8.300 nan 0.000 0.667 473 L N -0.512 120.925 121.223 0.356 0.000 2.622 473 L HA -0.086 4.254 4.340 -0.000 0.000 0.233 473 L C 1.286 178.310 176.870 0.257 0.000 1.156 473 L CA 1.541 56.524 54.840 0.238 0.000 0.866 473 L CB -0.823 41.401 42.059 0.274 0.000 0.980 473 L HN 0.369 nan 8.230 nan 0.000 0.448 474 Y N -3.186 117.208 120.300 0.157 0.000 2.476 474 Y HA 0.086 4.636 4.550 -0.000 0.000 0.274 474 Y C 2.207 178.185 175.900 0.129 0.000 1.120 474 Y CA 0.642 58.814 58.100 0.120 0.000 1.214 474 Y CB 0.224 38.746 38.460 0.104 0.000 1.285 474 Y HN 0.033 nan 8.280 nan 0.000 0.520 475 S N 0.090 115.977 115.700 0.312 0.000 2.324 475 S HA -0.089 4.381 4.470 -0.000 0.000 0.210 475 S C 1.530 176.206 174.600 0.126 0.000 1.027 475 S CA 1.332 59.683 58.200 0.252 0.000 0.945 475 S CB -0.862 62.592 63.200 0.424 0.000 0.908 475 S HN 0.620 nan 8.310 nan 0.000 0.496 476 N N 0.746 119.494 118.700 0.079 0.000 2.027 476 N HA -0.165 4.575 4.740 -0.000 0.000 0.200 476 N C 0.804 176.216 175.510 -0.163 0.000 1.042 476 N CA 2.001 54.971 53.050 -0.134 0.000 0.871 476 N CB -0.408 38.016 38.487 -0.105 0.000 1.063 476 N HN 0.543 nan 8.380 nan 0.000 0.438 477 I N -4.853 115.703 120.570 -0.023 0.000 3.775 477 I HA 0.613 4.783 4.170 -0.000 0.000 0.272 477 I C 1.114 177.231 176.117 -0.000 0.000 1.292 477 I CA -0.413 60.893 61.300 0.011 0.000 1.050 477 I CB 0.627 38.616 38.000 -0.019 0.000 1.422 477 I HN 0.083 nan 8.210 nan 0.000 0.561 478 A N -0.130 122.686 122.820 -0.007 0.000 3.925 478 A HA -0.208 4.112 4.320 -0.000 0.000 0.247 478 A C 1.329 178.790 177.584 -0.204 0.000 0.630 478 A CA 1.758 53.716 52.037 -0.133 0.000 1.174 478 A CB -2.409 16.415 19.000 -0.294 0.000 1.222 478 A HN 0.726 nan 8.150 nan 0.000 0.676 479 L N -1.137 119.961 121.223 -0.207 0.000 2.682 479 L HA 0.141 4.481 4.340 -0.000 0.000 0.240 479 L C -0.189 176.262 176.870 -0.697 0.000 1.178 479 L CA 0.702 55.269 54.840 -0.456 0.000 0.970 479 L CB -0.411 41.320 42.059 -0.546 0.000 1.179 479 L HN 0.662 nan 8.230 nan 0.000 0.435 480 Y N -1.159 119.039 120.300 -0.170 0.000 2.720 480 Y HA 0.430 4.980 4.550 -0.000 0.000 0.279 480 Y C -0.262 175.582 175.900 -0.093 0.000 1.013 480 Y CA -0.456 57.569 58.100 -0.125 0.000 1.170 480 Y CB 0.125 38.506 38.460 -0.132 0.000 1.150 480 Y HN -0.117 nan 8.280 nan 0.000 0.596 481 L N 0.457 121.695 121.223 0.025 0.000 2.301 481 L HA 0.709 5.049 4.340 -0.000 0.000 0.249 481 L C -2.086 174.795 176.870 0.019 0.000 1.069 481 L CA -2.254 52.597 54.840 0.019 0.000 0.865 481 L CB 2.052 44.116 42.059 0.008 0.000 1.467 481 L HN 0.071 nan 8.230 nan 0.000 0.419 482 P HA -0.230 nan 4.420 nan 0.000 0.286 482 P C -0.802 176.538 177.300 0.067 0.000 1.576 482 P CA 0.968 64.094 63.100 0.042 0.000 1.219 482 P CB 0.310 32.037 31.700 0.045 0.000 0.630 483 D N -1.347 119.101 120.400 0.080 0.000 2.204 483 D HA 0.004 4.644 4.640 -0.000 0.000 0.337 483 D C 0.057 176.431 176.300 0.124 0.000 1.054 483 D CA 0.303 54.378 54.000 0.125 0.000 0.869 483 D CB 0.278 41.135 40.800 0.096 0.000 1.548 483 D HN 0.142 nan 8.370 nan 0.000 0.530 484 K N 1.224 121.674 120.400 0.083 0.000 3.163 484 K HA 0.340 4.660 4.320 -0.000 0.000 0.186 484 K C -0.230 176.407 176.600 0.063 0.000 1.111 484 K CA -0.091 56.241 56.287 0.074 0.000 0.918 484 K CB 1.460 33.992 32.500 0.053 0.000 1.059 484 K HN 0.316 nan 8.250 nan 0.000 0.558 485 L N -1.349 119.916 121.223 0.070 0.000 1.316 485 L HA 0.122 4.462 4.340 -0.000 0.000 0.075 485 L C -0.348 176.564 176.870 0.071 0.000 1.511 485 L CA -0.105 54.760 54.840 0.041 0.000 1.115 485 L CB 0.103 42.180 42.059 0.030 0.000 2.255 485 L HN 0.022 nan 8.230 nan 0.000 0.443 486 K N 3.125 123.586 120.400 0.101 0.000 2.591 486 K HA -0.057 4.263 4.320 -0.000 0.000 0.222 486 K C -0.627 176.138 176.600 0.275 0.000 1.070 486 K CA 0.066 56.461 56.287 0.180 0.000 1.187 486 K CB -1.161 31.399 32.500 0.100 0.000 1.124 486 K HN 0.416 nan 8.250 nan 0.000 0.243 487 Y N -0.924 119.362 120.300 -0.023 0.000 2.944 487 Y HA -0.115 4.435 4.550 -0.000 0.000 0.340 487 Y C 0.289 176.145 175.900 -0.073 0.000 1.275 487 Y CA -0.721 57.361 58.100 -0.030 0.000 1.590 487 Y CB 0.118 38.572 38.460 -0.010 0.000 1.218 487 Y HN 0.039 nan 8.280 nan 0.000 0.576 488 S N 7.258 122.850 115.700 -0.180 0.000 2.973 488 S HA -0.011 4.459 4.470 -0.000 0.000 0.357 488 S C -2.008 172.315 174.600 -0.462 0.000 1.159 488 S CA -0.777 57.216 58.200 -0.345 0.000 1.423 488 S CB -0.463 62.582 63.200 -0.260 0.000 1.115 488 S HN 0.534 nan 8.310 nan 0.000 0.563 489 P HA -0.085 nan 4.420 nan 0.000 0.140 489 P C -0.376 176.722 177.300 -0.338 0.000 0.817 489 P CA 0.325 63.085 63.100 -0.567 0.000 1.248 489 P CB -0.868 30.650 31.700 -0.303 0.000 1.542 490 S N 3.090 118.592 115.700 -0.330 0.000 2.946 490 S HA -0.050 4.420 4.470 -0.000 0.000 0.349 490 S C 1.209 175.768 174.600 -0.068 0.000 1.189 490 S CA 0.339 58.457 58.200 -0.136 0.000 1.285 490 S CB -0.483 62.684 63.200 -0.055 0.000 1.010 490 S HN 0.488 nan 8.310 nan 0.000 0.538 491 N N -0.411 118.239 118.700 -0.083 0.000 2.463 491 N HA -0.120 4.620 4.740 -0.000 0.000 0.294 491 N C -0.110 175.335 175.510 -0.108 0.000 1.653 491 N CA 0.944 53.940 53.050 -0.090 0.000 3.277 491 N CB -0.742 37.681 38.487 -0.107 0.000 1.520 491 N HN 0.446 nan 8.380 nan 0.000 1.132 492 V N 0.021 119.872 119.914 -0.105 0.000 3.488 492 V HA 0.641 4.761 4.120 -0.000 0.000 0.291 492 V C 0.468 176.518 176.094 -0.074 0.000 1.163 492 V CA -0.577 61.666 62.300 -0.095 0.000 0.971 492 V CB 1.169 32.930 31.823 -0.103 0.000 1.245 492 V HN 0.167 nan 8.190 nan 0.000 0.456 493 K N 1.179 121.543 120.400 -0.061 0.000 2.484 493 K HA 0.557 4.877 4.320 -0.000 0.000 0.226 493 K C -1.380 175.203 176.600 -0.029 0.000 1.031 493 K CA -0.149 56.115 56.287 -0.037 0.000 1.026 493 K CB 1.005 33.490 32.500 -0.024 0.000 1.412 493 K HN 0.628 nan 8.250 nan 0.000 0.492 494 I N 2.372 122.924 120.570 -0.030 0.000 2.474 494 I HA 0.122 4.292 4.170 -0.000 0.000 0.294 494 I C 0.019 176.180 176.117 0.073 0.000 1.005 494 I CA -0.793 60.506 61.300 -0.002 0.000 1.113 494 I CB 2.400 40.329 38.000 -0.119 0.000 1.289 494 I HN 0.596 nan 8.210 nan 0.000 0.436 495 S N 3.728 119.507 115.700 0.132 0.000 2.452 495 S HA 0.227 4.697 4.470 -0.000 0.000 0.284 495 S C 0.029 174.747 174.600 0.196 0.000 1.171 495 S CA -0.866 57.412 58.200 0.129 0.000 1.064 495 S CB 0.805 64.058 63.200 0.089 0.000 0.967 495 S HN 0.487 nan 8.310 nan 0.000 0.484 496 D N 3.503 123.992 120.400 0.148 0.000 2.746 496 D HA -0.052 4.588 4.640 -0.000 0.000 0.233 496 D C -0.403 175.871 176.300 -0.044 0.000 1.120 496 D CA 0.719 54.785 54.000 0.111 0.000 1.421 496 D CB -0.553 40.288 40.800 0.070 0.000 1.142 496 D HN 0.479 nan 8.370 nan 0.000 0.479 497 N N 1.116 119.696 118.700 -0.200 0.000 2.607 497 N HA 0.117 4.857 4.740 -0.000 0.000 0.271 497 N C -2.145 172.906 175.510 -0.764 0.000 1.142 497 N CA -1.201 51.661 53.050 -0.313 0.000 0.810 497 N CB 2.277 40.692 38.487 -0.120 0.000 1.306 497 N HN -0.091 nan 8.380 nan 0.000 0.536 498 P HA -0.063 nan 4.420 nan 0.000 0.226 498 P C 0.169 177.248 177.300 -0.368 0.000 1.146 498 P CA 1.117 63.720 63.100 -0.828 0.000 0.773 498 P CB 0.109 31.584 31.700 -0.375 0.000 0.772 499 N N -1.613 116.935 118.700 -0.253 0.000 2.453 499 N HA 0.072 4.812 4.740 -0.000 0.000 0.270 499 N C -0.131 175.351 175.510 -0.047 0.000 1.195 499 N CA 0.019 53.008 53.050 -0.103 0.000 0.902 499 N CB 0.261 38.707 38.487 -0.069 0.000 1.186 499 N HN -0.042 nan 8.380 nan 0.000 0.510 500 T N -0.999 113.538 114.554 -0.029 0.000 2.932 500 T HA 0.177 4.527 4.350 -0.000 0.000 0.289 500 T C 0.672 175.472 174.700 0.166 0.000 1.039 500 T CA -0.545 61.605 62.100 0.084 0.000 1.024 500 T CB 1.683 70.615 68.868 0.107 0.000 1.090 500 T HN 0.178 nan 8.240 nan 0.000 0.496 501 Y N 2.090 122.426 120.300 0.059 0.000 2.070 501 Y HA -0.166 4.384 4.550 -0.000 0.000 0.280 501 Y C 2.213 178.151 175.900 0.063 0.000 1.148 501 Y CA 2.572 60.705 58.100 0.056 0.000 1.125 501 Y CB 0.118 38.603 38.460 0.043 0.000 0.975 501 Y HN 0.813 nan 8.280 nan 0.000 0.492 502 D N -1.681 118.938 120.400 0.365 0.000 2.363 502 D HA -0.188 4.452 4.640 -0.000 0.000 0.226 502 D C 1.365 177.736 176.300 0.119 0.000 1.020 502 D CA 0.631 54.763 54.000 0.219 0.000 0.892 502 D CB -0.991 39.900 40.800 0.151 0.000 0.900 502 D HN 0.510 nan 8.370 nan 0.000 0.531 503 Y N 0.173 120.490 120.300 0.029 0.000 2.448 503 Y HA 0.212 4.762 4.550 -0.000 0.000 0.289 503 Y C 2.255 178.141 175.900 -0.023 0.000 1.114 503 Y CA 0.731 58.831 58.100 0.000 0.000 1.235 503 Y CB 0.263 38.729 38.460 0.010 0.000 1.045 503 Y HN -0.145 nan 8.280 nan 0.000 0.554 504 M N -1.219 118.456 119.600 0.125 0.000 2.553 504 M HA -0.007 4.473 4.480 -0.000 0.000 0.255 504 M C 1.894 178.138 176.300 -0.093 0.000 1.181 504 M CA 0.957 56.258 55.300 0.001 0.000 1.210 504 M CB -0.391 32.170 32.600 -0.064 0.000 1.280 504 M HN 0.123 nan 8.290 nan 0.000 0.495 505 N N 1.354 119.970 118.700 -0.141 0.000 2.073 505 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 505 N C 1.377 176.839 175.510 -0.079 0.000 1.075 505 N CA 1.708 54.680 53.050 -0.130 0.000 0.866 505 N CB -0.308 38.115 38.487 -0.106 0.000 1.051 505 N HN 0.036 nan 8.380 nan 0.000 0.437 506 K N 0.464 120.822 120.400 -0.070 0.000 2.089 506 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 506 K C 0.918 177.373 176.600 -0.242 0.000 1.048 506 K CA 0.567 56.675 56.287 -0.297 0.000 0.926 506 K CB -0.535 31.835 32.500 -0.217 0.000 0.714 506 K HN 0.299 nan 8.250 nan 0.000 0.448 507 R N 1.494 121.902 120.500 -0.152 0.000 2.638 507 R HA 0.016 4.356 4.340 -0.000 0.000 0.268 507 R C -0.407 175.839 176.300 -0.091 0.000 1.006 507 R CA 0.503 56.516 56.100 -0.145 0.000 1.088 507 R CB 0.481 30.686 30.300 -0.158 0.000 0.950 507 R HN 0.083 nan 8.270 nan 0.000 0.419 508 V N 4.108 123.993 119.914 -0.049 0.000 2.871 508 V HA 0.032 4.152 4.120 -0.000 0.000 0.283 508 V C -0.144 176.023 176.094 0.122 0.000 1.422 508 V CA -0.526 61.789 62.300 0.026 0.000 0.943 508 V CB 1.660 33.504 31.823 0.035 0.000 1.125 508 V HN 0.620 nan 8.190 nan 0.000 0.440 509 V N 5.786 125.811 119.914 0.186 0.000 2.278 509 V HA 0.784 4.904 4.120 -0.000 0.000 0.231 509 V C 0.908 177.129 176.094 0.211 0.000 1.048 509 V CA 1.658 64.171 62.300 0.354 0.000 1.015 509 V CB 0.922 32.837 31.823 0.152 0.000 0.652 509 V HN 2.553 nan 8.190 nan 0.000 0.466 510 A N 0.416 123.283 122.820 0.079 0.000 2.045 510 A HA 0.553 4.873 4.320 -0.000 0.000 0.298 510 A C -2.981 174.620 177.584 0.028 0.000 1.052 510 A CA -0.541 51.522 52.037 0.043 0.000 0.961 510 A CB -0.023 18.953 19.000 -0.039 0.000 1.350 510 A HN 0.454 nan 8.150 nan 0.000 0.352 511 P HA 0.337 nan 4.420 nan 0.000 0.264 511 P C 1.015 178.347 177.300 0.053 0.000 1.537 511 P CA 0.852 64.025 63.100 0.122 0.000 1.189 511 P CB 0.502 32.394 31.700 0.320 0.000 1.687 512 G N 0.757 109.556 108.800 -0.002 0.000 3.274 512 G HA2 0.073 4.033 3.960 -0.000 0.000 0.250 512 G HA3 0.073 4.033 3.960 -0.000 0.000 0.250 512 G C 0.863 175.751 174.900 -0.021 0.000 1.024 512 G CA -0.041 45.042 45.100 -0.029 0.000 0.840 512 G HN 0.303 nan 8.290 nan 0.000 0.522 513 L N 0.236 121.457 121.223 -0.002 0.000 2.145 513 L HA 0.207 4.547 4.340 -0.000 0.000 0.201 513 L C 1.971 178.857 176.870 0.026 0.000 1.075 513 L CA 0.486 55.353 54.840 0.045 0.000 0.773 513 L CB 0.186 42.269 42.059 0.039 0.000 0.936 513 L HN 0.073 nan 8.230 nan 0.000 0.451 514 V N -0.032 119.895 119.914 0.023 0.000 2.670 514 V HA -0.021 4.099 4.120 -0.000 0.000 0.344 514 V C 0.597 176.659 176.094 -0.054 0.000 1.648 514 V CA 0.301 62.623 62.300 0.037 0.000 1.673 514 V CB -0.749 31.135 31.823 0.103 0.000 1.382 514 V HN 0.273 nan 8.190 nan 0.000 0.503 515 D N 1.541 121.750 120.400 -0.318 0.000 2.325 515 D HA 0.092 4.732 4.640 -0.000 0.000 0.234 515 D C 0.932 176.874 176.300 -0.597 0.000 1.122 515 D CA 0.356 54.033 54.000 -0.539 0.000 0.850 515 D CB -0.738 39.554 40.800 -0.847 0.000 0.921 515 D HN 0.685 nan 8.370 nan 0.000 0.513 516 C N 0.195 119.337 119.300 -0.264 0.000 4.545 516 C HA -0.236 4.224 4.460 -0.000 0.000 0.300 516 C C 0.528 175.291 174.990 -0.378 0.000 1.337 516 C CA 0.938 59.870 59.018 -0.143 0.000 2.032 516 C CB -2.720 24.934 27.740 -0.142 0.000 1.236 516 C HN 0.628 nan 8.230 nan 0.000 0.774 517 Y N -3.875 116.366 120.300 -0.098 0.000 2.528 517 Y HA 0.505 5.055 4.550 -0.000 0.000 0.279 517 Y C 0.577 176.438 175.900 -0.065 0.000 1.133 517 Y CA -0.698 57.303 58.100 -0.166 0.000 1.047 517 Y CB -0.956 37.418 38.460 -0.144 0.000 1.353 517 Y HN 0.222 nan 8.280 nan 0.000 0.551 518 I N 3.723 124.601 120.570 0.512 0.000 2.710 518 I HA 0.014 4.184 4.170 -0.000 0.000 0.286 518 I C 0.814 177.009 176.117 0.130 0.000 1.181 518 I CA 1.315 62.754 61.300 0.232 0.000 1.430 518 I CB 0.249 38.385 38.000 0.227 0.000 1.367 518 I HN 0.491 nan 8.210 nan 0.000 0.577 519 N N 3.105 121.810 118.700 0.009 0.000 3.935 519 N HA -0.324 4.416 4.740 -0.000 0.000 0.231 519 N C 0.919 176.462 175.510 0.056 0.000 0.216 519 N CA 1.934 54.975 53.050 -0.014 0.000 3.198 519 N CB -0.878 37.592 38.487 -0.028 0.000 1.320 519 N HN 0.596 nan 8.380 nan 0.000 0.289 520 L N -1.107 120.205 121.223 0.148 0.000 4.552 520 L HA -0.268 4.072 4.340 -0.000 0.000 0.443 520 L C 0.956 177.888 176.870 0.104 0.000 1.104 520 L CA 1.370 56.321 54.840 0.185 0.000 0.959 520 L CB -1.155 41.037 42.059 0.221 0.000 1.818 520 L HN 0.656 nan 8.230 nan 0.000 1.030 521 G N -1.394 107.448 108.800 0.070 0.000 3.774 521 G HA2 0.643 4.603 3.960 -0.000 0.000 0.287 521 G HA3 0.643 4.603 3.960 -0.000 0.000 0.287 521 G C 0.029 174.977 174.900 0.080 0.000 1.030 521 G CA 0.652 45.784 45.100 0.054 0.000 0.824 521 G HN 0.568 nan 8.290 nan 0.000 0.518 522 A N -0.233 122.653 122.820 0.111 0.000 2.573 522 A HA 0.574 4.894 4.320 -0.000 0.000 0.299 522 A C 0.293 177.979 177.584 0.171 0.000 1.060 522 A CA -0.736 51.406 52.037 0.175 0.000 0.736 522 A CB 0.727 19.906 19.000 0.298 0.000 1.280 522 A HN 0.106 nan 8.150 nan 0.000 0.401 523 R N 1.663 122.235 120.500 0.119 0.000 2.340 523 R HA -0.026 4.314 4.340 -0.000 0.000 0.215 523 R C 0.277 176.633 176.300 0.094 0.000 1.017 523 R CA -0.203 55.929 56.100 0.053 0.000 1.111 523 R CB 0.137 30.442 30.300 0.009 0.000 1.049 523 R HN 0.719 nan 8.270 nan 0.000 0.490 524 W N 2.412 123.701 121.300 -0.018 0.000 2.639 524 W HA -0.117 4.543 4.660 -0.000 0.000 0.361 524 W C -0.908 175.592 176.519 -0.032 0.000 1.204 524 W CA 0.749 58.086 57.345 -0.013 0.000 1.221 524 W CB -0.019 29.443 29.460 0.003 0.000 1.261 524 W HN -0.049 nan 8.180 nan 0.000 0.586 525 S N 7.630 123.151 115.700 -0.299 0.000 2.465 525 S HA 0.170 4.640 4.470 -0.000 0.000 0.279 525 S C 0.444 174.848 174.600 -0.326 0.000 1.201 525 S CA -0.842 57.225 58.200 -0.221 0.000 1.053 525 S CB 0.680 63.747 63.200 -0.222 0.000 0.953 525 S HN 0.392 nan 8.310 nan 0.000 0.488 526 L N 3.291 124.511 121.223 -0.005 0.000 3.605 526 L HA -0.198 4.142 4.340 -0.000 0.000 0.434 526 L C 1.449 178.355 176.870 0.059 0.000 1.161 526 L CA 0.944 55.871 54.840 0.146 0.000 0.727 526 L CB 0.168 42.286 42.059 0.099 0.000 1.020 526 L HN 0.820 nan 8.230 nan 0.000 0.781 527 D N 4.038 124.652 120.400 0.357 0.000 2.113 527 D HA -0.199 4.441 4.640 -0.000 0.000 0.206 527 D C 1.222 177.717 176.300 0.325 0.000 0.979 527 D CA 1.479 55.665 54.000 0.309 0.000 0.862 527 D CB -0.060 41.090 40.800 0.583 0.000 1.013 527 D HN 0.546 nan 8.370 nan 0.000 0.455 528 Y N -0.189 120.187 120.300 0.126 0.000 2.473 528 Y HA 0.183 4.733 4.550 -0.000 0.000 0.329 528 Y C 1.488 177.415 175.900 0.045 0.000 1.207 528 Y CA 0.351 58.499 58.100 0.080 0.000 1.266 528 Y CB -0.159 38.342 38.460 0.069 0.000 1.091 528 Y HN 0.181 nan 8.280 nan 0.000 0.501 529 M N -2.554 117.109 119.600 0.104 0.000 2.086 529 M HA 0.252 4.732 4.480 -0.000 0.000 0.301 529 M C 0.793 177.078 176.300 -0.025 0.000 1.034 529 M CA 0.886 56.196 55.300 0.017 0.000 1.122 529 M CB 0.176 32.789 32.600 0.022 0.000 1.969 529 M HN -0.222 nan 8.290 nan 0.000 0.670 530 D N 1.729 122.117 120.400 -0.021 0.000 2.311 530 D HA -0.077 4.563 4.640 -0.000 0.000 0.212 530 D C 0.255 176.582 176.300 0.044 0.000 0.972 530 D CA 0.926 54.897 54.000 -0.048 0.000 0.887 530 D CB -0.348 40.344 40.800 -0.180 0.000 0.915 530 D HN 0.476 nan 8.370 nan 0.000 0.497 531 N N -0.172 118.551 118.700 0.039 0.000 2.585 531 N HA 0.017 4.757 4.740 -0.000 0.000 0.213 531 N C -0.666 174.772 175.510 -0.120 0.000 1.385 531 N CA 0.162 53.189 53.050 -0.038 0.000 0.871 531 N CB 0.225 38.631 38.487 -0.136 0.000 1.154 531 N HN -0.027 nan 8.380 nan 0.000 0.474 532 V N -0.915 118.919 119.914 -0.134 0.000 3.282 532 V HA 0.170 4.290 4.120 -0.000 0.000 0.295 532 V C -0.337 175.582 176.094 -0.292 0.000 1.451 532 V CA -1.489 60.602 62.300 -0.349 0.000 1.062 532 V CB 2.272 33.937 31.823 -0.264 0.000 1.128 532 V HN 0.187 nan 8.190 nan 0.000 0.456 533 N N 2.721 121.137 118.700 -0.474 0.000 2.402 533 N HA 0.191 4.931 4.740 -0.000 0.000 0.259 533 N C -2.083 173.335 175.510 -0.155 0.000 1.167 533 N CA -1.205 51.799 53.050 -0.078 0.000 0.949 533 N CB 1.259 39.781 38.487 0.057 0.000 1.212 533 N HN 0.419 nan 8.380 nan 0.000 0.493 534 P HA 0.117 nan 4.420 nan 0.000 0.258 534 P C -0.910 175.968 177.300 -0.703 0.000 1.559 534 P CA 0.167 62.956 63.100 -0.518 0.000 0.855 534 P CB -0.345 31.004 31.700 -0.584 0.000 1.594 535 F N -0.338 119.586 119.950 -0.044 0.000 2.810 535 F HA 0.252 4.779 4.527 -0.000 0.000 0.353 535 F C 0.496 176.265 175.800 -0.050 0.000 1.227 535 F CA -0.723 57.241 58.000 -0.059 0.000 1.210 535 F CB -0.081 38.879 39.000 -0.066 0.000 1.039 535 F HN -0.128 nan 8.300 nan 0.000 0.509 536 N N 0.443 119.177 118.700 0.057 0.000 3.170 536 N HA 0.099 4.839 4.740 -0.000 0.000 0.305 536 N C 0.059 175.513 175.510 -0.093 0.000 1.499 536 N CA 0.031 53.097 53.050 0.026 0.000 1.110 536 N CB 0.129 38.643 38.487 0.046 0.000 1.390 536 N HN 0.368 nan 8.380 nan 0.000 0.508 537 H N 0.197 119.151 119.070 -0.194 0.000 2.645 537 H HA 0.238 4.794 4.556 -0.000 0.000 0.308 537 H C 0.659 175.849 175.328 -0.229 0.000 1.495 537 H CA -0.284 55.582 56.048 -0.304 0.000 1.518 537 H CB 1.431 31.062 29.762 -0.219 0.000 1.752 537 H HN 0.489 nan 8.280 nan 0.000 0.797 538 H N -1.221 117.718 119.070 -0.218 0.000 2.916 538 H HA 0.350 4.906 4.556 -0.000 0.000 0.262 538 H C 0.947 176.067 175.328 -0.346 0.000 1.178 538 H CA -0.293 55.352 56.048 -0.672 0.000 1.090 538 H CB 1.087 30.543 29.762 -0.511 0.000 1.657 538 H HN 0.277 nan 8.280 nan 0.000 0.601 539 R N 1.082 121.724 120.500 0.236 0.000 2.568 539 R HA 0.002 4.342 4.340 -0.000 0.000 0.254 539 R C 0.105 176.494 176.300 0.149 0.000 0.925 539 R CA -0.054 56.185 56.100 0.233 0.000 1.025 539 R CB 0.534 31.028 30.300 0.323 0.000 1.428 539 R HN 0.189 nan 8.270 nan 0.000 0.573 540 N N 1.742 120.515 118.700 0.121 0.000 2.417 540 N HA -0.067 4.673 4.740 -0.000 0.000 0.272 540 N C 0.784 176.291 175.510 -0.006 0.000 1.304 540 N CA 0.776 53.846 53.050 0.034 0.000 0.906 540 N CB 1.255 39.772 38.487 0.051 0.000 1.135 540 N HN 0.129 nan 8.380 nan 0.000 0.483 541 A N 3.292 126.098 122.820 -0.024 0.000 2.131 541 A HA -0.195 4.125 4.320 -0.000 0.000 0.224 541 A C 1.873 179.397 177.584 -0.100 0.000 1.172 541 A CA 2.041 54.062 52.037 -0.026 0.000 0.672 541 A CB -1.120 17.880 19.000 -0.000 0.000 0.815 541 A HN 0.813 nan 8.150 nan 0.000 0.477 542 G N -2.623 106.105 108.800 -0.121 0.000 2.880 542 G HA2 0.305 4.265 3.960 -0.000 0.000 0.209 542 G HA3 0.305 4.265 3.960 -0.000 0.000 0.209 542 G C 1.018 175.897 174.900 -0.035 0.000 1.157 542 G CA 0.723 45.748 45.100 -0.125 0.000 0.779 542 G HN 0.385 nan 8.290 nan 0.000 0.539 543 L N -0.464 120.771 121.223 0.020 0.000 2.803 543 L HA 0.339 4.679 4.340 -0.000 0.000 0.246 543 L C 1.863 178.872 176.870 0.232 0.000 1.100 543 L CA 0.090 54.985 54.840 0.092 0.000 0.919 543 L CB 0.499 42.563 42.059 0.010 0.000 1.285 543 L HN 0.201 nan 8.230 nan 0.000 0.522 544 R N -0.831 119.778 120.500 0.183 0.000 4.394 544 R HA 0.138 4.478 4.340 -0.000 0.000 0.257 544 R C -0.187 176.307 176.300 0.325 0.000 1.727 544 R CA 0.202 56.482 56.100 0.300 0.000 1.497 544 R CB -0.068 30.356 30.300 0.206 0.000 1.406 544 R HN 0.255 nan 8.270 nan 0.000 0.745 545 Y N 0.432 120.797 120.300 0.108 0.000 2.284 545 Y HA 0.055 4.605 4.550 -0.000 0.000 0.080 545 Y C 0.561 176.455 175.900 -0.010 0.000 1.009 545 Y CA -0.177 57.938 58.100 0.025 0.000 1.766 545 Y CB -0.285 38.153 38.460 -0.037 0.000 1.084 545 Y HN 0.081 nan 8.280 nan 0.000 0.181 546 R N 1.161 121.390 120.500 -0.451 0.000 2.204 546 R HA -0.142 4.198 4.340 -0.000 0.000 0.253 546 R C 1.732 177.897 176.300 -0.225 0.000 1.172 546 R CA 2.429 58.203 56.100 -0.544 0.000 0.994 546 R CB -0.403 29.680 30.300 -0.362 0.000 0.874 546 R HN 0.496 nan 8.270 nan 0.000 0.462 547 S N -0.726 114.948 115.700 -0.044 0.000 2.483 547 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 547 S C 1.202 175.814 174.600 0.020 0.000 1.030 547 S CA 0.133 58.351 58.200 0.031 0.000 0.925 547 S CB 0.340 63.645 63.200 0.175 0.000 0.795 547 S HN 0.124 nan 8.310 nan 0.000 0.511 548 M N 2.321 121.961 119.600 0.067 0.000 3.310 548 M HA 0.351 4.831 4.480 -0.000 0.000 0.233 548 M C -0.015 176.317 176.300 0.053 0.000 1.267 548 M CA -0.033 55.309 55.300 0.069 0.000 1.301 548 M CB -0.069 32.620 32.600 0.148 0.000 1.186 548 M HN 0.394 nan 8.290 nan 0.000 0.515 549 L N -2.966 118.251 121.223 -0.010 0.000 3.524 549 L HA 0.356 4.696 4.340 -0.000 0.000 0.337 549 L C -0.301 176.554 176.870 -0.025 0.000 1.330 549 L CA 0.060 54.883 54.840 -0.028 0.000 0.966 549 L CB 0.322 42.314 42.059 -0.112 0.000 1.395 549 L HN 0.200 nan 8.230 nan 0.000 0.616 550 L N -0.295 120.914 121.223 -0.022 0.000 2.746 550 L HA 0.707 5.047 4.340 -0.000 0.000 0.230 550 L C 1.227 178.082 176.870 -0.026 0.000 1.034 550 L CA 1.009 55.837 54.840 -0.021 0.000 0.922 550 L CB 0.428 42.460 42.059 -0.046 0.000 1.496 550 L HN 0.590 nan 8.230 nan 0.000 0.498 551 G N 1.717 110.496 108.800 -0.035 0.000 2.443 551 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.209 551 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.209 551 G C -0.673 174.215 174.900 -0.020 0.000 1.176 551 G CA 0.068 45.151 45.100 -0.029 0.000 1.074 551 G HN 0.317 nan 8.290 nan 0.000 0.577 552 N N 0.642 119.363 118.700 0.035 0.000 2.628 552 N HA 0.533 5.273 4.740 -0.000 0.000 0.299 552 N C 0.009 175.695 175.510 0.294 0.000 1.834 552 N CA 0.466 53.631 53.050 0.191 0.000 0.871 552 N CB 0.964 39.563 38.487 0.186 0.000 1.377 552 N HN 1.256 nan 8.380 nan 0.000 0.493 553 G N -0.353 108.544 108.800 0.162 0.000 2.530 553 G HA2 0.365 4.325 3.960 -0.000 0.000 0.316 553 G HA3 0.365 4.325 3.960 -0.000 0.000 0.316 553 G C 0.428 175.429 174.900 0.168 0.000 1.298 553 G CA -0.541 44.664 45.100 0.176 0.000 0.948 553 G HN 0.028 nan 8.290 nan 0.000 0.486 554 R N 1.168 121.829 120.500 0.269 0.000 2.277 554 R HA -0.127 4.213 4.340 -0.000 0.000 0.199 554 R C 1.685 178.087 176.300 0.169 0.000 1.020 554 R CA 1.171 57.424 56.100 0.255 0.000 0.911 554 R CB -0.721 29.750 30.300 0.286 0.000 0.725 554 R HN 0.573 nan 8.270 nan 0.000 0.483 555 Y N 1.046 121.349 120.300 0.005 0.000 2.422 555 Y HA -0.214 4.336 4.550 -0.000 0.000 0.268 555 Y C 0.946 176.791 175.900 -0.092 0.000 1.223 555 Y CA 0.624 58.700 58.100 -0.041 0.000 1.438 555 Y CB -0.734 37.708 38.460 -0.031 0.000 0.968 555 Y HN -0.033 nan 8.280 nan 0.000 0.597 556 V N 2.916 122.862 119.914 0.054 0.000 2.901 556 V HA -0.198 3.922 4.120 -0.000 0.000 0.290 556 V C -1.460 174.527 176.094 -0.179 0.000 1.326 556 V CA -0.172 62.106 62.300 -0.037 0.000 1.395 556 V CB 0.157 31.955 31.823 -0.041 0.000 0.849 556 V HN 0.127 nan 8.190 nan 0.000 0.504 557 P HA 0.765 nan 4.420 nan 0.000 0.338 557 P C -1.286 175.864 177.300 -0.250 0.000 1.273 557 P CA -0.428 62.436 63.100 -0.395 0.000 0.778 557 P CB 1.469 33.060 31.700 -0.181 0.000 1.452 558 F N -4.026 115.912 119.950 -0.019 0.000 2.725 558 F HA 0.505 5.032 4.527 -0.000 0.000 0.309 558 F C -1.403 174.411 175.800 0.023 0.000 1.132 558 F CA -1.385 56.613 58.000 -0.004 0.000 0.957 558 F CB 0.158 39.138 39.000 -0.033 0.000 1.286 558 F HN 0.489 nan 8.300 nan 0.000 0.440 559 H N 3.851 123.041 119.070 0.199 0.000 2.782 559 H HA 0.852 5.408 4.556 -0.000 0.000 0.347 559 H C -1.677 173.682 175.328 0.052 0.000 1.038 559 H CA -0.670 55.430 56.048 0.086 0.000 1.255 559 H CB 1.908 31.717 29.762 0.078 0.000 1.623 559 H HN 0.969 nan 8.280 nan 0.000 0.525 560 I N 0.815 121.015 120.570 -0.615 0.000 3.244 560 I HA 0.413 4.583 4.170 -0.000 0.000 0.314 560 I C -1.783 174.092 176.117 -0.404 0.000 1.342 560 I CA -1.212 59.736 61.300 -0.587 0.000 0.925 560 I CB 2.217 39.959 38.000 -0.430 0.000 1.321 560 I HN 0.437 nan 8.210 nan 0.000 0.500 561 Q N 0.614 120.244 119.800 -0.283 0.000 2.553 561 Q HA 0.853 5.193 4.340 -0.000 0.000 0.293 561 Q C -1.390 174.683 176.000 0.121 0.000 1.038 561 Q CA -1.002 54.835 55.803 0.056 0.000 0.777 561 Q CB 3.305 32.378 28.738 0.559 0.000 1.487 561 Q HN 0.572 nan 8.270 nan 0.000 0.426 562 V N 1.256 121.308 119.914 0.229 0.000 2.781 562 V HA 0.541 4.661 4.120 -0.000 0.000 0.289 562 V C -2.861 173.458 176.094 0.374 0.000 1.275 562 V CA -1.639 60.763 62.300 0.169 0.000 0.936 562 V CB 2.281 34.047 31.823 -0.094 0.000 1.074 562 V HN 0.670 nan 8.190 nan 0.000 0.444 563 P HA 0.261 nan 4.420 nan 0.000 0.282 563 P C -0.798 176.470 177.300 -0.053 0.000 1.249 563 P CA -0.198 62.752 63.100 -0.251 0.000 0.806 563 P CB 0.921 32.100 31.700 -0.868 0.000 0.984 564 Q N 1.895 121.709 119.800 0.023 0.000 2.283 564 Q HA -0.033 4.307 4.340 -0.000 0.000 0.301 564 Q C -0.152 175.989 176.000 0.234 0.000 1.063 564 Q CA 1.088 56.982 55.803 0.152 0.000 0.952 564 Q CB 0.073 28.888 28.738 0.128 0.000 1.166 564 Q HN 0.316 nan 8.270 nan 0.000 0.381 565 K N 3.313 123.989 120.400 0.460 0.000 2.847 565 K HA 0.253 4.573 4.320 -0.000 0.000 0.213 565 K C -0.981 176.093 176.600 0.790 0.000 1.174 565 K CA -0.102 56.528 56.287 0.572 0.000 1.095 565 K CB 0.327 32.934 32.500 0.179 0.000 1.581 565 K HN 0.250 nan 8.250 nan 0.000 0.514 566 F N 1.236 121.426 119.950 0.400 0.000 2.507 566 F HA 0.240 4.767 4.527 -0.000 0.000 0.325 566 F C 0.118 175.991 175.800 0.122 0.000 1.116 566 F CA -2.261 55.919 58.000 0.300 0.000 0.930 566 F CB 0.840 39.952 39.000 0.186 0.000 1.146 566 F HN 0.222 nan 8.300 nan 0.000 0.447 567 F N 2.684 122.385 119.950 -0.416 0.000 2.743 567 F HA 0.507 5.034 4.527 -0.000 0.000 0.298 567 F C 0.601 176.189 175.800 -0.353 0.000 1.287 567 F CA 0.424 58.201 58.000 -0.373 0.000 1.436 567 F CB -1.108 37.666 39.000 -0.376 0.000 1.099 567 F HN 0.354 nan 8.300 nan 0.000 0.516 568 A N 0.872 123.381 122.820 -0.518 0.000 2.004 568 A HA 0.326 4.646 4.320 -0.000 0.000 0.175 568 A C 0.416 177.792 177.584 -0.347 0.000 1.902 568 A CA 0.288 51.987 52.037 -0.563 0.000 1.457 568 A CB -0.398 18.264 19.000 -0.562 0.000 1.593 568 A HN 0.427 nan 8.150 nan 0.000 0.363 569 I N -0.886 119.650 120.570 -0.057 0.000 2.479 569 I HA 0.711 4.881 4.170 -0.000 0.000 0.279 569 I C -0.389 175.743 176.117 0.024 0.000 1.102 569 I CA -0.516 60.780 61.300 -0.007 0.000 1.196 569 I CB 0.881 38.922 38.000 0.068 0.000 1.427 569 I HN 0.092 nan 8.210 nan 0.000 0.503 570 K N 2.081 122.474 120.400 -0.011 0.000 2.598 570 K HA 0.308 4.628 4.320 -0.000 0.000 0.185 570 K C 0.042 176.656 176.600 0.023 0.000 1.458 570 K CA -0.240 56.057 56.287 0.017 0.000 1.079 570 K CB -0.376 32.152 32.500 0.048 0.000 1.253 570 K HN 0.480 nan 8.250 nan 0.000 0.592 571 N N -0.034 118.680 118.700 0.023 0.000 2.036 571 N HA 0.136 4.876 4.740 -0.000 0.000 0.228 571 N C -1.007 174.561 175.510 0.097 0.000 1.368 571 N CA -0.228 52.877 53.050 0.092 0.000 0.846 571 N CB 1.215 39.830 38.487 0.213 0.000 1.145 571 N HN -0.052 nan 8.380 nan 0.000 0.502 572 L N 2.107 123.347 121.223 0.028 0.000 2.331 572 L HA 0.611 4.951 4.340 -0.000 0.000 0.275 572 L C -1.023 175.862 176.870 0.025 0.000 1.022 572 L CA -0.394 54.464 54.840 0.029 0.000 0.812 572 L CB 1.600 43.636 42.059 -0.038 0.000 1.257 572 L HN -0.045 nan 8.230 nan 0.000 0.435 573 L N 3.711 124.960 121.223 0.044 0.000 2.424 573 L HA 0.643 4.983 4.340 -0.000 0.000 0.258 573 L C -0.719 176.173 176.870 0.036 0.000 0.995 573 L CA -0.596 54.274 54.840 0.049 0.000 0.821 573 L CB 1.623 43.741 42.059 0.098 0.000 1.383 573 L HN 0.305 nan 8.230 nan 0.000 0.410 574 L N 1.459 122.697 121.223 0.025 0.000 2.319 574 L HA 0.742 5.082 4.340 -0.000 0.000 0.267 574 L C -1.018 175.903 176.870 0.084 0.000 1.011 574 L CA -0.450 54.398 54.840 0.014 0.000 0.818 574 L CB 1.836 43.834 42.059 -0.100 0.000 1.316 574 L HN 0.521 nan 8.230 nan 0.000 0.432 575 L N 3.338 124.624 121.223 0.104 0.000 2.399 575 L HA 0.537 4.877 4.340 -0.000 0.000 0.265 575 L C -1.854 175.127 176.870 0.186 0.000 1.089 575 L CA -1.956 52.963 54.840 0.132 0.000 0.802 575 L CB 0.504 42.627 42.059 0.106 0.000 1.180 575 L HN 0.518 nan 8.230 nan 0.000 0.454 576 P HA -0.094 nan 4.420 nan 0.000 0.278 576 P C 0.226 177.544 177.300 0.030 0.000 1.259 576 P CA 0.929 64.067 63.100 0.063 0.000 0.843 576 P CB 0.262 31.974 31.700 0.019 0.000 0.821 577 G N -1.025 107.700 108.800 -0.125 0.000 2.265 577 G HA2 0.243 4.203 3.960 -0.000 0.000 0.246 577 G HA3 0.243 4.203 3.960 -0.000 0.000 0.246 577 G C -1.553 173.035 174.900 -0.521 0.000 1.299 577 G CA -0.128 44.758 45.100 -0.358 0.000 1.117 577 G HN 0.645 nan 8.290 nan 0.000 0.485 578 S N -0.053 115.121 115.700 -0.878 0.000 2.706 578 S HA 0.740 5.210 4.470 -0.000 0.000 0.270 578 S C -1.061 173.148 174.600 -0.651 0.000 1.163 578 S CA -0.631 57.206 58.200 -0.605 0.000 1.042 578 S CB 1.068 64.092 63.200 -0.294 0.000 1.079 578 S HN 0.850 nan 8.310 nan 0.000 0.474 579 Y N 0.561 120.852 120.300 -0.014 0.000 3.048 579 Y HA 0.857 5.407 4.550 -0.000 0.000 0.305 579 Y C 1.137 177.040 175.900 0.005 0.000 1.538 579 Y CA -0.718 57.376 58.100 -0.009 0.000 1.082 579 Y CB 0.443 38.894 38.460 -0.015 0.000 1.388 579 Y HN 0.661 nan 8.280 nan 0.000 0.557 580 T N -3.588 111.094 114.554 0.212 0.000 2.574 580 T HA 0.576 4.926 4.350 -0.000 0.000 0.224 580 T C -1.565 173.298 174.700 0.273 0.000 0.792 580 T CA -0.195 62.012 62.100 0.178 0.000 1.317 580 T CB 1.181 70.122 68.868 0.122 0.000 1.590 580 T HN 0.694 nan 8.240 nan 0.000 0.456 581 Y N -0.342 120.011 120.300 0.088 0.000 2.660 581 Y HA 0.687 5.237 4.550 -0.000 0.000 0.289 581 Y C -0.587 175.367 175.900 0.090 0.000 1.673 581 Y CA -0.247 57.924 58.100 0.118 0.000 1.075 581 Y CB 0.368 38.992 38.460 0.273 0.000 3.452 581 Y HN 1.095 nan 8.280 nan 0.000 0.305 582 E N -1.221 118.767 120.200 -0.353 0.000 0.413 582 E HA 0.099 4.449 4.350 -0.000 0.000 0.136 582 E C -1.836 174.549 176.600 -0.357 0.000 2.519 582 E CA 0.302 56.514 56.400 -0.314 0.000 1.491 582 E CB 0.055 29.564 29.700 -0.317 0.000 0.458 582 E HN 0.524 nan 8.360 nan 0.000 0.896 583 W N 0.570 121.581 121.300 -0.482 0.000 3.181 583 W HA -0.087 4.573 4.660 -0.000 0.000 0.320 583 W C -1.612 174.410 176.519 -0.829 0.000 0.126 583 W CA 0.267 57.222 57.345 -0.650 0.000 0.458 583 W CB -1.216 27.795 29.460 -0.747 0.000 2.644 583 W HN 0.613 nan 8.180 nan 0.000 0.420 584 N N 2.360 120.842 118.700 -0.363 0.000 2.342 584 N HA 0.722 5.462 4.740 -0.000 0.000 0.293 584 N C -1.323 173.977 175.510 -0.350 0.000 1.026 584 N CA -0.634 52.224 53.050 -0.321 0.000 0.857 584 N CB 1.681 40.025 38.487 -0.238 0.000 1.256 584 N HN 0.094 nan 8.380 nan 0.000 0.484 585 F N 0.726 120.827 119.950 0.251 0.000 2.467 585 F HA 0.374 4.901 4.527 -0.000 0.000 0.336 585 F C 0.923 176.731 175.800 0.014 0.000 1.123 585 F CA -1.277 56.732 58.000 0.015 0.000 0.964 585 F CB 1.437 40.288 39.000 -0.249 0.000 1.136 585 F HN 0.102 nan 8.300 nan 0.000 0.447 586 R N 3.213 123.725 120.500 0.020 0.000 2.976 586 R HA -0.080 4.260 4.340 -0.000 0.000 0.354 586 R C 0.156 176.456 176.300 -0.000 0.000 0.794 586 R CA 0.315 56.373 56.100 -0.071 0.000 1.085 586 R CB -0.069 30.149 30.300 -0.137 0.000 0.896 586 R HN 0.654 nan 8.270 nan 0.000 0.393 587 K N 2.151 122.573 120.400 0.037 0.000 2.811 587 K HA 0.059 4.379 4.320 -0.000 0.000 0.217 587 K C -0.231 176.342 176.600 -0.046 0.000 1.115 587 K CA -0.123 56.180 56.287 0.027 0.000 1.179 587 K CB 0.283 32.837 32.500 0.090 0.000 0.994 587 K HN 0.402 nan 8.250 nan 0.000 0.464 588 D N 0.363 120.718 120.400 -0.076 0.000 2.252 588 D HA 0.203 4.843 4.640 -0.000 0.000 0.245 588 D C 0.717 177.021 176.300 0.008 0.000 1.009 588 D CA -0.337 53.580 54.000 -0.138 0.000 0.870 588 D CB 2.079 42.806 40.800 -0.122 0.000 1.251 588 D HN -0.009 nan 8.370 nan 0.000 0.460 589 V N 0.344 120.309 119.914 0.086 0.000 3.309 589 V HA 0.155 4.275 4.120 -0.000 0.000 0.268 589 V C 0.849 177.035 176.094 0.152 0.000 1.631 589 V CA 0.080 62.444 62.300 0.107 0.000 1.018 589 V CB -0.814 31.062 31.823 0.088 0.000 0.841 589 V HN 0.655 nan 8.190 nan 0.000 0.418 590 N N 2.625 121.472 118.700 0.245 0.000 2.542 590 N HA 0.331 5.071 4.740 -0.000 0.000 0.234 590 N C 0.221 175.931 175.510 0.333 0.000 1.257 590 N CA 0.201 53.387 53.050 0.227 0.000 0.883 590 N CB -0.019 38.621 38.487 0.256 0.000 1.197 590 N HN 0.805 nan 8.380 nan 0.000 0.488 591 M N -3.809 115.973 119.600 0.303 0.000 3.196 591 M HA 0.338 4.818 4.480 -0.000 0.000 0.279 591 M C -0.842 175.564 176.300 0.178 0.000 1.173 591 M CA -0.853 54.666 55.300 0.364 0.000 0.820 591 M CB 1.054 33.964 32.600 0.515 0.000 1.621 591 M HN -0.153 nan 8.290 nan 0.000 0.521 592 V N -2.503 117.519 119.914 0.180 0.000 0.687 592 V HA -0.313 3.807 4.120 -0.000 0.000 0.092 592 V C -0.015 176.108 176.094 0.048 0.000 0.837 592 V CA 0.635 63.039 62.300 0.173 0.000 3.109 592 V CB -2.065 29.832 31.823 0.123 0.000 0.224 592 V HN 1.193 nan 8.190 nan 0.000 0.155 593 L N 2.313 123.318 121.223 -0.364 0.000 2.848 593 L HA 0.212 4.552 4.340 -0.000 0.000 0.286 593 L C 0.608 177.278 176.870 -0.334 0.000 1.150 593 L CA 1.442 55.758 54.840 -0.874 0.000 0.958 593 L CB -1.020 40.639 42.059 -0.666 0.000 1.322 593 L HN 0.685 nan 8.230 nan 0.000 0.469 594 Q N 2.959 122.659 119.800 -0.167 0.000 2.722 594 Q HA 0.522 4.862 4.340 -0.000 0.000 0.214 594 Q C -0.030 175.944 176.000 -0.042 0.000 1.109 594 Q CA 0.554 56.350 55.803 -0.011 0.000 1.066 594 Q CB 0.675 29.480 28.738 0.112 0.000 1.290 594 Q HN 0.967 nan 8.270 nan 0.000 0.620 595 S N -1.355 114.344 115.700 -0.002 0.000 2.622 595 S HA 0.141 4.611 4.470 -0.000 0.000 0.275 595 S C 0.271 174.900 174.600 0.049 0.000 1.112 595 S CA -0.306 57.915 58.200 0.036 0.000 0.837 595 S CB 0.465 63.673 63.200 0.014 0.000 1.082 595 S HN 0.775 nan 8.310 nan 0.000 0.456 596 S N 0.866 116.629 115.700 0.106 0.000 2.369 596 S HA -0.054 4.416 4.470 -0.000 0.000 0.225 596 S C 0.580 175.225 174.600 0.075 0.000 1.043 596 S CA 1.220 59.493 58.200 0.122 0.000 1.074 596 S CB -0.791 62.539 63.200 0.217 0.000 0.962 596 S HN 0.662 nan 8.310 nan 0.000 0.433 597 L N 0.661 121.906 121.223 0.036 0.000 2.319 597 L HA 0.788 5.128 4.340 -0.000 0.000 0.267 597 L C 0.388 177.194 176.870 -0.106 0.000 1.011 597 L CA -0.247 54.578 54.840 -0.026 0.000 0.818 597 L CB 1.198 43.246 42.059 -0.018 0.000 1.316 597 L HN 0.340 nan 8.230 nan 0.000 0.432 598 G N 0.851 109.537 108.800 -0.191 0.000 2.530 598 G HA2 0.656 4.616 3.960 -0.000 0.000 0.316 598 G HA3 0.656 4.616 3.960 -0.000 0.000 0.316 598 G C -0.977 173.887 174.900 -0.060 0.000 1.298 598 G CA -0.410 44.553 45.100 -0.228 0.000 0.948 598 G HN 0.612 nan 8.290 nan 0.000 0.486 599 N N 0.765 119.454 118.700 -0.018 0.000 2.653 599 N HA 0.479 5.219 4.740 -0.000 0.000 0.294 599 N C -1.045 174.474 175.510 0.015 0.000 1.305 599 N CA -1.039 52.028 53.050 0.029 0.000 0.827 599 N CB 0.814 39.348 38.487 0.079 0.000 1.415 599 N HN 0.339 nan 8.380 nan 0.000 0.546 600 D N -1.149 119.263 120.400 0.019 0.000 2.344 600 D HA 0.412 5.052 4.640 -0.000 0.000 0.244 600 D C 0.174 176.500 176.300 0.044 0.000 1.134 600 D CA -0.113 53.894 54.000 0.013 0.000 0.930 600 D CB 0.574 41.378 40.800 0.006 0.000 1.175 600 D HN 0.598 nan 8.370 nan 0.000 0.437 601 L N 0.935 122.193 121.223 0.059 0.000 3.679 601 L HA 0.284 4.624 4.340 -0.000 0.000 0.342 601 L C 1.782 178.706 176.870 0.090 0.000 1.170 601 L CA -0.465 54.417 54.840 0.071 0.000 1.221 601 L CB -0.018 42.081 42.059 0.065 0.000 1.654 601 L HN 0.159 nan 8.230 nan 0.000 0.628 602 R N 0.350 120.925 120.500 0.124 0.000 2.193 602 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 602 R C 1.903 178.262 176.300 0.098 0.000 1.110 602 R CA 1.056 57.253 56.100 0.162 0.000 0.988 602 R CB -0.221 30.224 30.300 0.241 0.000 0.871 602 R HN 0.211 nan 8.270 nan 0.000 0.458 603 V N 0.786 120.738 119.914 0.064 0.000 3.307 603 V HA -0.023 4.097 4.120 -0.000 0.000 0.253 603 V C -0.261 175.856 176.094 0.039 0.000 1.149 603 V CA 0.576 62.899 62.300 0.038 0.000 1.112 603 V CB 0.224 32.057 31.823 0.018 0.000 0.777 603 V HN 0.121 nan 8.190 nan 0.000 0.464 604 D N 1.603 122.032 120.400 0.049 0.000 2.498 604 D HA 0.275 4.915 4.640 -0.000 0.000 0.229 604 D C 1.157 177.482 176.300 0.041 0.000 1.188 604 D CA 0.500 54.527 54.000 0.046 0.000 1.028 604 D CB 0.151 40.986 40.800 0.059 0.000 1.087 604 D HN 0.354 nan 8.370 nan 0.000 0.510 605 G N 2.961 111.779 108.800 0.030 0.000 2.286 605 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.296 605 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.296 605 G C 0.474 175.382 174.900 0.014 0.000 0.511 605 G CA 0.256 45.368 45.100 0.021 0.000 1.791 605 G HN 0.514 nan 8.290 nan 0.000 0.473 606 A N 1.898 124.730 122.820 0.021 0.000 3.079 606 A HA 0.581 4.901 4.320 -0.000 0.000 0.315 606 A C 1.024 178.608 177.584 0.001 0.000 1.334 606 A CA -0.425 51.618 52.037 0.009 0.000 1.048 606 A CB 0.346 19.362 19.000 0.026 0.000 1.156 606 A HN 0.462 nan 8.150 nan 0.000 0.523 607 S N 1.676 117.359 115.700 -0.027 0.000 3.716 607 S HA 0.118 4.588 4.470 -0.000 0.000 0.254 607 S C 0.166 174.737 174.600 -0.048 0.000 1.209 607 S CA 0.181 58.362 58.200 -0.031 0.000 1.026 607 S CB -0.722 62.443 63.200 -0.058 0.000 1.625 607 S HN 0.685 nan 8.310 nan 0.000 0.500 608 I N 3.348 123.916 120.570 -0.002 0.000 2.555 608 I HA 0.262 4.432 4.170 -0.000 0.000 0.275 608 I C 0.357 176.531 176.117 0.095 0.000 1.082 608 I CA -0.777 60.529 61.300 0.010 0.000 1.167 608 I CB 0.170 38.183 38.000 0.022 0.000 1.312 608 I HN 0.387 nan 8.210 nan 0.000 0.493 609 K N 5.631 126.086 120.400 0.090 0.000 3.029 609 K HA 0.484 4.804 4.320 -0.000 0.000 0.347 609 K C -0.796 175.980 176.600 0.294 0.000 0.994 609 K CA -0.246 56.142 56.287 0.169 0.000 1.278 609 K CB 0.497 33.075 32.500 0.130 0.000 1.270 609 K HN 0.314 nan 8.250 nan 0.000 0.550 610 F N -0.337 119.658 119.950 0.075 0.000 2.711 610 F HA 0.169 4.696 4.527 -0.000 0.000 0.313 610 F C -0.951 174.905 175.800 0.093 0.000 1.141 610 F CA -0.204 57.834 58.000 0.065 0.000 0.941 610 F CB 2.268 41.223 39.000 -0.074 0.000 1.349 610 F HN 0.878 nan 8.300 nan 0.000 0.464 611 D N -1.005 119.412 120.400 0.028 0.000 1.756 611 D HA 0.087 4.727 4.640 -0.000 0.000 0.648 611 D C -0.248 176.099 176.300 0.078 0.000 0.769 611 D CA 0.236 54.288 54.000 0.086 0.000 1.133 611 D CB 0.109 40.918 40.800 0.015 0.000 1.444 611 D HN 0.246 nan 8.370 nan 0.000 0.482 612 S N -0.553 115.115 115.700 -0.053 0.000 2.759 612 S HA 0.850 5.320 4.470 -0.000 0.000 0.310 612 S C -1.234 173.443 174.600 0.129 0.000 1.123 612 S CA -0.478 57.736 58.200 0.023 0.000 0.959 612 S CB 1.535 64.720 63.200 -0.025 0.000 1.172 612 S HN 0.312 nan 8.310 nan 0.000 0.539 613 I N 0.195 120.842 120.570 0.127 0.000 2.842 613 I HA 0.606 4.776 4.170 -0.000 0.000 0.296 613 I C -1.733 174.475 176.117 0.152 0.000 1.538 613 I CA -0.050 61.349 61.300 0.165 0.000 0.994 613 I CB 1.186 39.298 38.000 0.186 0.000 1.372 613 I HN 0.839 nan 8.210 nan 0.000 0.478 614 C N 4.296 123.694 119.300 0.163 0.000 3.320 614 C HA 0.958 5.418 4.460 -0.000 0.000 0.335 614 C C -1.209 173.736 174.990 -0.075 0.000 1.430 614 C CA -1.147 57.905 59.018 0.056 0.000 1.271 614 C CB 1.278 29.005 27.740 -0.022 0.000 1.609 614 C HN 1.098 nan 8.230 nan 0.000 0.457 615 L N 0.452 121.317 121.223 -0.597 0.000 3.077 615 L HA 0.610 4.950 4.340 -0.000 0.000 0.254 615 L C -1.841 174.521 176.870 -0.847 0.000 0.959 615 L CA -0.153 54.209 54.840 -0.797 0.000 1.030 615 L CB 0.596 42.300 42.059 -0.593 0.000 1.679 615 L HN 0.846 nan 8.230 nan 0.000 0.468 616 Y N 3.114 123.354 120.300 -0.100 0.000 2.968 616 Y HA 1.032 5.582 4.550 -0.000 0.000 0.316 616 Y C 0.457 176.363 175.900 0.011 0.000 1.359 616 Y CA -0.524 57.574 58.100 -0.003 0.000 1.107 616 Y CB 1.236 39.734 38.460 0.064 0.000 1.374 616 Y HN 0.894 nan 8.280 nan 0.000 0.621 617 A N -0.577 122.389 122.820 0.242 0.000 2.566 617 A HA 0.690 5.010 4.320 -0.000 0.000 0.290 617 A C -1.558 176.104 177.584 0.130 0.000 1.071 617 A CA -0.690 51.424 52.037 0.128 0.000 0.658 617 A CB 1.103 20.133 19.000 0.050 0.000 1.285 617 A HN 0.493 nan 8.150 nan 0.000 0.427 618 T N 0.814 115.435 114.554 0.112 0.000 2.824 618 T HA 0.692 5.042 4.350 -0.000 0.000 0.282 618 T C -1.255 173.564 174.700 0.198 0.000 0.993 618 T CA -0.017 62.142 62.100 0.099 0.000 0.967 618 T CB 0.587 69.468 68.868 0.021 0.000 0.960 618 T HN 0.593 nan 8.240 nan 0.000 0.441 619 F N 2.035 121.970 119.950 -0.024 0.000 2.629 619 F HA 0.744 5.271 4.527 -0.000 0.000 0.316 619 F C -1.832 174.014 175.800 0.077 0.000 1.081 619 F CA -1.243 56.773 58.000 0.027 0.000 0.954 619 F CB 1.676 40.718 39.000 0.069 0.000 1.337 619 F HN 0.391 nan 8.300 nan 0.000 0.474 620 F N 4.334 123.705 119.950 -0.964 0.000 2.477 620 F HA 0.526 5.053 4.527 -0.000 0.000 0.335 620 F C -2.412 172.932 175.800 -0.760 0.000 1.130 620 F CA -2.955 54.648 58.000 -0.662 0.000 0.948 620 F CB 1.536 40.267 39.000 -0.449 0.000 1.154 620 F HN 0.122 nan 8.300 nan 0.000 0.439 621 P HA 0.719 nan 4.420 nan 0.000 0.296 621 P C -1.364 175.837 177.300 -0.165 0.000 1.310 621 P CA -0.531 62.520 63.100 -0.081 0.000 0.900 621 P CB 2.476 34.203 31.700 0.046 0.000 1.111 622 M N 0.288 119.798 119.600 -0.150 0.000 3.517 622 M HA 0.655 5.135 4.480 -0.000 0.000 0.293 622 M C -0.862 175.274 176.300 -0.274 0.000 1.404 622 M CA -1.058 54.121 55.300 -0.202 0.000 0.837 622 M CB 0.185 32.659 32.600 -0.210 0.000 1.756 622 M HN 0.171 nan 8.290 nan 0.000 0.474 623 A N -0.539 122.141 122.820 -0.233 0.000 2.409 623 A HA 0.440 4.760 4.320 -0.000 0.000 0.267 623 A C -0.682 176.779 177.584 -0.205 0.000 1.127 623 A CA -0.302 51.580 52.037 -0.259 0.000 0.795 623 A CB -0.869 18.045 19.000 -0.144 0.000 1.061 623 A HN 0.842 nan 8.150 nan 0.000 0.502 624 H N 1.972 121.043 119.070 0.001 0.000 3.792 624 H HA 0.083 4.639 4.556 -0.000 0.000 0.216 624 H C 0.816 176.145 175.328 0.001 0.000 1.525 624 H CA 0.670 56.724 56.048 0.011 0.000 1.309 624 H CB -0.214 29.562 29.762 0.024 0.000 1.540 624 H HN 0.846 nan 8.280 nan 0.000 0.711 625 N N -0.555 118.166 118.700 0.036 0.000 2.036 625 N HA -0.012 4.728 4.740 -0.000 0.000 0.228 625 N C 0.173 175.674 175.510 -0.014 0.000 1.368 625 N CA 0.152 53.206 53.050 0.007 0.000 0.846 625 N CB 0.965 39.438 38.487 -0.022 0.000 1.145 625 N HN 0.148 nan 8.380 nan 0.000 0.502 626 T N -1.824 112.722 114.554 -0.014 0.000 3.058 626 T HA 0.396 4.746 4.350 -0.000 0.000 0.278 626 T C 0.876 175.575 174.700 -0.001 0.000 0.974 626 T CA 0.121 62.203 62.100 -0.031 0.000 0.893 626 T CB 1.184 70.006 68.868 -0.077 0.000 1.138 626 T HN 0.176 nan 8.240 nan 0.000 0.529 627 A N 1.697 124.543 122.820 0.042 0.000 1.975 627 A HA 0.335 4.655 4.320 -0.000 0.000 0.197 627 A C 1.880 179.506 177.584 0.071 0.000 1.537 627 A CA 0.564 52.644 52.037 0.072 0.000 0.972 627 A CB -0.343 18.735 19.000 0.129 0.000 1.019 627 A HN 0.389 nan 8.150 nan 0.000 0.488 628 S N 0.818 116.563 115.700 0.075 0.000 2.727 628 S HA -0.015 4.455 4.470 -0.000 0.000 0.226 628 S C 1.282 175.904 174.600 0.038 0.000 0.963 628 S CA 1.360 59.593 58.200 0.055 0.000 0.950 628 S CB -0.854 62.380 63.200 0.056 0.000 0.779 628 S HN 0.763 nan 8.310 nan 0.000 0.532 629 T N -0.532 114.042 114.554 0.034 0.000 3.286 629 T HA 0.256 4.606 4.350 -0.000 0.000 0.237 629 T C 1.595 176.310 174.700 0.024 0.000 0.969 629 T CA -0.151 61.963 62.100 0.022 0.000 1.298 629 T CB -0.643 68.233 68.868 0.013 0.000 1.053 629 T HN 0.155 nan 8.240 nan 0.000 0.402 630 L N 2.057 123.294 121.223 0.024 0.000 2.103 630 L HA -0.173 4.167 4.340 -0.000 0.000 0.215 630 L C 2.529 179.419 176.870 0.034 0.000 1.080 630 L CA 2.000 56.856 54.840 0.027 0.000 0.764 630 L CB -1.780 40.297 42.059 0.030 0.000 0.890 630 L HN 0.530 nan 8.230 nan 0.000 0.435 631 E N -0.311 119.914 120.200 0.041 0.000 2.233 631 E HA -0.290 4.060 4.350 -0.000 0.000 0.210 631 E C 1.889 178.509 176.600 0.033 0.000 1.046 631 E CA 1.500 57.926 56.400 0.044 0.000 0.844 631 E CB -0.129 29.598 29.700 0.044 0.000 0.741 631 E HN 0.629 nan 8.360 nan 0.000 0.465 632 A N 0.562 123.397 122.820 0.025 0.000 2.877 632 A HA -0.136 4.184 4.320 -0.000 0.000 0.167 632 A C 1.415 179.008 177.584 0.016 0.000 1.210 632 A CA 1.368 53.414 52.037 0.016 0.000 0.889 632 A CB -0.251 18.756 19.000 0.013 0.000 0.935 632 A HN 0.177 nan 8.150 nan 0.000 0.544 633 M N -2.448 117.161 119.600 0.015 0.000 7.318 633 M HA -0.296 4.184 4.480 -0.000 0.000 0.280 633 M C 1.292 177.604 176.300 0.020 0.000 0.480 633 M CA 2.534 57.844 55.300 0.017 0.000 1.311 633 M CB -2.406 30.208 32.600 0.023 0.000 0.423 633 M HN 1.078 nan 8.290 nan 0.000 0.392 634 L N -0.821 120.419 121.223 0.028 0.000 2.653 634 L HA 0.266 4.606 4.340 -0.000 0.000 0.232 634 L C 1.920 178.793 176.870 0.006 0.000 1.169 634 L CA 0.496 55.361 54.840 0.041 0.000 0.951 634 L CB -0.240 41.856 42.059 0.062 0.000 1.181 634 L HN 0.324 nan 8.230 nan 0.000 0.460 635 R N 0.292 120.780 120.500 -0.019 0.000 2.276 635 R HA 0.116 4.456 4.340 -0.000 0.000 0.203 635 R C 0.211 176.434 176.300 -0.129 0.000 1.017 635 R CA 0.024 56.083 56.100 -0.068 0.000 1.010 635 R CB 0.015 30.299 30.300 -0.027 0.000 0.900 635 R HN 0.557 nan 8.270 nan 0.000 0.469 636 N N 0.544 119.212 118.700 -0.053 0.000 2.515 636 N HA -0.026 4.714 4.740 -0.000 0.000 0.279 636 N C -0.104 175.470 175.510 0.107 0.000 1.164 636 N CA 0.042 53.086 53.050 -0.009 0.000 0.982 636 N CB 1.440 39.940 38.487 0.021 0.000 1.170 636 N HN -0.066 nan 8.380 nan 0.000 0.474 637 D N -0.358 120.141 120.400 0.166 0.000 2.221 637 D HA -0.134 4.506 4.640 -0.000 0.000 0.204 637 D C 1.391 177.802 176.300 0.185 0.000 0.982 637 D CA 1.460 55.662 54.000 0.338 0.000 0.857 637 D CB 0.243 41.142 40.800 0.166 0.000 0.934 637 D HN 0.622 nan 8.370 nan 0.000 0.475 638 T N -4.155 110.462 114.554 0.105 0.000 3.091 638 T HA 0.160 4.510 4.350 -0.000 0.000 0.277 638 T C 0.356 175.083 174.700 0.045 0.000 0.996 638 T CA -0.528 61.605 62.100 0.055 0.000 0.897 638 T CB -0.150 68.735 68.868 0.028 0.000 1.109 638 T HN -0.050 nan 8.240 nan 0.000 0.534 639 N N 2.298 121.035 118.700 0.062 0.000 2.761 639 N HA 0.192 4.932 4.740 -0.000 0.000 0.317 639 N C -0.996 174.552 175.510 0.063 0.000 1.546 639 N CA -0.386 52.690 53.050 0.043 0.000 1.015 639 N CB 0.649 39.154 38.487 0.032 0.000 1.343 639 N HN 0.431 nan 8.380 nan 0.000 0.504 640 D N 0.401 120.846 120.400 0.076 0.000 2.481 640 D HA 0.117 4.757 4.640 -0.000 0.000 0.283 640 D C 0.398 176.741 176.300 0.072 0.000 1.192 640 D CA -0.197 53.862 54.000 0.099 0.000 1.100 640 D CB 0.243 41.119 40.800 0.126 0.000 1.166 640 D HN -0.040 nan 8.370 nan 0.000 0.584 641 Q N -0.531 119.330 119.800 0.102 0.000 2.259 641 Q HA 0.534 4.874 4.340 -0.000 0.000 0.249 641 Q C -1.033 175.042 176.000 0.125 0.000 0.914 641 Q CA -0.136 55.764 55.803 0.161 0.000 0.904 641 Q CB 1.274 30.165 28.738 0.255 0.000 1.213 641 Q HN 0.274 nan 8.270 nan 0.000 0.428 642 S N 2.706 118.438 115.700 0.054 0.000 2.599 642 S HA 0.642 5.112 4.470 -0.000 0.000 0.269 642 S C -1.782 172.713 174.600 -0.175 0.000 1.135 642 S CA -0.486 57.720 58.200 0.011 0.000 1.027 642 S CB 0.020 63.184 63.200 -0.061 0.000 1.129 642 S HN 0.477 nan 8.310 nan 0.000 0.458 643 F N 3.032 123.004 119.950 0.038 0.000 2.876 643 F HA 0.635 5.162 4.527 -0.000 0.000 0.358 643 F C 1.110 176.948 175.800 0.063 0.000 1.209 643 F CA -0.788 57.240 58.000 0.047 0.000 1.051 643 F CB 0.918 39.943 39.000 0.043 0.000 1.474 643 F HN 0.606 nan 8.300 nan 0.000 0.521 644 N N -0.412 118.486 118.700 0.330 0.000 3.005 644 N HA 0.401 5.141 4.740 -0.000 0.000 0.242 644 N C -1.846 173.814 175.510 0.251 0.000 1.583 644 N CA -0.294 52.891 53.050 0.224 0.000 0.978 644 N CB 1.332 39.914 38.487 0.158 0.000 2.453 644 N HN 0.429 nan 8.380 nan 0.000 0.377 645 D N -1.038 119.483 120.400 0.203 0.000 3.312 645 D HA -0.036 4.604 4.640 -0.000 0.000 0.117 645 D C -1.726 174.660 176.300 0.143 0.000 0.845 645 D CA -0.185 53.913 54.000 0.163 0.000 1.940 645 D CB -1.011 39.852 40.800 0.104 0.000 1.357 645 D HN 0.517 nan 8.370 nan 0.000 0.902 646 Y N 3.551 123.880 120.300 0.049 0.000 3.058 646 Y HA 0.214 4.764 4.550 -0.000 0.000 0.376 646 Y C 0.799 176.706 175.900 0.012 0.000 1.037 646 Y CA 0.993 59.122 58.100 0.047 0.000 1.707 646 Y CB 0.004 38.492 38.460 0.047 0.000 1.848 646 Y HN 0.578 nan 8.280 nan 0.000 0.444 647 L N -1.076 120.221 121.223 0.123 0.000 3.189 647 L HA 0.096 4.436 4.340 -0.000 0.000 0.167 647 L C 0.586 177.447 176.870 -0.015 0.000 1.284 647 L CA 0.689 55.554 54.840 0.041 0.000 0.916 647 L CB -0.039 42.002 42.059 -0.031 0.000 1.792 647 L HN 0.082 nan 8.230 nan 0.000 0.559 648 S N 0.268 115.929 115.700 -0.064 0.000 3.356 648 S HA -0.013 4.457 4.470 -0.000 0.000 0.376 648 S C -0.187 174.396 174.600 -0.027 0.000 0.924 648 S CA 0.487 58.658 58.200 -0.048 0.000 1.316 648 S CB -2.544 60.698 63.200 0.069 0.000 0.922 648 S HN 0.948 nan 8.310 nan 0.000 0.553 649 A N 1.803 124.596 122.820 -0.044 0.000 2.578 649 A HA 1.047 5.367 4.320 -0.000 0.000 0.255 649 A C 0.994 178.583 177.584 0.009 0.000 1.251 649 A CA -0.294 51.740 52.037 -0.006 0.000 0.882 649 A CB 0.221 19.212 19.000 -0.016 0.000 1.416 649 A HN 1.614 nan 8.150 nan 0.000 0.462 650 A N -1.445 121.400 122.820 0.042 0.000 1.941 650 A HA 0.427 4.747 4.320 -0.000 0.000 0.214 650 A C 0.652 178.282 177.584 0.077 0.000 1.368 650 A CA 1.234 53.293 52.037 0.036 0.000 0.651 650 A CB -0.425 18.585 19.000 0.017 0.000 1.064 650 A HN 1.394 nan 8.150 nan 0.000 0.492 651 N N -2.783 116.006 118.700 0.148 0.000 3.127 651 N HA -0.090 4.650 4.740 -0.000 0.000 0.243 651 N C -0.246 175.384 175.510 0.200 0.000 1.090 651 N CA 0.599 53.808 53.050 0.264 0.000 0.841 651 N CB -1.084 37.540 38.487 0.228 0.000 1.115 651 N HN 0.356 nan 8.380 nan 0.000 0.542 652 M N 0.789 120.464 119.600 0.125 0.000 2.245 652 M HA 0.684 5.164 4.480 -0.000 0.000 0.292 652 M C -0.147 176.032 176.300 -0.203 0.000 1.176 652 M CA -0.358 54.889 55.300 -0.088 0.000 1.035 652 M CB 0.849 33.380 32.600 -0.114 0.000 1.440 652 M HN 0.244 nan 8.290 nan 0.000 0.494 653 L N -0.497 120.368 121.223 -0.597 0.000 3.041 653 L HA 0.630 4.970 4.340 -0.000 0.000 0.278 653 L C -2.093 174.098 176.870 -1.132 0.000 1.051 653 L CA -1.365 53.082 54.840 -0.655 0.000 0.957 653 L CB 0.996 42.734 42.059 -0.534 0.000 1.538 653 L HN 0.701 nan 8.230 nan 0.000 0.393 654 Y N -1.639 118.582 120.300 -0.131 0.000 2.294 654 Y HA 0.547 5.097 4.550 -0.000 0.000 0.316 654 Y C -2.526 173.306 175.900 -0.114 0.000 1.265 654 Y CA -1.339 56.702 58.100 -0.100 0.000 1.149 654 Y CB 1.329 39.753 38.460 -0.060 0.000 1.293 654 Y HN 0.554 nan 8.280 nan 0.000 0.416 655 P HA -0.064 nan 4.420 nan 0.000 0.278 655 P C -0.498 176.799 177.300 -0.005 0.000 1.369 655 P CA 0.350 63.446 63.100 -0.006 0.000 0.994 655 P CB 1.026 32.728 31.700 0.003 0.000 0.984 656 I N 0.435 121.002 120.570 -0.005 0.000 2.468 656 I HA 0.239 4.409 4.170 -0.000 0.000 0.284 656 I C -2.261 173.859 176.117 0.005 0.000 1.038 656 I CA -2.754 58.548 61.300 0.003 0.000 1.083 656 I CB 2.180 40.183 38.000 0.005 0.000 1.223 656 I HN 0.157 nan 8.210 nan 0.000 0.443 657 P HA -0.159 nan 4.420 nan 0.000 0.276 657 P C -0.620 176.680 177.300 -0.000 0.000 1.248 657 P CA 0.086 63.191 63.100 0.007 0.000 0.834 657 P CB 0.419 32.128 31.700 0.015 0.000 0.888 658 A N 1.367 124.186 122.820 -0.002 0.000 2.488 658 A HA 0.155 4.475 4.320 -0.000 0.000 0.249 658 A C 0.170 177.751 177.584 -0.004 0.000 1.083 658 A CA -0.046 51.987 52.037 -0.006 0.000 0.768 658 A CB -1.295 17.702 19.000 -0.005 0.000 1.017 658 A HN 0.759 nan 8.150 nan 0.000 0.496 659 N N 0.163 118.856 118.700 -0.011 0.000 2.610 659 N HA -0.086 4.654 4.740 -0.000 0.000 0.271 659 N C 0.400 175.909 175.510 -0.003 0.000 1.146 659 N CA -0.019 53.025 53.050 -0.010 0.000 0.711 659 N CB -1.236 37.252 38.487 0.000 0.000 0.883 659 N HN 1.377 nan 8.380 nan 0.000 0.548 660 A N 0.732 123.547 122.820 -0.009 0.000 2.698 660 A HA 0.166 4.486 4.320 -0.000 0.000 0.516 660 A C 1.494 179.096 177.584 0.029 0.000 1.526 660 A CA 1.491 53.531 52.037 0.006 0.000 1.726 660 A CB -0.042 18.953 19.000 -0.008 0.000 1.254 660 A HN 0.843 nan 8.150 nan 0.000 0.627 661 T N -1.867 112.720 114.554 0.055 0.000 10.430 661 T HA -0.076 4.274 4.350 -0.000 0.000 0.316 661 T C -0.280 174.495 174.700 0.125 0.000 1.580 661 T CA 0.381 62.531 62.100 0.085 0.000 1.979 661 T CB -1.004 67.901 68.868 0.062 0.000 2.575 661 T HN 1.289 nan 8.240 nan 0.000 0.198 662 N N 1.042 119.803 118.700 0.101 0.000 2.240 662 N HA 0.679 5.419 4.740 -0.000 0.000 0.302 662 N C -0.980 174.582 175.510 0.087 0.000 1.106 662 N CA -0.036 53.086 53.050 0.120 0.000 0.778 662 N CB 1.997 40.535 38.487 0.084 0.000 1.431 662 N HN 0.699 nan 8.380 nan 0.000 0.479 663 V N -0.347 119.630 119.914 0.104 0.000 3.156 663 V HA 0.765 4.885 4.120 -0.000 0.000 0.310 663 V C -2.444 173.673 176.094 0.038 0.000 1.234 663 V CA -1.657 60.680 62.300 0.062 0.000 1.065 663 V CB 1.277 33.136 31.823 0.061 0.000 1.088 663 V HN 0.671 nan 8.190 nan 0.000 0.451 664 P HA 0.621 nan 4.420 nan 0.000 0.287 664 P C -0.865 176.407 177.300 -0.047 0.000 1.307 664 P CA 0.223 63.307 63.100 -0.025 0.000 0.777 664 P CB 1.246 32.921 31.700 -0.041 0.000 0.883 665 I N 0.571 121.121 120.570 -0.033 0.000 2.753 665 I HA 0.403 4.573 4.170 -0.000 0.000 0.291 665 I C -1.227 174.876 176.117 -0.023 0.000 1.425 665 I CA -0.244 61.036 61.300 -0.033 0.000 1.039 665 I CB 2.095 40.120 38.000 0.042 0.000 1.349 665 I HN 0.283 nan 8.210 nan 0.000 0.430 666 S N 8.020 123.712 115.700 -0.013 0.000 2.514 666 S HA 0.263 4.733 4.470 -0.000 0.000 0.193 666 S C -0.337 174.283 174.600 0.033 0.000 0.790 666 S CA -0.638 57.564 58.200 0.003 0.000 0.958 666 S CB -0.304 62.891 63.200 -0.008 0.000 1.696 666 S HN 0.566 nan 8.310 nan 0.000 0.514 667 I N 1.814 122.416 120.570 0.053 0.000 3.325 667 I HA -0.010 4.160 4.170 -0.000 0.000 0.354 667 I C -1.922 174.261 176.117 0.110 0.000 1.171 667 I CA -0.324 61.021 61.300 0.076 0.000 1.515 667 I CB -1.324 36.741 38.000 0.108 0.000 1.267 667 I HN 0.276 nan 8.210 nan 0.000 0.496 668 P HA 0.197 nan 4.420 nan 0.000 0.272 668 P C -0.431 176.945 177.300 0.127 0.000 1.240 668 P CA -0.379 62.767 63.100 0.078 0.000 0.791 668 P CB 0.456 32.167 31.700 0.018 0.000 0.978 669 S N 0.826 116.587 115.700 0.102 0.000 2.562 669 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 669 S C 0.152 174.523 174.600 -0.381 0.000 1.281 669 S CA -0.572 57.655 58.200 0.046 0.000 1.045 669 S CB 0.405 63.697 63.200 0.152 0.000 0.962 669 S HN 0.595 nan 8.310 nan 0.000 0.503 670 R N 1.198 121.026 120.500 -1.120 0.000 2.634 670 R HA 0.327 4.667 4.340 -0.000 0.000 0.263 670 R C -1.281 174.125 176.300 -1.490 0.000 1.060 670 R CA -0.710 54.823 56.100 -0.945 0.000 0.898 670 R CB 0.543 30.566 30.300 -0.462 0.000 1.253 670 R HN 0.565 nan 8.270 nan 0.000 0.461 671 N N 1.312 119.492 118.700 -0.867 0.000 2.225 671 N HA -0.096 4.644 4.740 -0.000 0.000 0.257 671 N C -0.717 174.321 175.510 -0.786 0.000 1.252 671 N CA 1.362 53.962 53.050 -0.751 0.000 0.833 671 N CB 0.382 38.629 38.487 -0.401 0.000 1.068 671 N HN 0.688 nan 8.380 nan 0.000 0.468 672 W N 0.728 121.915 121.300 -0.188 0.000 0.688 672 W HA 0.330 4.990 4.660 -0.000 0.000 0.144 672 W C 0.014 176.542 176.519 0.016 0.000 0.632 672 W CA -0.827 56.391 57.345 -0.212 0.000 0.497 672 W CB -1.249 28.216 29.460 0.008 0.000 0.723 672 W HN 0.392 nan 8.180 nan 0.000 0.368 673 A N 1.614 124.736 122.820 0.504 0.000 2.558 673 A HA 0.517 4.837 4.320 -0.000 0.000 0.235 673 A C 1.294 179.105 177.584 0.378 0.000 1.677 673 A CA 1.475 53.791 52.037 0.465 0.000 1.531 673 A CB -1.224 17.959 19.000 0.306 0.000 0.841 673 A HN 1.148 nan 8.150 nan 0.000 0.631 674 A N -1.237 121.841 122.820 0.429 0.000 2.355 674 A HA 0.347 4.667 4.320 -0.000 0.000 0.222 674 A C -0.176 177.779 177.584 0.618 0.000 2.875 674 A CA -0.086 52.211 52.037 0.433 0.000 1.652 674 A CB -1.275 17.867 19.000 0.237 0.000 0.208 674 A HN 1.323 nan 8.150 nan 0.000 0.616 675 F N 0.401 120.480 119.950 0.216 0.000 2.411 675 F HA 0.884 5.411 4.527 -0.000 0.000 0.324 675 F C 0.640 176.213 175.800 -0.379 0.000 1.086 675 F CA -0.903 57.092 58.000 -0.008 0.000 1.028 675 F CB 0.665 39.713 39.000 0.081 0.000 1.284 675 F HN 0.152 nan 8.300 nan 0.000 0.501 676 R N 0.544 120.189 120.500 -1.424 0.000 2.502 676 R HA 0.540 4.880 4.340 -0.000 0.000 0.188 676 R C 0.730 176.141 176.300 -1.481 0.000 1.063 676 R CA -0.064 55.221 56.100 -1.357 0.000 1.174 676 R CB -0.370 29.267 30.300 -1.106 0.000 1.531 676 R HN 0.971 nan 8.270 nan 0.000 0.525 677 G N -1.100 107.298 108.800 -0.669 0.000 2.829 677 G HA2 0.238 4.198 3.960 -0.000 0.000 0.173 677 G HA3 0.238 4.198 3.960 -0.000 0.000 0.173 677 G C -0.761 173.989 174.900 -0.249 0.000 1.476 677 G CA -0.571 44.331 45.100 -0.330 0.000 1.072 677 G HN 0.438 nan 8.290 nan 0.000 0.577 678 W N -2.808 118.492 121.300 -0.000 0.000 3.624 678 W HA 0.596 5.256 4.660 -0.000 0.000 0.359 678 W C 0.267 176.687 176.519 -0.164 0.000 1.122 678 W CA 0.082 57.323 57.345 -0.174 0.000 1.009 678 W CB 1.151 30.489 29.460 -0.202 0.000 1.586 678 W HN 0.903 nan 8.180 nan 0.000 0.610 679 A N -0.253 122.615 122.820 0.080 0.000 5.135 679 A HA 0.514 4.834 4.320 -0.000 0.000 0.139 679 A C -1.152 176.334 177.584 -0.163 0.000 1.111 679 A CA 0.098 52.070 52.037 -0.109 0.000 1.215 679 A CB -0.225 18.627 19.000 -0.247 0.000 1.926 679 A HN 1.479 nan 8.150 nan 0.000 0.927 680 F N -1.804 117.765 119.950 -0.633 0.000 2.186 680 F HA 0.307 4.834 4.527 -0.000 0.000 0.318 680 F C -0.278 175.031 175.800 -0.820 0.000 1.082 680 F CA 0.277 57.884 58.000 -0.654 0.000 0.910 680 F CB -0.811 37.989 39.000 -0.332 0.000 4.122 680 F HN 1.680 nan 8.300 nan 0.000 0.144 681 T N 2.316 116.857 114.554 -0.022 0.000 1.796 681 T HA 0.670 5.020 4.350 -0.000 0.000 0.177 681 T C -0.563 174.342 174.700 0.341 0.000 0.689 681 T CA -0.328 61.584 62.100 -0.312 0.000 1.180 681 T CB 0.878 69.303 68.868 -0.739 0.000 3.041 681 T HN 0.956 nan 8.240 nan 0.000 0.426 682 R N -0.658 119.975 120.500 0.222 0.000 2.594 682 R HA 0.727 5.066 4.340 -0.000 0.000 0.265 682 R C -1.829 174.497 176.300 0.044 0.000 1.070 682 R CA -0.547 55.701 56.100 0.247 0.000 0.909 682 R CB 1.750 32.213 30.300 0.272 0.000 1.243 682 R HN 0.579 nan 8.270 nan 0.000 0.455 683 L N 1.753 123.034 121.223 0.097 0.000 2.931 683 L HA 0.685 5.025 4.340 -0.000 0.000 0.225 683 L C -1.108 175.877 176.870 0.191 0.000 1.998 683 L CA -0.804 54.119 54.840 0.138 0.000 2.541 683 L CB 1.245 43.327 42.059 0.037 0.000 2.490 683 L HN 0.615 nan 8.230 nan 0.000 0.610 684 K N -1.044 119.409 120.400 0.089 0.000 2.592 684 K HA 0.187 4.507 4.320 -0.000 0.000 0.265 684 K C -0.710 175.883 176.600 -0.013 0.000 1.006 684 K CA -0.025 56.280 56.287 0.029 0.000 0.907 684 K CB 1.546 34.048 32.500 0.004 0.000 1.309 684 K HN 0.451 nan 8.250 nan 0.000 0.452 685 T N 2.070 116.611 114.554 -0.021 0.000 3.227 685 T HA -0.053 4.297 4.350 -0.000 0.000 0.257 685 T C 0.856 175.541 174.700 -0.024 0.000 1.162 685 T CA 0.565 62.650 62.100 -0.025 0.000 1.051 685 T CB -0.213 68.640 68.868 -0.024 0.000 0.953 685 T HN 0.518 nan 8.240 nan 0.000 0.535 686 K N 0.105 120.477 120.400 -0.046 0.000 2.402 686 K HA 0.332 4.652 4.320 -0.000 0.000 0.204 686 K C 1.156 177.668 176.600 -0.147 0.000 1.056 686 K CA -0.159 56.090 56.287 -0.064 0.000 1.069 686 K CB 0.735 33.191 32.500 -0.073 0.000 0.888 686 K HN 0.165 nan 8.250 nan 0.000 0.546 687 E N 2.029 122.140 120.200 -0.149 0.000 2.206 687 E HA -0.008 4.342 4.350 -0.000 0.000 0.195 687 E C 0.130 176.701 176.600 -0.050 0.000 0.935 687 E CA 0.539 56.771 56.400 -0.279 0.000 0.875 687 E CB 0.482 30.084 29.700 -0.163 0.000 0.841 687 E HN 0.357 nan 8.360 nan 0.000 0.477 688 T N 2.096 116.663 114.554 0.021 0.000 2.946 688 T HA 0.052 4.402 4.350 -0.000 0.000 0.312 688 T C -2.422 172.367 174.700 0.148 0.000 1.066 688 T CA -1.038 61.095 62.100 0.056 0.000 1.138 688 T CB 0.758 69.618 68.868 -0.014 0.000 1.014 688 T HN -0.133 nan 8.240 nan 0.000 0.544 689 P HA 0.390 nan 4.420 nan 0.000 0.282 689 P C -0.646 176.530 177.300 -0.207 0.000 1.468 689 P CA -0.793 62.128 63.100 -0.299 0.000 1.017 689 P CB 1.144 32.672 31.700 -0.287 0.000 1.186 690 S N 3.815 119.432 115.700 -0.139 0.000 4.120 690 S HA 0.086 4.556 4.470 -0.000 0.000 0.215 690 S C 0.701 175.279 174.600 -0.037 0.000 1.347 690 S CA -0.144 58.020 58.200 -0.059 0.000 0.889 690 S CB -0.682 62.522 63.200 0.007 0.000 1.585 690 S HN 0.358 nan 8.310 nan 0.000 0.447 691 L N 3.148 124.341 121.223 -0.051 0.000 3.035 691 L HA 0.384 4.724 4.340 -0.000 0.000 0.232 691 L C 1.138 178.035 176.870 0.045 0.000 1.341 691 L CA 0.031 54.883 54.840 0.019 0.000 1.177 691 L CB -0.561 41.505 42.059 0.010 0.000 1.555 691 L HN 0.523 nan 8.230 nan 0.000 0.473 692 G N -0.821 107.999 108.800 0.033 0.000 3.448 692 G HA2 0.333 4.293 3.960 -0.000 0.000 0.261 692 G HA3 0.333 4.293 3.960 -0.000 0.000 0.261 692 G C 0.473 175.409 174.900 0.060 0.000 1.173 692 G CA 0.445 45.565 45.100 0.034 0.000 0.835 692 G HN 0.547 nan 8.290 nan 0.000 0.534 693 S N -1.697 114.058 115.700 0.093 0.000 4.226 693 S HA 0.540 5.010 4.470 -0.000 0.000 0.206 693 S C 1.321 176.038 174.600 0.195 0.000 1.207 693 S CA 0.311 58.584 58.200 0.121 0.000 1.174 693 S CB 0.279 63.545 63.200 0.110 0.000 1.984 693 S HN 0.321 nan 8.310 nan 0.000 0.668 694 G N -1.017 107.944 108.800 0.269 0.000 2.687 694 G HA2 0.442 4.402 3.960 -0.000 0.000 0.201 694 G HA3 0.442 4.402 3.960 -0.000 0.000 0.201 694 G C -0.482 174.735 174.900 0.528 0.000 1.211 694 G CA 0.364 45.757 45.100 0.489 0.000 0.637 694 G HN 0.339 nan 8.290 nan 0.000 0.900 695 Y N 0.211 120.599 120.300 0.147 0.000 2.805 695 Y HA 0.698 5.248 4.550 -0.000 0.000 0.323 695 Y C -1.863 174.045 175.900 0.013 0.000 1.279 695 Y CA -2.080 56.050 58.100 0.050 0.000 1.103 695 Y CB 2.581 40.949 38.460 -0.153 0.000 1.324 695 Y HN 0.006 nan 8.280 nan 0.000 0.498 696 D N 1.051 121.709 120.400 0.430 0.000 2.804 696 D HA 0.315 4.955 4.640 -0.000 0.000 0.209 696 D C -2.432 173.887 176.300 0.032 0.000 1.314 696 D CA -1.106 52.986 54.000 0.152 0.000 0.894 696 D CB 2.753 43.647 40.800 0.156 0.000 1.615 696 D HN 0.196 nan 8.370 nan 0.000 0.571 697 P HA 0.008 nan 4.420 nan 0.000 0.214 697 P C 1.072 178.253 177.300 -0.199 0.000 1.144 697 P CA 0.538 63.447 63.100 -0.318 0.000 0.884 697 P CB 0.228 31.576 31.700 -0.587 0.000 0.784 698 Y N -1.491 118.840 120.300 0.052 0.000 2.822 698 Y HA 0.011 4.561 4.550 -0.000 0.000 0.318 698 Y C 0.872 176.845 175.900 0.121 0.000 1.184 698 Y CA 0.091 58.226 58.100 0.057 0.000 1.371 698 Y CB -1.611 36.876 38.460 0.044 0.000 1.002 698 Y HN -0.010 nan 8.280 nan 0.000 0.529 699 Y N 0.820 121.174 120.300 0.090 0.000 2.377 699 Y HA 0.445 4.995 4.550 -0.000 0.000 0.339 699 Y C 0.836 176.794 175.900 0.096 0.000 1.011 699 Y CA -1.032 57.136 58.100 0.112 0.000 1.093 699 Y CB 1.662 40.207 38.460 0.142 0.000 1.201 699 Y HN 0.100 nan 8.280 nan 0.000 0.455 700 T N 1.060 115.366 114.554 -0.412 0.000 3.147 700 T HA 0.053 4.403 4.350 -0.000 0.000 0.275 700 T C 0.375 174.926 174.700 -0.249 0.000 0.879 700 T CA -0.107 61.855 62.100 -0.230 0.000 0.863 700 T CB -0.694 68.126 68.868 -0.080 0.000 1.236 700 T HN 0.459 nan 8.240 nan 0.000 0.582 701 Y N 3.053 122.976 120.300 -0.628 0.000 2.599 701 Y HA 0.338 4.888 4.550 -0.000 0.000 0.488 701 Y C 1.206 177.001 175.900 -0.174 0.000 1.247 701 Y CA 0.797 58.683 58.100 -0.357 0.000 2.082 701 Y CB -0.380 37.881 38.460 -0.332 0.000 1.699 701 Y HN 0.416 nan 8.280 nan 0.000 0.748 702 S N -0.471 114.913 115.700 -0.526 0.000 4.705 702 S HA 0.230 4.700 4.470 -0.000 0.000 0.038 702 S C -0.516 173.736 174.600 -0.580 0.000 0.862 702 S CA 0.250 58.227 58.200 -0.370 0.000 0.893 702 S CB -1.485 61.621 63.200 -0.156 0.000 0.333 702 S HN 1.294 nan 8.310 nan 0.000 0.804 703 G N 1.015 109.230 108.800 -0.976 0.000 3.187 703 G HA2 0.749 4.709 3.960 -0.000 0.000 0.175 703 G HA3 0.749 4.709 3.960 -0.000 0.000 0.175 703 G C -0.590 174.243 174.900 -0.112 0.000 1.112 703 G CA 0.139 44.903 45.100 -0.560 0.000 0.821 703 G HN 0.703 nan 8.290 nan 0.000 0.636 704 S N -0.563 115.214 115.700 0.128 0.000 2.747 704 S HA 0.843 5.313 4.470 -0.000 0.000 0.300 704 S C -0.341 174.505 174.600 0.409 0.000 1.121 704 S CA -0.163 58.193 58.200 0.260 0.000 0.995 704 S CB 1.303 64.629 63.200 0.210 0.000 1.113 704 S HN 1.074 nan 8.310 nan 0.000 0.547 705 I N -3.939 116.835 120.570 0.341 0.000 2.890 705 I HA 0.337 4.507 4.170 -0.000 0.000 0.301 705 I C -3.000 173.285 176.117 0.280 0.000 1.579 705 I CA -2.190 59.329 61.300 0.364 0.000 0.959 705 I CB 1.304 39.507 38.000 0.338 0.000 1.368 705 I HN 0.259 nan 8.210 nan 0.000 0.536 706 P HA -0.163 nan 4.420 nan 0.000 0.214 706 P C 0.665 178.146 177.300 0.301 0.000 1.163 706 P CA 1.570 64.816 63.100 0.243 0.000 0.889 706 P CB -0.066 31.787 31.700 0.255 0.000 0.790 707 Y N -0.435 119.977 120.300 0.186 0.000 2.527 707 Y HA -0.073 4.477 4.550 -0.000 0.000 0.461 707 Y C 2.093 178.071 175.900 0.130 0.000 1.330 707 Y CA 0.427 58.627 58.100 0.168 0.000 2.062 707 Y CB -0.559 37.967 38.460 0.110 0.000 1.757 707 Y HN -0.204 nan 8.280 nan 0.000 0.696 708 L N -1.354 119.941 121.223 0.120 0.000 3.640 708 L HA -0.478 3.862 4.340 -0.000 0.000 0.053 708 L C 1.331 178.177 176.870 -0.040 0.000 4.284 708 L CA 1.901 56.803 54.840 0.104 0.000 0.728 708 L CB -1.539 40.656 42.059 0.226 0.000 3.467 708 L HN 0.772 nan 8.230 nan 0.000 0.808 709 D N 0.041 120.444 120.400 0.004 0.000 2.392 709 D HA 0.261 4.901 4.640 -0.000 0.000 0.206 709 D C 1.329 177.593 176.300 -0.060 0.000 1.046 709 D CA 1.114 55.093 54.000 -0.035 0.000 0.865 709 D CB 0.610 41.395 40.800 -0.025 0.000 0.969 709 D HN 0.828 nan 8.370 nan 0.000 0.509 710 G N 0.814 109.571 108.800 -0.072 0.000 2.226 710 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.176 710 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.176 710 G C 0.013 174.588 174.900 -0.541 0.000 1.042 710 G CA 0.003 44.997 45.100 -0.177 0.000 0.732 710 G HN 0.288 nan 8.290 nan 0.000 0.494 711 T N 0.987 115.363 114.554 -0.297 0.000 3.471 711 T HA 0.586 4.936 4.350 -0.000 0.000 0.355 711 T C 0.635 175.226 174.700 -0.182 0.000 1.775 711 T CA -0.437 61.543 62.100 -0.201 0.000 1.305 711 T CB -0.258 68.674 68.868 0.107 0.000 1.171 711 T HN 0.464 nan 8.240 nan 0.000 0.776 712 F N 0.128 120.036 119.950 -0.071 0.000 2.213 712 F HA 0.668 5.195 4.527 -0.000 0.000 0.297 712 F C 1.113 176.732 175.800 -0.302 0.000 1.094 712 F CA -1.227 56.483 58.000 -0.483 0.000 1.121 712 F CB 0.114 38.865 39.000 -0.415 0.000 1.622 712 F HN 0.261 nan 8.300 nan 0.000 0.521 713 Y N -2.287 118.180 120.300 0.278 0.000 3.267 713 Y HA 0.376 4.926 4.550 -0.000 0.000 0.156 713 Y C -0.098 175.862 175.900 0.101 0.000 0.922 713 Y CA -1.179 56.996 58.100 0.124 0.000 1.867 713 Y CB -0.636 37.847 38.460 0.038 0.000 1.383 713 Y HN 0.122 nan 8.280 nan 0.000 0.284 714 L N 4.331 125.689 121.223 0.225 0.000 2.678 714 L HA 0.139 4.479 4.340 -0.000 0.000 0.276 714 L C -0.111 176.728 176.870 -0.052 0.000 1.142 714 L CA 0.607 55.407 54.840 -0.068 0.000 0.961 714 L CB -0.174 41.752 42.059 -0.221 0.000 1.291 714 L HN 0.476 nan 8.230 nan 0.000 0.476 715 N N 0.318 119.067 118.700 0.083 0.000 2.110 715 N HA -0.022 4.718 4.740 -0.000 0.000 0.230 715 N C 0.778 176.484 175.510 0.327 0.000 1.353 715 N CA -0.060 53.285 53.050 0.490 0.000 0.807 715 N CB 0.301 39.073 38.487 0.475 0.000 1.244 715 N HN 0.732 nan 8.380 nan 0.000 0.504 716 H N -0.495 118.497 119.070 -0.130 0.000 2.681 716 H HA 0.175 4.731 4.556 -0.000 0.000 0.268 716 H C -0.520 174.683 175.328 -0.209 0.000 0.967 716 H CA 0.449 56.220 56.048 -0.463 0.000 1.233 716 H CB 0.527 29.868 29.762 -0.702 0.000 1.445 716 H HN -0.111 nan 8.280 nan 0.000 0.494 717 T N -0.531 113.675 114.554 -0.581 0.000 3.254 717 T HA 0.377 4.727 4.350 -0.000 0.000 0.385 717 T C -0.735 173.701 174.700 -0.440 0.000 1.528 717 T CA -0.583 61.240 62.100 -0.462 0.000 1.212 717 T CB -0.923 67.560 68.868 -0.641 0.000 1.145 717 T HN 0.244 nan 8.240 nan 0.000 0.631 718 F N 1.937 121.879 119.950 -0.014 0.000 2.556 718 F HA 0.272 4.799 4.527 -0.000 0.000 0.384 718 F C 1.571 177.386 175.800 0.024 0.000 1.493 718 F CA -1.182 56.819 58.000 0.001 0.000 1.119 718 F CB 0.735 39.716 39.000 -0.032 0.000 1.280 718 F HN 0.222 nan 8.300 nan 0.000 0.525 719 K N 0.734 121.243 120.400 0.182 0.000 2.229 719 K HA -0.270 4.050 4.320 -0.000 0.000 0.213 719 K C 0.671 177.367 176.600 0.160 0.000 1.038 719 K CA 1.735 58.115 56.287 0.155 0.000 0.936 719 K CB -0.123 32.448 32.500 0.117 0.000 0.771 719 K HN 0.464 nan 8.250 nan 0.000 0.480 720 K N -1.554 118.953 120.400 0.179 0.000 2.711 720 K HA 0.331 4.651 4.320 -0.000 0.000 0.294 720 K C -1.880 174.837 176.600 0.194 0.000 1.037 720 K CA -0.570 55.818 56.287 0.170 0.000 0.858 720 K CB 1.844 34.438 32.500 0.157 0.000 1.521 720 K HN -0.108 nan 8.250 nan 0.000 0.386 721 V N -0.316 119.702 119.914 0.174 0.000 3.178 721 V HA 0.952 5.072 4.120 -0.000 0.000 0.302 721 V C -1.499 174.641 176.094 0.076 0.000 1.262 721 V CA -0.583 61.791 62.300 0.123 0.000 1.030 721 V CB 1.683 33.444 31.823 -0.104 0.000 1.074 721 V HN 1.014 nan 8.190 nan 0.000 0.438 722 A N 2.630 125.392 122.820 -0.096 0.000 2.582 722 A HA 0.894 5.214 4.320 -0.000 0.000 0.297 722 A C -1.577 175.908 177.584 -0.166 0.000 1.059 722 A CA -0.425 51.618 52.037 0.010 0.000 0.705 722 A CB 1.325 20.377 19.000 0.086 0.000 1.279 722 A HN 0.950 nan 8.150 nan 0.000 0.404 723 I N 0.750 121.263 120.570 -0.095 0.000 2.730 723 I HA 0.750 4.920 4.170 -0.000 0.000 0.298 723 I C 0.087 176.053 176.117 -0.252 0.000 1.089 723 I CA -0.809 60.309 61.300 -0.302 0.000 1.041 723 I CB 2.500 40.186 38.000 -0.522 0.000 1.235 723 I HN 0.633 nan 8.210 nan 0.000 0.423 724 T N 1.255 115.574 114.554 -0.392 0.000 2.598 724 T HA 0.695 5.045 4.350 -0.000 0.000 0.254 724 T C -0.622 173.825 174.700 -0.421 0.000 0.889 724 T CA -0.172 61.827 62.100 -0.169 0.000 1.091 724 T CB 1.550 70.383 68.868 -0.057 0.000 1.437 724 T HN 0.530 nan 8.240 nan 0.000 0.542 725 F N -0.637 119.382 119.950 0.114 0.000 2.009 725 F HA 0.276 4.803 4.527 -0.000 0.000 0.224 725 F C 1.515 177.397 175.800 0.137 0.000 1.300 725 F CA -0.454 57.620 58.000 0.123 0.000 1.145 725 F CB -0.521 38.554 39.000 0.126 0.000 2.109 725 F HN 0.561 nan 8.300 nan 0.000 0.106 726 D N 0.197 120.855 120.400 0.430 0.000 2.311 726 D HA -0.206 4.434 4.640 -0.000 0.000 0.204 726 D C 1.348 177.788 176.300 0.233 0.000 1.000 726 D CA 2.314 56.514 54.000 0.332 0.000 0.910 726 D CB 0.168 41.143 40.800 0.291 0.000 0.900 726 D HN 0.368 nan 8.370 nan 0.000 0.463 727 S N -3.037 112.784 115.700 0.202 0.000 1.682 727 S HA -0.147 4.323 4.470 -0.000 0.000 0.241 727 S C 1.174 175.849 174.600 0.125 0.000 0.978 727 S CA 1.037 59.316 58.200 0.132 0.000 1.043 727 S CB -1.441 61.823 63.200 0.108 0.000 1.195 727 S HN 0.379 nan 8.310 nan 0.000 0.535 728 S N 1.361 117.157 115.700 0.161 0.000 2.826 728 S HA 0.423 4.893 4.470 -0.000 0.000 0.193 728 S C 0.633 175.360 174.600 0.211 0.000 0.838 728 S CA 0.605 58.898 58.200 0.154 0.000 0.844 728 S CB -1.265 62.018 63.200 0.140 0.000 0.816 728 S HN 1.215 nan 8.310 nan 0.000 0.626 729 V N 3.206 123.280 119.914 0.268 0.000 2.864 729 V HA 0.046 4.166 4.120 -0.000 0.000 0.275 729 V C 0.620 177.055 176.094 0.569 0.000 0.972 729 V CA 0.618 63.158 62.300 0.399 0.000 1.176 729 V CB -1.335 30.675 31.823 0.311 0.000 0.838 729 V HN 0.602 nan 8.190 nan 0.000 0.454 730 S N 5.885 121.839 115.700 0.422 0.000 3.208 730 S HA 0.255 4.725 4.470 -0.000 0.000 0.195 730 S C -0.371 174.500 174.600 0.452 0.000 1.394 730 S CA -0.806 57.597 58.200 0.338 0.000 1.127 730 S CB -0.475 62.827 63.200 0.169 0.000 1.282 730 S HN 0.740 nan 8.310 nan 0.000 0.513 731 W N 4.109 125.718 121.300 0.516 0.000 2.316 731 W HA 0.464 5.124 4.660 -0.000 0.000 0.311 731 W C -2.406 174.362 176.519 0.415 0.000 1.217 731 W CA -1.506 56.035 57.345 0.327 0.000 1.199 731 W CB 1.041 30.552 29.460 0.084 0.000 1.202 731 W HN 0.356 nan 8.180 nan 0.000 0.528 732 P HA 0.677 nan 4.420 nan 0.000 0.286 732 P C -0.612 176.556 177.300 -0.220 0.000 1.292 732 P CA -0.639 62.180 63.100 -0.469 0.000 0.842 732 P CB 1.860 33.112 31.700 -0.746 0.000 1.207 733 G N -0.045 108.581 108.800 -0.291 0.000 2.508 733 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.232 733 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.232 733 G C -0.566 174.255 174.900 -0.132 0.000 1.450 733 G CA -0.683 44.305 45.100 -0.187 0.000 0.923 733 G HN 0.511 nan 8.290 nan 0.000 0.559 734 N N 2.224 120.839 118.700 -0.143 0.000 3.178 734 N HA 0.160 4.900 4.740 -0.000 0.000 0.300 734 N C 0.030 175.501 175.510 -0.065 0.000 1.242 734 N CA 0.002 53.004 53.050 -0.079 0.000 1.192 734 N CB 0.307 38.748 38.487 -0.078 0.000 1.463 734 N HN 0.527 nan 8.380 nan 0.000 0.539 735 D N 0.650 121.013 120.400 -0.062 0.000 3.205 735 D HA -0.178 4.462 4.640 -0.000 0.000 0.227 735 D C 0.858 177.119 176.300 -0.066 0.000 1.171 735 D CA 0.665 54.633 54.000 -0.054 0.000 0.929 735 D CB 0.216 40.996 40.800 -0.032 0.000 0.900 735 D HN 0.394 nan 8.370 nan 0.000 0.404 736 R N 0.977 121.424 120.500 -0.088 0.000 2.009 736 R HA 0.167 4.507 4.340 -0.000 0.000 0.206 736 R C 2.312 178.566 176.300 -0.076 0.000 1.356 736 R CA 1.123 57.169 56.100 -0.090 0.000 1.088 736 R CB -0.799 29.428 30.300 -0.121 0.000 0.959 736 R HN 0.394 nan 8.270 nan 0.000 0.469 737 L N -1.705 119.465 121.223 -0.088 0.000 1.988 737 L HA 0.229 4.569 4.340 -0.000 0.000 0.207 737 L C 1.018 177.852 176.870 -0.061 0.000 1.071 737 L CA 1.901 56.697 54.840 -0.073 0.000 0.744 737 L CB -0.227 41.782 42.059 -0.083 0.000 0.893 737 L HN 0.236 nan 8.230 nan 0.000 0.433 738 L N -2.399 118.790 121.223 -0.055 0.000 5.593 738 L HA -0.009 4.331 4.340 -0.000 0.000 0.581 738 L C 0.289 177.150 176.870 -0.016 0.000 0.607 738 L CA 0.664 55.488 54.840 -0.026 0.000 2.482 738 L CB -0.236 41.818 42.059 -0.009 0.000 2.063 738 L HN 0.479 nan 8.230 nan 0.000 0.558 739 T N -3.300 111.225 114.554 -0.049 0.000 3.624 739 T HA 0.380 4.730 4.350 -0.000 0.000 0.244 739 T C -2.000 172.607 174.700 -0.155 0.000 1.063 739 T CA -1.304 60.754 62.100 -0.071 0.000 1.252 739 T CB 0.620 69.460 68.868 -0.047 0.000 1.021 739 T HN -0.231 nan 8.240 nan 0.000 0.590 740 P HA -0.283 nan 4.420 nan 0.000 0.233 740 P C 0.742 177.858 177.300 -0.306 0.000 0.771 740 P CA 1.685 64.671 63.100 -0.190 0.000 1.081 740 P CB -0.154 31.483 31.700 -0.104 0.000 0.741 741 N N 1.313 119.897 118.700 -0.193 0.000 2.542 741 N HA -0.015 4.725 4.740 -0.000 0.000 0.234 741 N C -0.156 175.234 175.510 -0.200 0.000 1.257 741 N CA 0.589 53.547 53.050 -0.154 0.000 0.883 741 N CB -0.322 38.154 38.487 -0.017 0.000 1.197 741 N HN 0.484 nan 8.380 nan 0.000 0.488 742 E N 0.804 120.726 120.200 -0.464 0.000 2.260 742 E HA 0.275 4.625 4.350 -0.000 0.000 0.266 742 E C -1.146 175.151 176.600 -0.504 0.000 0.887 742 E CA -0.581 55.643 56.400 -0.293 0.000 0.777 742 E CB 1.101 30.718 29.700 -0.138 0.000 1.205 742 E HN 0.058 nan 8.360 nan 0.000 0.414 743 F N 1.644 121.599 119.950 0.008 0.000 2.443 743 F HA 0.237 4.764 4.527 -0.000 0.000 0.369 743 F C 0.455 176.284 175.800 0.048 0.000 1.090 743 F CA -0.763 57.256 58.000 0.032 0.000 1.129 743 F CB 1.063 40.053 39.000 -0.017 0.000 1.367 743 F HN 0.108 nan 8.300 nan 0.000 0.465 744 E N 4.046 124.357 120.200 0.185 0.000 2.115 744 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 744 E C 0.436 177.151 176.600 0.193 0.000 0.987 744 E CA -0.092 56.404 56.400 0.159 0.000 0.797 744 E CB 2.045 31.810 29.700 0.109 0.000 1.086 744 E HN 0.660 nan 8.360 nan 0.000 0.397 745 I N 2.337 123.019 120.570 0.187 0.000 3.877 745 I HA 0.121 4.291 4.170 -0.000 0.000 0.332 745 I C 0.292 176.571 176.117 0.270 0.000 1.525 745 I CA 0.148 61.577 61.300 0.216 0.000 1.146 745 I CB 0.247 38.277 38.000 0.051 0.000 1.137 745 I HN 0.240 nan 8.210 nan 0.000 0.424 746 K N 1.856 122.396 120.400 0.232 0.000 2.232 746 K HA 0.103 4.423 4.320 -0.000 0.000 0.348 746 K C -0.510 176.197 176.600 0.179 0.000 1.653 746 K CA -0.263 56.181 56.287 0.262 0.000 1.028 746 K CB 0.544 33.210 32.500 0.276 0.000 1.411 746 K HN 0.032 nan 8.250 nan 0.000 0.463 747 R N 1.924 122.515 120.500 0.151 0.000 4.394 747 R HA 0.090 4.430 4.340 -0.000 0.000 0.257 747 R C 0.067 176.435 176.300 0.112 0.000 1.727 747 R CA 0.127 56.294 56.100 0.111 0.000 1.497 747 R CB 0.039 30.393 30.300 0.090 0.000 1.406 747 R HN 0.426 nan 8.270 nan 0.000 0.745 748 S N 1.372 117.150 115.700 0.130 0.000 3.319 748 S HA -0.135 4.335 4.470 -0.000 0.000 0.201 748 S C -0.050 174.614 174.600 0.107 0.000 0.445 748 S CA 0.764 59.042 58.200 0.129 0.000 1.746 748 S CB -1.288 61.985 63.200 0.121 0.000 0.963 748 S HN 0.407 nan 8.310 nan 0.000 0.424 749 V N 1.516 121.494 119.914 0.106 0.000 3.585 749 V HA -0.111 4.009 4.120 -0.000 0.000 0.489 749 V C -0.323 175.812 176.094 0.068 0.000 0.682 749 V CA 0.965 63.316 62.300 0.086 0.000 2.013 749 V CB -1.208 30.665 31.823 0.083 0.000 2.442 749 V HN 0.846 nan 8.190 nan 0.000 0.504 750 D N 3.185 123.623 120.400 0.064 0.000 2.687 750 D HA 0.472 5.112 4.640 -0.000 0.000 0.213 750 D C 0.348 176.686 176.300 0.062 0.000 1.218 750 D CA 0.537 54.565 54.000 0.047 0.000 0.768 750 D CB 1.931 42.749 40.800 0.030 0.000 1.855 750 D HN 1.860 nan 8.370 nan 0.000 0.508 751 G N 3.172 112.003 108.800 0.051 0.000 2.528 751 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.231 751 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.231 751 G C 0.888 175.954 174.900 0.276 0.000 0.143 751 G CA 0.235 45.408 45.100 0.122 0.000 1.122 751 G HN 0.473 nan 8.290 nan 0.000 0.525 752 E N 1.843 122.150 120.200 0.179 0.000 2.418 752 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 752 E C 2.538 179.134 176.600 -0.007 0.000 1.026 752 E CA 1.000 57.455 56.400 0.091 0.000 0.862 752 E CB -0.275 29.446 29.700 0.035 0.000 0.799 752 E HN 0.697 nan 8.360 nan 0.000 0.518 753 G N -0.134 108.632 108.800 -0.056 0.000 2.432 753 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 753 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 753 G C 1.180 175.738 174.900 -0.571 0.000 1.135 753 G CA 0.703 45.564 45.100 -0.399 0.000 0.767 753 G HN 0.260 nan 8.290 nan 0.000 0.550 754 Y N 0.759 121.025 120.300 -0.057 0.000 2.228 754 Y HA 0.110 4.660 4.550 -0.000 0.000 0.267 754 Y C 1.618 177.469 175.900 -0.081 0.000 1.072 754 Y CA 0.157 58.218 58.100 -0.066 0.000 1.068 754 Y CB -1.165 37.268 38.460 -0.044 0.000 1.015 754 Y HN 0.089 nan 8.280 nan 0.000 0.474 755 N N 0.739 119.513 118.700 0.122 0.000 2.139 755 N HA -0.013 4.727 4.740 -0.000 0.000 0.251 755 N C -0.832 174.642 175.510 -0.060 0.000 1.227 755 N CA 0.728 53.799 53.050 0.036 0.000 0.839 755 N CB 0.302 38.822 38.487 0.054 0.000 1.081 755 N HN 0.223 nan 8.380 nan 0.000 0.460 756 V N 0.312 120.168 119.914 -0.097 0.000 3.249 756 V HA 0.540 4.660 4.120 -0.000 0.000 0.268 756 V C -0.275 175.698 176.094 -0.201 0.000 1.840 756 V CA -0.013 62.174 62.300 -0.189 0.000 1.002 756 V CB 0.826 32.452 31.823 -0.328 0.000 1.310 756 V HN 1.225 nan 8.190 nan 0.000 0.473 757 A N 0.582 123.263 122.820 -0.232 0.000 3.686 757 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 757 A C 0.768 178.318 177.584 -0.055 0.000 1.167 757 A CA 2.132 54.087 52.037 -0.136 0.000 1.575 757 A CB -1.704 17.235 19.000 -0.101 0.000 0.948 757 A HN 1.874 nan 8.150 nan 0.000 0.820 758 Q N -3.629 116.134 119.800 -0.062 0.000 5.520 758 Q HA -0.245 4.095 4.340 -0.000 0.000 0.275 758 Q C 0.985 177.004 176.000 0.032 0.000 2.073 758 Q CA 2.941 58.733 55.803 -0.019 0.000 0.524 758 Q CB -2.669 26.062 28.738 -0.012 0.000 0.371 758 Q HN 1.996 nan 8.270 nan 0.000 0.780 759 C N 1.148 120.490 119.300 0.071 0.000 2.644 759 C HA 0.606 5.066 4.460 -0.000 0.000 0.330 759 C C 0.984 176.060 174.990 0.144 0.000 1.606 759 C CA -0.188 58.916 59.018 0.144 0.000 2.115 759 C CB -0.480 27.411 27.740 0.251 0.000 1.990 759 C HN 0.686 nan 8.230 nan 0.000 0.581 760 N N 0.906 119.729 118.700 0.205 0.000 2.971 760 N HA 0.203 4.943 4.740 -0.000 0.000 0.294 760 N C -0.695 174.947 175.510 0.221 0.000 1.210 760 N CA 0.386 53.548 53.050 0.186 0.000 1.157 760 N CB -0.399 38.198 38.487 0.184 0.000 1.450 760 N HN 0.816 nan 8.380 nan 0.000 0.527 761 M N 0.184 119.856 119.600 0.121 0.000 2.812 761 M HA 0.507 4.987 4.480 -0.000 0.000 0.285 761 M C -1.034 175.267 176.300 0.003 0.000 1.216 761 M CA -0.438 54.897 55.300 0.059 0.000 0.749 761 M CB 2.211 34.750 32.600 -0.101 0.000 1.756 761 M HN 0.290 nan 8.290 nan 0.000 0.439 762 T N 0.217 114.748 114.554 -0.037 0.000 2.840 762 T HA 0.305 4.655 4.350 -0.000 0.000 0.317 762 T C -0.875 173.721 174.700 -0.173 0.000 1.401 762 T CA -0.841 61.208 62.100 -0.085 0.000 1.028 762 T CB 1.557 70.438 68.868 0.021 0.000 1.317 762 T HN 0.504 nan 8.240 nan 0.000 0.495 763 K N 0.904 121.133 120.400 -0.286 0.000 2.589 763 K HA 0.214 4.534 4.320 -0.000 0.000 0.204 763 K C 0.627 177.228 176.600 0.002 0.000 1.029 763 K CA 0.119 56.221 56.287 -0.308 0.000 1.177 763 K CB -0.113 32.135 32.500 -0.419 0.000 0.902 763 K HN 0.369 nan 8.250 nan 0.000 0.501 764 D N 0.060 120.481 120.400 0.035 0.000 2.110 764 D HA -0.137 4.503 4.640 -0.000 0.000 0.202 764 D C 1.409 177.797 176.300 0.147 0.000 0.975 764 D CA 0.906 54.935 54.000 0.049 0.000 0.839 764 D CB -0.144 40.685 40.800 0.048 0.000 0.996 764 D HN 0.459 nan 8.370 nan 0.000 0.464 765 W N 1.333 122.667 121.300 0.057 0.000 2.633 765 W HA 0.055 4.715 4.660 -0.000 0.000 0.295 765 W C 0.338 176.869 176.519 0.019 0.000 1.133 765 W CA -0.488 56.878 57.345 0.035 0.000 1.490 765 W CB -0.347 29.065 29.460 -0.080 0.000 1.127 765 W HN -0.165 nan 8.180 nan 0.000 0.538 766 F N 3.182 122.713 119.950 -0.697 0.000 1.897 766 F HA -0.155 4.372 4.527 -0.000 0.000 0.248 766 F C 0.856 176.180 175.800 -0.792 0.000 0.585 766 F CA 2.287 59.811 58.000 -0.793 0.000 0.801 766 F CB -0.025 38.767 39.000 -0.346 0.000 0.786 766 F HN 0.391 nan 8.300 nan 0.000 0.620 767 L N 2.868 123.064 121.223 -1.712 0.000 6.889 767 L HA -0.472 3.868 4.340 -0.000 0.000 0.053 767 L C 1.400 177.715 176.870 -0.925 0.000 1.907 767 L CA 2.197 56.292 54.840 -1.241 0.000 1.578 767 L CB -1.640 39.789 42.059 -1.050 0.000 2.819 767 L HN 1.267 nan 8.230 nan 0.000 1.095 768 V N -2.210 117.356 119.914 -0.581 0.000 0.438 768 V HA -0.477 3.643 4.120 -0.000 0.000 0.089 768 V C 1.835 177.783 176.094 -0.243 0.000 2.664 768 V CA 2.923 64.978 62.300 -0.407 0.000 3.764 768 V CB -1.600 29.838 31.823 -0.641 0.000 1.054 768 V HN 0.964 nan 8.190 nan 0.000 1.093 769 Q N -0.850 118.726 119.800 -0.372 0.000 2.354 769 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 769 Q C 1.711 177.656 176.000 -0.092 0.000 0.933 769 Q CA 1.602 57.281 55.803 -0.206 0.000 0.901 769 Q CB -0.106 28.433 28.738 -0.331 0.000 1.007 769 Q HN 0.678 nan 8.270 nan 0.000 0.495 770 M N 0.663 120.281 119.600 0.031 0.000 2.571 770 M HA 0.308 4.788 4.480 -0.000 0.000 0.235 770 M C 0.236 176.587 176.300 0.086 0.000 1.216 770 M CA 0.164 55.593 55.300 0.215 0.000 0.979 770 M CB -0.070 32.583 32.600 0.089 0.000 1.616 770 M HN 0.229 nan 8.290 nan 0.000 0.469 771 L N -2.269 118.990 121.223 0.060 0.000 2.692 771 L HA 0.420 4.760 4.340 -0.000 0.000 0.175 771 L C 1.820 178.766 176.870 0.128 0.000 1.112 771 L CA 0.481 55.369 54.840 0.079 0.000 0.908 771 L CB -1.103 40.981 42.059 0.043 0.000 1.672 771 L HN 0.082 nan 8.230 nan 0.000 0.500 772 A N 1.377 124.276 122.820 0.132 0.000 2.245 772 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 772 A C 1.444 179.129 177.584 0.167 0.000 1.171 772 A CA 2.388 54.525 52.037 0.167 0.000 0.688 772 A CB -0.887 18.237 19.000 0.207 0.000 0.781 772 A HN 0.790 nan 8.150 nan 0.000 0.479 773 N N -3.724 115.079 118.700 0.171 0.000 3.046 773 N HA 0.084 4.824 4.740 -0.000 0.000 0.240 773 N C 1.213 176.956 175.510 0.387 0.000 1.017 773 N CA 0.566 53.752 53.050 0.228 0.000 1.126 773 N CB -0.172 38.373 38.487 0.097 0.000 1.642 773 N HN 0.091 nan 8.380 nan 0.000 0.548 774 Y N 0.304 120.698 120.300 0.158 0.000 2.389 774 Y HA 0.358 4.908 4.550 -0.000 0.000 0.292 774 Y C -0.267 175.705 175.900 0.121 0.000 1.117 774 Y CA -0.256 57.935 58.100 0.151 0.000 1.195 774 Y CB -0.715 37.857 38.460 0.187 0.000 1.076 774 Y HN 0.133 nan 8.280 nan 0.000 0.548 775 N N -0.479 118.386 118.700 0.275 0.000 4.213 775 N HA -0.137 4.603 4.740 -0.000 0.000 0.325 775 N C -1.237 174.319 175.510 0.075 0.000 2.172 775 N CA 0.822 53.960 53.050 0.146 0.000 2.937 775 N CB -0.798 37.767 38.487 0.129 0.000 0.317 775 N HN 0.276 nan 8.380 nan 0.000 0.727 776 I N -1.301 119.252 120.570 -0.029 0.000 1.590 776 I HA 0.430 4.600 4.170 -0.000 0.000 0.314 776 I C 0.535 176.477 176.117 -0.292 0.000 3.144 776 I CA 0.319 61.509 61.300 -0.182 0.000 1.036 776 I CB 0.476 38.378 38.000 -0.163 0.000 2.509 776 I HN 0.817 nan 8.210 nan 0.000 0.693 777 G N 0.926 109.400 108.800 -0.543 0.000 4.130 777 G HA2 0.107 4.067 3.960 -0.000 0.000 0.162 777 G HA3 0.107 4.067 3.960 -0.000 0.000 0.162 777 G C -0.112 174.645 174.900 -0.238 0.000 1.099 777 G CA 0.823 45.669 45.100 -0.423 0.000 0.889 777 G HN 0.685 nan 8.290 nan 0.000 0.547 778 Y N -1.421 118.899 120.300 0.034 0.000 3.213 778 Y HA 0.449 4.999 4.550 -0.000 0.000 0.168 778 Y C 2.401 178.012 175.900 -0.482 0.000 0.880 778 Y CA 0.632 58.711 58.100 -0.035 0.000 1.806 778 Y CB -0.614 37.843 38.460 -0.006 0.000 1.369 778 Y HN -0.024 nan 8.280 nan 0.000 0.377 779 Q N 1.573 121.381 119.800 0.013 0.000 2.221 779 Q HA -0.189 4.151 4.340 -0.000 0.000 0.220 779 Q C 0.344 176.034 176.000 -0.516 0.000 1.057 779 Q CA 2.301 58.020 55.803 -0.141 0.000 0.949 779 Q CB -0.630 28.094 28.738 -0.023 0.000 1.077 779 Q HN 0.770 nan 8.270 nan 0.000 0.436 780 G N -2.149 106.032 108.800 -1.033 0.000 2.556 780 G HA2 0.420 4.380 3.960 -0.000 0.000 0.294 780 G HA3 0.420 4.380 3.960 -0.000 0.000 0.294 780 G C -1.553 172.254 174.900 -1.821 0.000 1.516 780 G CA -0.748 43.376 45.100 -1.628 0.000 0.824 780 G HN 0.144 nan 8.290 nan 0.000 0.535 781 F N 1.039 120.493 119.950 -0.826 0.000 2.550 781 F HA 0.467 4.994 4.527 -0.000 0.000 0.348 781 F C -0.230 175.361 175.800 -0.349 0.000 1.219 781 F CA -1.211 56.481 58.000 -0.512 0.000 1.203 781 F CB 0.269 39.079 39.000 -0.317 0.000 1.436 781 F HN 0.449 nan 8.300 nan 0.000 0.541 782 Y N -0.462 119.841 120.300 0.005 0.000 2.453 782 Y HA 0.786 5.336 4.550 -0.000 0.000 0.326 782 Y C 0.022 175.911 175.900 -0.019 0.000 1.186 782 Y CA -1.946 56.139 58.100 -0.024 0.000 1.200 782 Y CB 0.956 39.380 38.460 -0.059 0.000 1.247 782 Y HN 0.118 nan 8.280 nan 0.000 0.482 783 I N 2.481 123.124 120.570 0.121 0.000 2.396 783 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 783 I C -2.205 173.926 176.117 0.023 0.000 0.999 783 I CA -2.049 59.293 61.300 0.070 0.000 1.310 783 I CB 0.308 38.281 38.000 -0.046 0.000 1.404 783 I HN 0.389 nan 8.210 nan 0.000 0.496 784 P HA -0.203 nan 4.420 nan 0.000 0.262 784 P C 0.026 177.224 177.300 -0.171 0.000 1.118 784 P CA 0.593 63.612 63.100 -0.135 0.000 0.754 784 P CB 0.342 31.984 31.700 -0.097 0.000 0.706 785 E N 1.856 121.902 120.200 -0.256 0.000 2.505 785 E HA 0.018 4.368 4.350 -0.000 0.000 0.197 785 E C 1.119 177.399 176.600 -0.534 0.000 1.111 785 E CA 0.754 56.929 56.400 -0.374 0.000 0.887 785 E CB -0.145 29.313 29.700 -0.404 0.000 0.913 785 E HN 0.435 nan 8.360 nan 0.000 0.517 786 S N -1.735 113.727 115.700 -0.396 0.000 3.137 786 S HA -0.246 4.224 4.470 -0.000 0.000 0.254 786 S C 0.445 174.882 174.600 -0.272 0.000 1.416 786 S CA 0.617 58.611 58.200 -0.344 0.000 3.161 786 S CB -1.627 61.319 63.200 -0.424 0.000 0.521 786 S HN 0.460 nan 8.310 nan 0.000 0.472 787 Y N 2.008 122.281 120.300 -0.045 0.000 2.547 787 Y HA 0.651 5.201 4.550 -0.000 0.000 0.325 787 Y C 0.801 176.668 175.900 -0.054 0.000 1.165 787 Y CA 0.131 58.208 58.100 -0.039 0.000 1.300 787 Y CB -0.276 38.164 38.460 -0.033 0.000 1.126 787 Y HN 0.161 nan 8.280 nan 0.000 0.513 788 K N 0.160 120.511 120.400 -0.083 0.000 2.734 788 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 788 K C -0.923 175.574 176.600 -0.171 0.000 1.120 788 K CA -0.178 56.051 56.287 -0.096 0.000 1.067 788 K CB 0.577 32.997 32.500 -0.134 0.000 0.771 788 K HN 0.069 nan 8.250 nan 0.000 0.481 789 D N 2.426 122.767 120.400 -0.098 0.000 2.467 789 D HA 0.134 4.774 4.640 -0.000 0.000 0.220 789 D C -0.155 176.166 176.300 0.035 0.000 1.103 789 D CA -0.204 53.770 54.000 -0.043 0.000 0.886 789 D CB 0.527 41.320 40.800 -0.012 0.000 1.025 789 D HN -0.023 nan 8.370 nan 0.000 0.514 790 R N 2.701 123.249 120.500 0.080 0.000 2.602 790 R HA 0.587 4.927 4.340 -0.000 0.000 0.237 790 R C 0.756 177.265 176.300 0.348 0.000 1.219 790 R CA -0.596 55.627 56.100 0.205 0.000 1.121 790 R CB 0.304 30.759 30.300 0.259 0.000 1.408 790 R HN 0.420 nan 8.270 nan 0.000 0.559 791 M N -1.688 118.118 119.600 0.344 0.000 2.088 791 M HA 0.256 4.736 4.480 -0.000 0.000 0.410 791 M C -0.211 176.282 176.300 0.322 0.000 0.861 791 M CA 0.170 55.673 55.300 0.337 0.000 1.102 791 M CB 0.708 33.483 32.600 0.292 0.000 2.196 791 M HN 0.263 nan 8.290 nan 0.000 0.741 792 Y N 1.521 121.876 120.300 0.091 0.000 2.683 792 Y HA 0.352 4.902 4.550 -0.000 0.000 0.297 792 Y C 1.433 177.341 175.900 0.013 0.000 1.147 792 Y CA -0.308 57.817 58.100 0.042 0.000 1.274 792 Y CB 0.045 38.517 38.460 0.020 0.000 1.143 792 Y HN 0.199 nan 8.280 nan 0.000 0.527 793 S N -1.825 113.892 115.700 0.027 0.000 2.691 793 S HA 0.224 4.694 4.470 -0.000 0.000 0.241 793 S C 0.093 174.573 174.600 -0.199 0.000 1.077 793 S CA 0.108 58.229 58.200 -0.131 0.000 0.900 793 S CB 0.603 63.632 63.200 -0.286 0.000 0.805 793 S HN 0.127 nan 8.310 nan 0.000 0.529 794 F N -0.267 119.562 119.950 -0.201 0.000 3.141 794 F HA 0.508 5.035 4.527 -0.000 0.000 0.346 794 F C 0.956 176.810 175.800 0.089 0.000 1.368 794 F CA -2.634 55.331 58.000 -0.059 0.000 1.063 794 F CB -0.444 38.466 39.000 -0.150 0.000 1.593 794 F HN 0.064 nan 8.300 nan 0.000 0.482 795 F N 2.290 122.494 119.950 0.423 0.000 2.263 795 F HA -0.483 4.044 4.527 -0.000 0.000 0.243 795 F C 2.323 178.203 175.800 0.133 0.000 1.162 795 F CA 3.154 61.230 58.000 0.126 0.000 1.682 795 F CB -0.661 38.335 39.000 -0.007 0.000 0.738 795 F HN 0.472 nan 8.300 nan 0.000 0.438 796 R N 0.158 120.692 120.500 0.056 0.000 2.429 796 R HA -0.209 4.131 4.340 -0.000 0.000 0.249 796 R C 0.538 176.761 176.300 -0.128 0.000 1.203 796 R CA 1.463 57.516 56.100 -0.077 0.000 1.062 796 R CB -0.918 29.431 30.300 0.080 0.000 0.849 796 R HN 0.521 nan 8.270 nan 0.000 0.494 797 N N -0.950 117.726 118.700 -0.040 0.000 2.143 797 N HA 0.118 4.858 4.740 -0.000 0.000 0.222 797 N C -0.791 174.848 175.510 0.215 0.000 1.264 797 N CA 0.012 53.068 53.050 0.010 0.000 0.897 797 N CB 0.790 39.254 38.487 -0.039 0.000 1.092 797 N HN 0.085 nan 8.380 nan 0.000 0.516 798 F N 1.513 121.465 119.950 0.004 0.000 2.719 798 F HA 0.447 4.974 4.527 -0.000 0.000 0.309 798 F C -2.082 173.731 175.800 0.021 0.000 1.138 798 F CA -0.667 57.386 58.000 0.089 0.000 0.943 798 F CB 0.973 40.119 39.000 0.244 0.000 1.304 798 F HN -0.142 nan 8.300 nan 0.000 0.445 799 Q N 2.840 122.263 119.800 -0.629 0.000 2.594 799 Q HA 0.415 4.755 4.340 -0.000 0.000 0.278 799 Q C -3.218 172.595 176.000 -0.311 0.000 0.961 799 Q CA -1.956 53.425 55.803 -0.704 0.000 0.844 799 Q CB 1.964 30.533 28.738 -0.282 0.000 1.475 799 Q HN 0.331 nan 8.270 nan 0.000 0.389 800 P HA 0.318 nan 4.420 nan 0.000 0.291 800 P C -0.584 176.785 177.300 0.116 0.000 1.287 800 P CA -0.203 62.968 63.100 0.120 0.000 0.767 800 P CB 0.572 32.299 31.700 0.046 0.000 1.290 801 M N -2.091 117.585 119.600 0.127 0.000 2.949 801 M HA 0.522 5.002 4.480 -0.000 0.000 0.270 801 M C -1.657 174.752 176.300 0.182 0.000 1.221 801 M CA -0.269 55.081 55.300 0.083 0.000 0.818 801 M CB 1.858 34.378 32.600 -0.134 0.000 1.635 801 M HN 0.355 nan 8.290 nan 0.000 0.492 802 S N 0.548 116.461 115.700 0.355 0.000 2.751 802 S HA 0.548 5.018 4.470 -0.000 0.000 0.289 802 S C -2.345 172.514 174.600 0.433 0.000 0.965 802 S CA -0.814 57.642 58.200 0.426 0.000 0.855 802 S CB 1.006 64.336 63.200 0.217 0.000 1.068 802 S HN 0.896 nan 8.310 nan 0.000 0.462 803 R N 2.655 123.272 120.500 0.196 0.000 2.659 803 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 803 R C -1.157 175.072 176.300 -0.118 0.000 1.253 803 R CA -0.623 55.394 56.100 -0.137 0.000 1.010 803 R CB 0.449 30.289 30.300 -0.767 0.000 1.236 803 R HN 0.443 nan 8.270 nan 0.000 0.413 804 Q N 2.971 122.726 119.800 -0.074 0.000 2.683 804 Q HA 0.066 4.406 4.340 -0.000 0.000 0.199 804 Q C 0.288 176.230 176.000 -0.097 0.000 1.057 804 Q CA 0.028 55.793 55.803 -0.062 0.000 0.959 804 Q CB -0.018 28.690 28.738 -0.049 0.000 1.683 804 Q HN 0.551 nan 8.270 nan 0.000 0.423 805 V N -1.038 118.802 119.914 -0.123 0.000 3.367 805 V HA -0.036 4.084 4.120 -0.000 0.000 0.304 805 V C 1.313 177.357 176.094 -0.083 0.000 1.131 805 V CA -0.211 62.011 62.300 -0.130 0.000 1.233 805 V CB -0.496 31.246 31.823 -0.135 0.000 1.021 805 V HN 0.371 nan 8.190 nan 0.000 0.497 806 V N -1.083 118.786 119.914 -0.074 0.000 3.976 806 V HA 0.289 4.409 4.120 -0.000 0.000 0.288 806 V C 0.062 176.124 176.094 -0.054 0.000 1.047 806 V CA 0.414 62.687 62.300 -0.045 0.000 1.072 806 V CB 0.347 32.141 31.823 -0.048 0.000 1.191 806 V HN 1.151 nan 8.190 nan 0.000 0.464 807 D N -1.848 118.503 120.400 -0.082 0.000 2.966 807 D HA 0.315 4.955 4.640 -0.000 0.000 0.222 807 D C -0.152 176.117 176.300 -0.052 0.000 1.292 807 D CA -0.367 53.600 54.000 -0.055 0.000 0.907 807 D CB 2.099 42.860 40.800 -0.066 0.000 1.621 807 D HN 0.598 nan 8.370 nan 0.000 0.557 808 D N 1.056 121.516 120.400 0.100 0.000 2.075 808 D HA -0.081 4.559 4.640 -0.000 0.000 0.196 808 D C 1.558 178.046 176.300 0.314 0.000 0.985 808 D CA 2.147 56.326 54.000 0.298 0.000 0.834 808 D CB 0.208 41.134 40.800 0.210 0.000 0.987 808 D HN 0.527 nan 8.370 nan 0.000 0.452 809 T N 0.592 115.248 114.554 0.171 0.000 2.443 809 T HA -0.150 4.200 4.350 -0.000 0.000 0.248 809 T C 1.035 175.830 174.700 0.159 0.000 1.247 809 T CA 0.764 62.955 62.100 0.151 0.000 1.261 809 T CB -0.269 68.651 68.868 0.088 0.000 0.867 809 T HN -0.083 nan 8.240 nan 0.000 0.394 810 K N 1.687 122.144 120.400 0.095 0.000 2.267 810 K HA 0.330 4.650 4.320 -0.000 0.000 0.282 810 K C -1.510 175.149 176.600 0.098 0.000 1.078 810 K CA -0.265 56.072 56.287 0.084 0.000 0.903 810 K CB 0.484 33.014 32.500 0.049 0.000 1.111 810 K HN 0.425 nan 8.250 nan 0.000 0.475 811 Y N 2.456 122.721 120.300 -0.058 0.000 2.597 811 Y HA 0.165 4.715 4.550 -0.000 0.000 0.340 811 Y C 0.645 176.516 175.900 -0.049 0.000 1.097 811 Y CA -1.369 56.653 58.100 -0.130 0.000 1.037 811 Y CB 1.208 39.491 38.460 -0.295 0.000 1.305 811 Y HN 0.323 nan 8.280 nan 0.000 0.463 812 K N 1.185 121.267 120.400 -0.529 0.000 2.015 812 K HA -0.106 4.214 4.320 -0.000 0.000 0.216 812 K C -0.701 175.603 176.600 -0.493 0.000 1.052 812 K CA 2.228 58.205 56.287 -0.518 0.000 0.937 812 K CB -0.485 31.709 32.500 -0.509 0.000 0.719 812 K HN 0.808 nan 8.250 nan 0.000 0.446 813 D N -1.153 118.776 120.400 -0.786 0.000 2.549 813 D HA 0.237 4.877 4.640 -0.000 0.000 0.251 813 D C -0.722 175.586 176.300 0.014 0.000 1.153 813 D CA -0.435 53.389 54.000 -0.294 0.000 0.861 813 D CB 1.074 41.743 40.800 -0.219 0.000 1.207 813 D HN -0.049 nan 8.370 nan 0.000 0.543 814 Y N 0.855 121.129 120.300 -0.044 0.000 2.624 814 Y HA 0.371 4.921 4.550 -0.000 0.000 0.334 814 Y C -1.508 174.430 175.900 0.063 0.000 1.155 814 Y CA -0.494 57.664 58.100 0.097 0.000 1.046 814 Y CB 1.993 40.580 38.460 0.211 0.000 1.316 814 Y HN 0.441 nan 8.280 nan 0.000 0.457 815 Q N 1.599 120.956 119.800 -0.738 0.000 2.736 815 Q HA 0.273 4.613 4.340 -0.000 0.000 0.273 815 Q C -1.767 173.729 176.000 -0.840 0.000 0.948 815 Q CA -1.151 54.310 55.803 -0.571 0.000 0.854 815 Q CB 2.002 30.584 28.738 -0.259 0.000 1.569 815 Q HN 0.665 nan 8.270 nan 0.000 0.405 816 Q N 1.188 120.706 119.800 -0.470 0.000 2.349 816 Q HA 0.242 4.582 4.340 -0.000 0.000 0.287 816 Q C 0.223 176.075 176.000 -0.247 0.000 1.044 816 Q CA -0.159 55.455 55.803 -0.315 0.000 0.918 816 Q CB 0.798 29.451 28.738 -0.143 0.000 1.242 816 Q HN 0.509 nan 8.270 nan 0.000 0.405 817 V N 2.080 121.892 119.914 -0.170 0.000 4.119 817 V HA 0.157 4.277 4.120 -0.000 0.000 0.286 817 V C 0.834 176.868 176.094 -0.100 0.000 0.996 817 V CA 0.439 62.667 62.300 -0.121 0.000 1.027 817 V CB -0.344 31.420 31.823 -0.098 0.000 1.193 817 V HN 0.963 nan 8.190 nan 0.000 0.454 818 G N -1.366 107.392 108.800 -0.070 0.000 3.191 818 G HA2 0.443 4.403 3.960 -0.000 0.000 0.309 818 G HA3 0.443 4.403 3.960 -0.000 0.000 0.309 818 G C 0.177 175.137 174.900 0.100 0.000 1.596 818 G CA -0.367 44.736 45.100 0.005 0.000 0.955 818 G HN 0.756 nan 8.290 nan 0.000 0.508 819 I N 1.087 121.655 120.570 -0.004 0.000 2.689 819 I HA -0.203 3.967 4.170 -0.000 0.000 0.267 819 I C 0.720 176.759 176.117 -0.130 0.000 1.200 819 I CA 1.308 62.559 61.300 -0.081 0.000 1.442 819 I CB 0.319 38.258 38.000 -0.101 0.000 1.117 819 I HN 0.399 nan 8.210 nan 0.000 0.464 820 L N -0.551 120.585 121.223 -0.145 0.000 3.202 820 L HA 0.241 4.581 4.340 -0.000 0.000 0.278 820 L C -0.736 175.678 176.870 -0.760 0.000 1.268 820 L CA -0.248 54.311 54.840 -0.468 0.000 1.034 820 L CB 0.120 41.878 42.059 -0.502 0.000 1.407 820 L HN 0.137 nan 8.230 nan 0.000 0.581 821 H N -1.760 117.258 119.070 -0.087 0.000 3.061 821 H HA 0.257 4.813 4.556 -0.000 0.000 0.210 821 H C -0.320 174.969 175.328 -0.065 0.000 1.326 821 H CA -0.433 55.597 56.048 -0.029 0.000 1.380 821 H CB -0.346 29.415 29.762 -0.001 0.000 2.147 821 H HN 0.102 nan 8.280 nan 0.000 0.562 822 Q N 1.354 121.139 119.800 -0.024 0.000 2.186 822 Q HA 0.062 4.402 4.340 -0.000 0.000 0.241 822 Q C 0.716 176.653 176.000 -0.104 0.000 0.849 822 Q CA -0.461 55.244 55.803 -0.162 0.000 1.053 822 Q CB 0.511 29.045 28.738 -0.340 0.000 1.146 822 Q HN 0.704 nan 8.270 nan 0.000 0.475 823 H N 0.148 119.206 119.070 -0.020 0.000 2.572 823 H HA -0.031 4.525 4.556 -0.000 0.000 0.390 823 H C -0.119 175.243 175.328 0.057 0.000 1.911 823 H CA 0.788 56.836 56.048 -0.000 0.000 1.451 823 H CB 0.503 30.256 29.762 -0.014 0.000 1.568 823 H HN 0.331 nan 8.280 nan 0.000 0.566 824 N N 0.617 119.407 118.700 0.149 0.000 3.804 824 N HA -0.131 4.609 4.740 -0.000 0.000 0.127 824 N C -1.298 174.317 175.510 0.176 0.000 1.217 824 N CA 0.484 53.587 53.050 0.088 0.000 1.795 824 N CB -0.474 38.074 38.487 0.101 0.000 1.663 824 N HN 0.927 nan 8.380 nan 0.000 0.723 825 N N 0.137 119.019 118.700 0.303 0.000 2.771 825 N HA -0.188 4.552 4.740 -0.000 0.000 0.249 825 N C -0.198 175.179 175.510 -0.221 0.000 1.069 825 N CA 1.126 54.149 53.050 -0.044 0.000 0.688 825 N CB -1.375 37.053 38.487 -0.098 0.000 0.928 825 N HN 0.384 nan 8.380 nan 0.000 0.551 826 S N -0.161 115.497 115.700 -0.071 0.000 2.380 826 S HA -0.001 4.469 4.470 -0.000 0.000 0.217 826 S C 2.222 176.652 174.600 -0.283 0.000 1.036 826 S CA 2.421 60.560 58.200 -0.102 0.000 1.050 826 S CB -1.155 62.028 63.200 -0.028 0.000 1.016 826 S HN 1.257 nan 8.310 nan 0.000 0.419 827 G N 1.248 109.883 108.800 -0.274 0.000 3.352 827 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.381 827 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.381 827 G C 0.982 175.881 174.900 -0.002 0.000 2.151 827 G CA 1.951 46.913 45.100 -0.231 0.000 2.442 827 G HN 0.678 nan 8.290 nan 0.000 0.920 828 F N 0.053 120.021 119.950 0.029 0.000 2.732 828 F HA 0.428 4.955 4.527 -0.000 0.000 0.303 828 F C 1.455 177.260 175.800 0.008 0.000 1.110 828 F CA -0.190 57.820 58.000 0.016 0.000 1.355 828 F CB 0.558 39.564 39.000 0.010 0.000 1.081 828 F HN 0.070 nan 8.300 nan 0.000 0.565 829 V N -0.393 119.572 119.914 0.085 0.000 3.276 829 V HA 0.382 4.502 4.120 -0.000 0.000 0.319 829 V C 1.378 177.479 176.094 0.010 0.000 1.427 829 V CA 0.098 62.417 62.300 0.033 0.000 1.102 829 V CB -0.348 31.471 31.823 -0.007 0.000 1.020 829 V HN 0.504 nan 8.190 nan 0.000 0.456 830 G N 0.865 109.685 108.800 0.034 0.000 2.564 830 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.309 830 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.309 830 G C -0.105 174.806 174.900 0.018 0.000 1.320 830 G CA 0.710 45.834 45.100 0.039 0.000 0.941 830 G HN 0.731 nan 8.290 nan 0.000 0.543 831 Y N 1.746 121.999 120.300 -0.079 0.000 2.537 831 Y HA 0.428 4.978 4.550 -0.000 0.000 0.339 831 Y C 1.258 177.100 175.900 -0.097 0.000 1.066 831 Y CA -0.908 57.128 58.100 -0.106 0.000 1.357 831 Y CB 0.129 38.494 38.460 -0.158 0.000 1.175 831 Y HN 0.570 nan 8.280 nan 0.000 0.525 832 L N 5.893 126.759 121.223 -0.594 0.000 4.094 832 L HA -0.209 4.131 4.340 -0.000 0.000 0.466 832 L C 0.237 176.925 176.870 -0.304 0.000 0.991 832 L CA 1.757 56.306 54.840 -0.485 0.000 0.821 832 L CB -2.719 38.969 42.059 -0.619 0.000 1.201 832 L HN 0.879 nan 8.230 nan 0.000 0.757 833 A N 4.514 127.248 122.820 -0.144 0.000 2.522 833 A HA 0.589 4.909 4.320 -0.000 0.000 0.294 833 A C -2.264 175.303 177.584 -0.029 0.000 1.001 833 A CA -0.733 51.275 52.037 -0.049 0.000 0.642 833 A CB 0.878 19.878 19.000 -0.000 0.000 1.326 833 A HN 0.240 nan 8.150 nan 0.000 0.435 834 P HA 0.023 nan 4.420 nan 0.000 0.288 834 P C 0.855 178.103 177.300 -0.086 0.000 1.448 834 P CA 1.110 64.145 63.100 -0.108 0.000 0.764 834 P CB -1.293 30.295 31.700 -0.186 0.000 1.472 835 T N -3.245 111.294 114.554 -0.025 0.000 2.589 835 T HA 0.034 4.384 4.350 -0.000 0.000 0.342 835 T C 1.223 175.932 174.700 0.016 0.000 1.044 835 T CA -0.559 61.546 62.100 0.009 0.000 1.020 835 T CB 0.347 69.232 68.868 0.028 0.000 1.070 835 T HN 0.006 nan 8.240 nan 0.000 0.524 836 M N 0.797 120.423 119.600 0.042 0.000 3.208 836 M HA -0.072 4.408 4.480 -0.000 0.000 0.180 836 M C 1.336 177.676 176.300 0.068 0.000 0.956 836 M CA 1.522 56.854 55.300 0.054 0.000 0.700 836 M CB -0.028 32.609 32.600 0.063 0.000 0.624 836 M HN 0.869 nan 8.290 nan 0.000 0.505 837 R N -0.616 119.934 120.500 0.084 0.000 2.563 837 R HA 0.250 4.590 4.340 -0.000 0.000 0.443 837 R C -1.349 175.036 176.300 0.142 0.000 0.956 837 R CA -0.227 55.952 56.100 0.132 0.000 1.141 837 R CB -0.856 29.493 30.300 0.082 0.000 1.553 837 R HN 0.473 nan 8.270 nan 0.000 0.577 838 E N 0.927 121.189 120.200 0.103 0.000 1.985 838 E HA 0.537 4.887 4.350 -0.000 0.000 0.268 838 E C 0.388 177.045 176.600 0.095 0.000 1.219 838 E CA 0.227 56.680 56.400 0.089 0.000 0.942 838 E CB 0.624 30.364 29.700 0.067 0.000 1.045 838 E HN 0.504 nan 8.360 nan 0.000 0.413 839 G N 2.313 111.184 108.800 0.118 0.000 2.359 839 G HA2 0.072 4.032 3.960 -0.000 0.000 0.314 839 G HA3 0.072 4.032 3.960 -0.000 0.000 0.314 839 G C -1.567 173.416 174.900 0.138 0.000 1.364 839 G CA -1.214 43.947 45.100 0.101 0.000 0.978 839 G HN 0.472 nan 8.290 nan 0.000 0.615 840 Q N -0.486 119.368 119.800 0.091 0.000 2.235 840 Q HA 0.746 5.086 4.340 -0.000 0.000 0.250 840 Q C -0.005 176.017 176.000 0.037 0.000 0.909 840 Q CA -0.312 55.572 55.803 0.135 0.000 0.910 840 Q CB 2.003 30.847 28.738 0.176 0.000 1.223 840 Q HN 1.359 nan 8.270 nan 0.000 0.432 841 A N 2.303 125.121 122.820 -0.004 0.000 2.365 841 A HA 0.779 5.099 4.320 -0.000 0.000 0.318 841 A C -1.674 175.929 177.584 0.031 0.000 1.091 841 A CA -0.463 51.447 52.037 -0.212 0.000 0.763 841 A CB 0.960 19.369 19.000 -0.985 0.000 1.248 841 A HN 0.649 nan 8.150 nan 0.000 0.442 842 Y N 0.061 120.257 120.300 -0.173 0.000 2.715 842 Y HA 0.562 5.112 4.550 -0.000 0.000 0.331 842 Y C -2.337 173.622 175.900 0.098 0.000 1.197 842 Y CA -2.333 55.742 58.100 -0.041 0.000 1.079 842 Y CB 1.351 39.763 38.460 -0.081 0.000 1.298 842 Y HN 0.449 nan 8.280 nan 0.000 0.477 843 P HA 0.032 nan 4.420 nan 0.000 0.266 843 P C -0.603 176.822 177.300 0.209 0.000 1.186 843 P CA 0.243 63.446 63.100 0.171 0.000 0.767 843 P CB 0.237 32.017 31.700 0.134 0.000 0.820 844 A N 2.629 125.484 122.820 0.057 0.000 2.454 844 A HA -0.006 4.314 4.320 -0.000 0.000 0.256 844 A C 0.904 178.372 177.584 -0.192 0.000 1.132 844 A CA 0.773 52.761 52.037 -0.082 0.000 0.810 844 A CB -0.520 18.416 19.000 -0.106 0.000 1.083 844 A HN 0.670 nan 8.150 nan 0.000 0.516 845 N N -2.135 116.377 118.700 -0.313 0.000 2.381 845 N HA 0.320 5.060 4.740 -0.000 0.000 0.257 845 N C -1.196 174.297 175.510 -0.030 0.000 1.409 845 N CA -0.065 52.849 53.050 -0.226 0.000 0.836 845 N CB 0.309 38.521 38.487 -0.457 0.000 1.384 845 N HN 0.557 nan 8.380 nan 0.000 0.490 846 F N -0.409 119.389 119.950 -0.253 0.000 2.686 846 F HA 0.392 4.919 4.527 -0.000 0.000 0.315 846 F C -2.368 173.222 175.800 -0.350 0.000 1.088 846 F CA -1.092 56.747 58.000 -0.268 0.000 1.034 846 F CB 1.260 40.121 39.000 -0.233 0.000 1.280 846 F HN -0.110 nan 8.300 nan 0.000 0.463 847 P HA 0.215 nan 4.420 nan 0.000 0.250 847 P C -1.427 175.641 177.300 -0.386 0.000 1.202 847 P CA 0.345 62.822 63.100 -1.039 0.000 0.722 847 P CB 0.742 31.780 31.700 -1.103 0.000 1.432 848 Y N -1.038 119.024 120.300 -0.397 0.000 2.399 848 Y HA 0.266 4.816 4.550 -0.000 0.000 0.327 848 Y C -2.316 173.431 175.900 -0.255 0.000 1.111 848 Y CA -2.242 55.688 58.100 -0.284 0.000 1.047 848 Y CB 2.419 40.698 38.460 -0.301 0.000 1.259 848 Y HN 0.081 nan 8.280 nan 0.000 0.434 849 P HA 0.172 nan 4.420 nan 0.000 0.277 849 P C -0.331 176.895 177.300 -0.124 0.000 1.354 849 P CA 0.088 63.121 63.100 -0.110 0.000 0.891 849 P CB 0.725 32.366 31.700 -0.098 0.000 1.058 850 L N 3.504 124.661 121.223 -0.111 0.000 2.928 850 L HA 0.277 4.617 4.340 -0.000 0.000 0.246 850 L C 0.190 177.013 176.870 -0.079 0.000 1.239 850 L CA -0.102 54.676 54.840 -0.103 0.000 1.035 850 L CB 0.104 42.103 42.059 -0.099 0.000 1.360 850 L HN 0.240 nan 8.230 nan 0.000 0.529 851 I N 0.373 120.898 120.570 -0.075 0.000 2.442 851 I HA 0.602 4.772 4.170 -0.000 0.000 0.279 851 I C 0.759 176.845 176.117 -0.051 0.000 1.081 851 I CA -0.211 61.055 61.300 -0.057 0.000 1.197 851 I CB 0.696 38.663 38.000 -0.056 0.000 1.394 851 I HN 0.150 nan 8.210 nan 0.000 0.488 852 G N 4.170 112.943 108.800 -0.046 0.000 2.384 852 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.204 852 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.204 852 G C 0.450 175.324 174.900 -0.044 0.000 1.237 852 G CA -0.670 44.406 45.100 -0.040 0.000 1.060 852 G HN 0.337 nan 8.290 nan 0.000 0.514 853 K N 0.486 120.864 120.400 -0.038 0.000 2.585 853 K HA 0.008 4.328 4.320 -0.000 0.000 0.194 853 K C 1.520 178.092 176.600 -0.047 0.000 1.037 853 K CA 1.135 57.399 56.287 -0.038 0.000 0.964 853 K CB -0.556 31.926 32.500 -0.030 0.000 0.787 853 K HN 0.780 nan 8.250 nan 0.000 0.488 854 T N -0.011 114.508 114.554 -0.057 0.000 2.829 854 T HA 0.146 4.496 4.350 -0.000 0.000 0.293 854 T C -0.142 174.505 174.700 -0.089 0.000 0.970 854 T CA -0.434 61.622 62.100 -0.072 0.000 1.168 854 T CB 0.674 69.491 68.868 -0.086 0.000 0.911 854 T HN 0.161 nan 8.240 nan 0.000 0.535 855 A N 5.376 128.150 122.820 -0.078 0.000 2.910 855 A HA 0.535 4.855 4.320 -0.000 0.000 0.316 855 A C 0.430 177.952 177.584 -0.105 0.000 1.493 855 A CA -0.727 51.264 52.037 -0.077 0.000 1.150 855 A CB -0.401 18.576 19.000 -0.038 0.000 1.159 855 A HN 1.418 nan 8.150 nan 0.000 0.526 856 V N -0.244 119.525 119.914 -0.243 0.000 2.260 856 V HA 0.314 4.434 4.120 -0.000 0.000 0.263 856 V C -0.738 175.070 176.094 -0.476 0.000 1.036 856 V CA -1.165 60.807 62.300 -0.546 0.000 0.874 856 V CB -0.670 30.600 31.823 -0.921 0.000 1.116 856 V HN 0.574 nan 8.190 nan 0.000 0.454 857 D N 3.095 123.322 120.400 -0.287 0.000 2.949 857 D HA 0.249 4.889 4.640 -0.000 0.000 0.208 857 D C 0.672 176.852 176.300 -0.200 0.000 1.104 857 D CA 2.026 55.915 54.000 -0.185 0.000 0.801 857 D CB 0.287 41.028 40.800 -0.098 0.000 1.182 857 D HN 1.145 nan 8.370 nan 0.000 0.517 858 S N 0.651 116.278 115.700 -0.121 0.000 2.615 858 S HA 0.700 5.170 4.470 -0.000 0.000 0.268 858 S C -1.192 173.376 174.600 -0.055 0.000 1.146 858 S CA -1.000 57.146 58.200 -0.091 0.000 0.818 858 S CB 0.972 64.114 63.200 -0.096 0.000 1.111 858 S HN 0.485 nan 8.310 nan 0.000 0.465 859 I N -0.158 120.389 120.570 -0.038 0.000 3.524 859 I HA 0.630 4.800 4.170 -0.000 0.000 0.312 859 I C -1.218 174.899 176.117 -0.000 0.000 1.203 859 I CA -0.777 60.515 61.300 -0.013 0.000 0.974 859 I CB 2.221 40.223 38.000 0.003 0.000 1.352 859 I HN 0.841 nan 8.210 nan 0.000 0.475 860 T N 1.927 116.500 114.554 0.032 0.000 2.779 860 T HA 0.352 4.702 4.350 -0.000 0.000 0.280 860 T C -0.912 173.860 174.700 0.120 0.000 0.987 860 T CA -0.215 61.927 62.100 0.070 0.000 0.966 860 T CB 1.189 70.108 68.868 0.084 0.000 0.933 860 T HN 0.393 nan 8.240 nan 0.000 0.442 861 Q N 3.539 123.447 119.800 0.180 0.000 2.506 861 Q HA 0.371 4.711 4.340 -0.000 0.000 0.242 861 Q C -0.892 175.338 176.000 0.383 0.000 1.060 861 Q CA -0.764 55.193 55.803 0.256 0.000 0.826 861 Q CB 0.058 28.966 28.738 0.282 0.000 1.169 861 Q HN 0.320 nan 8.270 nan 0.000 0.521 862 K N 2.379 122.934 120.400 0.258 0.000 2.098 862 K HA 0.584 4.904 4.320 -0.000 0.000 0.258 862 K C -0.203 176.496 176.600 0.165 0.000 0.973 862 K CA -0.630 55.792 56.287 0.224 0.000 0.898 862 K CB 1.507 34.121 32.500 0.190 0.000 1.057 862 K HN 0.651 nan 8.250 nan 0.000 0.447 863 K N -0.892 119.578 120.400 0.116 0.000 1.646 863 K HA 0.416 4.736 4.320 -0.000 0.000 0.290 863 K C -0.612 176.223 176.600 0.391 0.000 0.812 863 K CA -0.233 56.149 56.287 0.158 0.000 0.389 863 K CB 0.381 32.711 32.500 -0.284 0.000 2.951 863 K HN 0.578 nan 8.250 nan 0.000 1.045 864 F N -2.083 117.834 119.950 -0.056 0.000 1.904 864 F HA 0.429 4.956 4.527 -0.000 0.000 0.240 864 F C -1.436 174.445 175.800 0.134 0.000 1.293 864 F CA -0.597 57.495 58.000 0.154 0.000 1.143 864 F CB 0.264 39.556 39.000 0.488 0.000 2.147 864 F HN 0.357 nan 8.300 nan 0.000 0.100 865 L N 1.996 123.076 121.223 -0.238 0.000 1.581 865 L HA 0.011 4.351 4.340 -0.000 0.000 0.585 865 L C -1.006 175.947 176.870 0.138 0.000 0.999 865 L CA -0.294 54.481 54.840 -0.109 0.000 1.246 865 L CB -1.015 40.977 42.059 -0.111 0.000 2.080 865 L HN 1.079 nan 8.230 nan 0.000 1.066 866 C N 5.697 124.937 119.300 -0.100 0.000 2.341 866 C HA 0.913 5.373 4.460 -0.000 0.000 0.338 866 C C -0.421 174.713 174.990 0.240 0.000 1.257 866 C CA -0.043 58.983 59.018 0.013 0.000 1.883 866 C CB 0.752 28.415 27.740 -0.129 0.000 2.334 866 C HN 0.795 nan 8.230 nan 0.000 0.524 867 D N 3.153 123.716 120.400 0.272 0.000 2.977 867 D HA 0.386 5.026 4.640 -0.000 0.000 0.220 867 D C 0.037 176.374 176.300 0.062 0.000 1.267 867 D CA -0.386 53.763 54.000 0.247 0.000 0.884 867 D CB 1.433 42.339 40.800 0.177 0.000 1.667 867 D HN 0.761 nan 8.370 nan 0.000 0.536 868 R N -0.258 120.145 120.500 -0.160 0.000 3.492 868 R HA -0.096 4.244 4.340 -0.000 0.000 0.481 868 R C -1.183 175.097 176.300 -0.034 0.000 0.932 868 R CA 0.721 56.662 56.100 -0.266 0.000 1.170 868 R CB -1.370 28.750 30.300 -0.300 0.000 1.892 868 R HN 0.490 nan 8.270 nan 0.000 0.493 869 T N 0.019 114.712 114.554 0.232 0.000 2.916 869 T HA 0.669 5.019 4.350 -0.000 0.000 0.305 869 T C -1.242 173.455 174.700 -0.006 0.000 1.119 869 T CA -0.443 61.723 62.100 0.110 0.000 1.008 869 T CB 2.044 70.949 68.868 0.061 0.000 1.129 869 T HN 0.125 nan 8.240 nan 0.000 0.480 870 L N 0.616 121.737 121.223 -0.171 0.000 2.171 870 L HA 0.742 5.082 4.340 -0.000 0.000 0.253 870 L C -1.504 175.368 176.870 0.005 0.000 1.054 870 L CA -1.099 53.410 54.840 -0.551 0.000 0.927 870 L CB 1.434 43.174 42.059 -0.531 0.000 1.513 870 L HN 0.774 nan 8.230 nan 0.000 0.471 871 W N 2.064 123.178 121.300 -0.311 0.000 2.331 871 W HA 0.550 5.210 4.660 -0.000 0.000 0.306 871 W C 0.043 176.505 176.519 -0.094 0.000 1.162 871 W CA -0.950 56.249 57.345 -0.243 0.000 1.232 871 W CB 0.863 29.935 29.460 -0.646 0.000 1.235 871 W HN 0.052 nan 8.180 nan 0.000 0.479 872 R N 3.480 124.189 120.500 0.348 0.000 2.393 872 R HA 0.439 4.779 4.340 -0.000 0.000 0.315 872 R C -1.160 175.353 176.300 0.355 0.000 0.952 872 R CA -1.037 55.220 56.100 0.262 0.000 0.842 872 R CB 1.558 31.965 30.300 0.179 0.000 1.163 872 R HN 0.579 nan 8.270 nan 0.000 0.450 873 I N 6.143 126.961 120.570 0.414 0.000 2.796 873 I HA 0.235 4.405 4.170 -0.000 0.000 0.277 873 I C -2.099 174.577 176.117 0.932 0.000 1.331 873 I CA -1.675 60.013 61.300 0.647 0.000 0.983 873 I CB 1.489 39.743 38.000 0.423 0.000 1.410 873 I HN 0.269 nan 8.210 nan 0.000 0.561 874 P HA -0.070 nan 4.420 nan 0.000 0.214 874 P C 0.702 177.915 177.300 -0.146 0.000 1.202 874 P CA 1.031 64.138 63.100 0.013 0.000 0.781 874 P CB 0.332 31.918 31.700 -0.190 0.000 0.582 875 F N -2.880 116.394 119.950 -1.126 0.000 2.953 875 F HA 0.193 4.720 4.527 -0.000 0.000 0.382 875 F C 0.884 176.267 175.800 -0.694 0.000 0.965 875 F CA 0.311 57.884 58.000 -0.712 0.000 1.081 875 F CB -0.809 37.856 39.000 -0.560 0.000 1.132 875 F HN -0.055 nan 8.300 nan 0.000 0.567 876 S N 0.552 115.599 115.700 -1.089 0.000 4.011 876 S HA -0.153 4.317 4.470 -0.000 0.000 0.296 876 S C 1.068 175.693 174.600 0.042 0.000 1.686 876 S CA 0.702 58.618 58.200 -0.474 0.000 1.393 876 S CB -0.923 62.105 63.200 -0.287 0.000 0.552 876 S HN 0.366 nan 8.310 nan 0.000 0.335 877 S N 0.210 115.979 115.700 0.115 0.000 3.073 877 S HA 0.300 4.770 4.470 -0.000 0.000 0.252 877 S C 0.197 174.849 174.600 0.087 0.000 0.953 877 S CA -0.065 58.211 58.200 0.126 0.000 1.105 877 S CB -1.230 62.026 63.200 0.093 0.000 1.070 877 S HN 0.807 nan 8.310 nan 0.000 0.574 878 N N 0.021 118.828 118.700 0.178 0.000 1.890 878 N HA 0.008 4.748 4.740 -0.000 0.000 0.221 878 N C -0.865 174.782 175.510 0.228 0.000 1.445 878 N CA -0.258 52.877 53.050 0.141 0.000 0.703 878 N CB -0.221 38.310 38.487 0.074 0.000 1.071 878 N HN 0.252 nan 8.380 nan 0.000 0.582 879 F N 2.322 122.288 119.950 0.027 0.000 2.070 879 F HA -0.234 4.293 4.527 -0.000 0.000 0.116 879 F C 0.558 176.395 175.800 0.061 0.000 1.032 879 F CA 1.165 59.203 58.000 0.063 0.000 0.668 879 F CB -0.355 38.696 39.000 0.086 0.000 0.575 879 F HN 0.235 nan 8.300 nan 0.000 0.766 880 M N 0.137 119.825 119.600 0.148 0.000 2.924 880 M HA 0.166 4.646 4.480 -0.000 0.000 0.271 880 M C -0.094 176.255 176.300 0.083 0.000 1.280 880 M CA -0.861 54.513 55.300 0.124 0.000 0.813 880 M CB 2.409 35.076 32.600 0.112 0.000 1.658 880 M HN -0.110 nan 8.290 nan 0.000 0.467 881 S N 2.145 117.903 115.700 0.097 0.000 2.465 881 S HA 0.425 4.895 4.470 -0.000 0.000 0.307 881 S C -0.701 173.934 174.600 0.059 0.000 1.187 881 S CA 0.065 58.316 58.200 0.085 0.000 1.141 881 S CB -0.645 62.629 63.200 0.123 0.000 1.108 881 S HN 0.394 nan 8.310 nan 0.000 0.525 882 M N 1.976 121.595 119.600 0.031 0.000 2.593 882 M HA 0.596 5.076 4.480 -0.000 0.000 0.290 882 M C 0.422 176.729 176.300 0.011 0.000 1.244 882 M CA -1.070 54.242 55.300 0.021 0.000 0.857 882 M CB 0.720 33.325 32.600 0.008 0.000 1.738 882 M HN 0.389 nan 8.290 nan 0.000 0.461 883 G N 1.102 109.908 108.800 0.009 0.000 2.573 883 G HA2 0.132 4.092 3.960 -0.000 0.000 0.274 883 G HA3 0.132 4.092 3.960 -0.000 0.000 0.274 883 G C 1.059 175.960 174.900 0.000 0.000 0.575 883 G CA 0.435 45.536 45.100 0.001 0.000 1.076 883 G HN 1.201 nan 8.290 nan 0.000 0.264 884 A N 3.481 126.296 122.820 -0.007 0.000 1.933 884 A HA -0.260 4.060 4.320 -0.000 0.000 0.252 884 A C 1.645 179.274 177.584 0.075 0.000 2.192 884 A CA 1.662 53.702 52.037 0.005 0.000 0.766 884 A CB -0.499 18.466 19.000 -0.058 0.000 0.834 884 A HN 0.857 nan 8.150 nan 0.000 0.553 885 L N 1.806 123.045 121.223 0.027 0.000 2.361 885 L HA 0.171 4.511 4.340 -0.000 0.000 0.278 885 L C 0.874 177.788 176.870 0.073 0.000 1.113 885 L CA 1.204 56.096 54.840 0.087 0.000 0.849 885 L CB 0.237 42.308 42.059 0.020 0.000 1.155 885 L HN 0.538 nan 8.230 nan 0.000 0.452 886 T N 0.207 114.835 114.554 0.123 0.000 2.933 886 T HA 0.044 4.394 4.350 -0.000 0.000 0.263 886 T C 1.280 175.890 174.700 -0.149 0.000 0.925 886 T CA -0.073 61.988 62.100 -0.064 0.000 1.156 886 T CB -0.485 68.357 68.868 -0.044 0.000 0.916 886 T HN 0.708 nan 8.240 nan 0.000 0.601 887 D N 3.561 123.885 120.400 -0.127 0.000 3.866 887 D HA -0.356 4.284 4.640 -0.000 0.000 0.210 887 D C 1.672 177.872 176.300 -0.167 0.000 1.279 887 D CA 1.585 55.519 54.000 -0.109 0.000 0.868 887 D CB -0.575 40.180 40.800 -0.075 0.000 0.938 887 D HN 0.473 nan 8.370 nan 0.000 0.571 888 L N 0.217 121.215 121.223 -0.375 0.000 2.263 888 L HA -0.089 4.251 4.340 -0.000 0.000 0.216 888 L C 2.600 179.351 176.870 -0.197 0.000 1.111 888 L CA 1.853 56.449 54.840 -0.407 0.000 0.773 888 L CB -1.238 40.354 42.059 -0.777 0.000 0.906 888 L HN 0.500 nan 8.230 nan 0.000 0.439 889 G N -0.405 108.336 108.800 -0.097 0.000 2.501 889 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.220 889 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.220 889 G C 1.383 176.397 174.900 0.190 0.000 1.114 889 G CA 0.723 46.036 45.100 0.355 0.000 0.757 889 G HN 0.667 nan 8.290 nan 0.000 0.559 890 Q N -0.823 119.026 119.800 0.082 0.000 2.353 890 Q HA 0.114 4.454 4.340 -0.000 0.000 0.240 890 Q C 0.980 177.019 176.000 0.065 0.000 0.868 890 Q CA -0.259 55.583 55.803 0.065 0.000 0.944 890 Q CB -0.332 28.427 28.738 0.033 0.000 1.104 890 Q HN 0.386 nan 8.270 nan 0.000 0.531 891 N N 2.527 121.260 118.700 0.055 0.000 3.059 891 N HA 0.048 4.788 4.740 -0.000 0.000 0.321 891 N C 0.217 175.805 175.510 0.130 0.000 1.224 891 N CA -0.138 52.960 53.050 0.080 0.000 1.197 891 N CB 0.123 38.641 38.487 0.052 0.000 1.453 891 N HN 0.346 nan 8.380 nan 0.000 0.544 892 L N 1.726 123.016 121.223 0.112 0.000 3.084 892 L HA -0.122 4.218 4.340 -0.000 0.000 0.266 892 L C 1.341 178.275 176.870 0.106 0.000 1.149 892 L CA 0.523 55.432 54.840 0.114 0.000 0.931 892 L CB -0.698 41.411 42.059 0.082 0.000 1.211 892 L HN 0.463 nan 8.230 nan 0.000 0.428 893 L N -3.061 118.245 121.223 0.140 0.000 2.906 893 L HA 0.193 4.533 4.340 -0.000 0.000 0.255 893 L C 0.640 177.537 176.870 0.044 0.000 1.166 893 L CA 0.803 55.706 54.840 0.106 0.000 0.977 893 L CB 0.199 42.356 42.059 0.163 0.000 1.313 893 L HN 0.017 nan 8.230 nan 0.000 0.549 894 Y N -0.736 119.584 120.300 0.034 0.000 2.551 894 Y HA 0.558 5.108 4.550 -0.000 0.000 0.297 894 Y C 0.556 176.505 175.900 0.082 0.000 0.968 894 Y CA -0.147 57.930 58.100 -0.038 0.000 1.039 894 Y CB 0.451 38.787 38.460 -0.207 0.000 1.418 894 Y HN 0.065 nan 8.280 nan 0.000 0.589 895 A N 1.199 124.181 122.820 0.269 0.000 2.646 895 A HA 0.626 4.946 4.320 -0.000 0.000 0.312 895 A C -0.090 177.643 177.584 0.249 0.000 1.245 895 A CA 0.081 52.317 52.037 0.331 0.000 0.755 895 A CB -0.104 19.128 19.000 0.387 0.000 1.132 895 A HN 0.434 nan 8.150 nan 0.000 0.458 896 N N 0.469 119.298 118.700 0.216 0.000 3.045 896 N HA 0.022 4.762 4.740 -0.000 0.000 0.174 896 N C -0.877 174.670 175.510 0.062 0.000 1.214 896 N CA 0.350 53.469 53.050 0.115 0.000 2.333 896 N CB 0.132 38.670 38.487 0.085 0.000 1.173 896 N HN 0.434 nan 8.380 nan 0.000 0.737 897 S N -0.328 115.426 115.700 0.089 0.000 2.672 897 S HA 0.802 5.272 4.470 -0.000 0.000 0.271 897 S C -1.822 172.757 174.600 -0.034 0.000 1.171 897 S CA -0.242 57.927 58.200 -0.051 0.000 0.817 897 S CB 1.817 64.939 63.200 -0.131 0.000 1.150 897 S HN 0.325 nan 8.310 nan 0.000 0.478 898 A N 2.035 124.721 122.820 -0.224 0.000 2.340 898 A HA 0.694 5.014 4.320 -0.000 0.000 0.297 898 A C -1.203 176.388 177.584 0.012 0.000 1.195 898 A CA -0.562 51.400 52.037 -0.125 0.000 0.769 898 A CB 0.356 19.055 19.000 -0.500 0.000 1.163 898 A HN 0.788 nan 8.150 nan 0.000 0.472 899 H N 2.371 121.817 119.070 0.628 0.000 2.539 899 H HA 0.569 5.125 4.556 -0.000 0.000 0.332 899 H C 0.671 176.350 175.328 0.584 0.000 1.031 899 H CA -0.351 55.961 56.048 0.441 0.000 1.206 899 H CB 1.688 31.607 29.762 0.262 0.000 1.446 899 H HN 0.885 nan 8.280 nan 0.000 0.496 900 A N 3.209 126.354 122.820 0.542 0.000 2.672 900 A HA 0.052 4.372 4.320 -0.000 0.000 0.232 900 A C 0.185 178.068 177.584 0.498 0.000 1.121 900 A CA 0.338 52.662 52.037 0.479 0.000 0.829 900 A CB -0.093 19.078 19.000 0.285 0.000 1.027 900 A HN 0.658 nan 8.150 nan 0.000 0.515 901 L N 0.426 121.882 121.223 0.388 0.000 2.541 901 L HA 0.714 5.054 4.340 -0.000 0.000 0.266 901 L C -1.821 175.083 176.870 0.056 0.000 0.966 901 L CA -0.583 54.435 54.840 0.297 0.000 0.871 901 L CB 2.184 44.520 42.059 0.462 0.000 1.232 901 L HN 0.624 nan 8.230 nan 0.000 0.408 902 D N 4.476 124.797 120.400 -0.133 0.000 2.342 902 D HA 0.804 5.444 4.640 -0.000 0.000 0.243 902 D C -0.535 175.615 176.300 -0.250 0.000 1.019 902 D CA -0.288 53.630 54.000 -0.138 0.000 0.864 902 D CB 2.010 42.755 40.800 -0.092 0.000 1.315 902 D HN 0.580 nan 8.370 nan 0.000 0.468 903 M N 0.180 119.624 119.600 -0.260 0.000 2.631 903 M HA 0.600 5.080 4.480 -0.000 0.000 0.288 903 M C -0.871 175.084 176.300 -0.575 0.000 1.260 903 M CA -0.297 54.724 55.300 -0.466 0.000 0.842 903 M CB 2.941 35.185 32.600 -0.594 0.000 1.743 903 M HN 0.321 nan 8.290 nan 0.000 0.461 904 T N 0.454 114.556 114.554 -0.754 0.000 2.901 904 T HA 0.785 5.135 4.350 -0.000 0.000 0.293 904 T C -1.624 172.600 174.700 -0.794 0.000 1.084 904 T CA -0.558 61.210 62.100 -0.554 0.000 1.008 904 T CB 1.241 69.968 68.868 -0.236 0.000 1.170 904 T HN 0.422 nan 8.240 nan 0.000 0.509 905 F N 0.691 120.653 119.950 0.019 0.000 2.591 905 F HA 0.579 5.106 4.527 -0.000 0.000 0.309 905 F C -0.194 175.644 175.800 0.062 0.000 1.098 905 F CA -1.016 57.010 58.000 0.044 0.000 0.937 905 F CB 2.350 41.377 39.000 0.044 0.000 1.250 905 F HN 0.443 nan 8.300 nan 0.000 0.447 906 E N 2.481 122.883 120.200 0.336 0.000 2.234 906 E HA 0.809 5.159 4.350 -0.000 0.000 0.266 906 E C -1.763 174.965 176.600 0.214 0.000 0.877 906 E CA -0.448 56.080 56.400 0.213 0.000 0.758 906 E CB 1.974 31.769 29.700 0.158 0.000 1.170 906 E HN 0.402 nan 8.360 nan 0.000 0.415 907 V N 2.118 122.117 119.914 0.142 0.000 3.076 907 V HA 0.357 4.477 4.120 -0.000 0.000 0.311 907 V C -0.986 175.110 176.094 0.003 0.000 1.461 907 V CA -1.130 61.217 62.300 0.079 0.000 1.029 907 V CB 1.793 33.658 31.823 0.070 0.000 1.061 907 V HN 0.738 nan 8.190 nan 0.000 0.474 908 D N 1.934 122.284 120.400 -0.084 0.000 2.339 908 D HA 0.417 5.057 4.640 -0.000 0.000 0.241 908 D C -2.604 173.653 176.300 -0.071 0.000 1.183 908 D CA -1.497 52.446 54.000 -0.094 0.000 0.859 908 D CB 1.243 41.928 40.800 -0.192 0.000 1.067 908 D HN 0.219 nan 8.370 nan 0.000 0.484 909 P HA -0.033 nan 4.420 nan 0.000 0.257 909 P C 0.135 177.410 177.300 -0.042 0.000 1.359 909 P CA 0.274 63.362 63.100 -0.019 0.000 1.239 909 P CB 0.103 31.808 31.700 0.008 0.000 1.549 910 M N 1.977 121.535 119.600 -0.070 0.000 1.654 910 M HA 0.004 4.484 4.480 -0.000 0.000 0.107 910 M C 1.181 177.438 176.300 -0.071 0.000 1.086 910 M CA 1.069 56.307 55.300 -0.102 0.000 0.505 910 M CB -0.078 32.459 32.600 -0.105 0.000 0.792 910 M HN 0.273 nan 8.290 nan 0.000 0.272 911 D N -0.312 120.039 120.400 -0.081 0.000 2.469 911 D HA 0.118 4.758 4.640 -0.000 0.000 0.213 911 D C -0.070 176.206 176.300 -0.040 0.000 1.135 911 D CA 0.204 54.175 54.000 -0.048 0.000 0.834 911 D CB 0.769 41.536 40.800 -0.055 0.000 1.009 911 D HN 0.592 nan 8.370 nan 0.000 0.507 912 E N 0.708 120.878 120.200 -0.049 0.000 2.392 912 E HA 0.281 4.631 4.350 -0.000 0.000 0.279 912 E C -3.177 173.402 176.600 -0.035 0.000 0.964 912 E CA -2.003 54.373 56.400 -0.039 0.000 0.777 912 E CB 2.314 31.986 29.700 -0.047 0.000 1.249 912 E HN -0.293 nan 8.360 nan 0.000 0.449 913 P HA 0.073 nan 4.420 nan 0.000 0.231 913 P C 0.265 177.556 177.300 -0.016 0.000 1.811 913 P CA -0.007 63.082 63.100 -0.018 0.000 1.051 913 P CB -0.258 31.433 31.700 -0.015 0.000 1.951 914 T N 1.295 115.840 114.554 -0.015 0.000 2.689 914 T HA 0.062 4.412 4.350 -0.000 0.000 0.400 914 T C 0.772 175.471 174.700 -0.001 0.000 1.064 914 T CA -0.206 61.893 62.100 -0.002 0.000 1.095 914 T CB 0.315 69.185 68.868 0.004 0.000 1.149 914 T HN 0.124 nan 8.240 nan 0.000 0.522 915 L N -0.908 120.320 121.223 0.008 0.000 2.171 915 L HA 0.710 5.050 4.340 -0.000 0.000 0.253 915 L C -0.213 176.646 176.870 -0.019 0.000 1.054 915 L CA -0.754 54.072 54.840 -0.024 0.000 0.927 915 L CB 1.801 43.834 42.059 -0.043 0.000 1.513 915 L HN 0.610 nan 8.230 nan 0.000 0.471 916 L N -1.050 120.119 121.223 -0.090 0.000 3.371 916 L HA 0.572 4.912 4.340 -0.000 0.000 0.223 916 L C -1.828 174.958 176.870 -0.139 0.000 1.897 916 L CA -0.312 54.459 54.840 -0.114 0.000 1.903 916 L CB 1.113 42.993 42.059 -0.299 0.000 1.877 916 L HN 0.427 nan 8.230 nan 0.000 0.559 917 Y N -0.353 119.679 120.300 -0.446 0.000 2.469 917 Y HA 0.498 5.048 4.550 -0.000 0.000 0.335 917 Y C -1.510 174.139 175.900 -0.418 0.000 1.313 917 Y CA -1.015 56.887 58.100 -0.330 0.000 1.324 917 Y CB 1.067 39.475 38.460 -0.087 0.000 1.321 917 Y HN 0.267 nan 8.280 nan 0.000 0.477 918 V N 4.920 124.998 119.914 0.272 0.000 2.637 918 V HA 0.758 4.878 4.120 -0.000 0.000 0.274 918 V C -1.285 174.975 176.094 0.277 0.000 1.004 918 V CA -0.672 61.725 62.300 0.163 0.000 0.894 918 V CB 0.824 32.764 31.823 0.195 0.000 1.046 918 V HN 0.762 nan 8.190 nan 0.000 0.467 919 L N 0.462 121.710 121.223 0.042 0.000 2.257 919 L HA 0.852 5.192 4.340 -0.000 0.000 0.257 919 L C -0.394 176.352 176.870 -0.208 0.000 1.033 919 L CA -0.742 54.164 54.840 0.110 0.000 0.835 919 L CB 2.081 44.118 42.059 -0.037 0.000 1.398 919 L HN 0.348 nan 8.230 nan 0.000 0.429 920 F N -1.037 118.835 119.950 -0.131 0.000 2.899 920 F HA 0.198 4.725 4.527 -0.000 0.000 0.337 920 F C 0.996 176.749 175.800 -0.078 0.000 1.129 920 F CA -0.062 57.831 58.000 -0.178 0.000 1.128 920 F CB 0.201 38.959 39.000 -0.402 0.000 1.154 920 F HN 0.827 nan 8.300 nan 0.000 0.531 921 E N 0.697 120.900 120.200 0.006 0.000 2.971 921 E HA -0.298 4.052 4.350 -0.000 0.000 0.271 921 E C 0.990 177.508 176.600 -0.136 0.000 1.053 921 E CA 0.745 57.101 56.400 -0.074 0.000 0.817 921 E CB -1.254 28.371 29.700 -0.125 0.000 1.410 921 E HN 0.384 nan 8.360 nan 0.000 0.445 922 V N -2.260 117.678 119.914 0.041 0.000 2.338 922 V HA -0.285 3.835 4.120 -0.000 0.000 0.218 922 V C 1.225 177.187 176.094 -0.221 0.000 0.919 922 V CA 2.079 64.438 62.300 0.098 0.000 1.030 922 V CB -0.625 31.374 31.823 0.293 0.000 0.699 922 V HN 0.567 nan 8.190 nan 0.000 0.531 923 F N -0.161 119.878 119.950 0.150 0.000 3.092 923 F HA 0.310 4.837 4.527 -0.000 0.000 0.431 923 F C -0.150 175.690 175.800 0.067 0.000 1.096 923 F CA -0.727 57.323 58.000 0.083 0.000 1.220 923 F CB 0.307 39.361 39.000 0.089 0.000 2.714 923 F HN 0.386 nan 8.300 nan 0.000 0.590 924 D N 2.122 122.646 120.400 0.207 0.000 2.341 924 D HA 0.409 5.049 4.640 -0.000 0.000 0.245 924 D C -0.193 176.232 176.300 0.209 0.000 1.106 924 D CA 0.518 54.612 54.000 0.157 0.000 0.905 924 D CB 2.346 43.164 40.800 0.030 0.000 1.202 924 D HN 0.260 nan 8.370 nan 0.000 0.426 925 V N 0.515 120.563 119.914 0.223 0.000 3.145 925 V HA 0.859 4.979 4.120 -0.000 0.000 0.311 925 V C -0.836 175.446 176.094 0.314 0.000 1.238 925 V CA -0.431 62.015 62.300 0.242 0.000 1.066 925 V CB 2.115 34.048 31.823 0.184 0.000 1.144 925 V HN 0.344 nan 8.190 nan 0.000 0.465 926 V N 0.528 120.617 119.914 0.292 0.000 3.225 926 V HA 0.863 4.983 4.120 -0.000 0.000 0.293 926 V C -0.723 175.489 176.094 0.196 0.000 1.405 926 V CA -0.276 62.200 62.300 0.292 0.000 1.038 926 V CB 2.440 34.358 31.823 0.159 0.000 1.123 926 V HN 1.363 nan 8.190 nan 0.000 0.447 927 R N 1.231 121.790 120.500 0.098 0.000 3.321 927 R HA 0.678 5.018 4.340 -0.000 0.000 0.271 927 R C -2.500 173.788 176.300 -0.020 0.000 0.994 927 R CA -0.347 55.792 56.100 0.066 0.000 0.920 927 R CB 1.827 32.152 30.300 0.041 0.000 1.271 927 R HN 0.655 nan 8.270 nan 0.000 0.531 928 V N 0.907 120.834 119.914 0.021 0.000 3.120 928 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 928 V C -0.616 175.543 176.094 0.110 0.000 1.238 928 V CA -0.993 61.317 62.300 0.016 0.000 1.008 928 V CB 1.920 33.747 31.823 0.006 0.000 1.064 928 V HN 0.846 nan 8.190 nan 0.000 0.434 929 H N 1.355 120.416 119.070 -0.015 0.000 2.850 929 H HA 0.845 5.401 4.556 -0.000 0.000 0.297 929 H C -0.207 175.128 175.328 0.012 0.000 1.508 929 H CA -1.030 55.018 56.048 0.000 0.000 1.513 929 H CB 1.700 31.459 29.762 -0.006 0.000 1.803 929 H HN 0.626 nan 8.280 nan 0.000 0.830 930 R N 1.229 121.695 120.500 -0.058 0.000 2.812 930 R HA 0.062 4.402 4.340 -0.000 0.000 0.179 930 R C -2.845 173.379 176.300 -0.127 0.000 1.407 930 R CA -0.693 55.379 56.100 -0.047 0.000 1.031 930 R CB 0.312 30.621 30.300 0.015 0.000 1.491 930 R HN 0.310 nan 8.270 nan 0.000 0.619 931 P HA -0.095 nan 4.420 nan 0.000 0.196 931 P C 0.282 177.592 177.300 0.016 0.000 1.130 931 P CA 0.662 63.670 63.100 -0.152 0.000 0.860 931 P CB -0.130 31.451 31.700 -0.197 0.000 0.705 932 H N -0.589 118.452 119.070 -0.048 0.000 2.598 932 H HA -0.047 4.509 4.556 -0.000 0.000 0.396 932 H C 1.036 176.361 175.328 -0.005 0.000 1.954 932 H CA -0.332 55.703 56.048 -0.022 0.000 1.449 932 H CB 0.223 29.976 29.762 -0.015 0.000 1.554 932 H HN -0.010 nan 8.280 nan 0.000 0.554 933 R N 1.024 121.547 120.500 0.039 0.000 3.147 933 R HA -0.027 4.313 4.340 -0.000 0.000 0.230 933 R C -0.344 175.990 176.300 0.056 0.000 1.549 933 R CA 0.598 56.697 56.100 -0.000 0.000 1.025 933 R CB -1.266 28.983 30.300 -0.086 0.000 1.180 933 R HN 0.826 nan 8.270 nan 0.000 0.575 934 G N 1.500 110.363 108.800 0.106 0.000 3.129 934 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.304 934 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.304 934 G C -0.717 174.316 174.900 0.222 0.000 0.679 934 G CA -0.170 45.037 45.100 0.178 0.000 0.812 934 G HN 0.459 nan 8.290 nan 0.000 0.409 935 V N 4.339 124.358 119.914 0.175 0.000 2.569 935 V HA 0.457 4.577 4.120 -0.000 0.000 0.301 935 V C 0.864 177.025 176.094 0.112 0.000 1.044 935 V CA -0.757 61.642 62.300 0.166 0.000 0.874 935 V CB 1.847 33.736 31.823 0.110 0.000 1.002 935 V HN 1.037 nan 8.190 nan 0.000 0.424 936 I N 0.733 121.365 120.570 0.104 0.000 2.593 936 I HA 0.321 4.491 4.170 -0.000 0.000 0.304 936 I C 0.150 176.274 176.117 0.011 0.000 1.176 936 I CA 0.552 61.855 61.300 0.005 0.000 1.533 936 I CB -0.445 37.535 38.000 -0.034 0.000 1.492 936 I HN 0.670 nan 8.210 nan 0.000 0.704 937 E N 5.099 125.316 120.200 0.027 0.000 2.121 937 E HA 0.247 4.597 4.350 -0.000 0.000 0.255 937 E C 0.069 176.651 176.600 -0.030 0.000 0.906 937 E CA -0.438 55.980 56.400 0.031 0.000 0.745 937 E CB 1.222 31.002 29.700 0.135 0.000 1.155 937 E HN 0.754 nan 8.360 nan 0.000 0.424 938 T N -0.506 113.988 114.554 -0.100 0.000 2.944 938 T HA 0.766 5.116 4.350 -0.000 0.000 0.284 938 T C -0.092 174.466 174.700 -0.236 0.000 1.010 938 T CA -0.583 61.391 62.100 -0.210 0.000 1.025 938 T CB 1.339 70.016 68.868 -0.318 0.000 1.079 938 T HN 0.089 nan 8.240 nan 0.000 0.516 939 V N 2.133 121.839 119.914 -0.347 0.000 3.225 939 V HA 0.742 4.862 4.120 -0.000 0.000 0.293 939 V C -1.427 174.542 176.094 -0.208 0.000 1.405 939 V CA -1.105 61.065 62.300 -0.217 0.000 1.038 939 V CB 1.322 33.092 31.823 -0.089 0.000 1.123 939 V HN 1.461 nan 8.190 nan 0.000 0.447 940 Y N 0.990 121.318 120.300 0.046 0.000 3.132 940 Y HA 0.669 5.219 4.550 -0.000 0.000 0.427 940 Y C -1.572 174.376 175.900 0.081 0.000 1.173 940 Y CA -2.057 56.086 58.100 0.072 0.000 1.196 940 Y CB -0.206 38.313 38.460 0.097 0.000 2.175 940 Y HN 1.577 nan 8.280 nan 0.000 0.436 941 L N 1.619 123.000 121.223 0.263 0.000 5.677 941 L HA 0.205 4.545 4.340 -0.000 0.000 0.235 941 L C 0.180 177.120 176.870 0.116 0.000 1.238 941 L CA 0.230 55.148 54.840 0.129 0.000 0.755 941 L CB -0.111 42.038 42.059 0.149 0.000 1.447 941 L HN 1.196 nan 8.230 nan 0.000 0.237 942 R N 2.362 122.924 120.500 0.102 0.000 3.495 942 R HA 0.386 4.726 4.340 -0.000 0.000 0.243 942 R C -0.702 175.688 176.300 0.151 0.000 0.964 942 R CA 0.978 57.170 56.100 0.153 0.000 1.135 942 R CB 0.142 30.538 30.300 0.160 0.000 0.939 942 R HN 0.660 nan 8.270 nan 0.000 0.467 943 T N -0.388 114.288 114.554 0.203 0.000 2.913 943 T HA 0.255 4.605 4.350 -0.000 0.000 0.341 943 T C -2.724 171.997 174.700 0.035 0.000 1.855 943 T CA -0.770 61.370 62.100 0.066 0.000 1.049 943 T CB 1.561 70.439 68.868 0.016 0.000 1.769 943 T HN 0.504 nan 8.240 nan 0.000 0.511 944 P HA 0.440 nan 4.420 nan 0.000 0.339 944 P C -0.063 176.750 177.300 -0.811 0.000 1.413 944 P CA -0.001 62.630 63.100 -0.782 0.000 0.833 944 P CB -0.106 31.003 31.700 -0.985 0.000 2.004 945 F N -3.928 115.972 119.950 -0.084 0.000 3.074 945 F HA -0.235 4.292 4.527 -0.000 0.000 0.287 945 F C 0.789 176.559 175.800 -0.050 0.000 0.932 945 F CA -0.157 57.783 58.000 -0.101 0.000 0.995 945 F CB -3.072 35.851 39.000 -0.128 0.000 0.966 945 F HN -0.045 nan 8.300 nan 0.000 0.721 946 S N -0.223 115.470 115.700 -0.012 0.000 2.463 946 S HA 0.716 5.186 4.470 -0.000 0.000 0.241 946 S C 1.193 175.810 174.600 0.029 0.000 1.299 946 S CA -0.239 57.968 58.200 0.013 0.000 0.979 946 S CB 0.577 63.764 63.200 -0.022 0.000 0.950 946 S HN 0.636 nan 8.310 nan 0.000 0.516 947 A N -0.095 122.741 122.820 0.026 0.000 2.085 947 A HA 0.796 5.116 4.320 -0.000 0.000 0.202 947 A C 0.627 178.219 177.584 0.014 0.000 2.124 947 A CA 0.304 52.358 52.037 0.028 0.000 1.584 947 A CB -0.415 18.614 19.000 0.048 0.000 1.136 947 A HN 1.079 nan 8.150 nan 0.000 0.493 948 G N 0.000 108.811 108.800 0.019 0.000 5.446 948 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 948 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 948 G CA 0.000 45.105 45.100 0.008 0.000 0.502 948 G HN 0.000 nan 8.290 nan 0.000 0.925