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 2obe_1_A DATA FIRST_RESID 5 DATA SEQUENCE MLPQWAYMHI AGQDASEYLS PGLVQFARAT DTYFSLGNKF RNPTVAPTHD DATA SEQUENCE VTTDRSQRLT LRFVPVDRED NTYSYKVRYT LAVGDNRVLD MASTYFDIRG DATA SEQUENCE VLDRGPSFKP YSGTAYNSLA PKGAPNTCQW TYKAXXXXAT EKTYTYGNAP DATA SEQUENCE VQGINITKDG IQLGTDTDDQ PIYADKTYQP EPQVGDAEWH XXXGTDEKYG DATA SEQUENCE GRALKPDTKM KPCYGSFAKP TNKEGGQANV KTGTGTTKEY DIDMAFFDNR DATA SEQUENCE SAAAAGLAPE IVLYTENVDL ETPDTHIVYK AGTDDSSSSI NLGQQAMPNR DATA SEQUENCE PNYIGFRDNF IGLMYYNSTG NMGVLAGQAS QLNAVVDLQD RNTELSYQLL DATA SEQUENCE LDSLGDRTRY FSMWNQAVDS YDPDVRIIEN HGVEDELPNY CFPLDAVGRT DATA SEQUENCE DTYQGIKANX XXQTTWTKDD SVNDANEIGK GNPFAMEINI QANLWRNFLY DATA SEQUENCE ANVALYLPDS YKYTPANVTL PTNTNTYDYM NGRVVAPSLV DSYINIGARW DATA SEQUENCE SLDPMDNVNP FNHHRNAGLR YRSMLLGNGR YVPFHIQVPQ KFFAIKSLLL DATA SEQUENCE LPGSYTYEWN FRKDVNMILQ SSLGNDLRTD GASISFTSIN LYATFFPMAH DATA SEQUENCE NTASTLEAML RNDTNDQSFN DYLSAANMLY PIPANATNVP ISIPSRNWAA DATA SEQUENCE FRGWSFTRLK TKETPSLGSG FDPYFVYSGS IPYLDGTFYL NHTFKKVSIT DATA SEQUENCE FDSSVSWPGN DRLLTPNEFE IKRTVDGEGY NVAQCNMTKD WFLVQMLAHY DATA SEQUENCE NIGYQGFYVP EGYKDRMYSF FRNFQPMSRQ VVDEVNYKDY QAVTLAYQHN DATA SEQUENCE NSGFVGYLAP TMRQGQPYPA NYPYPLIGKS AVTSVTQKKF LCDRVMWRIP DATA SEQUENCE FSSNFMSMGA LTDLGQNMLY ANSAHALDMN FEVDPMDEST LLYVVFEVFD DATA SEQUENCE VVRVHQPHRG VIEAVYLRTP FSAGN 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 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 175.904 176.300 -0.660 0.000 1.140 5 M CA 0.000 55.044 55.300 -0.428 0.000 0.988 5 M CB 0.000 32.297 32.600 -0.505 0.000 1.302 6 L N 1.542 122.417 121.223 -0.579 0.000 2.046 6 L HA 0.006 4.346 4.340 0.000 0.000 0.208 6 L C -0.615 176.180 176.870 -0.126 0.000 1.077 6 L CA 3.187 57.782 54.840 -0.409 0.000 0.747 6 L CB -0.748 41.150 42.059 -0.269 0.000 0.896 6 L HN 0.433 nan 8.230 nan 0.000 0.432 7 P HA -0.198 nan 4.420 nan 0.000 0.215 7 P C 1.442 178.758 177.300 0.027 0.000 1.153 7 P CA 1.360 64.442 63.100 -0.030 0.000 0.853 7 P CB -0.044 31.618 31.700 -0.063 0.000 0.788 8 Q N -1.692 118.113 119.800 0.010 0.000 2.077 8 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 8 Q C 2.079 178.238 176.000 0.265 0.000 0.989 8 Q CA 1.530 57.404 55.803 0.118 0.000 0.853 8 Q CB -0.535 28.265 28.738 0.104 0.000 0.907 8 Q HN 0.311 nan 8.270 nan 0.000 0.418 9 W N -0.023 121.290 121.300 0.021 0.000 2.358 9 W HA -0.093 4.567 4.660 0.000 0.000 0.303 9 W C 2.405 178.924 176.519 -0.001 0.000 1.208 9 W CA 0.893 58.246 57.345 0.013 0.000 1.274 9 W CB -1.123 28.349 29.460 0.020 0.000 1.138 9 W HN 0.211 nan 8.180 nan 0.000 0.515 10 A N -0.711 122.250 122.820 0.235 0.000 1.877 10 A HA -0.260 4.061 4.320 0.000 0.000 0.216 10 A C 1.917 179.481 177.584 -0.034 0.000 1.186 10 A CA 1.753 53.864 52.037 0.124 0.000 0.620 10 A CB -1.541 17.527 19.000 0.113 0.000 0.822 10 A HN 0.320 nan 8.150 nan 0.000 0.443 11 Y N -0.242 119.971 120.300 -0.144 0.000 2.274 11 Y HA -0.120 4.430 4.550 0.000 0.000 0.290 11 Y C 1.882 177.494 175.900 -0.481 0.000 1.145 11 Y CA 1.778 59.710 58.100 -0.280 0.000 1.203 11 Y CB 0.016 38.393 38.460 -0.139 0.000 0.984 11 Y HN 0.218 nan 8.280 nan 0.000 0.533 12 M N -0.394 119.045 119.600 -0.268 0.000 2.431 12 M HA 0.071 4.552 4.480 0.000 0.000 0.237 12 M C -0.204 175.952 176.300 -0.239 0.000 1.130 12 M CA 0.456 55.586 55.300 -0.284 0.000 1.002 12 M CB -1.022 31.559 32.600 -0.031 0.000 1.524 12 M HN 0.315 nan 8.290 nan 0.000 0.482 13 H N -0.990 118.038 119.070 -0.069 0.000 2.791 13 H HA -0.156 4.401 4.556 0.000 0.000 0.302 13 H C 1.223 176.551 175.328 -0.000 0.000 1.198 13 H CA 0.725 56.750 56.048 -0.039 0.000 1.145 13 H CB -2.363 27.367 29.762 -0.053 0.000 1.385 13 H HN 0.421 nan 8.280 nan 0.000 0.409 14 I N -0.931 119.670 120.570 0.051 0.000 2.584 14 I HA 0.109 4.279 4.170 0.000 0.000 0.255 14 I C 1.530 177.628 176.117 -0.032 0.000 1.145 14 I CA 1.175 62.437 61.300 -0.064 0.000 1.462 14 I CB 0.292 38.141 38.000 -0.252 0.000 1.102 14 I HN 0.441 nan 8.210 nan 0.000 0.433 15 A N -0.645 122.240 122.820 0.110 0.000 2.552 15 A HA 0.783 5.104 4.320 0.000 0.000 0.288 15 A C 0.040 177.739 177.584 0.192 0.000 1.193 15 A CA 0.000 52.134 52.037 0.161 0.000 0.713 15 A CB 0.764 19.939 19.000 0.291 0.000 1.305 15 A HN 0.349 nan 8.150 nan 0.000 0.424 16 G N -0.737 108.169 108.800 0.178 0.000 2.482 16 G HA2 0.006 3.966 3.960 0.000 0.000 0.214 16 G HA3 0.006 3.966 3.960 0.000 0.000 0.214 16 G C -0.350 174.663 174.900 0.187 0.000 1.271 16 G CA -0.003 45.205 45.100 0.179 0.000 0.944 16 G HN 1.022 nan 8.290 nan 0.000 0.568 17 Q N 0.585 120.524 119.800 0.233 0.000 2.368 17 Q HA 0.429 4.769 4.340 0.000 0.000 0.237 17 Q C -0.326 175.828 176.000 0.255 0.000 0.987 17 Q CA -0.364 55.572 55.803 0.222 0.000 0.896 17 Q CB 0.571 29.453 28.738 0.241 0.000 1.241 17 Q HN 0.530 nan 8.270 nan 0.000 0.485 18 D N -0.097 120.349 120.400 0.077 0.000 2.383 18 D HA 0.136 4.776 4.640 0.000 0.000 0.248 18 D C 0.594 176.631 176.300 -0.438 0.000 1.170 18 D CA -0.038 53.928 54.000 -0.056 0.000 0.977 18 D CB 0.926 41.688 40.800 -0.065 0.000 1.120 18 D HN 0.655 nan 8.370 nan 0.000 0.481 19 A N 0.496 122.904 122.820 -0.687 0.000 1.972 19 A HA -0.169 4.151 4.320 0.000 0.000 0.219 19 A C 1.946 179.068 177.584 -0.770 0.000 1.169 19 A CA 2.000 53.274 52.037 -1.272 0.000 0.635 19 A CB -0.644 17.932 19.000 -0.706 0.000 0.810 19 A HN 0.514 nan 8.150 nan 0.000 0.446 20 S N -0.250 115.199 115.700 -0.419 0.000 2.474 20 S HA -0.105 4.366 4.470 0.000 0.000 0.235 20 S C 1.328 175.793 174.600 -0.224 0.000 0.997 20 S CA 1.350 59.386 58.200 -0.273 0.000 0.949 20 S CB -0.165 62.935 63.200 -0.166 0.000 0.766 20 S HN 0.669 nan 8.310 nan 0.000 0.517 21 E N 0.581 120.644 120.200 -0.229 0.000 2.201 21 E HA 0.093 4.443 4.350 0.000 0.000 0.193 21 E C 1.700 178.268 176.600 -0.053 0.000 0.957 21 E CA 0.763 57.099 56.400 -0.108 0.000 0.858 21 E CB -0.337 29.346 29.700 -0.029 0.000 0.816 21 E HN 0.885 nan 8.360 nan 0.000 0.475 22 Y N 0.248 120.514 120.300 -0.057 0.000 2.490 22 Y HA 0.311 4.861 4.550 0.000 0.000 0.285 22 Y C 0.544 176.404 175.900 -0.066 0.000 1.117 22 Y CA -0.377 57.704 58.100 -0.031 0.000 1.262 22 Y CB -0.566 37.901 38.460 0.012 0.000 1.043 22 Y HN -0.208 nan 8.280 nan 0.000 0.553 23 L N 2.111 123.236 121.223 -0.165 0.000 2.473 23 L HA 0.130 4.470 4.340 0.000 0.000 0.268 23 L C 0.991 177.817 176.870 -0.074 0.000 1.215 23 L CA -0.205 54.554 54.840 -0.135 0.000 0.823 23 L CB 0.359 42.167 42.059 -0.418 0.000 1.099 23 L HN 0.335 nan 8.230 nan 0.000 0.483 24 S N 1.639 117.311 115.700 -0.047 0.000 2.558 24 S HA 0.069 4.539 4.470 0.000 0.000 0.288 24 S C -1.526 173.044 174.600 -0.049 0.000 1.318 24 S CA -1.049 57.134 58.200 -0.028 0.000 1.056 24 S CB 0.603 63.793 63.200 -0.016 0.000 0.853 24 S HN 0.486 nan 8.310 nan 0.000 0.505 25 P HA -0.078 nan 4.420 nan 0.000 0.216 25 P C 1.694 178.988 177.300 -0.010 0.000 1.150 25 P CA 1.878 64.962 63.100 -0.026 0.000 0.843 25 P CB -0.622 31.071 31.700 -0.011 0.000 0.787 26 G N 0.336 109.137 108.800 0.001 0.000 2.418 26 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 26 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 26 G C 1.525 176.454 174.900 0.048 0.000 1.158 26 G CA 0.567 45.684 45.100 0.028 0.000 0.771 26 G HN 0.231 nan 8.290 nan 0.000 0.545 27 L N 0.783 122.003 121.223 -0.005 0.000 2.083 27 L HA 0.031 4.372 4.340 0.000 0.000 0.209 27 L C 2.894 179.774 176.870 0.017 0.000 1.083 27 L CA 1.260 56.090 54.840 -0.018 0.000 0.752 27 L CB -0.431 41.561 42.059 -0.112 0.000 0.899 27 L HN 0.092 nan 8.230 nan 0.000 0.433 28 V N -0.718 119.171 119.914 -0.042 0.000 2.307 28 V HA -0.304 3.816 4.120 0.000 0.000 0.245 28 V C 2.531 178.625 176.094 -0.000 0.000 1.045 28 V CA 1.855 64.120 62.300 -0.059 0.000 1.024 28 V CB -0.577 31.188 31.823 -0.097 0.000 0.651 28 V HN 0.514 nan 8.190 nan 0.000 0.449 29 Q N -1.008 118.804 119.800 0.020 0.000 2.061 29 Q HA -0.251 4.090 4.340 0.000 0.000 0.204 29 Q C 2.124 178.162 176.000 0.062 0.000 0.984 29 Q CA 2.363 58.183 55.803 0.028 0.000 0.846 29 Q CB -0.339 28.416 28.738 0.028 0.000 0.902 29 Q HN 0.653 nan 8.270 nan 0.000 0.421 30 F N 0.859 120.793 119.950 -0.026 0.000 2.069 30 F HA -0.261 4.267 4.527 0.001 0.000 0.298 30 F C 2.121 177.914 175.800 -0.012 0.000 1.113 30 F CA 1.536 59.531 58.000 -0.008 0.000 1.214 30 F CB -0.503 38.500 39.000 0.005 0.000 0.978 30 F HN 0.037 nan 8.300 nan 0.000 0.474 31 A N 0.582 123.584 122.820 0.303 0.000 1.908 31 A HA -0.219 4.101 4.320 0.000 0.000 0.218 31 A C 2.332 179.908 177.584 -0.015 0.000 1.181 31 A CA 1.915 54.054 52.037 0.171 0.000 0.627 31 A CB -0.785 18.287 19.000 0.119 0.000 0.818 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.677 119.802 120.500 -0.035 0.000 2.096 32 R HA -0.064 4.276 4.340 0.000 0.000 0.235 32 R C 2.357 178.585 176.300 -0.120 0.000 1.127 32 R CA 1.182 57.239 56.100 -0.071 0.000 0.968 32 R CB -0.436 29.832 30.300 -0.053 0.000 0.861 32 R HN 0.507 nan 8.270 nan 0.000 0.440 33 A N 0.444 123.173 122.820 -0.152 0.000 2.119 33 A HA -0.096 4.224 4.320 0.000 0.000 0.217 33 A C 1.824 179.224 177.584 -0.307 0.000 1.153 33 A CA 1.665 53.588 52.037 -0.191 0.000 0.692 33 A CB -0.227 18.665 19.000 -0.179 0.000 0.799 33 A HN 0.476 nan 8.150 nan 0.000 0.458 34 T N -5.014 109.294 114.554 -0.410 0.000 3.043 34 T HA 0.139 4.490 4.350 0.000 0.000 0.272 34 T C 0.947 175.262 174.700 -0.641 0.000 0.990 34 T CA 0.644 62.340 62.100 -0.674 0.000 0.897 34 T CB 0.044 68.603 68.868 -0.513 0.000 1.111 34 T HN 0.217 nan 8.240 nan 0.000 0.529 35 D N 2.951 123.142 120.400 -0.348 0.000 2.228 35 D HA -0.143 4.497 4.640 0.000 0.000 0.203 35 D C 2.174 178.334 176.300 -0.234 0.000 0.988 35 D CA 1.997 55.872 54.000 -0.208 0.000 0.864 35 D CB -0.124 40.600 40.800 -0.127 0.000 0.928 35 D HN 0.633 nan 8.370 nan 0.000 0.469 36 T N -2.833 111.516 114.554 -0.343 0.000 3.088 36 T HA -0.065 4.285 4.350 0.000 0.000 0.259 36 T C 1.337 176.005 174.700 -0.053 0.000 1.122 36 T CA 0.680 62.684 62.100 -0.159 0.000 1.095 36 T CB -0.398 68.433 68.868 -0.063 0.000 0.930 36 T HN 0.418 nan 8.240 nan 0.000 0.508 37 Y N -1.612 118.717 120.300 0.049 0.000 2.432 37 Y HA 0.688 5.238 4.550 0.000 0.000 0.252 37 Y C -0.036 175.984 175.900 0.199 0.000 1.097 37 Y CA -2.373 55.779 58.100 0.087 0.000 1.250 37 Y CB 0.465 38.965 38.460 0.067 0.000 1.245 37 Y HN 0.150 nan 8.280 nan 0.000 0.522 38 F N 1.411 121.361 119.950 -0.001 0.000 2.653 38 F HA 0.593 5.120 4.527 0.000 0.000 0.327 38 F C -0.894 174.911 175.800 0.009 0.000 1.195 38 F CA -1.318 56.720 58.000 0.063 0.000 0.993 38 F CB 1.653 40.742 39.000 0.148 0.000 1.259 38 F HN -0.149 nan 8.300 nan 0.000 0.478 39 S N 6.133 121.662 115.700 -0.284 0.000 2.457 39 S HA 0.525 4.996 4.470 0.000 0.000 0.289 39 S C 0.334 174.853 174.600 -0.136 0.000 1.163 39 S CA -0.523 57.583 58.200 -0.156 0.000 1.078 39 S CB 0.716 63.828 63.200 -0.146 0.000 0.987 39 S HN 0.785 nan 8.310 nan 0.000 0.482 40 L N 4.618 125.865 121.223 0.040 0.000 2.693 40 L HA 0.311 4.652 4.340 0.000 0.000 0.235 40 L C 2.362 179.332 176.870 0.166 0.000 1.127 40 L CA 0.151 55.078 54.840 0.145 0.000 0.914 40 L CB -0.306 41.963 42.059 0.349 0.000 1.193 40 L HN 0.848 nan 8.230 nan 0.000 0.502 41 G N 1.542 110.394 108.800 0.087 0.000 2.422 41 G HA2 -0.297 3.663 3.960 0.000 0.000 0.218 41 G HA3 -0.297 3.663 3.960 0.000 0.000 0.218 41 G C 1.264 176.207 174.900 0.072 0.000 1.146 41 G CA 0.958 46.118 45.100 0.100 0.000 0.769 41 G HN 0.557 nan 8.290 nan 0.000 0.547 42 N N 0.295 118.985 118.700 -0.016 0.000 2.461 42 N HA 0.052 4.792 4.740 0.000 0.000 0.188 42 N C 1.289 176.722 175.510 -0.128 0.000 1.134 42 N CA 0.414 53.431 53.050 -0.054 0.000 0.878 42 N CB 0.003 38.451 38.487 -0.065 0.000 0.972 42 N HN 0.180 nan 8.380 nan 0.000 0.456 43 K N -0.613 119.634 120.400 -0.255 0.000 2.374 43 K HA 0.256 4.576 4.320 0.000 0.000 0.196 43 K C -0.841 175.266 176.600 -0.821 0.000 1.023 43 K CA 0.157 56.096 56.287 -0.580 0.000 1.103 43 K CB 0.207 32.236 32.500 -0.786 0.000 0.848 43 K HN 0.097 nan 8.250 nan 0.000 0.528 44 F N 0.550 120.507 119.950 0.011 0.000 2.557 44 F HA 0.391 4.918 4.527 0.000 0.000 0.316 44 F C 0.271 176.088 175.800 0.028 0.000 1.141 44 F CA -1.347 56.675 58.000 0.036 0.000 0.922 44 F CB 1.194 40.192 39.000 -0.002 0.000 1.194 44 F HN -0.363 nan 8.300 nan 0.000 0.443 45 R N 2.250 122.880 120.500 0.216 0.000 2.543 45 R HA 0.216 4.556 4.340 0.000 0.000 0.277 45 R C -0.655 175.737 176.300 0.152 0.000 1.074 45 R CA -0.041 56.150 56.100 0.153 0.000 1.076 45 R CB 0.522 30.933 30.300 0.184 0.000 0.993 45 R HN 0.633 nan 8.270 nan 0.000 0.459 46 N N 4.487 123.245 118.700 0.096 0.000 2.626 46 N HA 0.244 4.984 4.740 0.000 0.000 0.249 46 N C -2.400 173.155 175.510 0.075 0.000 1.021 46 N CA -1.281 51.813 53.050 0.073 0.000 0.886 46 N CB 2.002 40.499 38.487 0.017 0.000 1.149 46 N HN 0.275 nan 8.380 nan 0.000 0.517 47 P HA 0.050 nan 4.420 nan 0.000 0.269 47 P C -0.186 177.140 177.300 0.044 0.000 1.209 47 P CA 0.031 63.173 63.100 0.070 0.000 0.776 47 P CB 0.658 32.415 31.700 0.096 0.000 0.876 48 T N -1.082 113.482 114.554 0.018 0.000 2.856 48 T HA 0.601 4.951 4.350 0.000 0.000 0.283 48 T C -0.525 174.177 174.700 0.003 0.000 1.008 48 T CA -0.762 61.347 62.100 0.014 0.000 0.997 48 T CB 1.165 70.038 68.868 0.007 0.000 0.992 48 T HN 0.160 nan 8.240 nan 0.000 0.454 49 V N 1.929 121.853 119.914 0.016 0.000 2.569 49 V HA 0.706 4.827 4.120 0.000 0.000 0.301 49 V C 0.526 176.634 176.094 0.024 0.000 1.044 49 V CA -1.161 61.149 62.300 0.017 0.000 0.874 49 V CB 1.292 33.143 31.823 0.048 0.000 1.002 49 V HN 1.359 nan 8.190 nan 0.000 0.424 50 A N 7.158 129.986 122.820 0.014 0.000 2.425 50 A HA 0.693 5.013 4.320 0.000 0.000 0.242 50 A C -1.702 175.899 177.584 0.028 0.000 1.077 50 A CA -0.756 51.294 52.037 0.021 0.000 0.781 50 A CB -0.181 18.825 19.000 0.011 0.000 1.020 50 A HN 0.698 nan 8.150 nan 0.000 0.494 51 P HA 0.194 nan 4.420 nan 0.000 0.274 51 P C 0.275 177.572 177.300 -0.005 0.000 1.231 51 P CA 0.148 63.271 63.100 0.037 0.000 0.790 51 P CB 0.856 32.592 31.700 0.060 0.000 0.951 52 T N -3.479 111.033 114.554 -0.069 0.000 3.044 52 T HA 0.164 4.514 4.350 0.000 0.000 0.260 52 T C 0.446 174.890 174.700 -0.426 0.000 1.019 52 T CA 0.001 61.962 62.100 -0.232 0.000 0.921 52 T CB -0.261 68.415 68.868 -0.320 0.000 1.053 52 T HN 0.436 nan 8.240 nan 0.000 0.533 53 H N 1.193 120.294 119.070 0.051 0.000 2.806 53 H HA 0.371 4.927 4.556 0.000 0.000 0.367 53 H C -0.392 174.970 175.328 0.057 0.000 1.136 53 H CA -0.493 55.584 56.048 0.048 0.000 1.178 53 H CB 1.745 31.533 29.762 0.043 0.000 1.718 53 H HN 0.012 nan 8.280 nan 0.000 0.540 54 D N 0.899 121.412 120.400 0.189 0.000 3.046 54 D HA -0.157 4.483 4.640 0.000 0.000 0.210 54 D C 1.180 177.566 176.300 0.142 0.000 1.124 54 D CA 0.927 55.014 54.000 0.145 0.000 0.986 54 D CB -1.192 39.685 40.800 0.129 0.000 1.118 54 D HN 0.270 nan 8.370 nan 0.000 0.416 55 V N -0.644 119.357 119.914 0.146 0.000 2.627 55 V HA 0.071 4.192 4.120 0.000 0.000 0.239 55 V C 1.169 177.409 176.094 0.243 0.000 1.077 55 V CA 1.495 63.916 62.300 0.201 0.000 1.103 55 V CB 0.552 32.486 31.823 0.186 0.000 0.802 55 V HN 0.098 nan 8.190 nan 0.000 0.482 56 T N 0.161 114.789 114.554 0.123 0.000 2.885 56 T HA 0.389 4.739 4.350 0.000 0.000 0.285 56 T C -0.248 174.457 174.700 0.008 0.000 1.019 56 T CA -0.079 62.045 62.100 0.040 0.000 1.010 56 T CB 1.952 70.792 68.868 -0.047 0.000 1.022 56 T HN 0.293 nan 8.240 nan 0.000 0.466 57 T N 1.156 115.691 114.554 -0.031 0.000 2.907 57 T HA 0.159 4.509 4.350 0.000 0.000 0.298 57 T C 0.897 175.529 174.700 -0.114 0.000 1.017 57 T CA -0.564 61.458 62.100 -0.131 0.000 1.118 57 T CB 0.321 69.001 68.868 -0.313 0.000 0.948 57 T HN 0.712 nan 8.240 nan 0.000 0.531 58 D N 2.945 123.276 120.400 -0.115 0.000 2.340 58 D HA 0.030 4.670 4.640 0.000 0.000 0.220 58 D C 0.541 176.791 176.300 -0.084 0.000 1.039 58 D CA 0.053 54.007 54.000 -0.077 0.000 0.866 58 D CB 0.122 40.896 40.800 -0.043 0.000 0.913 58 D HN 0.196 nan 8.370 nan 0.000 0.523 59 R N 0.411 120.829 120.500 -0.138 0.000 2.560 59 R HA 0.307 4.648 4.340 0.000 0.000 0.270 59 R C 0.173 176.441 176.300 -0.053 0.000 1.074 59 R CA -0.551 55.490 56.100 -0.098 0.000 1.140 59 R CB 0.368 30.586 30.300 -0.138 0.000 1.073 59 R HN 0.031 nan 8.270 nan 0.000 0.527 60 S N 0.901 116.589 115.700 -0.021 0.000 2.525 60 S HA 0.022 4.492 4.470 0.000 0.000 0.285 60 S C -0.253 174.349 174.600 0.002 0.000 1.283 60 S CA 0.243 58.437 58.200 -0.010 0.000 1.072 60 S CB 0.086 63.283 63.200 -0.005 0.000 0.867 60 S HN 0.446 nan 8.310 nan 0.000 0.492 61 Q N 3.717 123.515 119.800 -0.004 0.000 2.430 61 Q HA 0.213 4.553 4.340 0.000 0.000 0.253 61 Q C -1.308 174.684 176.000 -0.013 0.000 0.945 61 Q CA -0.811 54.991 55.803 -0.001 0.000 0.964 61 Q CB 0.681 29.442 28.738 0.039 0.000 1.460 61 Q HN 0.552 nan 8.270 nan 0.000 0.428 62 R N 3.355 123.833 120.500 -0.036 0.000 2.537 62 R HA 0.161 4.501 4.340 0.000 0.000 0.280 62 R C 0.746 177.062 176.300 0.026 0.000 1.058 62 R CA 0.303 56.390 56.100 -0.022 0.000 1.057 62 R CB 0.405 30.667 30.300 -0.063 0.000 0.973 62 R HN 0.766 nan 8.270 nan 0.000 0.438 63 L N 0.823 122.088 121.223 0.069 0.000 2.084 63 L HA 0.031 4.371 4.340 0.000 0.000 0.202 63 L C 0.707 177.710 176.870 0.222 0.000 1.074 63 L CA 1.128 56.050 54.840 0.135 0.000 0.757 63 L CB -0.090 42.023 42.059 0.090 0.000 0.918 63 L HN 0.464 nan 8.230 nan 0.000 0.444 64 T N 1.716 116.373 114.554 0.171 0.000 2.792 64 T HA 0.554 4.904 4.350 0.000 0.000 0.280 64 T C -0.383 174.398 174.700 0.135 0.000 0.990 64 T CA -0.348 61.882 62.100 0.216 0.000 0.960 64 T CB 1.859 70.858 68.868 0.219 0.000 0.939 64 T HN -0.059 nan 8.240 nan 0.000 0.439 65 L N 2.863 124.160 121.223 0.122 0.000 2.325 65 L HA 0.631 4.971 4.340 0.000 0.000 0.278 65 L C 0.409 177.043 176.870 -0.393 0.000 1.023 65 L CA -1.021 53.706 54.840 -0.188 0.000 0.811 65 L CB 1.691 43.557 42.059 -0.321 0.000 1.249 65 L HN 0.404 nan 8.230 nan 0.000 0.431 66 R N 2.201 122.329 120.500 -0.620 0.000 2.343 66 R HA 0.496 4.836 4.340 0.000 0.000 0.320 66 R C -1.646 174.251 176.300 -0.672 0.000 0.956 66 R CA -0.465 55.115 56.100 -0.867 0.000 0.836 66 R CB 0.773 30.640 30.300 -0.722 0.000 1.151 66 R HN 0.319 nan 8.270 nan 0.000 0.450 67 F N 4.628 124.403 119.950 -0.291 0.000 2.420 67 F HA 0.277 4.804 4.527 0.000 0.000 0.342 67 F C 0.521 176.374 175.800 0.088 0.000 1.113 67 F CA -0.840 57.132 58.000 -0.047 0.000 1.059 67 F CB 1.735 40.753 39.000 0.030 0.000 1.128 67 F HN 0.220 nan 8.300 nan 0.000 0.475 68 V N 1.376 121.455 119.914 0.276 0.000 2.743 68 V HA 0.642 4.763 4.120 0.000 0.000 0.301 68 V C -2.615 173.651 176.094 0.287 0.000 1.057 68 V CA -2.714 59.749 62.300 0.271 0.000 1.006 68 V CB 1.010 32.905 31.823 0.120 0.000 1.024 68 V HN 0.500 nan 8.190 nan 0.000 0.473 69 P HA 0.116 nan 4.420 nan 0.000 0.265 69 P C 0.739 177.992 177.300 -0.079 0.000 1.193 69 P CA 0.330 63.305 63.100 -0.208 0.000 0.765 69 P CB 0.804 32.358 31.700 -0.244 0.000 0.823 70 V N -1.240 118.615 119.914 -0.098 0.000 3.354 70 V HA 0.252 4.372 4.120 0.000 0.000 0.258 70 V C 0.359 176.408 176.094 -0.076 0.000 1.159 70 V CA 0.997 63.271 62.300 -0.042 0.000 1.125 70 V CB -0.218 31.608 31.823 0.004 0.000 0.774 70 V HN 0.360 nan 8.190 nan 0.000 0.464 71 D N 0.067 120.387 120.400 -0.133 0.000 2.623 71 D HA 0.559 5.199 4.640 0.000 0.000 0.241 71 D C -1.007 175.175 176.300 -0.197 0.000 1.241 71 D CA -0.507 53.413 54.000 -0.134 0.000 0.788 71 D CB 2.464 43.198 40.800 -0.111 0.000 1.413 71 D HN 0.560 nan 8.370 nan 0.000 0.429 72 R N 0.556 120.933 120.500 -0.206 0.000 2.663 72 R HA 0.665 5.005 4.340 0.000 0.000 0.267 72 R C -1.401 174.708 176.300 -0.318 0.000 1.038 72 R CA -0.897 55.017 56.100 -0.311 0.000 0.886 72 R CB 1.596 31.692 30.300 -0.341 0.000 1.249 72 R HN 0.281 nan 8.270 nan 0.000 0.463 73 E N 1.183 121.131 120.200 -0.420 0.000 2.244 73 E HA 0.151 4.501 4.350 0.000 0.000 0.260 73 E C -1.712 174.635 176.600 -0.421 0.000 0.884 73 E CA -0.703 55.501 56.400 -0.326 0.000 0.777 73 E CB 1.863 31.416 29.700 -0.246 0.000 1.197 73 E HN 0.514 nan 8.360 nan 0.000 0.416 74 D N 3.564 123.797 120.400 -0.278 0.000 2.473 74 D HA 0.234 4.874 4.640 0.000 0.000 0.226 74 D C -0.888 175.377 176.300 -0.059 0.000 1.089 74 D CA -0.123 53.811 54.000 -0.110 0.000 0.883 74 D CB 0.327 41.162 40.800 0.059 0.000 1.029 74 D HN 0.419 nan 8.370 nan 0.000 0.517 75 N N 0.886 119.525 118.700 -0.102 0.000 2.563 75 N HA 0.260 5.000 4.740 0.000 0.000 0.288 75 N C 1.028 176.476 175.510 -0.103 0.000 1.246 75 N CA -0.802 52.156 53.050 -0.155 0.000 0.946 75 N CB 0.964 39.238 38.487 -0.354 0.000 1.213 75 N HN 0.072 nan 8.380 nan 0.000 0.578 76 T N -0.414 114.093 114.554 -0.079 0.000 2.788 76 T HA -0.181 4.169 4.350 0.000 0.000 0.268 76 T C 1.280 175.989 174.700 0.015 0.000 1.044 76 T CA 1.584 63.677 62.100 -0.012 0.000 1.139 76 T CB -0.342 68.541 68.868 0.025 0.000 0.867 76 T HN 0.650 nan 8.240 nan 0.000 0.454 77 Y N 0.849 121.158 120.300 0.015 0.000 2.445 77 Y HA 0.583 5.134 4.550 0.000 0.000 0.247 77 Y C 0.566 176.620 175.900 0.257 0.000 1.129 77 Y CA -0.542 57.598 58.100 0.067 0.000 1.251 77 Y CB 0.312 38.795 38.460 0.039 0.000 1.176 77 Y HN 0.181 nan 8.280 nan 0.000 0.522 78 S N -0.901 114.689 115.700 -0.183 0.000 2.611 78 S HA 0.527 4.997 4.470 0.000 0.000 0.268 78 S C -2.035 172.639 174.600 0.124 0.000 1.156 78 S CA -0.773 57.458 58.200 0.051 0.000 0.817 78 S CB 1.853 64.972 63.200 -0.134 0.000 1.122 78 S HN 0.324 nan 8.310 nan 0.000 0.466 79 Y N 0.579 120.949 120.300 0.117 0.000 2.361 79 Y HA 0.615 5.165 4.550 0.000 0.000 0.328 79 Y C -1.361 174.583 175.900 0.074 0.000 1.044 79 Y CA -0.456 57.698 58.100 0.090 0.000 1.085 79 Y CB 1.516 40.099 38.460 0.204 0.000 1.194 79 Y HN 0.842 nan 8.280 nan 0.000 0.438 80 K N 6.102 126.353 120.400 -0.247 0.000 2.323 80 K HA 0.688 5.009 4.320 0.000 0.000 0.259 80 K C -1.355 175.095 176.600 -0.250 0.000 0.947 80 K CA -1.109 55.083 56.287 -0.159 0.000 0.819 80 K CB 2.433 34.811 32.500 -0.202 0.000 1.109 80 K HN 0.405 nan 8.250 nan 0.000 0.429 81 V N -0.198 119.649 119.914 -0.111 0.000 2.680 81 V HA 0.603 4.723 4.120 0.000 0.000 0.309 81 V C -0.541 175.385 176.094 -0.281 0.000 1.052 81 V CA -1.105 61.053 62.300 -0.236 0.000 0.908 81 V CB 1.696 33.404 31.823 -0.193 0.000 1.001 81 V HN 0.820 nan 8.190 nan 0.000 0.431 82 R N 2.602 122.867 120.500 -0.391 0.000 2.494 82 R HA 0.641 4.981 4.340 0.000 0.000 0.305 82 R C -1.890 174.145 176.300 -0.441 0.000 0.959 82 R CA -0.512 55.419 56.100 -0.281 0.000 0.864 82 R CB 1.602 31.816 30.300 -0.143 0.000 1.159 82 R HN 0.851 nan 8.270 nan 0.000 0.446 83 Y N 0.691 121.053 120.300 0.103 0.000 2.524 83 Y HA 0.327 4.877 4.550 0.000 0.000 0.344 83 Y C 0.145 176.105 175.900 0.100 0.000 1.012 83 Y CA -0.912 57.255 58.100 0.111 0.000 1.068 83 Y CB 2.619 41.147 38.460 0.114 0.000 1.249 83 Y HN 0.416 nan 8.280 nan 0.000 0.468 84 T N 4.045 118.742 114.554 0.238 0.000 2.891 84 T HA 0.238 4.589 4.350 0.000 0.000 0.315 84 T C -0.799 173.926 174.700 0.043 0.000 1.054 84 T CA -0.401 61.792 62.100 0.156 0.000 0.958 84 T CB -0.293 68.659 68.868 0.141 0.000 1.008 84 T HN 0.309 nan 8.240 nan 0.000 0.521 85 L N 4.480 125.685 121.223 -0.030 0.000 2.315 85 L HA 0.654 4.994 4.340 0.000 0.000 0.283 85 L C 0.013 176.881 176.870 -0.004 0.000 1.089 85 L CA -0.344 54.282 54.840 -0.355 0.000 0.833 85 L CB -0.230 41.717 42.059 -0.187 0.000 1.170 85 L HN 0.592 nan 8.230 nan 0.000 0.442 86 A N 5.452 128.332 122.820 0.099 0.000 2.288 86 A HA 0.703 5.023 4.320 0.000 0.000 0.320 86 A C -0.928 176.864 177.584 0.348 0.000 1.217 86 A CA -0.572 51.619 52.037 0.256 0.000 0.840 86 A CB 1.065 20.232 19.000 0.278 0.000 1.179 86 A HN 0.515 nan 8.150 nan 0.000 0.504 87 V N 3.430 123.533 119.914 0.315 0.000 2.334 87 V HA 0.530 4.650 4.120 0.000 0.000 0.281 87 V C 1.094 177.288 176.094 0.167 0.000 1.016 87 V CA -0.102 62.409 62.300 0.353 0.000 0.832 87 V CB 0.943 33.019 31.823 0.421 0.000 0.999 87 V HN 1.104 nan 8.190 nan 0.000 0.439 88 G N 2.651 111.481 108.800 0.051 0.000 2.653 88 G HA2 0.237 4.197 3.960 0.000 0.000 0.265 88 G HA3 0.237 4.197 3.960 0.000 0.000 0.265 88 G C -0.284 174.610 174.900 -0.011 0.000 1.237 88 G CA -0.333 44.760 45.100 -0.012 0.000 0.946 88 G HN 0.667 nan 8.290 nan 0.000 0.522 89 D N 0.094 120.466 120.400 -0.047 0.000 2.488 89 D HA -0.023 4.617 4.640 0.000 0.000 0.238 89 D C 0.720 176.925 176.300 -0.157 0.000 1.138 89 D CA 0.461 54.418 54.000 -0.072 0.000 0.873 89 D CB 0.149 40.904 40.800 -0.075 0.000 1.183 89 D HN 0.363 nan 8.370 nan 0.000 0.458 90 N N 1.840 120.460 118.700 -0.133 0.000 2.776 90 N HA -0.218 4.522 4.740 0.000 0.000 0.249 90 N C -0.629 174.818 175.510 -0.104 0.000 1.111 90 N CA 0.679 53.605 53.050 -0.207 0.000 0.711 90 N CB -0.930 37.174 38.487 -0.639 0.000 1.065 90 N HN 0.570 nan 8.380 nan 0.000 0.556 91 R N -0.667 119.851 120.500 0.029 0.000 2.836 91 R HA 0.794 5.134 4.340 0.000 0.000 0.269 91 R C -0.234 176.197 176.300 0.219 0.000 1.010 91 R CA -0.877 55.328 56.100 0.174 0.000 0.930 91 R CB 2.234 32.645 30.300 0.185 0.000 1.218 91 R HN 0.027 nan 8.270 nan 0.000 0.473 92 V N -0.931 119.150 119.914 0.277 0.000 3.078 92 V HA 0.750 4.871 4.120 0.000 0.000 0.311 92 V C -1.600 174.590 176.094 0.160 0.000 1.138 92 V CA -1.041 61.374 62.300 0.191 0.000 1.007 92 V CB 2.081 33.967 31.823 0.105 0.000 1.045 92 V HN 0.541 nan 8.190 nan 0.000 0.432 93 L N 2.184 123.407 121.223 0.000 0.000 2.376 93 L HA 0.687 5.027 4.340 0.000 0.000 0.275 93 L C -0.774 175.986 176.870 -0.184 0.000 0.987 93 L CA 0.000 54.691 54.840 -0.249 0.000 0.828 93 L CB 1.474 43.312 42.059 -0.368 0.000 1.249 93 L HN 0.951 nan 8.230 nan 0.000 0.409 94 D N 5.157 125.456 120.400 -0.168 0.000 2.316 94 D HA 0.119 4.759 4.640 0.000 0.000 0.245 94 D C 1.122 177.328 176.300 -0.155 0.000 1.171 94 D CA -0.294 53.638 54.000 -0.113 0.000 0.856 94 D CB 1.102 41.873 40.800 -0.048 0.000 1.090 94 D HN 0.544 nan 8.370 nan 0.000 0.476 95 M N 3.006 122.502 119.600 -0.174 0.000 2.435 95 M HA -0.119 4.362 4.480 0.000 0.000 0.262 95 M C 1.814 178.032 176.300 -0.137 0.000 1.065 95 M CA 0.572 55.749 55.300 -0.204 0.000 1.076 95 M CB -1.084 31.366 32.600 -0.250 0.000 1.403 95 M HN 0.511 nan 8.290 nan 0.000 0.454 96 A N 0.027 122.796 122.820 -0.084 0.000 2.121 96 A HA -0.081 4.239 4.320 0.000 0.000 0.218 96 A C 2.240 179.847 177.584 0.038 0.000 1.154 96 A CA 1.745 53.766 52.037 -0.027 0.000 0.679 96 A CB -0.663 18.343 19.000 0.010 0.000 0.795 96 A HN 0.594 nan 8.150 nan 0.000 0.458 97 S N -0.494 115.218 115.700 0.021 0.000 2.593 97 S HA 0.083 4.553 4.470 0.000 0.000 0.217 97 S C 0.835 175.503 174.600 0.115 0.000 0.966 97 S CA 0.514 58.778 58.200 0.106 0.000 0.914 97 S CB -0.945 62.280 63.200 0.042 0.000 0.776 97 S HN 0.650 nan 8.310 nan 0.000 0.523 98 T N 0.009 114.564 114.554 0.002 0.000 2.943 98 T HA 0.708 5.058 4.350 0.000 0.000 0.284 98 T C -0.637 174.037 174.700 -0.044 0.000 1.015 98 T CA -0.743 61.281 62.100 -0.127 0.000 1.042 98 T CB 1.052 69.791 68.868 -0.215 0.000 1.055 98 T HN 0.633 nan 8.240 nan 0.000 0.500 99 Y N -1.458 118.751 120.300 -0.151 0.000 2.713 99 Y HA 0.673 5.223 4.550 0.000 0.000 0.335 99 Y C -1.945 173.762 175.900 -0.322 0.000 1.222 99 Y CA -2.503 55.483 58.100 -0.191 0.000 1.061 99 Y CB 0.610 39.192 38.460 0.203 0.000 1.314 99 Y HN 0.593 nan 8.280 nan 0.000 0.453 100 F N 1.322 121.454 119.950 0.305 0.000 2.410 100 F HA 0.382 4.909 4.527 0.000 0.000 0.349 100 F C -0.141 175.825 175.800 0.276 0.000 1.117 100 F CA -0.271 57.853 58.000 0.207 0.000 1.104 100 F CB 1.289 40.402 39.000 0.187 0.000 1.122 100 F HN 0.558 nan 8.300 nan 0.000 0.483 101 D N 4.612 125.287 120.400 0.459 0.000 2.373 101 D HA 0.448 5.089 4.640 0.000 0.000 0.227 101 D C -0.784 175.663 176.300 0.245 0.000 1.091 101 D CA -0.102 54.134 54.000 0.394 0.000 0.840 101 D CB 0.646 41.771 40.800 0.541 0.000 1.060 101 D HN 0.330 nan 8.370 nan 0.000 0.502 102 I N 3.945 124.603 120.570 0.147 0.000 2.406 102 I HA 0.452 4.622 4.170 0.000 0.000 0.290 102 I C 0.236 176.363 176.117 0.018 0.000 0.999 102 I CA -0.862 60.450 61.300 0.020 0.000 1.124 102 I CB 1.654 39.624 38.000 -0.050 0.000 1.289 102 I HN 0.201 nan 8.210 nan 0.000 0.441 103 R N 3.564 123.963 120.500 -0.167 0.000 2.740 103 R HA 0.855 5.195 4.340 0.000 0.000 0.282 103 R C -0.263 175.682 176.300 -0.592 0.000 0.969 103 R CA -0.711 55.124 56.100 -0.442 0.000 0.918 103 R CB 2.581 32.666 30.300 -0.358 0.000 1.175 103 R HN 0.887 nan 8.270 nan 0.000 0.464 104 G N 0.283 108.432 108.800 -1.085 0.000 2.427 104 G HA2 0.371 4.331 3.960 0.000 0.000 0.306 104 G HA3 0.371 4.331 3.960 0.000 0.000 0.306 104 G C -1.853 172.720 174.900 -0.546 0.000 1.280 104 G CA -0.489 44.200 45.100 -0.686 0.000 0.837 104 G HN 0.327 nan 8.290 nan 0.000 0.482 105 V N 0.554 120.446 119.914 -0.036 0.000 2.487 105 V HA 0.675 4.795 4.120 0.000 0.000 0.298 105 V C -0.825 175.441 176.094 0.287 0.000 1.028 105 V CA -0.645 61.731 62.300 0.126 0.000 0.860 105 V CB 1.342 33.183 31.823 0.030 0.000 0.991 105 V HN 0.805 nan 8.190 nan 0.000 0.427 106 L N 4.049 125.466 121.223 0.322 0.000 2.341 106 L HA 0.764 5.104 4.340 0.000 0.000 0.278 106 L C -0.846 176.053 176.870 0.048 0.000 1.005 106 L CA 0.050 54.963 54.840 0.121 0.000 0.818 106 L CB 1.760 43.819 42.059 -0.001 0.000 1.259 106 L HN 0.689 nan 8.230 nan 0.000 0.418 107 D N 3.092 123.488 120.400 -0.006 0.000 2.414 107 D HA 0.345 4.985 4.640 0.000 0.000 0.232 107 D C 0.588 176.786 176.300 -0.170 0.000 1.070 107 D CA -0.308 53.673 54.000 -0.032 0.000 0.839 107 D CB 1.323 42.184 40.800 0.101 0.000 1.079 107 D HN 0.580 nan 8.370 nan 0.000 0.521 108 R N 2.068 122.387 120.500 -0.302 0.000 2.276 108 R HA 0.332 4.672 4.340 0.000 0.000 0.203 108 R C 1.263 177.429 176.300 -0.223 0.000 1.017 108 R CA 0.497 56.386 56.100 -0.353 0.000 1.010 108 R CB 0.013 29.909 30.300 -0.674 0.000 0.900 108 R HN 0.640 nan 8.270 nan 0.000 0.469 109 G N 0.556 109.234 108.800 -0.204 0.000 2.757 109 G HA2 -0.175 3.786 3.960 0.000 0.000 0.638 109 G HA3 -0.175 3.786 3.960 0.000 0.000 0.638 109 G C -2.130 172.687 174.900 -0.138 0.000 1.344 109 G CA -0.518 44.498 45.100 -0.140 0.000 0.855 109 G HN 0.001 nan 8.290 nan 0.000 0.537 110 P HA 0.029 nan 4.420 nan 0.000 0.237 110 P C 1.545 178.686 177.300 -0.265 0.000 1.178 110 P CA 1.737 64.747 63.100 -0.150 0.000 0.766 110 P CB 0.031 31.674 31.700 -0.096 0.000 0.876 111 S N -1.711 113.812 115.700 -0.295 0.000 2.575 111 S HA 0.043 4.513 4.470 0.000 0.000 0.215 111 S C 0.452 174.735 174.600 -0.529 0.000 0.966 111 S CA -0.621 57.213 58.200 -0.610 0.000 0.911 111 S CB -1.072 61.906 63.200 -0.370 0.000 0.780 111 S HN -0.040 nan 8.310 nan 0.000 0.514 112 F N 3.295 122.991 119.950 -0.423 0.000 2.504 112 F HA 0.498 5.025 4.527 0.000 0.000 0.369 112 F C 0.190 175.754 175.800 -0.393 0.000 1.082 112 F CA -0.558 57.235 58.000 -0.345 0.000 1.216 112 F CB 0.489 39.330 39.000 -0.264 0.000 1.108 112 F HN 0.104 nan 8.300 nan 0.000 0.554 113 K N 8.907 128.720 120.400 -0.979 0.000 2.764 113 K HA 0.312 4.632 4.320 0.000 0.000 0.239 113 K C -2.733 173.179 176.600 -1.146 0.000 1.048 113 K CA -1.546 54.099 56.287 -1.071 0.000 1.057 113 K CB 1.339 33.360 32.500 -0.797 0.000 1.251 113 K HN 0.281 nan 8.250 nan 0.000 0.524 114 P HA 0.067 nan 4.420 nan 0.000 0.235 114 P C -1.481 175.621 177.300 -0.330 0.000 1.725 114 P CA 0.040 62.665 63.100 -0.792 0.000 0.894 114 P CB -0.716 30.809 31.700 -0.291 0.000 1.704 115 Y N -4.743 115.249 120.300 -0.514 0.000 2.732 115 Y HA 0.560 5.110 4.550 0.000 0.000 0.342 115 Y C -1.032 174.720 175.900 -0.247 0.000 1.203 115 Y CA -1.329 56.621 58.100 -0.250 0.000 1.092 115 Y CB -0.066 38.300 38.460 -0.156 0.000 1.345 115 Y HN -0.339 nan 8.280 nan 0.000 0.458 116 S N 1.190 116.925 115.700 0.057 0.000 2.578 116 S HA 0.784 5.254 4.470 0.000 0.000 0.283 116 S C 0.388 175.075 174.600 0.146 0.000 1.195 116 S CA 0.126 58.310 58.200 -0.025 0.000 1.050 116 S CB 0.997 64.157 63.200 -0.067 0.000 1.012 116 S HN 1.785 nan 8.310 nan 0.000 0.511 117 G N 1.281 110.146 108.800 0.109 0.000 2.615 117 G HA2 -0.112 3.848 3.960 0.000 0.000 0.218 117 G HA3 -0.112 3.848 3.960 0.000 0.000 0.218 117 G C -0.257 174.772 174.900 0.214 0.000 1.339 117 G CA -0.126 45.083 45.100 0.182 0.000 0.884 117 G HN 0.939 nan 8.290 nan 0.000 0.559 118 T N -1.162 113.445 114.554 0.088 0.000 2.907 118 T HA 0.737 5.087 4.350 0.000 0.000 0.292 118 T C 1.188 175.729 174.700 -0.264 0.000 1.043 118 T CA 0.745 62.816 62.100 -0.049 0.000 1.003 118 T CB 1.487 70.134 68.868 -0.369 0.000 1.084 118 T HN 2.023 nan 8.240 nan 0.000 0.483 119 A N 2.696 125.203 122.820 -0.521 0.000 2.208 119 A HA 0.308 4.628 4.320 0.000 0.000 0.209 119 A C -0.197 176.841 177.584 -0.909 0.000 1.161 119 A CA 0.431 51.933 52.037 -0.892 0.000 0.782 119 A CB -0.302 17.963 19.000 -1.225 0.000 0.816 119 A HN 0.779 nan 8.150 nan 0.000 0.477 120 Y N 0.206 120.418 120.300 -0.145 0.000 2.345 120 Y HA 0.329 4.880 4.550 0.000 0.000 0.331 120 Y C 0.119 175.924 175.900 -0.160 0.000 0.959 120 Y CA -0.975 57.070 58.100 -0.091 0.000 1.204 120 Y CB 0.745 39.195 38.460 -0.017 0.000 1.135 120 Y HN 0.264 nan 8.280 nan 0.000 0.477 121 N N 0.607 119.329 118.700 0.036 0.000 2.727 121 N HA -0.225 4.516 4.740 0.000 0.000 0.249 121 N C 1.085 176.576 175.510 -0.031 0.000 1.048 121 N CA 1.174 54.242 53.050 0.030 0.000 0.714 121 N CB -1.115 37.418 38.487 0.076 0.000 0.959 121 N HN 0.806 nan 8.380 nan 0.000 0.544 122 S N -1.207 114.444 115.700 -0.082 0.000 2.440 122 S HA -0.080 4.391 4.470 0.000 0.000 0.238 122 S C 1.686 176.421 174.600 0.225 0.000 1.010 122 S CA 0.671 58.862 58.200 -0.016 0.000 0.972 122 S CB -0.068 63.121 63.200 -0.018 0.000 0.774 122 S HN 0.523 nan 8.310 nan 0.000 0.501 123 L N 1.084 122.395 121.223 0.146 0.000 2.492 123 L HA 0.310 4.650 4.340 0.000 0.000 0.223 123 L C 1.433 178.398 176.870 0.158 0.000 1.132 123 L CA 0.035 54.960 54.840 0.143 0.000 0.850 123 L CB -0.686 41.429 42.059 0.093 0.000 0.966 123 L HN 0.325 nan 8.230 nan 0.000 0.454 124 A N 1.158 124.099 122.820 0.202 0.000 2.546 124 A HA 0.256 4.577 4.320 0.000 0.000 0.243 124 A C -2.089 175.592 177.584 0.162 0.000 1.063 124 A CA -0.928 51.221 52.037 0.187 0.000 0.757 124 A CB -0.597 18.532 19.000 0.215 0.000 0.991 124 A HN -0.021 nan 8.150 nan 0.000 0.503 125 P HA 0.018 nan 4.420 nan 0.000 0.265 125 P C 0.334 177.633 177.300 -0.002 0.000 1.187 125 P CA 0.245 63.359 63.100 0.024 0.000 0.766 125 P CB 0.435 32.151 31.700 0.027 0.000 0.820 126 K N 1.656 121.991 120.400 -0.109 0.000 2.504 126 K HA 0.025 4.345 4.320 0.000 0.000 0.195 126 K C 1.574 178.127 176.600 -0.079 0.000 1.036 126 K CA 0.935 57.107 56.287 -0.192 0.000 0.984 126 K CB -0.129 32.134 32.500 -0.395 0.000 0.788 126 K HN 0.588 nan 8.250 nan 0.000 0.488 127 G N 0.278 109.051 108.800 -0.045 0.000 3.324 127 G HA2 0.247 4.207 3.960 0.000 0.000 0.251 127 G HA3 0.247 4.207 3.960 0.000 0.000 0.251 127 G C -0.019 174.876 174.900 -0.009 0.000 1.072 127 G CA -0.271 44.813 45.100 -0.027 0.000 0.787 127 G HN 0.194 nan 8.290 nan 0.000 0.537 128 A N 1.744 124.578 122.820 0.022 0.000 2.401 128 A HA 0.680 5.001 4.320 0.000 0.000 0.259 128 A C -2.020 175.603 177.584 0.066 0.000 1.103 128 A CA -1.090 50.977 52.037 0.050 0.000 0.789 128 A CB 0.820 19.867 19.000 0.078 0.000 1.035 128 A HN 0.187 nan 8.150 nan 0.000 0.491 129 P HA 0.202 nan 4.420 nan 0.000 0.278 129 P C -0.647 176.728 177.300 0.124 0.000 1.266 129 P CA -0.645 62.505 63.100 0.083 0.000 0.807 129 P CB 0.708 32.449 31.700 0.068 0.000 1.094 130 N N -1.092 117.676 118.700 0.113 0.000 2.399 130 N HA 0.150 4.890 4.740 0.000 0.000 0.250 130 N C -0.116 175.479 175.510 0.142 0.000 1.272 130 N CA -0.001 53.115 53.050 0.111 0.000 0.928 130 N CB -0.117 38.423 38.487 0.088 0.000 1.158 130 N HN 0.308 nan 8.380 nan 0.000 0.463 131 T N 0.944 115.566 114.554 0.114 0.000 2.829 131 T HA 0.295 4.645 4.350 0.000 0.000 0.293 131 T C 0.105 174.887 174.700 0.136 0.000 0.970 131 T CA -0.185 61.982 62.100 0.112 0.000 1.168 131 T CB -1.066 67.831 68.868 0.048 0.000 0.911 131 T HN 0.655 nan 8.240 nan 0.000 0.535 132 C N 2.850 122.270 119.300 0.200 0.000 3.284 132 C HA 0.750 5.210 4.460 0.000 0.000 0.348 132 C C -1.421 173.756 174.990 0.312 0.000 1.448 132 C CA -1.132 58.017 59.018 0.219 0.000 1.223 132 C CB 1.328 29.195 27.740 0.210 0.000 1.588 132 C HN 0.784 nan 8.230 nan 0.000 0.451 133 Q N -0.359 119.624 119.800 0.305 0.000 2.528 133 Q HA 0.790 5.130 4.340 0.000 0.000 0.289 133 Q C -1.583 174.694 176.000 0.462 0.000 1.091 133 Q CA -0.263 55.716 55.803 0.293 0.000 0.797 133 Q CB 2.866 31.684 28.738 0.134 0.000 1.466 133 Q HN 0.902 nan 8.270 nan 0.000 0.436 134 W N -0.934 120.458 121.300 0.153 0.000 3.074 134 W HA 0.678 5.338 4.660 0.000 0.000 0.332 134 W C -1.204 175.428 176.519 0.189 0.000 1.253 134 W CA -0.981 56.434 57.345 0.117 0.000 1.180 134 W CB 0.544 30.028 29.460 0.039 0.000 1.445 134 W HN 0.596 nan 8.180 nan 0.000 0.573 135 T N -0.586 114.149 114.554 0.301 0.000 2.918 135 T HA 0.707 5.057 4.350 0.000 0.000 0.286 135 T C -1.805 173.116 174.700 0.368 0.000 1.026 135 T CA -0.562 61.688 62.100 0.250 0.000 1.031 135 T CB 2.288 71.262 68.868 0.177 0.000 1.046 135 T HN 0.921 nan 8.240 nan 0.000 0.479 136 Y N -0.384 120.019 120.300 0.172 0.000 2.482 136 Y HA 0.545 5.095 4.550 0.000 0.000 0.334 136 Y C -1.039 174.955 175.900 0.156 0.000 1.091 136 Y CA -0.826 57.347 58.100 0.121 0.000 1.027 136 Y CB 1.001 39.429 38.460 -0.054 0.000 1.306 136 Y HN 1.097 nan 8.280 nan 0.000 0.446 137 K N 3.459 123.576 120.400 -0.473 0.000 2.450 137 K HA 0.936 5.257 4.320 0.000 0.000 0.257 137 K C -0.555 175.623 176.600 -0.703 0.000 0.953 137 K CA -0.206 55.842 56.287 -0.398 0.000 0.844 137 K CB 1.014 33.405 32.500 -0.182 0.000 1.103 137 K HN 1.119 nan 8.250 nan 0.000 0.429 144 T N 1.593 116.133 114.554 -0.023 0.000 2.829 144 T HA 0.493 4.844 4.350 0.000 0.000 0.282 144 T C 0.032 174.727 174.700 -0.009 0.000 0.990 144 T CA -0.037 62.054 62.100 -0.015 0.000 1.028 144 T CB 1.215 70.078 68.868 -0.008 0.000 0.951 144 T HN 0.732 nan 8.240 nan 0.000 0.460 145 E N 3.057 123.256 120.200 -0.001 0.000 2.223 145 E HA 0.236 4.586 4.350 0.000 0.000 0.282 145 E C -0.532 176.099 176.600 0.053 0.000 1.046 145 E CA -0.348 56.067 56.400 0.026 0.000 0.857 145 E CB 0.396 30.110 29.700 0.023 0.000 1.055 145 E HN 0.381 nan 8.360 nan 0.000 0.409 146 K N 2.895 123.369 120.400 0.123 0.000 2.267 146 K HA 0.378 4.698 4.320 0.000 0.000 0.246 146 K C -0.818 175.856 176.600 0.123 0.000 0.954 146 K CA -0.993 55.335 56.287 0.067 0.000 0.824 146 K CB 2.038 34.515 32.500 -0.039 0.000 1.167 146 K HN 0.423 nan 8.250 nan 0.000 0.431 147 T N 1.856 116.395 114.554 -0.025 0.000 2.806 147 T HA 0.350 4.701 4.350 0.000 0.000 0.290 147 T C -0.896 173.668 174.700 -0.227 0.000 0.966 147 T CA -0.261 61.818 62.100 -0.036 0.000 1.060 147 T CB 0.064 68.910 68.868 -0.037 0.000 0.927 147 T HN 0.239 nan 8.240 nan 0.000 0.485 148 Y N 0.930 120.886 120.300 -0.573 0.000 2.549 148 Y HA 0.629 5.180 4.550 0.000 0.000 0.339 148 Y C 0.767 176.157 175.900 -0.850 0.000 1.053 148 Y CA -0.912 56.658 58.100 -0.882 0.000 1.105 148 Y CB 2.150 39.512 38.460 -1.831 0.000 1.258 148 Y HN 0.528 nan 8.280 nan 0.000 0.478 149 T N 1.393 115.716 114.554 -0.386 0.000 2.909 149 T HA 0.442 4.793 4.350 0.000 0.000 0.299 149 T C -2.165 172.623 174.700 0.147 0.000 1.073 149 T CA -0.828 61.223 62.100 -0.081 0.000 0.999 149 T CB 1.527 70.349 68.868 -0.076 0.000 1.098 149 T HN 0.460 nan 8.240 nan 0.000 0.477 150 Y N 0.519 120.935 120.300 0.194 0.000 2.470 150 Y HA 0.702 5.252 4.550 0.000 0.000 0.341 150 Y C 0.092 176.043 175.900 0.086 0.000 1.021 150 Y CA 0.408 58.617 58.100 0.182 0.000 1.025 150 Y CB 1.662 40.312 38.460 0.316 0.000 1.266 150 Y HN 1.067 nan 8.280 nan 0.000 0.448 151 G N 3.842 112.240 108.800 -0.670 0.000 2.403 151 G HA2 0.158 4.118 3.960 0.000 0.000 0.223 151 G HA3 0.158 4.118 3.960 0.000 0.000 0.223 151 G C -2.017 172.662 174.900 -0.369 0.000 1.287 151 G CA -0.451 44.424 45.100 -0.375 0.000 0.982 151 G HN 1.118 nan 8.290 nan 0.000 0.471 152 N N -0.287 118.296 118.700 -0.194 0.000 2.494 152 N HA 0.679 5.419 4.740 0.000 0.000 0.270 152 N C -0.941 174.506 175.510 -0.104 0.000 1.285 152 N CA -0.083 52.862 53.050 -0.175 0.000 0.812 152 N CB 1.925 40.322 38.487 -0.149 0.000 1.557 152 N HN 1.681 nan 8.380 nan 0.000 0.487 153 A N 1.144 123.903 122.820 -0.102 0.000 2.360 153 A HA 0.522 4.843 4.320 0.000 0.000 0.309 153 A C -2.020 175.590 177.584 0.044 0.000 1.311 153 A CA -1.268 50.770 52.037 0.000 0.000 0.805 153 A CB 1.086 20.113 19.000 0.045 0.000 1.144 153 A HN 0.651 nan 8.150 nan 0.000 0.486 154 P HA 0.069 nan 4.420 nan 0.000 0.245 154 P C 0.077 177.558 177.300 0.303 0.000 1.199 154 P CA 0.401 63.581 63.100 0.134 0.000 0.807 154 P CB 0.351 32.091 31.700 0.067 0.000 1.002 155 V N 2.466 122.521 119.914 0.236 0.000 2.368 155 V HA 0.161 4.281 4.120 0.000 0.000 0.266 155 V C 0.693 176.785 176.094 -0.002 0.000 1.045 155 V CA -0.379 61.986 62.300 0.108 0.000 0.899 155 V CB 0.444 32.274 31.823 0.011 0.000 1.006 155 V HN 0.106 nan 8.190 nan 0.000 0.470 156 Q N 3.124 122.789 119.800 -0.225 0.000 2.332 156 Q HA 0.488 4.828 4.340 0.000 0.000 0.263 156 Q C 0.282 176.078 176.000 -0.339 0.000 0.979 156 Q CA 0.006 55.388 55.803 -0.703 0.000 0.885 156 Q CB 1.223 29.541 28.738 -0.700 0.000 1.218 156 Q HN 0.876 nan 8.270 nan 0.000 0.405 157 G N 2.702 111.319 108.800 -0.305 0.000 2.511 157 G HA2 0.368 4.328 3.960 0.000 0.000 0.318 157 G HA3 0.368 4.328 3.960 0.000 0.000 0.318 157 G C 0.498 175.322 174.900 -0.127 0.000 1.210 157 G CA -0.652 44.360 45.100 -0.146 0.000 0.969 157 G HN 0.812 nan 8.290 nan 0.000 0.484 158 I N -0.319 120.195 120.570 -0.093 0.000 2.315 158 I HA -0.013 4.157 4.170 0.000 0.000 0.248 158 I C 0.961 177.053 176.117 -0.042 0.000 1.117 158 I CA 0.957 62.212 61.300 -0.075 0.000 1.404 158 I CB -0.004 37.946 38.000 -0.083 0.000 1.071 158 I HN 0.402 nan 8.210 nan 0.000 0.419 159 N N -0.745 117.947 118.700 -0.012 0.000 3.227 159 N HA 0.479 5.219 4.740 0.000 0.000 0.241 159 N C -1.712 173.866 175.510 0.113 0.000 1.480 159 N CA -0.573 52.501 53.050 0.041 0.000 0.886 159 N CB 1.522 40.037 38.487 0.046 0.000 1.406 159 N HN -0.083 nan 8.380 nan 0.000 0.514 160 I N 0.905 121.564 120.570 0.149 0.000 2.534 160 I HA 0.424 4.595 4.170 0.000 0.000 0.288 160 I C -0.001 176.218 176.117 0.169 0.000 1.077 160 I CA -0.559 60.878 61.300 0.228 0.000 1.051 160 I CB 1.998 40.151 38.000 0.254 0.000 1.234 160 I HN 0.696 nan 8.210 nan 0.000 0.425 161 T N 0.858 115.518 114.554 0.177 0.000 2.724 161 T HA 0.356 4.706 4.350 0.000 0.000 0.274 161 T C 0.780 175.375 174.700 -0.176 0.000 0.984 161 T CA -0.715 61.376 62.100 -0.015 0.000 1.024 161 T CB 1.362 70.236 68.868 0.009 0.000 1.320 161 T HN 0.621 nan 8.240 nan 0.000 0.555 162 K N 0.133 120.353 120.400 -0.300 0.000 2.281 162 K HA -0.054 4.266 4.320 0.000 0.000 0.203 162 K C 0.994 177.493 176.600 -0.168 0.000 1.046 162 K CA 1.686 57.753 56.287 -0.367 0.000 0.938 162 K CB -0.413 31.914 32.500 -0.288 0.000 0.737 162 K HN 0.479 nan 8.250 nan 0.000 0.458 163 D N 0.660 120.880 120.400 -0.301 0.000 2.340 163 D HA 0.131 4.771 4.640 0.000 0.000 0.220 163 D C 0.807 176.977 176.300 -0.217 0.000 1.039 163 D CA 0.999 54.739 54.000 -0.433 0.000 0.866 163 D CB 0.490 40.687 40.800 -1.005 0.000 0.913 163 D HN 0.484 nan 8.370 nan 0.000 0.523 164 G N 1.246 110.111 108.800 0.110 0.000 2.428 164 G HA2 -0.211 3.749 3.960 0.000 0.000 0.202 164 G HA3 -0.211 3.749 3.960 0.000 0.000 0.202 164 G C -0.716 174.470 174.900 0.477 0.000 1.247 164 G CA -0.536 44.764 45.100 0.333 0.000 1.020 164 G HN 0.233 nan 8.290 nan 0.000 0.529 165 I N 1.112 121.969 120.570 0.478 0.000 2.395 165 I HA 0.482 4.652 4.170 0.000 0.000 0.289 165 I C 0.780 177.055 176.117 0.263 0.000 1.023 165 I CA -0.433 61.066 61.300 0.331 0.000 1.350 165 I CB 1.027 39.156 38.000 0.215 0.000 1.409 165 I HN 0.678 nan 8.210 nan 0.000 0.507 166 Q N 6.697 126.561 119.800 0.107 0.000 2.295 166 Q HA 0.218 4.558 4.340 0.000 0.000 0.259 166 Q C -0.324 175.590 176.000 -0.143 0.000 0.976 166 Q CA -0.225 55.452 55.803 -0.210 0.000 0.923 166 Q CB 1.129 29.687 28.738 -0.302 0.000 1.185 166 Q HN 0.866 nan 8.270 nan 0.000 0.410 167 L N 2.874 124.001 121.223 -0.159 0.000 2.515 167 L HA 0.410 4.750 4.340 0.000 0.000 0.223 167 L C 0.872 177.673 176.870 -0.115 0.000 1.079 167 L CA 0.383 55.152 54.840 -0.118 0.000 0.857 167 L CB 0.653 42.646 42.059 -0.110 0.000 1.050 167 L HN 0.765 nan 8.230 nan 0.000 0.476 168 G N -1.097 107.618 108.800 -0.140 0.000 2.634 168 G HA2 0.544 4.505 3.960 0.000 0.000 0.309 168 G HA3 0.544 4.505 3.960 0.000 0.000 0.309 168 G C -1.416 173.408 174.900 -0.127 0.000 1.299 168 G CA -0.190 44.843 45.100 -0.111 0.000 0.798 168 G HN -0.198 nan 8.290 nan 0.000 0.490 169 T N 0.762 115.263 114.554 -0.088 0.000 2.933 169 T HA 0.518 4.868 4.350 0.000 0.000 0.305 169 T C -1.180 173.490 174.700 -0.050 0.000 1.092 169 T CA -0.577 61.477 62.100 -0.077 0.000 1.008 169 T CB 2.113 70.944 68.868 -0.063 0.000 1.102 169 T HN 0.405 nan 8.240 nan 0.000 0.469 170 D N 1.337 121.713 120.400 -0.041 0.000 2.354 170 D HA 0.130 4.770 4.640 0.000 0.000 0.238 170 D C 1.329 177.619 176.300 -0.017 0.000 1.250 170 D CA 0.158 54.145 54.000 -0.022 0.000 0.911 170 D CB 0.723 41.515 40.800 -0.014 0.000 1.163 170 D HN 0.534 nan 8.370 nan 0.000 0.456 171 T N -0.628 113.920 114.554 -0.010 0.000 3.085 171 T HA -0.054 4.297 4.350 0.000 0.000 0.263 171 T C 0.790 175.487 174.700 -0.005 0.000 1.127 171 T CA 0.520 62.615 62.100 -0.007 0.000 1.103 171 T CB 0.149 69.015 68.868 -0.003 0.000 0.921 171 T HN 0.327 nan 8.240 nan 0.000 0.510 172 D N 0.841 121.238 120.400 -0.004 0.000 2.349 172 D HA 0.032 4.672 4.640 0.000 0.000 0.214 172 D C 0.221 176.519 176.300 -0.004 0.000 1.063 172 D CA 0.110 54.109 54.000 -0.001 0.000 0.847 172 D CB 0.231 41.033 40.800 0.004 0.000 0.933 172 D HN 0.134 nan 8.370 nan 0.000 0.513 173 D N -0.341 120.053 120.400 -0.010 0.000 3.077 173 D HA -0.156 4.484 4.640 0.000 0.000 0.212 173 D C 0.470 176.760 176.300 -0.017 0.000 1.125 173 D CA 1.051 55.042 54.000 -0.015 0.000 0.970 173 D CB -1.240 39.554 40.800 -0.010 0.000 1.110 173 D HN 0.453 nan 8.370 nan 0.000 0.419 174 Q N -0.124 119.668 119.800 -0.014 0.000 2.227 174 Q HA 0.593 4.933 4.340 0.000 0.000 0.245 174 Q C -2.574 173.398 176.000 -0.047 0.000 0.926 174 Q CA -1.255 54.541 55.803 -0.010 0.000 0.895 174 Q CB 0.336 29.082 28.738 0.013 0.000 1.230 174 Q HN -0.003 nan 8.270 nan 0.000 0.450 175 P HA 0.264 nan 4.420 nan 0.000 0.268 175 P C -0.830 176.304 177.300 -0.276 0.000 1.205 175 P CA 0.067 63.023 63.100 -0.240 0.000 0.771 175 P CB 0.462 31.953 31.700 -0.348 0.000 0.858 176 I N 3.444 123.818 120.570 -0.327 0.000 2.330 176 I HA 0.274 4.444 4.170 0.000 0.000 0.289 176 I C -0.071 175.826 176.117 -0.367 0.000 1.001 176 I CA -0.721 60.443 61.300 -0.227 0.000 1.193 176 I CB 0.536 38.467 38.000 -0.115 0.000 1.345 176 I HN 0.300 nan 8.210 nan 0.000 0.461 177 Y N 4.028 124.334 120.300 0.009 0.000 2.307 177 Y HA 0.519 5.069 4.550 0.000 0.000 0.324 177 Y C 0.963 176.851 175.900 -0.020 0.000 1.238 177 Y CA -0.620 57.492 58.100 0.020 0.000 1.280 177 Y CB 0.983 39.478 38.460 0.058 0.000 1.248 177 Y HN 0.602 nan 8.280 nan 0.000 0.508 178 A N 1.764 124.643 122.820 0.098 0.000 2.565 178 A HA -0.029 4.292 4.320 0.000 0.000 0.237 178 A C -0.045 177.503 177.584 -0.061 0.000 1.053 178 A CA -0.226 51.750 52.037 -0.102 0.000 0.755 178 A CB -0.193 18.632 19.000 -0.292 0.000 0.980 178 A HN 0.702 nan 8.150 nan 0.000 0.506 179 D N 2.114 122.391 120.400 -0.205 0.000 2.352 179 D HA 0.058 4.698 4.640 0.000 0.000 0.245 179 D C 1.387 177.545 176.300 -0.237 0.000 1.224 179 D CA -0.190 53.719 54.000 -0.151 0.000 0.879 179 D CB 0.708 41.439 40.800 -0.114 0.000 1.057 179 D HN 0.624 nan 8.370 nan 0.000 0.491 180 K N 1.443 121.821 120.400 -0.036 0.000 2.360 180 K HA -0.176 4.144 4.320 0.000 0.000 0.201 180 K C 1.293 177.843 176.600 -0.082 0.000 1.046 180 K CA 1.533 57.843 56.287 0.037 0.000 0.940 180 K CB -0.397 32.256 32.500 0.255 0.000 0.748 180 K HN 0.361 nan 8.250 nan 0.000 0.465 181 T N -2.168 112.311 114.554 -0.125 0.000 3.035 181 T HA -0.121 4.229 4.350 0.000 0.000 0.268 181 T C 1.394 176.022 174.700 -0.121 0.000 1.109 181 T CA 0.787 62.719 62.100 -0.279 0.000 1.119 181 T CB -0.425 68.215 68.868 -0.379 0.000 0.900 181 T HN 0.700 nan 8.240 nan 0.000 0.503 182 Y N -0.973 119.211 120.300 -0.193 0.000 2.617 182 Y HA 0.511 5.061 4.550 0.000 0.000 0.280 182 Y C 0.197 176.005 175.900 -0.153 0.000 1.005 182 Y CA -1.140 56.868 58.100 -0.154 0.000 1.194 182 Y CB 0.442 38.832 38.460 -0.116 0.000 1.405 182 Y HN 0.124 nan 8.280 nan 0.000 0.580 183 Q N 3.658 123.027 119.800 -0.718 0.000 2.301 183 Q HA 0.477 4.817 4.340 0.000 0.000 0.267 183 Q C -2.734 172.825 176.000 -0.735 0.000 1.035 183 Q CA -2.615 52.806 55.803 -0.638 0.000 0.856 183 Q CB 2.176 30.484 28.738 -0.717 0.000 1.337 183 Q HN 0.009 nan 8.270 nan 0.000 0.450 184 P HA -0.008 nan 4.420 nan 0.000 0.272 184 P C -1.028 176.141 177.300 -0.219 0.000 1.230 184 P CA -0.038 62.848 63.100 -0.357 0.000 0.788 184 P CB 0.721 32.267 31.700 -0.256 0.000 0.949 185 E N 2.635 122.762 120.200 -0.122 0.000 2.249 185 E HA 0.184 4.534 4.350 0.000 0.000 0.280 185 E C -1.435 175.155 176.600 -0.018 0.000 1.016 185 E CA -1.676 54.699 56.400 -0.043 0.000 0.830 185 E CB 0.444 30.147 29.700 0.005 0.000 1.081 185 E HN 0.357 nan 8.360 nan 0.000 0.395 186 P HA -0.200 nan 4.420 nan 0.000 0.226 186 P C 0.769 178.085 177.300 0.027 0.000 1.153 186 P CA 1.020 64.129 63.100 0.015 0.000 0.777 186 P CB 0.324 32.037 31.700 0.021 0.000 0.794 187 Q N -0.634 119.184 119.800 0.029 0.000 2.403 187 Q HA 0.078 4.418 4.340 0.000 0.000 0.203 187 Q C 0.402 176.424 176.000 0.036 0.000 0.932 187 Q CA 0.438 56.263 55.803 0.037 0.000 0.945 187 Q CB -0.508 28.254 28.738 0.040 0.000 1.045 187 Q HN 0.085 nan 8.270 nan 0.000 0.511 188 V N 0.458 120.390 119.914 0.030 0.000 2.713 188 V HA 0.830 4.950 4.120 0.000 0.000 0.307 188 V C 0.372 176.493 176.094 0.045 0.000 1.052 188 V CA 0.094 62.412 62.300 0.031 0.000 0.967 188 V CB 1.517 33.349 31.823 0.015 0.000 1.019 188 V HN 0.493 nan 8.190 nan 0.000 0.459 189 G N 1.717 110.550 108.800 0.054 0.000 2.488 189 G HA2 0.384 4.344 3.960 0.000 0.000 0.301 189 G HA3 0.384 4.344 3.960 0.000 0.000 0.301 189 G C -1.731 173.219 174.900 0.084 0.000 1.339 189 G CA -0.798 44.352 45.100 0.084 0.000 0.803 189 G HN 0.488 nan 8.290 nan 0.000 0.482 190 D N 0.244 120.715 120.400 0.118 0.000 2.472 190 D HA 0.373 5.013 4.640 0.000 0.000 0.237 190 D C 1.217 177.558 176.300 0.068 0.000 1.141 190 D CA 0.711 54.769 54.000 0.096 0.000 0.875 190 D CB 1.662 42.540 40.800 0.130 0.000 1.192 190 D HN 0.575 nan 8.370 nan 0.000 0.450 191 A N 2.594 125.439 122.820 0.043 0.000 2.195 191 A HA 0.056 4.377 4.320 0.000 0.000 0.210 191 A C 0.676 178.279 177.584 0.033 0.000 1.165 191 A CA 0.485 52.544 52.037 0.036 0.000 0.806 191 A CB -0.057 18.954 19.000 0.019 0.000 0.847 191 A HN 0.657 nan 8.150 nan 0.000 0.482 192 E N -1.432 118.777 120.200 0.015 0.000 2.410 192 E HA 0.312 4.663 4.350 0.000 0.000 0.269 192 E C 0.371 176.983 176.600 0.019 0.000 0.937 192 E CA -0.894 55.493 56.400 -0.022 0.000 0.793 192 E CB 0.151 29.761 29.700 -0.150 0.000 1.314 192 E HN 0.360 nan 8.360 nan 0.000 0.447 193 W N 0.579 121.937 121.300 0.096 0.000 2.595 193 W HA 0.044 4.704 4.660 0.000 0.000 0.257 193 W C 0.344 176.922 176.519 0.098 0.000 1.267 193 W CA 0.366 57.763 57.345 0.087 0.000 1.300 193 W CB -0.650 28.860 29.460 0.083 0.000 1.120 193 W HN 0.645 nan 8.180 nan 0.000 0.618 199 T N 0.449 115.009 114.554 0.010 0.000 2.652 199 T HA 0.436 4.786 4.350 0.000 0.000 0.345 199 T C 0.226 174.940 174.700 0.023 0.000 1.051 199 T CA 0.990 63.098 62.100 0.013 0.000 1.021 199 T CB 0.041 68.915 68.868 0.010 0.000 1.141 199 T HN 0.284 nan 8.240 nan 0.000 0.518 200 D N -0.599 119.818 120.400 0.029 0.000 2.302 200 D HA 0.488 5.128 4.640 0.000 0.000 0.248 200 D C -0.025 176.309 176.300 0.056 0.000 1.094 200 D CA 0.586 54.614 54.000 0.048 0.000 0.897 200 D CB 0.425 41.252 40.800 0.044 0.000 1.200 200 D HN 0.785 nan 8.370 nan 0.000 0.429 201 E N 2.303 122.567 120.200 0.105 0.000 2.238 201 E HA 0.415 4.765 4.350 0.000 0.000 0.267 201 E C -0.783 175.890 176.600 0.121 0.000 0.887 201 E CA -0.948 55.498 56.400 0.076 0.000 0.769 201 E CB 1.081 30.826 29.700 0.075 0.000 1.187 201 E HN 0.558 nan 8.360 nan 0.000 0.416 202 K N 0.796 121.183 120.400 -0.020 0.000 2.143 202 K HA 0.661 4.981 4.320 0.000 0.000 0.272 202 K C -1.225 175.304 176.600 -0.119 0.000 1.001 202 K CA -0.461 55.852 56.287 0.044 0.000 0.915 202 K CB 1.039 33.568 32.500 0.048 0.000 1.047 202 K HN 0.607 nan 8.250 nan 0.000 0.458 203 Y N -0.757 119.577 120.300 0.056 0.000 2.576 203 Y HA 0.551 5.101 4.550 0.000 0.000 0.346 203 Y C 0.436 176.377 175.900 0.069 0.000 1.018 203 Y CA -0.726 57.401 58.100 0.045 0.000 1.050 203 Y CB 2.619 41.091 38.460 0.020 0.000 1.280 203 Y HN 0.723 nan 8.280 nan 0.000 0.474 204 G N -0.561 108.367 108.800 0.213 0.000 2.658 204 G HA2 0.715 4.675 3.960 0.000 0.000 0.292 204 G HA3 0.715 4.675 3.960 0.000 0.000 0.292 204 G C -0.953 174.028 174.900 0.135 0.000 1.320 204 G CA -0.556 44.653 45.100 0.182 0.000 0.933 204 G HN 0.950 nan 8.290 nan 0.000 0.476 205 G N -1.036 107.841 108.800 0.129 0.000 2.495 205 G HA2 0.579 4.539 3.960 0.000 0.000 0.294 205 G HA3 0.579 4.539 3.960 0.000 0.000 0.294 205 G C -1.220 173.744 174.900 0.108 0.000 1.397 205 G CA -0.973 44.172 45.100 0.074 0.000 0.790 205 G HN 0.629 nan 8.290 nan 0.000 0.486 206 R N -0.777 119.762 120.500 0.065 0.000 2.596 206 R HA 0.813 5.153 4.340 0.000 0.000 0.267 206 R C -0.420 175.926 176.300 0.077 0.000 1.026 206 R CA -0.341 55.809 56.100 0.084 0.000 1.087 206 R CB 1.880 32.203 30.300 0.039 0.000 1.132 206 R HN 0.877 nan 8.270 nan 0.000 0.531 207 A N 1.637 124.507 122.820 0.082 0.000 2.549 207 A HA 0.445 4.765 4.320 0.000 0.000 0.297 207 A C -1.004 176.628 177.584 0.080 0.000 1.061 207 A CA -0.793 51.292 52.037 0.080 0.000 0.690 207 A CB 1.232 20.285 19.000 0.088 0.000 1.287 207 A HN 0.546 nan 8.150 nan 0.000 0.402 208 L N 2.220 123.496 121.223 0.089 0.000 2.331 208 L HA 0.291 4.631 4.340 0.000 0.000 0.278 208 L C 0.647 177.578 176.870 0.101 0.000 1.106 208 L CA -0.322 54.569 54.840 0.085 0.000 0.824 208 L CB 0.793 42.902 42.059 0.084 0.000 1.142 208 L HN 0.727 nan 8.230 nan 0.000 0.443 209 K N 3.714 124.165 120.400 0.085 0.000 2.149 209 K HA 0.107 4.427 4.320 0.000 0.000 0.245 209 K C -1.508 175.158 176.600 0.110 0.000 1.024 209 K CA -1.286 55.054 56.287 0.087 0.000 0.899 209 K CB 0.485 33.024 32.500 0.065 0.000 1.038 209 K HN 0.262 nan 8.250 nan 0.000 0.496 210 P HA -0.140 nan 4.420 nan 0.000 0.218 210 P C -0.343 177.027 177.300 0.116 0.000 1.148 210 P CA 1.354 64.544 63.100 0.150 0.000 0.822 210 P CB 0.162 31.950 31.700 0.147 0.000 0.784 211 D N -2.237 118.215 120.400 0.087 0.000 2.350 211 D HA -0.052 4.588 4.640 0.000 0.000 0.216 211 D C 0.108 176.445 176.300 0.060 0.000 0.968 211 D CA 0.885 54.926 54.000 0.068 0.000 0.894 211 D CB -0.676 40.156 40.800 0.054 0.000 0.909 211 D HN 0.120 nan 8.370 nan 0.000 0.520 212 T N 1.413 116.007 114.554 0.066 0.000 2.811 212 T HA 0.170 4.521 4.350 0.000 0.000 0.309 212 T C 0.066 174.803 174.700 0.062 0.000 1.005 212 T CA -0.696 61.437 62.100 0.055 0.000 0.955 212 T CB 0.716 69.614 68.868 0.050 0.000 0.970 212 T HN -0.043 nan 8.240 nan 0.000 0.496 213 K N 3.584 124.015 120.400 0.050 0.000 2.416 213 K HA 0.199 4.519 4.320 0.000 0.000 0.283 213 K C 0.637 177.261 176.600 0.041 0.000 1.037 213 K CA -0.102 56.213 56.287 0.047 0.000 0.995 213 K CB 0.423 32.943 32.500 0.033 0.000 0.938 213 K HN 0.543 nan 8.250 nan 0.000 0.475 214 M N 3.177 122.802 119.600 0.041 0.000 2.255 214 M HA -0.084 4.396 4.480 0.000 0.000 0.356 214 M C 0.180 176.492 176.300 0.021 0.000 1.338 214 M CA 1.112 56.431 55.300 0.031 0.000 0.962 214 M CB 0.200 32.798 32.600 -0.002 0.000 1.877 214 M HN 0.255 nan 8.290 nan 0.000 0.463 215 K N 4.011 124.431 120.400 0.033 0.000 2.426 215 K HA 0.575 4.895 4.320 0.000 0.000 0.251 215 K C -2.588 174.042 176.600 0.051 0.000 0.941 215 K CA -2.043 54.266 56.287 0.037 0.000 0.808 215 K CB 1.432 33.960 32.500 0.046 0.000 1.265 215 K HN 0.208 nan 8.250 nan 0.000 0.432 216 P HA -0.023 nan 4.420 nan 0.000 0.266 216 P C 1.013 178.381 177.300 0.115 0.000 1.193 216 P CA -0.081 63.068 63.100 0.083 0.000 0.770 216 P CB 0.519 32.280 31.700 0.102 0.000 0.836 217 C N 3.589 122.962 119.300 0.122 0.000 2.398 217 C HA -0.195 4.265 4.460 0.000 0.000 0.276 217 C C 1.437 176.522 174.990 0.159 0.000 1.222 217 C CA 0.503 59.598 59.018 0.128 0.000 1.746 217 C CB -1.619 26.197 27.740 0.126 0.000 2.039 217 C HN 0.547 nan 8.230 nan 0.000 0.470 218 Y N 1.098 121.439 120.300 0.068 0.000 2.745 218 Y HA 0.380 4.931 4.550 0.000 0.000 0.335 218 Y C 1.190 177.149 175.900 0.098 0.000 1.212 218 Y CA 1.266 59.412 58.100 0.077 0.000 1.535 218 Y CB -0.100 38.387 38.460 0.045 0.000 1.220 218 Y HN 0.657 nan 8.280 nan 0.000 0.531 219 G N 2.870 111.561 108.800 -0.182 0.000 2.232 219 G HA2 -0.264 3.696 3.960 0.000 0.000 0.226 219 G HA3 -0.264 3.696 3.960 0.000 0.000 0.226 219 G C 0.219 175.189 174.900 0.116 0.000 0.996 219 G CA 0.027 45.128 45.100 0.002 0.000 0.626 219 G HN 0.681 nan 8.290 nan 0.000 0.509 220 S N 0.717 116.474 115.700 0.096 0.000 2.510 220 S HA 0.597 5.068 4.470 0.000 0.000 0.279 220 S C -0.594 174.019 174.600 0.021 0.000 1.284 220 S CA 0.069 58.303 58.200 0.056 0.000 1.059 220 S CB 0.681 63.914 63.200 0.055 0.000 0.901 220 S HN 0.836 nan 8.310 nan 0.000 0.491 221 F N 2.701 122.486 119.950 -0.274 0.000 2.556 221 F HA 0.710 5.237 4.527 0.000 0.000 0.314 221 F C -0.766 174.899 175.800 -0.225 0.000 1.106 221 F CA -0.786 56.958 58.000 -0.427 0.000 0.911 221 F CB 1.174 39.556 39.000 -1.031 0.000 1.190 221 F HN 0.542 nan 8.300 nan 0.000 0.448 222 A N 5.985 128.172 122.820 -1.056 0.000 2.408 222 A HA 0.546 4.866 4.320 0.000 0.000 0.295 222 A C -1.249 175.651 177.584 -1.140 0.000 1.040 222 A CA -1.012 50.505 52.037 -0.867 0.000 0.707 222 A CB 0.999 19.788 19.000 -0.350 0.000 1.235 222 A HN 0.858 nan 8.150 nan 0.000 0.418 223 K N 3.087 122.950 120.400 -0.894 0.000 2.414 223 K HA 0.370 4.690 4.320 0.000 0.000 0.272 223 K C -2.432 174.042 176.600 -0.209 0.000 0.993 223 K CA -0.876 55.153 56.287 -0.430 0.000 0.964 223 K CB 0.274 32.756 32.500 -0.030 0.000 0.925 223 K HN 0.373 nan 8.250 nan 0.000 0.487 224 P HA -0.007 nan 4.420 nan 0.000 0.275 224 P C -0.101 177.214 177.300 0.025 0.000 1.228 224 P CA -0.301 62.784 63.100 -0.024 0.000 0.786 224 P CB 1.160 32.866 31.700 0.010 0.000 0.927 225 T N -1.956 112.638 114.554 0.067 0.000 3.044 225 T HA 0.175 4.525 4.350 0.000 0.000 0.260 225 T C 0.436 175.244 174.700 0.180 0.000 1.019 225 T CA -0.394 61.784 62.100 0.131 0.000 0.921 225 T CB -0.579 68.410 68.868 0.200 0.000 1.053 225 T HN 0.652 nan 8.240 nan 0.000 0.533 226 N N 0.121 118.890 118.700 0.116 0.000 2.927 226 N HA 0.206 4.946 4.740 0.000 0.000 0.248 226 N C 0.214 175.735 175.510 0.018 0.000 1.443 226 N CA -0.995 52.110 53.050 0.091 0.000 0.870 226 N CB 1.455 40.015 38.487 0.122 0.000 1.444 226 N HN -0.033 nan 8.380 nan 0.000 0.519 227 K N -0.254 120.138 120.400 -0.014 0.000 2.486 227 K HA 0.005 4.325 4.320 0.000 0.000 0.194 227 K C 0.010 176.554 176.600 -0.093 0.000 1.033 227 K CA 1.220 57.484 56.287 -0.039 0.000 1.004 227 K CB -0.092 32.384 32.500 -0.040 0.000 0.798 227 K HN 0.536 nan 8.250 nan 0.000 0.495 228 E N 0.479 120.582 120.200 -0.161 0.000 2.437 228 E HA 0.149 4.499 4.350 0.000 0.000 0.189 228 E C 0.712 177.263 176.600 -0.082 0.000 1.054 228 E CA 0.517 56.758 56.400 -0.265 0.000 0.874 228 E CB 0.477 29.697 29.700 -0.799 0.000 1.011 228 E HN 0.547 nan 8.360 nan 0.000 0.474 229 G N 0.197 108.978 108.800 -0.032 0.000 2.179 229 G HA2 -0.270 3.690 3.960 0.000 0.000 0.260 229 G HA3 -0.270 3.690 3.960 0.000 0.000 0.260 229 G C 0.699 175.604 174.900 0.008 0.000 0.977 229 G CA -0.194 44.908 45.100 0.004 0.000 0.641 229 G HN 0.569 nan 8.290 nan 0.000 0.533 230 G N -0.717 108.090 108.800 0.012 0.000 2.554 230 G HA2 0.434 4.394 3.960 0.000 0.000 0.238 230 G HA3 0.434 4.394 3.960 0.000 0.000 0.238 230 G C 0.547 175.439 174.900 -0.013 0.000 1.259 230 G CA 0.564 45.656 45.100 -0.013 0.000 0.843 230 G HN 0.526 nan 8.290 nan 0.000 0.582 231 Q N 0.178 119.966 119.800 -0.020 0.000 2.189 231 Q HA 0.341 4.681 4.340 0.000 0.000 0.223 231 Q C 1.144 177.161 176.000 0.028 0.000 0.828 231 Q CA -0.219 55.572 55.803 -0.021 0.000 0.967 231 Q CB 1.091 29.780 28.738 -0.080 0.000 1.139 231 Q HN 0.686 nan 8.270 nan 0.000 0.497 232 A N 1.762 124.620 122.820 0.063 0.000 2.546 232 A HA 0.062 4.382 4.320 0.000 0.000 0.243 232 A C -0.044 177.663 177.584 0.205 0.000 1.063 232 A CA -0.379 51.736 52.037 0.130 0.000 0.757 232 A CB 0.110 19.199 19.000 0.147 0.000 0.991 232 A HN 0.213 nan 8.150 nan 0.000 0.503 233 N N 0.961 119.735 118.700 0.123 0.000 2.357 233 N HA 0.098 4.839 4.740 0.000 0.000 0.257 233 N C -0.218 175.341 175.510 0.082 0.000 1.250 233 N CA 0.180 53.280 53.050 0.083 0.000 0.862 233 N CB 0.508 39.025 38.487 0.050 0.000 1.066 233 N HN 0.359 nan 8.380 nan 0.000 0.468 234 V N 3.533 123.447 119.914 -0.000 0.000 2.461 234 V HA 0.069 4.189 4.120 0.000 0.000 0.275 234 V C 0.856 176.897 176.094 -0.089 0.000 1.047 234 V CA -0.510 61.708 62.300 -0.138 0.000 0.955 234 V CB 0.560 32.257 31.823 -0.209 0.000 0.988 234 V HN 0.465 nan 8.190 nan 0.000 0.471 235 K N 3.479 123.819 120.400 -0.100 0.000 2.401 235 K HA 0.415 4.735 4.320 0.000 0.000 0.278 235 K C 0.530 177.093 176.600 -0.061 0.000 1.018 235 K CA 0.151 56.403 56.287 -0.057 0.000 0.981 235 K CB 0.399 32.873 32.500 -0.043 0.000 0.933 235 K HN 0.906 nan 8.250 nan 0.000 0.477 236 T N -0.257 114.276 114.554 -0.036 0.000 2.882 236 T HA 0.388 4.738 4.350 0.000 0.000 0.287 236 T C 1.003 175.687 174.700 -0.026 0.000 1.014 236 T CA -0.040 62.042 62.100 -0.030 0.000 1.049 236 T CB 0.402 69.259 68.868 -0.018 0.000 1.001 236 T HN 0.654 nan 8.240 nan 0.000 0.525 237 G N 0.012 108.798 108.800 -0.024 0.000 2.366 237 G HA2 0.127 4.087 3.960 0.000 0.000 0.299 237 G HA3 0.127 4.087 3.960 0.000 0.000 0.299 237 G C 0.773 175.661 174.900 -0.020 0.000 1.020 237 G CA 1.153 46.242 45.100 -0.018 0.000 1.026 237 G HN 1.667 nan 8.290 nan 0.000 0.512 238 T N -1.747 112.790 114.554 -0.028 0.000 3.037 238 T HA 0.630 4.980 4.350 0.000 0.000 0.251 238 T C 2.654 177.341 174.700 -0.022 0.000 1.079 238 T CA 1.846 63.929 62.100 -0.028 0.000 1.067 238 T CB 0.168 69.007 68.868 -0.048 0.000 0.948 238 T HN 2.386 nan 8.240 nan 0.000 0.496 239 G N -0.333 108.455 108.800 -0.021 0.000 2.498 239 G HA2 0.144 4.105 3.960 0.000 0.000 0.251 239 G HA3 0.144 4.105 3.960 0.000 0.000 0.251 239 G C 1.210 176.100 174.900 -0.017 0.000 1.170 239 G CA 0.854 45.945 45.100 -0.015 0.000 0.944 239 G HN 1.049 nan 8.290 nan 0.000 0.567 240 T N -0.043 114.505 114.554 -0.011 0.000 3.085 240 T HA 0.616 4.966 4.350 0.000 0.000 0.263 240 T C 1.568 176.262 174.700 -0.009 0.000 1.127 240 T CA 2.629 64.724 62.100 -0.009 0.000 1.103 240 T CB -0.565 68.302 68.868 -0.002 0.000 0.921 240 T HN 2.144 nan 8.240 nan 0.000 0.510 241 T N 1.210 115.758 114.554 -0.012 0.000 2.733 241 T HA 0.553 4.903 4.350 0.000 0.000 0.294 241 T C -0.011 174.668 174.700 -0.034 0.000 0.956 241 T CA -0.614 61.481 62.100 -0.008 0.000 0.987 241 T CB 0.059 68.929 68.868 0.004 0.000 0.920 241 T HN 0.328 nan 8.240 nan 0.000 0.470 242 K N 2.647 123.021 120.400 -0.044 0.000 2.383 242 K HA 0.516 4.836 4.320 0.000 0.000 0.286 242 K C 0.225 176.721 176.600 -0.174 0.000 1.051 242 K CA 0.072 56.274 56.287 -0.142 0.000 0.974 242 K CB 0.123 32.536 32.500 -0.144 0.000 0.968 242 K HN 0.809 nan 8.250 nan 0.000 0.475 243 E N 3.724 123.777 120.200 -0.245 0.000 2.238 243 E HA 0.381 4.731 4.350 0.000 0.000 0.267 243 E C -1.680 174.773 176.600 -0.245 0.000 0.887 243 E CA -0.612 55.710 56.400 -0.129 0.000 0.769 243 E CB 0.933 30.610 29.700 -0.038 0.000 1.187 243 E HN 0.548 nan 8.360 nan 0.000 0.416 244 Y N 0.260 120.577 120.300 0.028 0.000 2.524 244 Y HA 0.413 4.963 4.550 0.000 0.000 0.344 244 Y C 0.257 176.172 175.900 0.025 0.000 1.012 244 Y CA -1.177 56.941 58.100 0.028 0.000 1.068 244 Y CB 2.408 40.891 38.460 0.039 0.000 1.249 244 Y HN 0.592 nan 8.280 nan 0.000 0.468 245 D N 2.831 123.346 120.400 0.192 0.000 2.551 245 D HA 0.268 4.909 4.640 0.000 0.000 0.223 245 D C -1.026 175.338 176.300 0.107 0.000 1.144 245 D CA 0.509 54.577 54.000 0.113 0.000 1.025 245 D CB -0.681 40.166 40.800 0.079 0.000 1.085 245 D HN 0.421 nan 8.370 nan 0.000 0.506 246 I N 1.973 122.603 120.570 0.100 0.000 2.534 246 I HA 0.312 4.482 4.170 0.000 0.000 0.288 246 I C -0.515 175.617 176.117 0.024 0.000 1.077 246 I CA -0.764 60.575 61.300 0.067 0.000 1.051 246 I CB 2.208 40.256 38.000 0.079 0.000 1.234 246 I HN -0.071 nan 8.210 nan 0.000 0.425 247 D N 7.251 127.636 120.400 -0.025 0.000 2.780 247 D HA 0.444 5.084 4.640 0.000 0.000 0.242 247 D C -0.633 175.541 176.300 -0.210 0.000 1.135 247 D CA -0.580 53.368 54.000 -0.086 0.000 0.859 247 D CB 2.676 43.442 40.800 -0.057 0.000 1.530 247 D HN 0.325 nan 8.370 nan 0.000 0.493 248 M N 1.323 120.711 119.600 -0.352 0.000 2.228 248 M HA 0.350 4.830 4.480 0.000 0.000 0.351 248 M C 0.102 176.067 176.300 -0.559 0.000 1.233 248 M CA 0.087 54.985 55.300 -0.670 0.000 1.129 248 M CB 0.952 32.982 32.600 -0.950 0.000 1.604 248 M HN 0.327 nan 8.290 nan 0.000 0.457 249 A N 4.165 126.630 122.820 -0.591 0.000 2.318 249 A HA 0.810 5.130 4.320 0.000 0.000 0.317 249 A C -1.259 175.913 177.584 -0.686 0.000 1.159 249 A CA -0.576 51.165 52.037 -0.493 0.000 0.799 249 A CB 0.517 19.370 19.000 -0.245 0.000 1.194 249 A HN 0.714 nan 8.150 nan 0.000 0.479 250 F N 1.008 120.646 119.950 -0.520 0.000 2.458 250 F HA 0.783 5.310 4.527 0.000 0.000 0.330 250 F C -0.411 174.981 175.800 -0.680 0.000 1.082 250 F CA -0.416 57.359 58.000 -0.375 0.000 0.995 250 F CB 1.819 40.692 39.000 -0.212 0.000 1.170 250 F HN 0.464 nan 8.300 nan 0.000 0.478 251 F N 0.603 120.649 119.950 0.159 0.000 2.591 251 F HA 0.406 4.933 4.527 0.000 0.000 0.309 251 F C -0.673 175.169 175.800 0.069 0.000 1.098 251 F CA -0.916 57.126 58.000 0.071 0.000 0.937 251 F CB 1.872 40.888 39.000 0.026 0.000 1.250 251 F HN 0.292 nan 8.300 nan 0.000 0.447 252 D N 0.626 121.155 120.400 0.215 0.000 2.477 252 D HA 0.272 4.912 4.640 0.000 0.000 0.234 252 D C -0.747 175.622 176.300 0.115 0.000 1.048 252 D CA -0.614 53.468 54.000 0.137 0.000 0.959 252 D CB 1.507 42.352 40.800 0.075 0.000 1.408 252 D HN 0.424 nan 8.370 nan 0.000 0.496 253 N N 1.315 120.062 118.700 0.078 0.000 2.293 253 N HA -0.093 4.647 4.740 0.000 0.000 0.253 253 N C 1.084 176.622 175.510 0.046 0.000 1.248 253 N CA 0.295 53.377 53.050 0.053 0.000 0.845 253 N CB 0.890 39.399 38.487 0.037 0.000 1.073 253 N HN 0.424 nan 8.380 nan 0.000 0.464 254 R N 1.610 122.134 120.500 0.040 0.000 2.159 254 R HA -0.141 4.200 4.340 0.000 0.000 0.237 254 R C 1.651 177.964 176.300 0.022 0.000 1.131 254 R CA 1.752 57.871 56.100 0.031 0.000 0.982 254 R CB -0.009 30.307 30.300 0.028 0.000 0.868 254 R HN 0.670 nan 8.270 nan 0.000 0.453 255 S N -0.829 114.884 115.700 0.021 0.000 2.593 255 S HA 0.271 4.742 4.470 0.000 0.000 0.217 255 S C 0.552 175.160 174.600 0.014 0.000 0.966 255 S CA -0.118 58.092 58.200 0.016 0.000 0.914 255 S CB 0.419 63.627 63.200 0.013 0.000 0.776 255 S HN 0.365 nan 8.310 nan 0.000 0.523 256 A N 1.588 124.418 122.820 0.018 0.000 2.445 256 A HA 0.694 5.014 4.320 0.000 0.000 0.242 256 A C 0.716 178.305 177.584 0.009 0.000 1.075 256 A CA -0.083 51.963 52.037 0.015 0.000 0.777 256 A CB -0.275 18.737 19.000 0.021 0.000 1.013 256 A HN 0.881 nan 8.150 nan 0.000 0.493 257 A N 1.315 124.138 122.820 0.006 0.000 2.520 257 A HA 0.471 4.791 4.320 0.000 0.000 0.245 257 A C 1.503 179.085 177.584 -0.002 0.000 1.072 257 A CA 0.323 52.361 52.037 0.001 0.000 0.761 257 A CB -0.266 18.734 19.000 -0.000 0.000 1.004 257 A HN 1.999 nan 8.150 nan 0.000 0.499 258 A N 2.833 125.651 122.820 -0.005 0.000 1.940 258 A HA 0.088 4.409 4.320 0.000 0.000 0.219 258 A C 2.239 179.815 177.584 -0.014 0.000 1.176 258 A CA 2.226 54.257 52.037 -0.010 0.000 0.631 258 A CB -0.749 18.245 19.000 -0.010 0.000 0.814 258 A HN 1.725 nan 8.150 nan 0.000 0.446 259 A N -1.164 121.649 122.820 -0.012 0.000 2.168 259 A HA 0.319 4.639 4.320 0.000 0.000 0.215 259 A C 1.781 179.356 177.584 -0.015 0.000 1.152 259 A CA 1.322 53.350 52.037 -0.014 0.000 0.716 259 A CB -0.536 18.457 19.000 -0.012 0.000 0.794 259 A HN 0.857 nan 8.150 nan 0.000 0.465 260 G N -0.564 108.229 108.800 -0.012 0.000 3.899 260 G HA2 0.449 4.410 3.960 0.000 0.000 0.293 260 G HA3 0.449 4.410 3.960 0.000 0.000 0.293 260 G C 0.128 175.022 174.900 -0.011 0.000 1.054 260 G CA -0.465 44.628 45.100 -0.011 0.000 0.846 260 G HN 0.304 nan 8.290 nan 0.000 0.525 261 L N 1.333 122.546 121.223 -0.016 0.000 2.525 261 L HA 0.394 4.734 4.340 0.000 0.000 0.278 261 L C 0.544 177.399 176.870 -0.025 0.000 1.218 261 L CA 0.228 55.057 54.840 -0.017 0.000 0.878 261 L CB 0.692 42.736 42.059 -0.026 0.000 1.127 261 L HN 0.224 nan 8.230 nan 0.000 0.492 262 A N 5.034 127.848 122.820 -0.010 0.000 2.594 262 A HA 0.712 5.032 4.320 0.000 0.000 0.296 262 A C -2.778 174.822 177.584 0.025 0.000 1.061 262 A CA -1.241 50.786 52.037 -0.016 0.000 0.689 262 A CB 1.548 20.543 19.000 -0.009 0.000 1.280 262 A HN 0.403 nan 8.150 nan 0.000 0.406 263 P HA 0.252 nan 4.420 nan 0.000 0.271 263 P C 0.075 177.467 177.300 0.154 0.000 1.226 263 P CA 0.307 63.493 63.100 0.143 0.000 0.765 263 P CB 0.964 32.816 31.700 0.254 0.000 0.835 264 E N 2.104 122.407 120.200 0.172 0.000 2.251 264 E HA 0.179 4.529 4.350 0.000 0.000 0.194 264 E C 0.675 177.395 176.600 0.201 0.000 0.964 264 E CA 0.664 57.160 56.400 0.161 0.000 0.868 264 E CB 0.424 30.202 29.700 0.131 0.000 0.828 264 E HN 0.486 nan 8.360 nan 0.000 0.481 265 I N 0.685 121.401 120.570 0.244 0.000 2.582 265 I HA 0.248 4.418 4.170 0.000 0.000 0.292 265 I C -0.961 175.343 176.117 0.313 0.000 1.066 265 I CA -0.920 60.530 61.300 0.249 0.000 1.053 265 I CB 3.013 41.105 38.000 0.154 0.000 1.241 265 I HN -0.280 nan 8.210 nan 0.000 0.421 266 V N 7.481 127.526 119.914 0.219 0.000 2.540 266 V HA 0.575 4.695 4.120 0.000 0.000 0.302 266 V C -0.959 175.186 176.094 0.085 0.000 1.035 266 V CA -0.379 61.939 62.300 0.031 0.000 0.873 266 V CB 1.987 33.715 31.823 -0.157 0.000 0.992 266 V HN 0.514 nan 8.190 nan 0.000 0.428 267 L N 6.607 127.854 121.223 0.042 0.000 2.317 267 L HA 0.534 4.874 4.340 0.000 0.000 0.281 267 L C -1.329 175.514 176.870 -0.044 0.000 1.024 267 L CA -0.737 54.167 54.840 0.106 0.000 0.810 267 L CB 1.890 44.047 42.059 0.163 0.000 1.240 267 L HN 0.604 nan 8.230 nan 0.000 0.427 268 Y N 1.224 121.482 120.300 -0.069 0.000 2.594 268 Y HA 0.187 4.737 4.550 0.000 0.000 0.342 268 Y C 0.888 176.762 175.900 -0.042 0.000 1.010 268 Y CA -0.838 57.212 58.100 -0.083 0.000 1.270 268 Y CB 0.780 39.191 38.460 -0.082 0.000 1.125 268 Y HN 0.468 nan 8.280 nan 0.000 0.513 269 T N 0.888 115.450 114.554 0.014 0.000 2.889 269 T HA 0.644 4.995 4.350 0.000 0.000 0.291 269 T C -0.380 174.345 174.700 0.043 0.000 0.995 269 T CA -0.768 61.354 62.100 0.037 0.000 1.092 269 T CB 1.340 70.219 68.868 0.017 0.000 0.954 269 T HN 0.683 nan 8.240 nan 0.000 0.506 270 E N 1.867 122.099 120.200 0.054 0.000 2.412 270 E HA 0.384 4.734 4.350 0.000 0.000 0.279 270 E C -1.382 175.250 176.600 0.054 0.000 0.984 270 E CA -1.209 55.224 56.400 0.055 0.000 0.788 270 E CB 1.223 30.956 29.700 0.056 0.000 1.277 270 E HN 0.443 nan 8.360 nan 0.000 0.455 271 N N 0.603 119.336 118.700 0.055 0.000 2.487 271 N HA 0.496 5.236 4.740 0.000 0.000 0.292 271 N C -0.497 175.038 175.510 0.041 0.000 1.108 271 N CA -0.278 52.801 53.050 0.048 0.000 0.956 271 N CB 2.038 40.553 38.487 0.047 0.000 1.176 271 N HN 0.506 nan 8.380 nan 0.000 0.484 272 V N -1.395 118.534 119.914 0.024 0.000 3.160 272 V HA 0.481 4.602 4.120 0.000 0.000 0.310 272 V C -0.619 175.467 176.094 -0.013 0.000 1.181 272 V CA -1.000 61.300 62.300 0.000 0.000 1.047 272 V CB 2.107 33.914 31.823 -0.027 0.000 1.068 272 V HN 0.428 nan 8.190 nan 0.000 0.441 273 D N 2.158 122.535 120.400 -0.039 0.000 2.522 273 D HA 0.295 4.935 4.640 0.000 0.000 0.218 273 D C -0.432 175.832 176.300 -0.059 0.000 1.149 273 D CA -0.139 53.842 54.000 -0.033 0.000 0.981 273 D CB 0.261 41.049 40.800 -0.021 0.000 1.041 273 D HN 0.643 nan 8.370 nan 0.000 0.518 274 L N 3.029 124.231 121.223 -0.035 0.000 2.360 274 L HA 0.332 4.673 4.340 0.000 0.000 0.276 274 L C -0.113 176.756 176.870 -0.003 0.000 1.121 274 L CA 0.414 55.231 54.840 -0.037 0.000 0.845 274 L CB 0.459 42.514 42.059 -0.008 0.000 1.143 274 L HN 0.273 nan 8.230 nan 0.000 0.452 275 E N 1.923 122.129 120.200 0.010 0.000 2.416 275 E HA 0.590 4.940 4.350 0.000 0.000 0.273 275 E C -0.951 175.679 176.600 0.049 0.000 0.935 275 E CA -0.692 55.740 56.400 0.054 0.000 0.784 275 E CB 1.809 31.577 29.700 0.114 0.000 1.301 275 E HN 0.536 nan 8.360 nan 0.000 0.454 276 T N -1.820 112.768 114.554 0.057 0.000 3.410 276 T HA 0.292 4.642 4.350 0.000 0.000 0.328 276 T C -2.472 172.276 174.700 0.081 0.000 1.567 276 T CA -1.558 60.584 62.100 0.071 0.000 1.626 276 T CB 0.647 69.565 68.868 0.084 0.000 0.939 276 T HN 0.078 nan 8.240 nan 0.000 0.656 277 P HA 0.009 nan 4.420 nan 0.000 0.222 277 P C 0.717 178.063 177.300 0.077 0.000 1.147 277 P CA 1.101 64.238 63.100 0.062 0.000 0.790 277 P CB 0.118 31.845 31.700 0.045 0.000 0.780 278 D N -3.106 117.374 120.400 0.134 0.000 2.562 278 D HA 0.041 4.682 4.640 0.000 0.000 0.246 278 D C -0.126 176.246 176.300 0.120 0.000 1.347 278 D CA -0.127 53.926 54.000 0.089 0.000 0.800 278 D CB -0.496 40.368 40.800 0.107 0.000 1.111 278 D HN 0.086 nan 8.370 nan 0.000 0.508 279 T N -2.385 112.264 114.554 0.158 0.000 2.883 279 T HA 0.637 4.987 4.350 0.000 0.000 0.296 279 T C -0.559 174.269 174.700 0.213 0.000 1.117 279 T CA -0.826 61.389 62.100 0.191 0.000 1.006 279 T CB 2.531 71.509 68.868 0.184 0.000 1.191 279 T HN 0.306 nan 8.240 nan 0.000 0.508 280 H N -0.121 118.991 119.070 0.070 0.000 2.949 280 H HA 0.583 5.140 4.556 0.000 0.000 0.356 280 H C -1.246 174.102 175.328 0.033 0.000 1.212 280 H CA -1.447 54.622 56.048 0.036 0.000 1.136 280 H CB 0.819 30.582 29.762 0.001 0.000 1.869 280 H HN 0.487 nan 8.280 nan 0.000 0.556 281 I N 2.272 122.841 120.570 -0.002 0.000 2.352 281 I HA -0.014 4.156 4.170 0.000 0.000 0.290 281 I C 1.257 177.335 176.117 -0.064 0.000 1.036 281 I CA -0.182 61.087 61.300 -0.052 0.000 1.336 281 I CB 1.320 39.310 38.000 -0.017 0.000 1.407 281 I HN 0.573 nan 8.210 nan 0.000 0.497 282 V N 8.538 128.390 119.914 -0.105 0.000 3.661 282 V HA 0.172 4.292 4.120 0.000 0.000 0.271 282 V C -0.637 175.491 176.094 0.056 0.000 1.315 282 V CA 0.347 62.616 62.300 -0.051 0.000 1.072 282 V CB 0.052 31.802 31.823 -0.122 0.000 0.830 282 V HN 0.692 nan 8.190 nan 0.000 0.443 283 Y N 1.980 122.239 120.300 -0.067 0.000 2.399 283 Y HA 0.567 5.118 4.550 0.000 0.000 0.327 283 Y C -0.728 175.141 175.900 -0.051 0.000 1.111 283 Y CA -1.246 56.825 58.100 -0.049 0.000 1.047 283 Y CB 1.140 39.569 38.460 -0.053 0.000 1.259 283 Y HN 0.295 nan 8.280 nan 0.000 0.434 284 K N 3.274 123.162 120.400 -0.854 0.000 2.512 284 K HA 0.864 5.184 4.320 0.000 0.000 0.263 284 K C -0.696 175.349 176.600 -0.925 0.000 0.966 284 K CA -0.512 55.374 56.287 -0.669 0.000 0.851 284 K CB 1.896 34.226 32.500 -0.284 0.000 1.395 284 K HN 0.509 nan 8.250 nan 0.000 0.440 285 A N 1.188 123.724 122.820 -0.474 0.000 2.014 285 A HA 0.213 4.533 4.320 0.000 0.000 0.218 285 A C 0.892 178.352 177.584 -0.207 0.000 1.163 285 A CA 1.657 53.530 52.037 -0.273 0.000 0.652 285 A CB -0.530 18.443 19.000 -0.045 0.000 0.808 285 A HN 0.872 nan 8.150 nan 0.000 0.449 286 G N -2.587 106.097 108.800 -0.194 0.000 2.947 286 G HA2 0.376 4.336 3.960 0.000 0.000 0.293 286 G HA3 0.376 4.336 3.960 0.000 0.000 0.293 286 G C 0.623 175.453 174.900 -0.116 0.000 1.243 286 G CA 0.710 45.736 45.100 -0.123 0.000 0.802 286 G HN 0.357 nan 8.290 nan 0.000 0.560 287 T N -2.031 112.478 114.554 -0.075 0.000 3.067 287 T HA 0.094 4.444 4.350 0.000 0.000 0.261 287 T C 0.675 175.343 174.700 -0.053 0.000 1.110 287 T CA 0.979 63.044 62.100 -0.059 0.000 1.113 287 T CB -0.054 68.792 68.868 -0.037 0.000 0.917 287 T HN 0.392 nan 8.240 nan 0.000 0.499 288 D N 1.327 121.695 120.400 -0.054 0.000 2.424 288 D HA 0.116 4.757 4.640 0.000 0.000 0.244 288 D C 0.537 176.805 176.300 -0.052 0.000 1.134 288 D CA -0.026 53.948 54.000 -0.043 0.000 0.881 288 D CB 0.798 41.576 40.800 -0.037 0.000 1.191 288 D HN -0.040 nan 8.370 nan 0.000 0.445 289 D N 1.191 121.572 120.400 -0.032 0.000 2.388 289 D HA 0.054 4.694 4.640 0.000 0.000 0.208 289 D C 0.000 176.290 176.300 -0.017 0.000 1.035 289 D CA 0.186 54.171 54.000 -0.025 0.000 0.875 289 D CB 0.300 41.095 40.800 -0.008 0.000 0.984 289 D HN 0.309 nan 8.370 nan 0.000 0.508 290 S N -0.033 115.662 115.700 -0.008 0.000 2.569 290 S HA 0.104 4.574 4.470 0.000 0.000 0.274 290 S C 0.348 174.946 174.600 -0.004 0.000 1.353 290 S CA -0.320 57.887 58.200 0.013 0.000 1.023 290 S CB 0.918 64.137 63.200 0.031 0.000 0.876 290 S HN 0.052 nan 8.310 nan 0.000 0.540 291 S N 2.284 118.008 115.700 0.040 0.000 2.546 291 S HA 0.375 4.846 4.470 0.000 0.000 0.290 291 S C 0.370 174.969 174.600 -0.002 0.000 1.290 291 S CA -0.359 57.870 58.200 0.049 0.000 1.069 291 S CB -0.150 63.157 63.200 0.179 0.000 0.846 291 S HN 0.853 nan 8.310 nan 0.000 0.495 292 S N 1.115 116.638 115.700 -0.294 0.000 2.615 292 S HA 0.433 4.904 4.470 0.000 0.000 0.268 292 S C 0.686 174.543 174.600 -1.239 0.000 1.146 292 S CA -0.388 57.426 58.200 -0.643 0.000 0.818 292 S CB 1.030 64.036 63.200 -0.323 0.000 1.111 292 S HN 0.378 nan 8.310 nan 0.000 0.465 293 S N -0.098 114.707 115.700 -1.493 0.000 2.353 293 S HA -0.127 4.344 4.470 0.000 0.000 0.222 293 S C 1.721 175.908 174.600 -0.688 0.000 1.035 293 S CA 1.755 59.221 58.200 -1.222 0.000 1.025 293 S CB -0.779 62.036 63.200 -0.642 0.000 0.902 293 S HN 0.712 nan 8.310 nan 0.000 0.440 294 I N 2.631 122.918 120.570 -0.471 0.000 2.361 294 I HA -0.084 4.086 4.170 0.000 0.000 0.251 294 I C 1.390 177.349 176.117 -0.265 0.000 1.133 294 I CA 1.363 62.486 61.300 -0.294 0.000 1.413 294 I CB -0.490 37.390 38.000 -0.200 0.000 1.073 294 I HN 0.236 nan 8.210 nan 0.000 0.424 295 N N 0.192 118.709 118.700 -0.306 0.000 2.571 295 N HA 0.002 4.742 4.740 0.000 0.000 0.189 295 N C 1.673 177.047 175.510 -0.226 0.000 1.154 295 N CA 0.516 53.433 53.050 -0.222 0.000 0.907 295 N CB -0.240 38.138 38.487 -0.182 0.000 0.977 295 N HN 0.407 nan 8.380 nan 0.000 0.449 296 L N -0.767 120.257 121.223 -0.331 0.000 2.275 296 L HA -0.020 4.320 4.340 0.000 0.000 0.215 296 L C 1.763 178.512 176.870 -0.202 0.000 1.119 296 L CA 0.887 55.546 54.840 -0.301 0.000 0.790 296 L CB -0.114 41.661 42.059 -0.474 0.000 0.919 296 L HN 0.157 nan 8.230 nan 0.000 0.443 297 G N -1.421 107.281 108.800 -0.164 0.000 3.502 297 G HA2 0.120 4.080 3.960 0.000 0.000 0.267 297 G HA3 0.120 4.080 3.960 0.000 0.000 0.267 297 G C 0.326 175.225 174.900 -0.001 0.000 1.090 297 G CA -0.411 44.634 45.100 -0.092 0.000 0.795 297 G HN 0.217 nan 8.290 nan 0.000 0.535 298 Q N 0.338 120.135 119.800 -0.006 0.000 2.369 298 Q HA 0.177 4.517 4.340 0.000 0.000 0.295 298 Q C -0.248 175.775 176.000 0.038 0.000 1.075 298 Q CA 0.761 56.584 55.803 0.034 0.000 0.941 298 Q CB 0.527 29.254 28.738 -0.017 0.000 1.260 298 Q HN 0.394 nan 8.270 nan 0.000 0.417 299 Q N 0.261 120.098 119.800 0.063 0.000 2.337 299 Q HA 0.667 5.007 4.340 0.000 0.000 0.266 299 Q C -1.328 174.655 176.000 -0.029 0.000 1.023 299 Q CA -0.632 55.177 55.803 0.010 0.000 0.829 299 Q CB 2.111 30.855 28.738 0.011 0.000 1.306 299 Q HN 0.660 nan 8.270 nan 0.000 0.449 300 A N 2.593 125.382 122.820 -0.051 0.000 2.320 300 A HA 0.845 5.166 4.320 0.000 0.000 0.334 300 A C -1.015 176.471 177.584 -0.164 0.000 1.147 300 A CA -0.594 51.412 52.037 -0.052 0.000 0.820 300 A CB 1.256 20.345 19.000 0.147 0.000 1.218 300 A HN 0.785 nan 8.150 nan 0.000 0.482 301 M N 2.757 122.215 119.600 -0.236 0.000 2.446 301 M HA 0.483 4.963 4.480 0.000 0.000 0.294 301 M C -2.756 173.510 176.300 -0.057 0.000 1.158 301 M CA -2.243 52.924 55.300 -0.220 0.000 0.899 301 M CB 2.986 35.398 32.600 -0.314 0.000 1.687 301 M HN 0.462 nan 8.290 nan 0.000 0.455 302 P HA 0.108 nan 4.420 nan 0.000 0.271 302 P C -1.322 176.083 177.300 0.176 0.000 1.218 302 P CA -0.181 63.046 63.100 0.212 0.000 0.780 302 P CB 0.340 32.180 31.700 0.233 0.000 0.901 303 N N 2.280 121.083 118.700 0.172 0.000 2.479 303 N HA 0.083 4.823 4.740 0.000 0.000 0.257 303 N C 0.590 176.086 175.510 -0.024 0.000 1.232 303 N CA 0.016 53.143 53.050 0.128 0.000 0.920 303 N CB 0.095 38.658 38.487 0.126 0.000 1.105 303 N HN 0.283 nan 8.380 nan 0.000 0.444 304 R N 1.853 122.290 120.500 -0.105 0.000 2.585 304 R HA 0.062 4.402 4.340 0.000 0.000 0.275 304 R C -1.869 174.331 176.300 -0.167 0.000 1.018 304 R CA -0.763 55.215 56.100 -0.203 0.000 1.072 304 R CB -0.155 29.941 30.300 -0.339 0.000 0.953 304 R HN 0.426 nan 8.270 nan 0.000 0.419 305 P HA -0.015 nan 4.420 nan 0.000 0.269 305 P C -0.839 176.306 177.300 -0.259 0.000 1.215 305 P CA -0.019 62.843 63.100 -0.397 0.000 0.780 305 P CB 0.592 32.024 31.700 -0.446 0.000 0.898 306 N N 1.591 120.067 118.700 -0.373 0.000 2.793 306 N HA 0.174 4.914 4.740 0.000 0.000 0.251 306 N C -1.560 173.831 175.510 -0.198 0.000 1.308 306 N CA -0.385 52.570 53.050 -0.160 0.000 0.781 306 N CB -0.100 38.357 38.487 -0.050 0.000 1.439 306 N HN 0.131 nan 8.380 nan 0.000 0.562 307 Y N 1.989 122.327 120.300 0.062 0.000 2.497 307 Y HA 0.357 4.907 4.550 0.000 0.000 0.334 307 Y C 0.770 176.784 175.900 0.190 0.000 1.199 307 Y CA 0.271 58.467 58.100 0.161 0.000 1.425 307 Y CB 0.720 39.263 38.460 0.138 0.000 1.291 307 Y HN 0.299 nan 8.280 nan 0.000 0.562 308 I N 2.329 123.154 120.570 0.426 0.000 2.534 308 I HA 0.617 4.787 4.170 0.000 0.000 0.288 308 I C 0.132 176.199 176.117 -0.082 0.000 1.077 308 I CA -0.411 60.946 61.300 0.094 0.000 1.051 308 I CB 2.051 40.027 38.000 -0.039 0.000 1.234 308 I HN 0.735 nan 8.210 nan 0.000 0.425 309 G N 4.158 112.889 108.800 -0.115 0.000 2.727 309 G HA2 0.670 4.630 3.960 0.000 0.000 0.289 309 G HA3 0.670 4.630 3.960 0.000 0.000 0.289 309 G C -1.169 173.595 174.900 -0.227 0.000 1.418 309 G CA -0.611 44.369 45.100 -0.199 0.000 0.818 309 G HN 0.217 nan 8.290 nan 0.000 0.486 310 F N 0.502 120.439 119.950 -0.022 0.000 2.485 310 F HA 0.403 4.930 4.527 0.000 0.000 0.327 310 F C 1.707 177.506 175.800 -0.001 0.000 1.203 310 F CA -0.002 58.026 58.000 0.046 0.000 1.295 310 F CB 0.580 39.723 39.000 0.238 0.000 1.191 310 F HN 0.115 nan 8.300 nan 0.000 0.588 311 R N 0.441 121.091 120.500 0.251 0.000 2.679 311 R HA 0.038 4.378 4.340 0.000 0.000 0.269 311 R C -0.576 175.728 176.300 0.007 0.000 1.076 311 R CA -0.701 55.470 56.100 0.119 0.000 1.160 311 R CB 0.148 30.541 30.300 0.155 0.000 1.054 311 R HN 0.528 nan 8.270 nan 0.000 0.507 312 D N 1.393 121.786 120.400 -0.011 0.000 2.658 312 D HA -0.138 4.503 4.640 0.000 0.000 0.230 312 D C -0.215 176.071 176.300 -0.023 0.000 1.118 312 D CA 1.157 55.130 54.000 -0.044 0.000 0.848 312 D CB -0.003 40.793 40.800 -0.007 0.000 1.160 312 D HN 0.615 nan 8.370 nan 0.000 0.497 313 N N 2.637 121.289 118.700 -0.080 0.000 2.714 313 N HA -0.291 4.450 4.740 0.000 0.000 0.250 313 N C -0.125 175.459 175.510 0.123 0.000 1.117 313 N CA 0.510 53.580 53.050 0.033 0.000 0.719 313 N CB -1.620 36.962 38.487 0.157 0.000 1.081 313 N HN 0.538 nan 8.380 nan 0.000 0.557 314 F N -1.932 118.086 119.950 0.115 0.000 3.079 314 F HA -0.281 4.246 4.527 0.000 0.000 0.274 314 F C 0.574 176.435 175.800 0.102 0.000 0.940 314 F CA 0.107 58.163 58.000 0.093 0.000 0.932 314 F CB -1.571 37.456 39.000 0.045 0.000 0.891 314 F HN 0.199 nan 8.300 nan 0.000 0.722 315 I N 0.759 121.469 120.570 0.233 0.000 2.845 315 I HA 0.069 4.239 4.170 0.000 0.000 0.296 315 I C 1.574 177.812 176.117 0.202 0.000 1.216 315 I CA 1.676 63.096 61.300 0.199 0.000 1.438 315 I CB 0.190 38.278 38.000 0.146 0.000 1.342 315 I HN 0.552 nan 8.210 nan 0.000 0.577 316 G N 4.240 113.142 108.800 0.170 0.000 2.299 316 G HA2 -0.293 3.667 3.960 0.000 0.000 0.237 316 G HA3 -0.293 3.667 3.960 0.000 0.000 0.237 316 G C 0.827 175.765 174.900 0.063 0.000 1.027 316 G CA 0.333 45.500 45.100 0.112 0.000 0.619 316 G HN 0.553 nan 8.290 nan 0.000 0.513 317 L N 0.164 121.461 121.223 0.123 0.000 2.056 317 L HA 0.265 4.605 4.340 0.000 0.000 0.207 317 L C 1.778 178.632 176.870 -0.027 0.000 1.078 317 L CA 1.175 56.088 54.840 0.122 0.000 0.749 317 L CB -0.148 41.999 42.059 0.147 0.000 0.901 317 L HN 0.378 nan 8.230 nan 0.000 0.433 318 M N -1.577 117.905 119.600 -0.196 0.000 2.300 318 M HA 0.225 4.705 4.480 0.000 0.000 0.348 318 M C -1.074 174.964 176.300 -0.436 0.000 1.151 318 M CA -0.500 54.506 55.300 -0.490 0.000 1.046 318 M CB 1.407 33.552 32.600 -0.759 0.000 1.647 318 M HN -0.181 nan 8.290 nan 0.000 0.451 319 Y N 2.444 122.566 120.300 -0.296 0.000 2.526 319 Y HA 0.164 4.714 4.550 0.000 0.000 0.330 319 Y C -0.803 174.945 175.900 -0.253 0.000 1.156 319 Y CA 0.779 58.761 58.100 -0.196 0.000 1.419 319 Y CB 0.183 38.537 38.460 -0.177 0.000 1.250 319 Y HN 0.446 nan 8.280 nan 0.000 0.540 320 Y N 0.163 120.624 120.300 0.268 0.000 2.553 320 Y HA 0.229 4.779 4.550 0.000 0.000 0.347 320 Y C 0.098 176.106 175.900 0.180 0.000 1.019 320 Y CA -2.011 56.230 58.100 0.234 0.000 1.032 320 Y CB 1.681 40.301 38.460 0.267 0.000 1.284 320 Y HN 0.672 nan 8.280 nan 0.000 0.466 321 N N 0.155 119.052 118.700 0.328 0.000 2.721 321 N HA -0.213 4.527 4.740 0.000 0.000 0.249 321 N C -0.859 174.748 175.510 0.162 0.000 1.072 321 N CA 0.823 54.015 53.050 0.237 0.000 0.710 321 N CB -0.774 37.875 38.487 0.271 0.000 0.993 321 N HN 0.315 nan 8.380 nan 0.000 0.547 322 S N -0.907 114.862 115.700 0.115 0.000 2.721 322 S HA 0.314 4.784 4.470 0.000 0.000 0.264 322 S C 1.260 175.855 174.600 -0.009 0.000 1.161 322 S CA -0.203 58.053 58.200 0.094 0.000 1.113 322 S CB 0.740 64.078 63.200 0.230 0.000 1.079 322 S HN 0.307 nan 8.310 nan 0.000 0.479 323 T N 2.037 116.579 114.554 -0.020 0.000 2.665 323 T HA -0.105 4.245 4.350 0.000 0.000 0.268 323 T C 1.810 176.448 174.700 -0.103 0.000 1.035 323 T CA 1.582 63.648 62.100 -0.057 0.000 1.151 323 T CB -0.676 68.168 68.868 -0.040 0.000 0.862 323 T HN 0.661 nan 8.240 nan 0.000 0.438 324 G N 0.805 109.537 108.800 -0.114 0.000 2.985 324 G HA2 0.158 4.118 3.960 0.000 0.000 0.209 324 G HA3 0.158 4.118 3.960 0.000 0.000 0.209 324 G C 0.512 175.279 174.900 -0.220 0.000 1.165 324 G CA -0.363 44.654 45.100 -0.139 0.000 0.776 324 G HN 0.573 nan 8.290 nan 0.000 0.541 325 N N 0.003 118.520 118.700 -0.305 0.000 2.610 325 N HA 0.290 5.030 4.740 0.000 0.000 0.307 325 N C -0.469 174.763 175.510 -0.463 0.000 1.813 325 N CA -0.240 52.522 53.050 -0.480 0.000 0.901 325 N CB 0.957 38.850 38.487 -0.989 0.000 1.354 325 N HN 0.138 nan 8.380 nan 0.000 0.491 326 M N 0.918 120.275 119.600 -0.405 0.000 2.211 326 M HA 0.384 4.864 4.480 0.000 0.000 0.356 326 M C 0.689 176.547 176.300 -0.736 0.000 1.216 326 M CA -0.422 54.584 55.300 -0.490 0.000 1.134 326 M CB 0.607 33.002 32.600 -0.342 0.000 1.564 326 M HN 0.315 nan 8.290 nan 0.000 0.463 327 G N 3.053 111.090 108.800 -1.270 0.000 2.636 327 G HA2 0.454 4.414 3.960 0.000 0.000 0.246 327 G HA3 0.454 4.414 3.960 0.000 0.000 0.246 327 G C -1.125 173.352 174.900 -0.705 0.000 1.216 327 G CA -0.579 43.488 45.100 -1.723 0.000 0.854 327 G HN 0.630 nan 8.290 nan 0.000 0.572 328 V N 1.150 120.905 119.914 -0.265 0.000 2.638 328 V HA 0.517 4.637 4.120 0.000 0.000 0.306 328 V C -0.816 175.470 176.094 0.321 0.000 1.052 328 V CA -0.685 61.628 62.300 0.021 0.000 0.885 328 V CB 1.645 33.470 31.823 0.005 0.000 0.999 328 V HN 0.667 nan 8.190 nan 0.000 0.424 329 L N 4.578 125.951 121.223 0.251 0.000 2.446 329 L HA 0.955 5.295 4.340 0.000 0.000 0.268 329 L C -0.335 176.631 176.870 0.159 0.000 0.975 329 L CA -0.167 54.806 54.840 0.220 0.000 0.848 329 L CB 1.328 43.441 42.059 0.090 0.000 1.225 329 L HN 0.849 nan 8.230 nan 0.000 0.410 330 A N 3.146 126.081 122.820 0.192 0.000 2.475 330 A HA 0.838 5.159 4.320 0.000 0.000 0.301 330 A C -0.109 177.628 177.584 0.254 0.000 1.059 330 A CA -0.205 51.939 52.037 0.178 0.000 0.710 330 A CB 1.295 20.368 19.000 0.122 0.000 1.288 330 A HN 0.925 nan 8.150 nan 0.000 0.408 331 G N -0.263 108.677 108.800 0.232 0.000 2.441 331 G HA2 0.365 4.325 3.960 0.000 0.000 0.243 331 G HA3 0.365 4.325 3.960 0.000 0.000 0.243 331 G C 0.427 175.349 174.900 0.036 0.000 1.281 331 G CA 0.079 45.272 45.100 0.155 0.000 0.854 331 G HN 0.898 nan 8.290 nan 0.000 0.560 332 Q N 1.557 121.314 119.800 -0.072 0.000 2.297 332 Q HA 0.005 4.346 4.340 0.000 0.000 0.204 332 Q C 2.589 178.571 176.000 -0.030 0.000 0.962 332 Q CA 1.500 57.278 55.803 -0.042 0.000 0.879 332 Q CB -0.062 28.632 28.738 -0.074 0.000 0.947 332 Q HN 0.716 nan 8.270 nan 0.000 0.462 333 A N -0.386 122.411 122.820 -0.039 0.000 1.845 333 A HA -0.182 4.138 4.320 0.000 0.000 0.215 333 A C 2.079 179.666 177.584 0.005 0.000 1.195 333 A CA 1.811 53.837 52.037 -0.018 0.000 0.616 333 A CB -0.986 18.004 19.000 -0.018 0.000 0.832 333 A HN 0.402 nan 8.150 nan 0.000 0.443 334 S N -3.074 112.640 115.700 0.023 0.000 2.288 334 S HA 0.294 4.764 4.470 0.000 0.000 0.198 334 S C 1.576 176.196 174.600 0.033 0.000 1.021 334 S CA 3.227 61.447 58.200 0.033 0.000 0.973 334 S CB -0.023 63.208 63.200 0.051 0.000 0.946 334 S HN 1.771 nan 8.310 nan 0.000 0.470 335 Q N -1.575 118.253 119.800 0.047 0.000 4.236 335 Q HA -0.070 4.270 4.340 0.000 0.000 0.216 335 Q C 0.374 176.401 176.000 0.046 0.000 0.693 335 Q CA 0.838 56.666 55.803 0.041 0.000 1.109 335 Q CB -2.560 26.193 28.738 0.024 0.000 0.670 335 Q HN 0.903 nan 8.270 nan 0.000 1.144 336 L N 3.060 124.316 121.223 0.056 0.000 2.534 336 L HA 0.540 4.880 4.340 0.000 0.000 0.271 336 L C 0.144 177.062 176.870 0.080 0.000 1.178 336 L CA 0.198 55.076 54.840 0.063 0.000 0.907 336 L CB 0.831 42.934 42.059 0.073 0.000 1.164 336 L HN 0.497 nan 8.230 nan 0.000 0.482 337 N N 4.024 122.764 118.700 0.067 0.000 2.458 337 N HA 0.214 4.954 4.740 0.000 0.000 0.270 337 N C 0.606 176.186 175.510 0.117 0.000 1.102 337 N CA 0.524 53.618 53.050 0.073 0.000 0.967 337 N CB 1.731 40.231 38.487 0.022 0.000 1.078 337 N HN 0.811 nan 8.380 nan 0.000 0.471 338 A N 3.454 126.362 122.820 0.147 0.000 2.167 338 A HA 0.079 4.399 4.320 0.000 0.000 0.214 338 A C 0.514 178.289 177.584 0.319 0.000 1.151 338 A CA 0.311 52.473 52.037 0.208 0.000 0.735 338 A CB 0.068 19.155 19.000 0.146 0.000 0.802 338 A HN 0.444 nan 8.150 nan 0.000 0.467 339 V N 1.150 121.196 119.914 0.220 0.000 2.432 339 V HA 0.317 4.438 4.120 0.000 0.000 0.271 339 V C -0.495 175.604 176.094 0.008 0.000 1.046 339 V CA -0.166 62.246 62.300 0.186 0.000 0.945 339 V CB 1.154 32.962 31.823 -0.026 0.000 0.992 339 V HN 0.087 nan 8.190 nan 0.000 0.471 340 V N 4.606 124.449 119.914 -0.118 0.000 2.409 340 V HA 0.459 4.579 4.120 0.000 0.000 0.290 340 V C -0.454 175.487 176.094 -0.256 0.000 1.017 340 V CA -0.490 61.596 62.300 -0.357 0.000 0.841 340 V CB 1.739 33.144 31.823 -0.697 0.000 1.003 340 V HN 0.847 nan 8.190 nan 0.000 0.426 341 D N 3.541 123.853 120.400 -0.146 0.000 2.340 341 D HA 0.730 5.370 4.640 0.000 0.000 0.243 341 D C -0.957 175.370 176.300 0.046 0.000 0.988 341 D CA -0.310 53.697 54.000 0.012 0.000 0.959 341 D CB 2.175 42.908 40.800 -0.111 0.000 1.226 341 D HN 0.348 nan 8.370 nan 0.000 0.509 342 L N 2.200 123.507 121.223 0.141 0.000 2.408 342 L HA 0.278 4.618 4.340 0.000 0.000 0.268 342 L C 1.261 178.208 176.870 0.128 0.000 0.986 342 L CA -0.774 54.133 54.840 0.112 0.000 0.820 342 L CB 2.294 44.432 42.059 0.132 0.000 1.303 342 L HN 0.256 nan 8.230 nan 0.000 0.411 343 Q N 0.466 120.321 119.800 0.091 0.000 2.364 343 Q HA -0.160 4.180 4.340 0.000 0.000 0.209 343 Q C 0.745 176.817 176.000 0.119 0.000 0.977 343 Q CA 1.119 56.977 55.803 0.092 0.000 0.885 343 Q CB 0.160 28.928 28.738 0.051 0.000 0.941 343 Q HN 0.612 nan 8.270 nan 0.000 0.464 344 D N 0.328 120.803 120.400 0.126 0.000 2.347 344 D HA -0.037 4.603 4.640 0.000 0.000 0.215 344 D C 0.426 176.831 176.300 0.175 0.000 0.976 344 D CA 0.230 54.317 54.000 0.145 0.000 0.884 344 D CB 0.336 41.214 40.800 0.130 0.000 0.915 344 D HN 0.058 nan 8.370 nan 0.000 0.526 345 R N 0.258 120.868 120.500 0.184 0.000 2.643 345 R HA 0.273 4.614 4.340 0.000 0.000 0.272 345 R C -0.703 175.712 176.300 0.193 0.000 0.995 345 R CA -0.555 55.653 56.100 0.180 0.000 1.032 345 R CB 0.749 31.183 30.300 0.223 0.000 1.126 345 R HN -0.227 nan 8.270 nan 0.000 0.505 346 N N 1.269 120.046 118.700 0.128 0.000 2.804 346 N HA 0.131 4.872 4.740 0.000 0.000 0.251 346 N C -0.390 175.144 175.510 0.041 0.000 1.250 346 N CA -0.182 52.910 53.050 0.069 0.000 0.820 346 N CB 1.378 39.823 38.487 -0.070 0.000 1.156 346 N HN 0.578 nan 8.380 nan 0.000 0.512 347 T N 0.769 115.374 114.554 0.085 0.000 2.746 347 T HA -0.073 4.277 4.350 0.000 0.000 0.267 347 T C 1.352 176.004 174.700 -0.081 0.000 1.039 347 T CA 1.120 63.214 62.100 -0.009 0.000 1.142 347 T CB 0.227 69.044 68.868 -0.086 0.000 0.866 347 T HN 0.434 nan 8.240 nan 0.000 0.444 348 E N 0.875 121.053 120.200 -0.036 0.000 2.051 348 E HA -0.072 4.279 4.350 0.000 0.000 0.192 348 E C 2.258 178.868 176.600 0.016 0.000 0.991 348 E CA 0.796 57.200 56.400 0.007 0.000 0.799 348 E CB -0.511 29.240 29.700 0.086 0.000 0.748 348 E HN 0.295 nan 8.360 nan 0.000 0.449 349 L N 1.211 122.411 121.223 -0.039 0.000 2.056 349 L HA -0.104 4.236 4.340 0.000 0.000 0.207 349 L C 2.497 179.354 176.870 -0.022 0.000 1.078 349 L CA 1.710 56.512 54.840 -0.065 0.000 0.749 349 L CB -0.804 41.196 42.059 -0.099 0.000 0.901 349 L HN -0.006 nan 8.230 nan 0.000 0.433 350 S N -1.673 114.034 115.700 0.012 0.000 2.374 350 S HA -0.322 4.148 4.470 0.000 0.000 0.227 350 S C 2.113 176.755 174.600 0.070 0.000 1.037 350 S CA 1.792 60.030 58.200 0.062 0.000 1.024 350 S CB -0.614 62.616 63.200 0.050 0.000 0.861 350 S HN 0.637 nan 8.310 nan 0.000 0.456 351 Y N 1.587 121.844 120.300 -0.072 0.000 2.220 351 Y HA -0.078 4.473 4.550 0.000 0.000 0.291 351 Y C 2.662 178.507 175.900 -0.091 0.000 1.129 351 Y CA 1.766 59.811 58.100 -0.093 0.000 1.161 351 Y CB -0.238 38.161 38.460 -0.102 0.000 0.997 351 Y HN 0.264 nan 8.280 nan 0.000 0.522 352 Q N -0.281 119.540 119.800 0.034 0.000 2.077 352 Q HA -0.209 4.132 4.340 0.000 0.000 0.206 352 Q C 2.190 178.144 176.000 -0.076 0.000 0.989 352 Q CA 1.399 57.188 55.803 -0.024 0.000 0.853 352 Q CB -0.713 27.965 28.738 -0.100 0.000 0.907 352 Q HN 0.409 nan 8.270 nan 0.000 0.418 353 L N 0.197 121.334 121.223 -0.144 0.000 2.056 353 L HA -0.125 4.215 4.340 0.000 0.000 0.207 353 L C 2.363 179.001 176.870 -0.387 0.000 1.078 353 L CA 1.068 55.844 54.840 -0.108 0.000 0.749 353 L CB -1.511 40.581 42.059 0.054 0.000 0.901 353 L HN 0.217 nan 8.230 nan 0.000 0.433 354 L N -0.724 120.091 121.223 -0.679 0.000 2.013 354 L HA -0.230 4.111 4.340 0.000 0.000 0.212 354 L C 2.400 178.920 176.870 -0.584 0.000 1.073 354 L CA 1.779 56.007 54.840 -1.019 0.000 0.753 354 L CB -0.574 41.060 42.059 -0.708 0.000 0.890 354 L HN 0.171 nan 8.230 nan 0.000 0.432 355 L N -0.517 120.437 121.223 -0.449 0.000 2.042 355 L HA -0.249 4.091 4.340 0.000 0.000 0.210 355 L C 2.352 179.143 176.870 -0.132 0.000 1.076 355 L CA 1.742 56.416 54.840 -0.278 0.000 0.749 355 L CB -0.776 41.164 42.059 -0.197 0.000 0.893 355 L HN 0.423 nan 8.230 nan 0.000 0.432 356 D N -0.325 120.049 120.400 -0.044 0.000 2.149 356 D HA -0.209 4.431 4.640 0.000 0.000 0.198 356 D C 2.222 178.515 176.300 -0.011 0.000 0.990 356 D CA 1.505 55.523 54.000 0.030 0.000 0.839 356 D CB 0.083 41.016 40.800 0.221 0.000 0.948 356 D HN 0.310 nan 8.370 nan 0.000 0.460 357 S N -0.932 114.715 115.700 -0.087 0.000 2.453 357 S HA -0.058 4.412 4.470 0.000 0.000 0.231 357 S C 1.756 176.332 174.600 -0.039 0.000 1.005 357 S CA 0.252 58.427 58.200 -0.042 0.000 0.949 357 S CB -0.157 62.997 63.200 -0.077 0.000 0.774 357 S HN 0.188 nan 8.310 nan 0.000 0.510 358 L N 1.032 122.200 121.223 -0.092 0.000 2.307 358 L HA 0.487 4.828 4.340 0.000 0.000 0.211 358 L C 1.344 178.198 176.870 -0.027 0.000 1.099 358 L CA 0.891 55.695 54.840 -0.061 0.000 0.816 358 L CB -0.785 41.214 42.059 -0.100 0.000 0.952 358 L HN 0.613 nan 8.230 nan 0.000 0.455 359 G N -2.171 106.615 108.800 -0.023 0.000 2.650 359 G HA2 0.229 4.189 3.960 0.000 0.000 0.310 359 G HA3 0.229 4.189 3.960 0.000 0.000 0.310 359 G C -1.696 173.200 174.900 -0.007 0.000 1.270 359 G CA -0.381 44.713 45.100 -0.011 0.000 0.810 359 G HN -0.152 nan 8.290 nan 0.000 0.493 360 D N 0.095 120.490 120.400 -0.009 0.000 2.443 360 D HA 0.339 4.980 4.640 0.000 0.000 0.221 360 D C 1.197 177.490 176.300 -0.012 0.000 1.097 360 D CA -0.640 53.350 54.000 -0.017 0.000 0.865 360 D CB 0.979 41.763 40.800 -0.026 0.000 1.034 360 D HN 0.180 nan 8.370 nan 0.000 0.511 361 R N 1.526 122.013 120.500 -0.021 0.000 2.316 361 R HA -0.029 4.311 4.340 0.000 0.000 0.202 361 R C 1.584 177.894 176.300 0.017 0.000 1.029 361 R CA 0.610 56.711 56.100 0.001 0.000 1.018 361 R CB -0.807 29.468 30.300 -0.041 0.000 0.888 361 R HN 0.537 nan 8.270 nan 0.000 0.471 362 T N -2.250 112.286 114.554 -0.029 0.000 3.118 362 T HA 0.080 4.430 4.350 0.000 0.000 0.260 362 T C 0.872 175.488 174.700 -0.140 0.000 1.139 362 T CA 0.161 62.223 62.100 -0.064 0.000 1.085 362 T CB 0.158 68.962 68.868 -0.106 0.000 0.934 362 T HN 0.024 nan 8.240 nan 0.000 0.518 363 R N 0.853 121.316 120.500 -0.060 0.000 2.404 363 R HA 0.444 4.784 4.340 0.000 0.000 0.291 363 R C -1.016 175.350 176.300 0.109 0.000 1.025 363 R CA -0.686 55.359 56.100 -0.092 0.000 0.991 363 R CB 0.608 30.873 30.300 -0.059 0.000 1.053 363 R HN 0.235 nan 8.270 nan 0.000 0.479 364 Y N 1.903 122.132 120.300 -0.119 0.000 2.334 364 Y HA 0.338 4.888 4.550 0.000 0.000 0.328 364 Y C -0.174 175.783 175.900 0.096 0.000 1.130 364 Y CA -1.406 56.621 58.100 -0.122 0.000 1.163 364 Y CB 0.870 39.014 38.460 -0.526 0.000 1.207 364 Y HN 0.473 nan 8.280 nan 0.000 0.471 365 F N 2.316 122.349 119.950 0.138 0.000 2.577 365 F HA 0.195 4.722 4.527 0.000 0.000 0.344 365 F C 0.957 176.794 175.800 0.061 0.000 1.145 365 F CA -0.641 57.407 58.000 0.081 0.000 0.996 365 F CB 1.469 40.513 39.000 0.072 0.000 1.248 365 F HN 0.581 nan 8.300 nan 0.000 0.447 366 S N 4.539 120.348 115.700 0.181 0.000 2.419 366 S HA -0.262 4.208 4.470 0.000 0.000 0.233 366 S C 1.898 176.259 174.600 -0.399 0.000 1.016 366 S CA 1.290 59.470 58.200 -0.034 0.000 0.974 366 S CB -0.257 62.960 63.200 0.029 0.000 0.786 366 S HN 0.911 nan 8.310 nan 0.000 0.492 367 M N 0.055 119.033 119.600 -1.036 0.000 2.159 367 M HA 0.016 4.496 4.480 0.000 0.000 0.263 367 M C 0.797 176.567 176.300 -0.883 0.000 1.063 367 M CA 1.563 56.109 55.300 -1.257 0.000 1.110 367 M CB -0.140 31.188 32.600 -2.120 0.000 1.374 367 M HN 0.518 nan 8.290 nan 0.000 0.411 368 W N 0.032 121.054 121.300 -0.463 0.000 3.102 368 W HA 0.319 4.979 4.660 0.000 0.000 0.401 368 W C 0.271 176.531 176.519 -0.431 0.000 1.070 368 W CA -0.869 56.388 57.345 -0.148 0.000 1.921 368 W CB -0.210 29.204 29.460 -0.078 0.000 1.118 368 W HN 0.272 nan 8.180 nan 0.000 0.647 369 N N 1.657 120.129 118.700 -0.380 0.000 2.721 369 N HA -0.261 4.480 4.740 0.000 0.000 0.249 369 N C -0.086 175.291 175.510 -0.221 0.000 1.072 369 N CA 0.842 53.586 53.050 -0.511 0.000 0.710 369 N CB -1.055 36.642 38.487 -1.317 0.000 0.993 369 N HN 0.406 nan 8.380 nan 0.000 0.547 370 Q N 0.203 119.995 119.800 -0.013 0.000 2.423 370 Q HA 0.529 4.869 4.340 0.000 0.000 0.235 370 Q C -0.855 175.152 176.000 0.011 0.000 1.100 370 Q CA -0.010 55.847 55.803 0.090 0.000 0.908 370 Q CB 0.266 29.177 28.738 0.288 0.000 1.312 370 Q HN 0.381 nan 8.270 nan 0.000 0.497 371 A N 4.227 126.965 122.820 -0.136 0.000 2.768 371 A HA 0.244 4.564 4.320 0.000 0.000 0.298 371 A C -0.975 176.456 177.584 -0.254 0.000 1.159 371 A CA -0.549 51.184 52.037 -0.506 0.000 0.783 371 A CB 0.950 19.513 19.000 -0.728 0.000 1.333 371 A HN 0.541 nan 8.150 nan 0.000 0.412 372 V N 2.568 122.449 119.914 -0.056 0.000 2.763 372 V HA 0.064 4.185 4.120 0.000 0.000 0.306 372 V C 0.202 176.306 176.094 0.016 0.000 1.059 372 V CA 0.131 62.436 62.300 0.009 0.000 1.138 372 V CB 0.451 32.300 31.823 0.044 0.000 0.940 372 V HN 0.805 nan 8.190 nan 0.000 0.489 373 D N 4.539 124.947 120.400 0.013 0.000 2.493 373 D HA 0.204 4.844 4.640 0.000 0.000 0.240 373 D C 0.128 176.557 176.300 0.214 0.000 1.142 373 D CA 0.773 54.825 54.000 0.086 0.000 0.872 373 D CB 0.890 41.666 40.800 -0.040 0.000 1.173 373 D HN 0.828 nan 8.370 nan 0.000 0.467 374 S N 1.370 117.259 115.700 0.315 0.000 2.720 374 S HA 0.745 5.215 4.470 0.000 0.000 0.287 374 S C -0.939 173.712 174.600 0.084 0.000 1.168 374 S CA -0.981 57.336 58.200 0.194 0.000 0.832 374 S CB 1.756 64.971 63.200 0.026 0.000 1.166 374 S HN 0.552 nan 8.310 nan 0.000 0.493 375 Y N -1.171 119.058 120.300 -0.118 0.000 2.669 375 Y HA 0.752 5.302 4.550 0.000 0.000 0.335 375 Y C -1.053 174.723 175.900 -0.207 0.000 1.116 375 Y CA -1.250 56.684 58.100 -0.277 0.000 1.081 375 Y CB 0.589 38.716 38.460 -0.555 0.000 1.297 375 Y HN 0.595 nan 8.280 nan 0.000 0.484 376 D N 2.584 123.012 120.400 0.048 0.000 2.325 376 D HA 0.234 4.874 4.640 0.000 0.000 0.251 376 D C -1.748 174.636 176.300 0.139 0.000 1.196 376 D CA -2.649 51.378 54.000 0.044 0.000 0.866 376 D CB 1.582 42.381 40.800 -0.003 0.000 1.101 376 D HN 0.358 nan 8.370 nan 0.000 0.476 377 P HA -0.085 nan 4.420 nan 0.000 0.222 377 P C 0.420 177.766 177.300 0.077 0.000 1.147 377 P CA 0.734 63.928 63.100 0.157 0.000 0.790 377 P CB 0.484 32.231 31.700 0.078 0.000 0.780 378 D N -1.058 119.399 120.400 0.094 0.000 2.355 378 D HA 0.004 4.644 4.640 0.000 0.000 0.218 378 D C 1.786 178.204 176.300 0.196 0.000 1.004 378 D CA 0.396 54.478 54.000 0.136 0.000 0.880 378 D CB 0.306 41.186 40.800 0.134 0.000 0.911 378 D HN 0.072 nan 8.370 nan 0.000 0.528 379 V N 0.433 120.390 119.914 0.072 0.000 2.575 379 V HA -0.073 4.047 4.120 0.000 0.000 0.242 379 V C 2.423 178.387 176.094 -0.218 0.000 1.045 379 V CA 0.663 62.912 62.300 -0.085 0.000 1.065 379 V CB -0.007 31.614 31.823 -0.336 0.000 0.717 379 V HN -0.028 nan 8.190 nan 0.000 0.467 380 R N 0.869 121.180 120.500 -0.314 0.000 2.083 380 R HA -0.013 4.327 4.340 0.000 0.000 0.237 380 R C 0.663 176.799 176.300 -0.273 0.000 1.137 380 R CA 1.679 57.502 56.100 -0.462 0.000 0.951 380 R CB -0.221 29.645 30.300 -0.722 0.000 0.851 380 R HN 0.454 nan 8.270 nan 0.000 0.434 381 I N 1.623 122.105 120.570 -0.147 0.000 2.390 381 I HA 0.255 4.425 4.170 0.000 0.000 0.283 381 I C -0.601 175.524 176.117 0.013 0.000 1.016 381 I CA -0.747 60.500 61.300 -0.089 0.000 1.151 381 I CB 1.793 39.751 38.000 -0.070 0.000 1.293 381 I HN 0.029 nan 8.210 nan 0.000 0.458 382 I N 5.922 126.523 120.570 0.052 0.000 2.436 382 I HA 0.065 4.235 4.170 0.000 0.000 0.289 382 I C 0.740 176.966 176.117 0.181 0.000 1.083 382 I CA 0.241 61.634 61.300 0.155 0.000 1.372 382 I CB 0.446 38.540 38.000 0.156 0.000 1.408 382 I HN 0.618 nan 8.210 nan 0.000 0.516 383 E N 7.105 127.413 120.200 0.179 0.000 2.035 383 E HA 0.106 4.456 4.350 0.000 0.000 0.271 383 E C -0.705 175.937 176.600 0.069 0.000 0.953 383 E CA -0.537 55.938 56.400 0.124 0.000 0.777 383 E CB 0.666 30.420 29.700 0.090 0.000 1.104 383 E HN 0.423 nan 8.360 nan 0.000 0.408 384 N N 3.794 122.567 118.700 0.121 0.000 2.801 384 N HA -0.013 4.727 4.740 0.000 0.000 0.235 384 N C 0.203 175.689 175.510 -0.041 0.000 1.069 384 N CA -0.219 52.892 53.050 0.101 0.000 0.946 384 N CB 0.161 38.828 38.487 0.301 0.000 1.212 384 N HN 0.564 nan 8.380 nan 0.000 0.509 385 H N 1.596 120.590 119.070 -0.128 0.000 2.524 385 H HA 0.259 4.816 4.556 0.000 0.000 0.280 385 H C 0.976 176.197 175.328 -0.178 0.000 1.018 385 H CA 0.109 56.074 56.048 -0.139 0.000 1.165 385 H CB -0.022 29.644 29.762 -0.160 0.000 1.411 385 H HN 0.510 nan 8.280 nan 0.000 0.569 386 G N 1.281 109.929 108.800 -0.254 0.000 2.552 386 G HA2 -0.296 3.664 3.960 0.000 0.000 0.265 386 G HA3 -0.296 3.664 3.960 0.000 0.000 0.265 386 G C -0.186 174.552 174.900 -0.270 0.000 1.234 386 G CA 0.849 45.854 45.100 -0.159 0.000 0.944 386 G HN 0.973 nan 8.290 nan 0.000 0.568 387 V N -3.866 115.988 119.914 -0.100 0.000 2.925 387 V HA 0.836 4.956 4.120 0.000 0.000 0.311 387 V C -0.042 176.025 176.094 -0.045 0.000 1.104 387 V CA -0.457 61.785 62.300 -0.097 0.000 0.954 387 V CB 2.026 33.821 31.823 -0.047 0.000 1.022 387 V HN 0.866 nan 8.190 nan 0.000 0.427 388 E N 2.431 122.602 120.200 -0.049 0.000 2.110 388 E HA 0.164 4.515 4.350 0.000 0.000 0.300 388 E C -0.463 176.112 176.600 -0.041 0.000 1.278 388 E CA 0.089 56.463 56.400 -0.043 0.000 1.365 388 E CB 0.083 29.753 29.700 -0.051 0.000 1.283 388 E HN 0.862 nan 8.360 nan 0.000 0.490 389 D N 0.396 120.773 120.400 -0.038 0.000 2.491 389 D HA -0.014 4.626 4.640 0.000 0.000 0.228 389 D C 0.611 176.880 176.300 -0.052 0.000 1.183 389 D CA -0.122 53.850 54.000 -0.046 0.000 0.827 389 D CB 0.396 41.173 40.800 -0.040 0.000 0.989 389 D HN 0.087 nan 8.370 nan 0.000 0.494 390 E N -0.068 120.105 120.200 -0.044 0.000 2.077 390 E HA -0.004 4.346 4.350 0.000 0.000 0.193 390 E C 0.299 176.871 176.600 -0.047 0.000 0.989 390 E CA 0.561 56.938 56.400 -0.039 0.000 0.800 390 E CB 0.019 29.700 29.700 -0.030 0.000 0.746 390 E HN 0.204 nan 8.360 nan 0.000 0.452 391 L N 2.549 123.740 121.223 -0.053 0.000 2.360 391 L HA 0.191 4.531 4.340 0.000 0.000 0.276 391 L C -2.071 174.723 176.870 -0.127 0.000 1.121 391 L CA -2.322 52.479 54.840 -0.064 0.000 0.845 391 L CB -0.018 42.013 42.059 -0.047 0.000 1.143 391 L HN -0.019 nan 8.230 nan 0.000 0.452 392 P HA 0.064 nan 4.420 nan 0.000 0.267 392 P C -1.061 175.904 177.300 -0.559 0.000 1.200 392 P CA -0.006 62.866 63.100 -0.379 0.000 0.772 392 P CB 0.530 31.989 31.700 -0.401 0.000 0.855 393 N N 1.236 119.556 118.700 -0.634 0.000 2.296 393 N HA 0.412 5.152 4.740 0.000 0.000 0.294 393 N C -1.134 174.002 175.510 -0.623 0.000 1.033 393 N CA -0.530 52.224 53.050 -0.492 0.000 0.839 393 N CB 1.344 39.690 38.487 -0.235 0.000 1.395 393 N HN 0.394 nan 8.380 nan 0.000 0.479 394 Y N 0.104 120.274 120.300 -0.216 0.000 2.485 394 Y HA 0.455 5.005 4.550 0.000 0.000 0.345 394 Y C -0.123 175.413 175.900 -0.606 0.000 0.998 394 Y CA -1.091 56.702 58.100 -0.512 0.000 1.059 394 Y CB 1.319 39.260 38.460 -0.866 0.000 1.234 394 Y HN 0.356 nan 8.280 nan 0.000 0.461 395 C N 3.450 122.500 119.300 -0.417 0.000 2.369 395 C HA 0.570 5.030 4.460 0.000 0.000 0.358 395 C C -0.480 174.183 174.990 -0.544 0.000 1.274 395 C CA -0.744 58.091 59.018 -0.305 0.000 1.935 395 C CB -1.378 26.282 27.740 -0.134 0.000 2.431 395 C HN 0.542 nan 8.230 nan 0.000 0.545 396 F N 1.990 121.951 119.950 0.017 0.000 2.579 396 F HA 0.546 5.073 4.527 0.000 0.000 0.324 396 F C -1.882 173.929 175.800 0.017 0.000 1.058 396 F CA -2.420 55.578 58.000 -0.005 0.000 0.944 396 F CB 0.202 39.187 39.000 -0.025 0.000 1.245 396 F HN 0.357 nan 8.300 nan 0.000 0.477 397 P HA 0.077 nan 4.420 nan 0.000 0.268 397 P C 0.599 177.877 177.300 -0.037 0.000 1.208 397 P CA -0.259 62.894 63.100 0.089 0.000 0.777 397 P CB 0.587 32.319 31.700 0.053 0.000 0.875 398 L N 1.786 122.937 121.223 -0.120 0.000 2.187 398 L HA -0.156 4.184 4.340 0.000 0.000 0.213 398 L C 1.634 178.180 176.870 -0.540 0.000 1.100 398 L CA 1.872 56.594 54.840 -0.196 0.000 0.765 398 L CB -1.184 40.823 42.059 -0.087 0.000 0.904 398 L HN 0.531 nan 8.230 nan 0.000 0.437 399 D N -1.579 118.313 120.400 -0.847 0.000 2.339 399 D HA 0.081 4.722 4.640 0.000 0.000 0.217 399 D C 1.191 177.225 176.300 -0.444 0.000 1.050 399 D CA 0.728 54.070 54.000 -1.097 0.000 0.856 399 D CB 0.187 39.981 40.800 -1.677 0.000 0.922 399 D HN 0.138 nan 8.370 nan 0.000 0.518 400 A N -0.468 122.201 122.820 -0.251 0.000 2.861 400 A HA -0.203 4.117 4.320 0.000 0.000 0.261 400 A C 1.095 178.621 177.584 -0.097 0.000 1.351 400 A CA 1.300 53.253 52.037 -0.139 0.000 0.904 400 A CB -1.970 16.921 19.000 -0.181 0.000 1.076 400 A HN 0.349 nan 8.150 nan 0.000 0.729 401 V N -2.780 117.083 119.914 -0.084 0.000 3.177 401 V HA 0.591 4.711 4.120 0.000 0.000 0.219 401 V C 1.825 177.942 176.094 0.038 0.000 1.344 401 V CA 1.250 63.535 62.300 -0.025 0.000 1.324 401 V CB -0.165 31.633 31.823 -0.042 0.000 1.165 401 V HN 2.513 nan 8.190 nan 0.000 0.510 402 G N 0.459 109.251 108.800 -0.013 0.000 2.508 402 G HA2 0.114 4.074 3.960 0.000 0.000 0.220 402 G HA3 0.114 4.074 3.960 0.000 0.000 0.220 402 G C 0.131 175.005 174.900 -0.044 0.000 1.287 402 G CA 0.178 45.271 45.100 -0.012 0.000 0.916 402 G HN 1.035 nan 8.290 nan 0.000 0.574 403 R N -0.180 120.268 120.500 -0.088 0.000 2.538 403 R HA 0.592 4.932 4.340 0.000 0.000 0.282 403 R C 1.093 177.393 176.300 0.001 0.000 1.009 403 R CA 1.856 57.920 56.100 -0.059 0.000 1.063 403 R CB -0.777 29.465 30.300 -0.096 0.000 0.945 403 R HN 2.338 nan 8.270 nan 0.000 0.414 404 T N -1.160 113.409 114.554 0.024 0.000 2.901 404 T HA 0.626 4.976 4.350 0.000 0.000 0.293 404 T C -0.973 173.766 174.700 0.066 0.000 1.084 404 T CA -0.969 61.177 62.100 0.077 0.000 1.008 404 T CB 1.901 70.830 68.868 0.102 0.000 1.170 404 T HN 0.566 nan 8.240 nan 0.000 0.509 405 D N 0.772 121.240 120.400 0.113 0.000 2.466 405 D HA 0.504 5.144 4.640 0.000 0.000 0.262 405 D C -0.259 175.980 176.300 -0.102 0.000 1.177 405 D CA -0.300 53.666 54.000 -0.058 0.000 1.035 405 D CB 1.177 41.838 40.800 -0.231 0.000 1.105 405 D HN 0.589 nan 8.370 nan 0.000 0.551 406 T N 0.713 115.089 114.554 -0.297 0.000 2.767 406 T HA 0.434 4.784 4.350 0.000 0.000 0.284 406 T C -0.785 173.664 174.700 -0.419 0.000 0.973 406 T CA -0.307 61.678 62.100 -0.192 0.000 0.996 406 T CB 0.138 68.943 68.868 -0.105 0.000 0.927 406 T HN 0.104 nan 8.240 nan 0.000 0.456 407 Y N 1.874 122.176 120.300 0.004 0.000 2.446 407 Y HA 0.454 5.005 4.550 0.000 0.000 0.345 407 Y C 0.433 176.335 175.900 0.002 0.000 0.984 407 Y CA -1.272 56.825 58.100 -0.005 0.000 1.058 407 Y CB 1.675 40.128 38.460 -0.012 0.000 1.220 407 Y HN 0.555 nan 8.280 nan 0.000 0.455 408 Q N 0.904 120.784 119.800 0.133 0.000 2.248 408 Q HA 0.776 5.117 4.340 0.000 0.000 0.263 408 Q C -0.187 175.870 176.000 0.096 0.000 1.007 408 Q CA -1.357 54.500 55.803 0.091 0.000 0.877 408 Q CB 1.973 30.744 28.738 0.055 0.000 1.315 408 Q HN 0.825 nan 8.270 nan 0.000 0.454 409 G N 1.507 110.354 108.800 0.078 0.000 2.395 409 G HA2 0.531 4.491 3.960 0.000 0.000 0.283 409 G HA3 0.531 4.491 3.960 0.000 0.000 0.283 409 G C -0.342 174.611 174.900 0.089 0.000 1.178 409 G CA -0.803 44.341 45.100 0.073 0.000 0.837 409 G HN 0.700 nan 8.290 nan 0.000 0.518 410 I N -1.136 119.501 120.570 0.112 0.000 2.828 410 I HA 0.841 5.012 4.170 0.000 0.000 0.302 410 I C -0.649 175.667 176.117 0.332 0.000 1.101 410 I CA -1.380 60.038 61.300 0.197 0.000 1.031 410 I CB 2.813 40.911 38.000 0.164 0.000 1.231 410 I HN 0.598 nan 8.210 nan 0.000 0.427 411 K N 3.221 123.851 120.400 0.384 0.000 2.443 411 K HA 0.882 5.202 4.320 0.000 0.000 0.251 411 K C -1.320 175.336 176.600 0.093 0.000 0.972 411 K CA -0.924 55.554 56.287 0.317 0.000 0.833 411 K CB 2.273 34.849 32.500 0.127 0.000 1.317 411 K HN 0.784 nan 8.250 nan 0.000 0.441 412 A N 0.756 123.340 122.820 -0.393 0.000 2.301 412 A HA 0.542 4.862 4.320 0.000 0.000 0.298 412 A C -0.141 177.182 177.584 -0.435 0.000 1.185 412 A CA -0.051 51.434 52.037 -0.921 0.000 0.830 412 A CB -0.250 17.948 19.000 -1.336 0.000 1.112 412 A HN 0.986 nan 8.150 nan 0.000 0.508 418 T N -0.773 113.684 114.554 -0.160 0.000 3.060 418 T HA 0.598 4.948 4.350 0.000 0.000 0.249 418 T C 1.123 175.756 174.700 -0.111 0.000 1.079 418 T CA 2.090 64.133 62.100 -0.095 0.000 1.013 418 T CB -0.229 68.639 68.868 -0.001 0.000 0.975 418 T HN 1.760 nan 8.240 nan 0.000 0.518 419 T N 0.120 114.551 114.554 -0.205 0.000 2.875 419 T HA 0.557 4.908 4.350 0.000 0.000 0.284 419 T C -0.892 173.629 174.700 -0.298 0.000 0.995 419 T CA -0.735 61.296 62.100 -0.115 0.000 1.060 419 T CB 0.428 69.265 68.868 -0.051 0.000 0.967 419 T HN 0.413 nan 8.240 nan 0.000 0.476 420 W N 1.042 122.350 121.300 0.012 0.000 2.689 420 W HA 0.644 5.304 4.660 0.000 0.000 0.340 420 W C 0.317 176.845 176.519 0.014 0.000 1.060 420 W CA -0.401 56.952 57.345 0.014 0.000 1.218 420 W CB 2.334 31.805 29.460 0.018 0.000 1.410 420 W HN 0.722 nan 8.180 nan 0.000 0.528 421 T N 1.432 116.138 114.554 0.253 0.000 2.883 421 T HA 0.327 4.677 4.350 0.000 0.000 0.296 421 T C -0.860 173.934 174.700 0.156 0.000 1.117 421 T CA -0.941 61.253 62.100 0.156 0.000 1.006 421 T CB 1.161 70.076 68.868 0.079 0.000 1.191 421 T HN 0.384 nan 8.240 nan 0.000 0.508 422 K N 1.931 122.396 120.400 0.108 0.000 2.448 422 K HA 0.064 4.385 4.320 0.000 0.000 0.278 422 K C -0.662 175.988 176.600 0.083 0.000 1.009 422 K CA -0.092 56.249 56.287 0.090 0.000 0.995 422 K CB 0.353 32.892 32.500 0.064 0.000 0.917 422 K HN 0.505 nan 8.250 nan 0.000 0.481 423 D N 3.454 123.904 120.400 0.084 0.000 2.373 423 D HA 0.086 4.726 4.640 0.000 0.000 0.227 423 D C -0.286 176.046 176.300 0.054 0.000 1.091 423 D CA -0.333 53.710 54.000 0.072 0.000 0.840 423 D CB 1.099 41.949 40.800 0.083 0.000 1.060 423 D HN 0.473 nan 8.370 nan 0.000 0.502 424 D N 1.408 121.834 120.400 0.044 0.000 2.349 424 D HA -0.097 4.543 4.640 0.000 0.000 0.224 424 D C 1.509 177.828 176.300 0.032 0.000 1.029 424 D CA 0.384 54.405 54.000 0.036 0.000 0.879 424 D CB 0.354 41.172 40.800 0.029 0.000 0.906 424 D HN 0.404 nan 8.370 nan 0.000 0.528 425 S N -0.529 115.191 115.700 0.034 0.000 2.575 425 S HA 0.113 4.583 4.470 0.000 0.000 0.215 425 S C 0.594 175.214 174.600 0.034 0.000 0.966 425 S CA -0.364 57.854 58.200 0.030 0.000 0.911 425 S CB 0.276 63.493 63.200 0.028 0.000 0.780 425 S HN -0.150 nan 8.310 nan 0.000 0.514 426 V N 2.592 122.530 119.914 0.040 0.000 2.628 426 V HA 0.410 4.531 4.120 0.000 0.000 0.306 426 V C 0.032 176.152 176.094 0.044 0.000 1.045 426 V CA -1.176 61.150 62.300 0.043 0.000 0.905 426 V CB 1.554 33.408 31.823 0.051 0.000 0.997 426 V HN 0.435 nan 8.190 nan 0.000 0.436 427 N N 2.385 121.111 118.700 0.044 0.000 2.395 427 N HA -0.023 4.717 4.740 0.000 0.000 0.246 427 N C 0.578 176.119 175.510 0.052 0.000 1.246 427 N CA 0.348 53.426 53.050 0.045 0.000 0.879 427 N CB 0.876 39.393 38.487 0.049 0.000 1.098 427 N HN 0.846 nan 8.380 nan 0.000 0.444 428 D N 0.951 121.378 120.400 0.045 0.000 2.349 428 D HA 0.131 4.771 4.640 0.000 0.000 0.214 428 D C -0.250 176.074 176.300 0.040 0.000 1.063 428 D CA -0.012 54.014 54.000 0.043 0.000 0.847 428 D CB 0.028 40.847 40.800 0.032 0.000 0.933 428 D HN 0.388 nan 8.370 nan 0.000 0.513 429 A N 0.401 123.249 122.820 0.047 0.000 3.297 429 A HA 0.381 4.701 4.320 0.000 0.000 0.304 429 A C -0.780 176.848 177.584 0.074 0.000 0.963 429 A CA -0.883 51.181 52.037 0.044 0.000 0.935 429 A CB -0.775 18.244 19.000 0.030 0.000 1.093 429 A HN 0.090 nan 8.150 nan 0.000 0.480 430 N N 1.600 120.365 118.700 0.108 0.000 2.488 430 N HA 0.317 5.057 4.740 0.000 0.000 0.274 430 N C -0.585 175.034 175.510 0.181 0.000 1.111 430 N CA -0.218 52.913 53.050 0.134 0.000 0.974 430 N CB 0.895 39.460 38.487 0.131 0.000 1.089 430 N HN 0.287 nan 8.380 nan 0.000 0.465 431 E N 2.515 122.809 120.200 0.157 0.000 2.070 431 E HA 0.263 4.614 4.350 0.000 0.000 0.282 431 E C -0.310 176.389 176.600 0.165 0.000 1.104 431 E CA 0.013 56.514 56.400 0.168 0.000 0.876 431 E CB 0.546 30.331 29.700 0.143 0.000 1.055 431 E HN 0.489 nan 8.360 nan 0.000 0.401 432 I N 0.972 121.673 120.570 0.219 0.000 2.582 432 I HA 0.380 4.550 4.170 0.000 0.000 0.292 432 I C 0.594 176.770 176.117 0.099 0.000 1.066 432 I CA -1.146 60.200 61.300 0.078 0.000 1.053 432 I CB 2.368 40.293 38.000 -0.125 0.000 1.241 432 I HN 0.332 nan 8.210 nan 0.000 0.421 433 G N 3.941 112.762 108.800 0.035 0.000 2.400 433 G HA2 0.508 4.468 3.960 0.000 0.000 0.301 433 G HA3 0.508 4.468 3.960 0.000 0.000 0.301 433 G C -0.758 174.138 174.900 -0.006 0.000 1.154 433 G CA -0.531 44.595 45.100 0.044 0.000 0.852 433 G HN 0.519 nan 8.290 nan 0.000 0.511 434 K N 0.633 121.044 120.400 0.019 0.000 2.130 434 K HA 0.596 4.916 4.320 0.000 0.000 0.268 434 K C 0.841 177.442 176.600 0.002 0.000 0.983 434 K CA 0.723 57.003 56.287 -0.010 0.000 0.893 434 K CB 1.485 33.994 32.500 0.016 0.000 1.066 434 K HN 1.040 nan 8.250 nan 0.000 0.450 435 G N 2.272 111.065 108.800 -0.013 0.000 2.593 435 G HA2 -0.253 3.707 3.960 0.000 0.000 0.237 435 G HA3 -0.253 3.707 3.960 0.000 0.000 0.237 435 G C -0.642 174.253 174.900 -0.009 0.000 1.312 435 G CA -0.725 44.371 45.100 -0.006 0.000 0.896 435 G HN 0.625 nan 8.290 nan 0.000 0.574 436 N N 1.641 120.337 118.700 -0.006 0.000 2.445 436 N HA 0.558 5.299 4.740 0.000 0.000 0.264 436 N C -2.237 173.278 175.510 0.008 0.000 1.227 436 N CA -0.779 52.260 53.050 -0.018 0.000 0.963 436 N CB 0.106 38.570 38.487 -0.038 0.000 1.188 436 N HN 0.409 nan 8.380 nan 0.000 0.491 437 P HA 0.054 nan 4.420 nan 0.000 0.268 437 P C -0.172 177.201 177.300 0.122 0.000 1.205 437 P CA -0.200 62.933 63.100 0.055 0.000 0.771 437 P CB 0.216 31.919 31.700 0.004 0.000 0.858 438 F N 2.352 122.321 119.950 0.031 0.000 2.607 438 F HA 0.323 4.850 4.527 0.000 0.000 0.374 438 F C 0.134 175.966 175.800 0.054 0.000 1.104 438 F CA 0.315 58.328 58.000 0.023 0.000 1.296 438 F CB 0.097 39.101 39.000 0.008 0.000 1.085 438 F HN 0.435 nan 8.300 nan 0.000 0.584 439 A N 7.339 129.608 122.820 -0.918 0.000 2.566 439 A HA 0.836 5.156 4.320 0.000 0.000 0.292 439 A C -1.238 175.812 177.584 -0.891 0.000 1.112 439 A CA -0.992 50.583 52.037 -0.770 0.000 0.707 439 A CB 1.635 20.241 19.000 -0.656 0.000 1.302 439 A HN 0.699 nan 8.150 nan 0.000 0.409 440 M N 0.532 119.815 119.600 -0.529 0.000 2.619 440 M HA 0.536 5.016 4.480 0.000 0.000 0.297 440 M C -0.729 175.492 176.300 -0.133 0.000 1.229 440 M CA -0.287 54.842 55.300 -0.284 0.000 0.860 440 M CB 2.025 34.522 32.600 -0.171 0.000 1.741 440 M HN 0.890 nan 8.290 nan 0.000 0.462 441 E N 1.490 121.640 120.200 -0.085 0.000 2.238 441 E HA 0.732 5.082 4.350 0.000 0.000 0.267 441 E C -1.859 174.648 176.600 -0.156 0.000 0.887 441 E CA -0.595 55.734 56.400 -0.119 0.000 0.769 441 E CB 2.952 32.600 29.700 -0.086 0.000 1.187 441 E HN 0.684 nan 8.360 nan 0.000 0.416 442 I N 3.431 123.883 120.570 -0.196 0.000 2.607 442 I HA 0.297 4.467 4.170 0.000 0.000 0.290 442 I C -1.413 174.608 176.117 -0.161 0.000 1.129 442 I CA -0.783 60.427 61.300 -0.150 0.000 1.042 442 I CB 1.684 39.624 38.000 -0.101 0.000 1.242 442 I HN 0.416 nan 8.210 nan 0.000 0.421 443 N N 7.717 126.333 118.700 -0.139 0.000 2.508 443 N HA 0.220 4.960 4.740 0.000 0.000 0.253 443 N C 0.847 176.320 175.510 -0.061 0.000 1.145 443 N CA 0.197 53.180 53.050 -0.111 0.000 0.973 443 N CB 0.418 38.845 38.487 -0.100 0.000 1.305 443 N HN 0.698 nan 8.380 nan 0.000 0.506 444 I N 1.811 122.344 120.570 -0.061 0.000 2.179 444 I HA -0.310 3.860 4.170 0.000 0.000 0.242 444 I C 2.149 178.270 176.117 0.007 0.000 1.088 444 I CA 0.923 62.209 61.300 -0.024 0.000 1.357 444 I CB 0.016 38.000 38.000 -0.026 0.000 1.051 444 I HN 0.482 nan 8.210 nan 0.000 0.409 445 Q N 0.768 120.567 119.800 -0.001 0.000 2.050 445 Q HA -0.190 4.151 4.340 0.000 0.000 0.202 445 Q C 2.496 178.541 176.000 0.076 0.000 0.980 445 Q CA 1.912 57.728 55.803 0.021 0.000 0.840 445 Q CB -0.658 28.075 28.738 -0.009 0.000 0.898 445 Q HN 0.576 nan 8.270 nan 0.000 0.424 446 A N 1.903 124.763 122.820 0.066 0.000 1.940 446 A HA -0.207 4.113 4.320 0.000 0.000 0.219 446 A C 1.944 179.605 177.584 0.129 0.000 1.176 446 A CA 1.560 53.670 52.037 0.122 0.000 0.631 446 A CB -0.496 18.545 19.000 0.069 0.000 0.814 446 A HN 0.332 nan 8.150 nan 0.000 0.446 447 N N -0.298 118.447 118.700 0.076 0.000 2.142 447 N HA -0.096 4.644 4.740 0.000 0.000 0.186 447 N C 1.538 177.115 175.510 0.111 0.000 1.023 447 N CA 1.116 54.207 53.050 0.068 0.000 0.852 447 N CB -0.305 38.202 38.487 0.033 0.000 0.998 447 N HN 0.263 nan 8.380 nan 0.000 0.424 448 L N 0.627 121.929 121.223 0.133 0.000 2.012 448 L HA -0.155 4.185 4.340 0.000 0.000 0.210 448 L C 2.188 179.235 176.870 0.294 0.000 1.073 448 L CA 1.373 56.319 54.840 0.177 0.000 0.748 448 L CB -1.417 40.722 42.059 0.134 0.000 0.891 448 L HN 0.404 nan 8.230 nan 0.000 0.431 449 W N 0.320 121.644 121.300 0.041 0.000 2.379 449 W HA -0.230 4.431 4.660 0.000 0.000 0.307 449 W C 2.811 179.399 176.519 0.115 0.000 1.200 449 W CA 1.027 58.400 57.345 0.047 0.000 1.297 449 W CB 0.018 29.466 29.460 -0.019 0.000 1.140 449 W HN 0.121 nan 8.180 nan 0.000 0.507 450 R N 0.609 121.145 120.500 0.060 0.000 2.081 450 R HA -0.196 4.145 4.340 0.000 0.000 0.235 450 R C 1.836 178.135 176.300 -0.001 0.000 1.131 450 R CA 2.205 58.253 56.100 -0.086 0.000 0.960 450 R CB -0.544 29.729 30.300 -0.045 0.000 0.856 450 R HN 0.140 nan 8.270 nan 0.000 0.436 451 N N -0.237 118.514 118.700 0.084 0.000 2.104 451 N HA -0.202 4.539 4.740 0.000 0.000 0.190 451 N C 1.340 176.951 175.510 0.169 0.000 1.024 451 N CA 1.565 54.690 53.050 0.125 0.000 0.853 451 N CB -0.296 38.269 38.487 0.130 0.000 1.008 451 N HN 0.200 nan 8.380 nan 0.000 0.424 452 F N 0.936 120.922 119.950 0.060 0.000 2.146 452 F HA -0.012 4.516 4.527 0.000 0.000 0.298 452 F C 1.755 177.541 175.800 -0.023 0.000 1.096 452 F CA 1.059 59.105 58.000 0.078 0.000 1.275 452 F CB -0.171 38.934 39.000 0.176 0.000 1.008 452 F HN -0.027 nan 8.300 nan 0.000 0.480 453 L N -0.956 120.245 121.223 -0.037 0.000 2.046 453 L HA -0.245 4.096 4.340 0.000 0.000 0.208 453 L C 2.343 179.133 176.870 -0.132 0.000 1.077 453 L CA 1.551 56.253 54.840 -0.229 0.000 0.747 453 L CB -0.955 40.834 42.059 -0.450 0.000 0.896 453 L HN 0.244 nan 8.230 nan 0.000 0.432 454 Y N 0.525 120.725 120.300 -0.168 0.000 2.163 454 Y HA -0.222 4.328 4.550 0.000 0.000 0.288 454 Y C 2.495 178.340 175.900 -0.091 0.000 1.136 454 Y CA 1.245 59.270 58.100 -0.124 0.000 1.147 454 Y CB -0.315 38.084 38.460 -0.102 0.000 0.987 454 Y HN 0.091 nan 8.280 nan 0.000 0.509 455 A N 0.118 122.906 122.820 -0.053 0.000 1.930 455 A HA -0.165 4.155 4.320 0.000 0.000 0.217 455 A C 1.949 179.564 177.584 0.052 0.000 1.175 455 A CA 1.891 53.886 52.037 -0.070 0.000 0.627 455 A CB -0.506 18.503 19.000 0.015 0.000 0.815 455 A HN 0.597 nan 8.150 nan 0.000 0.443 456 N N -1.128 117.535 118.700 -0.061 0.000 2.415 456 N HA 0.069 4.810 4.740 0.000 0.000 0.174 456 N C 1.301 176.850 175.510 0.065 0.000 1.048 456 N CA 1.332 54.377 53.050 -0.007 0.000 0.895 456 N CB 0.674 38.855 38.487 -0.510 0.000 1.036 456 N HN 0.330 nan 8.380 nan 0.000 0.449 457 V N 0.402 120.284 119.914 -0.054 0.000 3.054 457 V HA 0.239 4.359 4.120 0.000 0.000 0.227 457 V C 2.187 178.238 176.094 -0.072 0.000 1.252 457 V CA 0.851 63.115 62.300 -0.060 0.000 1.279 457 V CB -0.650 31.095 31.823 -0.131 0.000 1.118 457 V HN 0.076 nan 8.190 nan 0.000 0.504 458 A N 0.279 122.998 122.820 -0.169 0.000 1.908 458 A HA -0.136 4.185 4.320 0.000 0.000 0.218 458 A C 2.112 179.505 177.584 -0.319 0.000 1.181 458 A CA 1.821 53.724 52.037 -0.223 0.000 0.627 458 A CB -0.671 18.231 19.000 -0.163 0.000 0.818 458 A HN 0.479 nan 8.150 nan 0.000 0.445 459 L N -2.188 118.752 121.223 -0.470 0.000 2.362 459 L HA -0.145 4.195 4.340 0.000 0.000 0.219 459 L C 1.545 178.121 176.870 -0.489 0.000 1.134 459 L CA 0.890 55.406 54.840 -0.540 0.000 0.807 459 L CB -0.327 41.338 42.059 -0.656 0.000 0.927 459 L HN 0.528 nan 8.230 nan 0.000 0.447 460 Y N -0.973 119.200 120.300 -0.212 0.000 2.485 460 Y HA 0.225 4.775 4.550 0.000 0.000 0.260 460 Y C 0.940 176.766 175.900 -0.124 0.000 1.173 460 Y CA -0.653 57.365 58.100 -0.136 0.000 1.252 460 Y CB 0.082 38.497 38.460 -0.075 0.000 1.123 460 Y HN -0.004 nan 8.280 nan 0.000 0.524 461 L N 2.102 123.286 121.223 -0.064 0.000 2.483 461 L HA 0.067 4.407 4.340 0.000 0.000 0.275 461 L C -1.927 174.942 176.870 -0.002 0.000 1.220 461 L CA -1.774 52.997 54.840 -0.115 0.000 0.833 461 L CB 0.188 42.111 42.059 -0.227 0.000 1.102 461 L HN -0.062 nan 8.230 nan 0.000 0.490 462 P HA -0.058 nan 4.420 nan 0.000 0.268 462 P C -0.006 177.418 177.300 0.206 0.000 1.208 462 P CA -0.002 63.202 63.100 0.173 0.000 0.777 462 P CB 0.490 32.348 31.700 0.263 0.000 0.875 463 D N 1.218 121.700 120.400 0.137 0.000 2.190 463 D HA -0.177 4.463 4.640 0.000 0.000 0.200 463 D C 1.549 177.916 176.300 0.113 0.000 0.992 463 D CA 1.921 55.990 54.000 0.114 0.000 0.854 463 D CB -0.227 40.669 40.800 0.158 0.000 0.936 463 D HN 0.336 nan 8.370 nan 0.000 0.462 464 S N -1.368 114.397 115.700 0.108 0.000 2.469 464 S HA -0.198 4.272 4.470 0.000 0.000 0.238 464 S C 1.542 176.085 174.600 -0.096 0.000 0.998 464 S CA 0.569 58.767 58.200 -0.003 0.000 0.957 464 S CB -0.721 62.437 63.200 -0.070 0.000 0.764 464 S HN 0.385 nan 8.310 nan 0.000 0.514 465 Y N 1.881 122.197 120.300 0.026 0.000 2.461 465 Y HA 0.406 4.956 4.550 0.000 0.000 0.277 465 Y C 1.039 176.960 175.900 0.035 0.000 1.182 465 Y CA -0.202 57.914 58.100 0.027 0.000 1.276 465 Y CB 0.120 38.589 38.460 0.015 0.000 1.087 465 Y HN 0.216 nan 8.280 nan 0.000 0.519 466 K N -0.243 120.233 120.400 0.126 0.000 2.313 466 K HA 0.527 4.848 4.320 0.000 0.000 0.235 466 K C -1.357 175.308 176.600 0.109 0.000 1.035 466 K CA -1.016 55.300 56.287 0.049 0.000 0.868 466 K CB 2.123 34.577 32.500 -0.078 0.000 1.232 466 K HN 0.001 nan 8.250 nan 0.000 0.459 467 Y N -2.942 117.316 120.300 -0.068 0.000 2.655 467 Y HA 0.484 5.035 4.550 0.000 0.000 0.336 467 Y C -1.102 174.745 175.900 -0.088 0.000 1.154 467 Y CA -1.102 56.958 58.100 -0.066 0.000 1.055 467 Y CB 1.422 39.849 38.460 -0.056 0.000 1.295 467 Y HN 0.303 nan 8.280 nan 0.000 0.465 468 T N 3.538 118.151 114.554 0.099 0.000 2.809 468 T HA 0.460 4.810 4.350 0.000 0.000 0.296 468 T C -2.685 172.094 174.700 0.131 0.000 1.015 468 T CA -1.227 60.870 62.100 -0.004 0.000 0.954 468 T CB 0.962 69.829 68.868 -0.002 0.000 0.950 468 T HN 0.408 nan 8.240 nan 0.000 0.450 469 P HA 0.328 nan 4.420 nan 0.000 0.269 469 P C -0.447 176.892 177.300 0.065 0.000 1.217 469 P CA -0.465 62.727 63.100 0.153 0.000 0.783 469 P CB 0.385 32.144 31.700 0.099 0.000 0.898 470 A N 2.702 125.551 122.820 0.049 0.000 2.386 470 A HA 0.323 4.644 4.320 0.000 0.000 0.248 470 A C 1.149 178.728 177.584 -0.008 0.000 1.082 470 A CA 0.534 52.581 52.037 0.017 0.000 0.789 470 A CB -0.443 18.563 19.000 0.010 0.000 1.025 470 A HN 0.907 nan 8.150 nan 0.000 0.490 471 N N -1.220 117.468 118.700 -0.020 0.000 2.980 471 N HA -0.169 4.571 4.740 0.000 0.000 0.213 471 N C -0.838 174.646 175.510 -0.044 0.000 0.892 471 N CA 1.576 54.600 53.050 -0.044 0.000 1.025 471 N CB -2.049 36.390 38.487 -0.080 0.000 1.030 471 N HN 0.765 nan 8.380 nan 0.000 0.585 472 V N 1.417 121.314 119.914 -0.028 0.000 2.448 472 V HA 0.610 4.730 4.120 0.000 0.000 0.295 472 V C 0.105 176.190 176.094 -0.015 0.000 1.025 472 V CA -0.038 62.245 62.300 -0.028 0.000 0.859 472 V CB 1.722 33.522 31.823 -0.038 0.000 0.988 472 V HN 0.291 nan 8.190 nan 0.000 0.431 473 T N 6.432 120.980 114.554 -0.010 0.000 2.770 473 T HA 0.647 4.997 4.350 0.000 0.000 0.283 473 T C -0.586 174.120 174.700 0.010 0.000 0.988 473 T CA -0.444 61.659 62.100 0.005 0.000 0.957 473 T CB 1.289 70.162 68.868 0.009 0.000 0.930 473 T HN 0.157 nan 8.240 nan 0.000 0.443 474 L N 4.120 125.362 121.223 0.032 0.000 2.334 474 L HA 0.631 4.971 4.340 0.000 0.000 0.270 474 L C -2.013 174.921 176.870 0.106 0.000 1.018 474 L CA -2.612 52.265 54.840 0.061 0.000 0.811 474 L CB 0.254 42.356 42.059 0.071 0.000 1.271 474 L HN 0.400 nan 8.230 nan 0.000 0.443 475 P HA 0.071 nan 4.420 nan 0.000 0.268 475 P C 0.665 177.998 177.300 0.056 0.000 1.208 475 P CA -0.013 63.131 63.100 0.073 0.000 0.777 475 P CB 0.475 32.211 31.700 0.060 0.000 0.875 476 T N 0.157 114.707 114.554 -0.006 0.000 2.951 476 T HA -0.097 4.253 4.350 0.000 0.000 0.268 476 T C 0.905 175.510 174.700 -0.158 0.000 1.073 476 T CA 0.517 62.580 62.100 -0.062 0.000 1.134 476 T CB -0.731 68.117 68.868 -0.033 0.000 0.884 476 T HN 0.305 nan 8.240 nan 0.000 0.479 477 N N 2.188 120.816 118.700 -0.120 0.000 2.406 477 N HA 0.013 4.753 4.740 0.000 0.000 0.265 477 N C 1.113 176.457 175.510 -0.277 0.000 1.203 477 N CA 0.536 53.497 53.050 -0.148 0.000 0.945 477 N CB 1.126 39.574 38.487 -0.064 0.000 1.165 477 N HN 0.453 nan 8.380 nan 0.000 0.485 478 T N -0.106 114.184 114.554 -0.439 0.000 3.148 478 T HA 0.081 4.431 4.350 0.000 0.000 0.253 478 T C 0.703 175.271 174.700 -0.220 0.000 1.134 478 T CA 0.270 61.923 62.100 -0.745 0.000 1.051 478 T CB -0.040 68.363 68.868 -0.774 0.000 0.959 478 T HN 0.339 nan 8.240 nan 0.000 0.525 479 N N 2.337 120.971 118.700 -0.109 0.000 2.322 479 N HA 0.071 4.811 4.740 0.000 0.000 0.194 479 N C 0.493 176.010 175.510 0.012 0.000 1.126 479 N CA 0.309 53.349 53.050 -0.017 0.000 0.845 479 N CB 0.545 39.025 38.487 -0.013 0.000 0.976 479 N HN 0.721 nan 8.380 nan 0.000 0.475 480 T N -3.053 111.516 114.554 0.025 0.000 2.928 480 T HA 0.168 4.518 4.350 0.000 0.000 0.284 480 T C 1.136 175.885 174.700 0.082 0.000 1.008 480 T CA -0.755 61.381 62.100 0.060 0.000 1.057 480 T CB 1.618 70.520 68.868 0.056 0.000 1.018 480 T HN 0.077 nan 8.240 nan 0.000 0.493 481 Y N 1.696 121.980 120.300 -0.026 0.000 2.128 481 Y HA -0.196 4.355 4.550 0.000 0.000 0.284 481 Y C 1.915 177.767 175.900 -0.080 0.000 1.154 481 Y CA 2.158 60.219 58.100 -0.064 0.000 1.149 481 Y CB -0.349 38.060 38.460 -0.085 0.000 0.976 481 Y HN 0.718 nan 8.280 nan 0.000 0.505 482 D N -1.054 119.371 120.400 0.041 0.000 2.178 482 D HA -0.226 4.414 4.640 0.000 0.000 0.201 482 D C 1.852 178.075 176.300 -0.128 0.000 0.980 482 D CA 1.499 55.463 54.000 -0.059 0.000 0.842 482 D CB -0.658 40.161 40.800 0.033 0.000 0.948 482 D HN 0.522 nan 8.370 nan 0.000 0.472 483 Y N 0.943 121.147 120.300 -0.161 0.000 2.133 483 Y HA -0.162 4.388 4.550 0.000 0.000 0.287 483 Y C 2.410 178.170 175.900 -0.235 0.000 1.134 483 Y CA 1.515 59.519 58.100 -0.161 0.000 1.133 483 Y CB -0.143 38.256 38.460 -0.101 0.000 0.987 483 Y HN -0.152 nan 8.280 nan 0.000 0.502 484 M N -0.210 119.288 119.600 -0.170 0.000 2.213 484 M HA -0.208 4.272 4.480 0.000 0.000 0.263 484 M C 1.740 177.728 176.300 -0.519 0.000 1.062 484 M CA 1.933 57.043 55.300 -0.317 0.000 1.105 484 M CB -0.447 32.004 32.600 -0.249 0.000 1.385 484 M HN 0.280 nan 8.290 nan 0.000 0.417 485 N N 0.299 118.596 118.700 -0.671 0.000 2.376 485 N HA -0.022 4.718 4.740 0.000 0.000 0.177 485 N C 1.563 176.688 175.510 -0.641 0.000 1.024 485 N CA 1.286 53.886 53.050 -0.751 0.000 0.893 485 N CB -0.012 37.872 38.487 -1.004 0.000 0.980 485 N HN 0.258 nan 8.380 nan 0.000 0.439 486 G N -0.518 107.963 108.800 -0.531 0.000 2.662 486 G HA2 0.018 3.978 3.960 0.000 0.000 0.212 486 G HA3 0.018 3.978 3.960 0.000 0.000 0.212 486 G C 0.501 175.166 174.900 -0.392 0.000 1.141 486 G CA -0.249 44.602 45.100 -0.416 0.000 0.797 486 G HN 0.061 nan 8.290 nan 0.000 0.531 487 R N 0.646 120.837 120.500 -0.514 0.000 2.537 487 R HA 0.257 4.597 4.340 0.000 0.000 0.280 487 R C -0.640 175.409 176.300 -0.419 0.000 1.058 487 R CA -0.070 55.728 56.100 -0.504 0.000 1.057 487 R CB 1.423 31.364 30.300 -0.598 0.000 0.973 487 R HN -0.011 nan 8.270 nan 0.000 0.438 488 V N 3.960 123.556 119.914 -0.530 0.000 2.481 488 V HA 0.242 4.362 4.120 0.000 0.000 0.286 488 V C 0.114 175.931 176.094 -0.462 0.000 1.042 488 V CA -0.648 61.303 62.300 -0.581 0.000 0.928 488 V CB 1.952 33.198 31.823 -0.962 0.000 0.986 488 V HN 0.396 nan 8.190 nan 0.000 0.462 489 V N 3.976 123.782 119.914 -0.180 0.000 2.384 489 V HA 0.602 4.722 4.120 0.000 0.000 0.287 489 V C 0.538 176.723 176.094 0.151 0.000 1.020 489 V CA -0.891 61.407 62.300 -0.004 0.000 0.850 489 V CB 1.496 33.291 31.823 -0.046 0.000 0.987 489 V HN 0.976 nan 8.190 nan 0.000 0.436 490 A N 6.623 129.543 122.820 0.166 0.000 2.522 490 A HA 0.394 4.714 4.320 0.000 0.000 0.256 490 A C -1.341 176.318 177.584 0.126 0.000 1.086 490 A CA -0.763 51.345 52.037 0.119 0.000 0.763 490 A CB 0.013 19.054 19.000 0.069 0.000 1.024 490 A HN 0.725 nan 8.150 nan 0.000 0.502 491 P HA -0.139 nan 4.420 nan 0.000 0.220 491 P C 1.448 178.749 177.300 0.002 0.000 1.148 491 P CA 1.704 64.805 63.100 0.001 0.000 0.803 491 P CB 0.115 31.613 31.700 -0.338 0.000 0.782 492 S N -1.483 114.216 115.700 -0.002 0.000 2.603 492 S HA -0.015 4.455 4.470 0.000 0.000 0.229 492 S C 1.695 176.312 174.600 0.030 0.000 0.972 492 S CA 0.488 58.697 58.200 0.016 0.000 0.935 492 S CB -1.439 61.817 63.200 0.094 0.000 0.769 492 S HN 0.099 nan 8.310 nan 0.000 0.536 493 L N 0.739 121.985 121.223 0.039 0.000 2.141 493 L HA 0.093 4.434 4.340 0.000 0.000 0.209 493 L C 0.382 177.249 176.870 -0.005 0.000 1.094 493 L CA 0.653 55.520 54.840 0.046 0.000 0.763 493 L CB -0.045 42.049 42.059 0.059 0.000 0.908 493 L HN 0.262 nan 8.230 nan 0.000 0.437 494 V N -0.691 119.194 119.914 -0.049 0.000 2.405 494 V HA 0.221 4.341 4.120 0.000 0.000 0.253 494 V C -0.358 175.602 176.094 -0.224 0.000 0.963 494 V CA -0.623 61.606 62.300 -0.118 0.000 1.003 494 V CB 0.659 32.412 31.823 -0.116 0.000 1.251 494 V HN 0.067 nan 8.190 nan 0.000 0.520 495 D N 1.319 121.495 120.400 -0.373 0.000 2.447 495 D HA 0.156 4.797 4.640 0.000 0.000 0.265 495 D C 1.596 177.536 176.300 -0.600 0.000 1.250 495 D CA 0.568 54.227 54.000 -0.567 0.000 1.046 495 D CB 1.911 42.091 40.800 -1.034 0.000 1.095 495 D HN 0.417 nan 8.370 nan 0.000 0.555 496 S N -0.216 115.202 115.700 -0.470 0.000 2.507 496 S HA -0.196 4.274 4.470 0.000 0.000 0.235 496 S C 1.476 176.086 174.600 0.017 0.000 0.988 496 S CA 0.747 58.807 58.200 -0.234 0.000 0.944 496 S CB -0.592 62.639 63.200 0.051 0.000 0.762 496 S HN 0.576 nan 8.310 nan 0.000 0.526 497 Y N -0.172 120.171 120.300 0.072 0.000 2.493 497 Y HA 0.574 5.124 4.550 0.000 0.000 0.275 497 Y C 0.428 176.357 175.900 0.048 0.000 1.183 497 Y CA -2.155 55.985 58.100 0.067 0.000 1.258 497 Y CB -0.861 37.611 38.460 0.019 0.000 1.108 497 Y HN 0.190 nan 8.280 nan 0.000 0.521 498 I N 3.198 123.744 120.570 -0.039 0.000 2.742 498 I HA -0.053 4.118 4.170 0.000 0.000 0.287 498 I C 0.342 176.521 176.117 0.104 0.000 1.186 498 I CA 0.353 61.671 61.300 0.030 0.000 1.417 498 I CB -0.178 37.794 38.000 -0.047 0.000 1.377 498 I HN 0.426 nan 8.210 nan 0.000 0.556 499 N N 5.940 124.695 118.700 0.091 0.000 2.700 499 N HA -0.272 4.469 4.740 0.000 0.000 0.265 499 N C -0.015 175.531 175.510 0.060 0.000 0.975 499 N CA 0.718 53.787 53.050 0.031 0.000 0.800 499 N CB -0.873 37.618 38.487 0.006 0.000 0.908 499 N HN 0.649 nan 8.380 nan 0.000 0.551 500 I N -0.212 120.403 120.570 0.076 0.000 2.618 500 I HA 0.108 4.279 4.170 0.000 0.000 0.284 500 I C 1.484 177.635 176.117 0.055 0.000 1.146 500 I CA 1.396 62.755 61.300 0.098 0.000 1.425 500 I CB 0.148 38.221 38.000 0.121 0.000 1.383 500 I HN 0.588 nan 8.210 nan 0.000 0.562 501 G N 4.547 113.387 108.800 0.067 0.000 2.176 501 G HA2 -0.190 3.770 3.960 0.000 0.000 0.253 501 G HA3 -0.190 3.770 3.960 0.000 0.000 0.253 501 G C 0.099 175.027 174.900 0.047 0.000 0.979 501 G CA 0.050 45.178 45.100 0.047 0.000 0.641 501 G HN 1.106 nan 8.290 nan 0.000 0.530 502 A N -0.477 122.382 122.820 0.064 0.000 2.311 502 A HA 0.895 5.216 4.320 0.000 0.000 0.334 502 A C 0.252 177.917 177.584 0.135 0.000 1.139 502 A CA -0.156 51.928 52.037 0.078 0.000 0.830 502 A CB 0.997 20.023 19.000 0.043 0.000 1.234 502 A HN 0.678 nan 8.150 nan 0.000 0.483 503 R N 1.271 121.863 120.500 0.154 0.000 2.265 503 R HA 0.437 4.777 4.340 0.000 0.000 0.328 503 R C -1.656 174.817 176.300 0.288 0.000 0.969 503 R CA -0.269 55.933 56.100 0.171 0.000 0.832 503 R CB 0.737 31.099 30.300 0.104 0.000 1.139 503 R HN 0.807 nan 8.270 nan 0.000 0.457 504 W N 4.618 125.919 121.300 0.003 0.000 3.827 504 W HA 0.148 4.808 4.660 0.000 0.000 0.307 504 W C -1.400 175.102 176.519 -0.029 0.000 1.204 504 W CA -0.552 56.785 57.345 -0.013 0.000 1.250 504 W CB 1.764 31.224 29.460 0.001 0.000 1.281 504 W HN 0.699 nan 8.180 nan 0.000 0.494 505 S N 4.456 119.857 115.700 -0.499 0.000 2.584 505 S HA 0.566 5.036 4.470 0.000 0.000 0.273 505 S C -0.057 174.209 174.600 -0.556 0.000 1.311 505 S CA -0.694 57.246 58.200 -0.432 0.000 1.034 505 S CB 1.623 64.554 63.200 -0.448 0.000 0.939 505 S HN 0.423 nan 8.310 nan 0.000 0.513 506 L N 2.611 123.700 121.223 -0.222 0.000 2.410 506 L HA 0.130 4.471 4.340 0.000 0.000 0.273 506 L C 1.091 177.881 176.870 -0.134 0.000 1.152 506 L CA -0.560 54.240 54.840 -0.067 0.000 0.855 506 L CB 0.085 42.115 42.059 -0.049 0.000 1.129 506 L HN 0.729 nan 8.230 nan 0.000 0.463 507 D N 3.577 123.978 120.400 0.001 0.000 2.160 507 D HA -0.182 4.459 4.640 0.000 0.000 0.189 507 D C -0.359 175.941 176.300 -0.001 0.000 1.003 507 D CA 1.783 55.785 54.000 0.003 0.000 0.846 507 D CB -1.077 39.813 40.800 0.150 0.000 0.949 507 D HN 0.524 nan 8.370 nan 0.000 0.446 508 P HA -0.098 nan 4.420 nan 0.000 0.220 508 P C 1.410 178.696 177.300 -0.025 0.000 1.148 508 P CA 1.025 64.139 63.100 0.023 0.000 0.803 508 P CB -0.017 31.644 31.700 -0.066 0.000 0.782 509 M N -0.397 119.147 119.600 -0.093 0.000 2.419 509 M HA -0.036 4.445 4.480 0.000 0.000 0.264 509 M C 1.313 177.552 176.300 -0.102 0.000 1.082 509 M CA 1.016 56.250 55.300 -0.110 0.000 1.119 509 M CB -1.481 31.020 32.600 -0.164 0.000 1.398 509 M HN -0.099 nan 8.290 nan 0.000 0.453 510 D N 1.169 121.494 120.400 -0.124 0.000 2.158 510 D HA -0.142 4.499 4.640 0.000 0.000 0.197 510 D C 1.167 177.558 176.300 0.151 0.000 0.995 510 D CA 1.131 55.038 54.000 -0.154 0.000 0.846 510 D CB -0.244 40.350 40.800 -0.343 0.000 0.941 510 D HN 0.313 nan 8.370 nan 0.000 0.456 511 N N -0.336 118.480 118.700 0.193 0.000 2.270 511 N HA 0.049 4.790 4.740 0.000 0.000 0.198 511 N C -0.562 175.145 175.510 0.329 0.000 1.117 511 N CA -0.001 53.230 53.050 0.303 0.000 0.845 511 N CB 1.092 39.700 38.487 0.201 0.000 0.980 511 N HN -0.021 nan 8.380 nan 0.000 0.486 512 V N 1.652 121.675 119.914 0.182 0.000 2.439 512 V HA 0.150 4.270 4.120 0.000 0.000 0.282 512 V C 0.532 176.515 176.094 -0.185 0.000 1.039 512 V CA -1.159 61.184 62.300 0.072 0.000 0.913 512 V CB 1.423 33.255 31.823 0.015 0.000 0.983 512 V HN 0.174 nan 8.190 nan 0.000 0.460 513 N N 7.851 126.281 118.700 -0.450 0.000 2.394 513 N HA 0.017 4.757 4.740 0.000 0.000 0.277 513 N C -1.308 173.922 175.510 -0.465 0.000 1.346 513 N CA -1.169 51.289 53.050 -0.987 0.000 0.910 513 N CB 1.129 39.339 38.487 -0.462 0.000 1.201 513 N HN 0.396 nan 8.380 nan 0.000 0.488 514 P HA -0.009 nan 4.420 nan 0.000 0.245 514 P C 0.608 177.621 177.300 -0.479 0.000 1.212 514 P CA 0.613 63.346 63.100 -0.613 0.000 0.774 514 P CB -0.022 31.050 31.700 -1.047 0.000 0.999 515 F N -0.087 119.830 119.950 -0.055 0.000 2.664 515 F HA 0.121 4.648 4.527 0.000 0.000 0.296 515 F C 1.066 176.906 175.800 0.065 0.000 1.125 515 F CA 0.091 58.129 58.000 0.064 0.000 1.444 515 F CB -0.680 38.375 39.000 0.092 0.000 1.114 515 F HN -0.170 nan 8.300 nan 0.000 0.576 516 N N 1.286 120.094 118.700 0.179 0.000 2.895 516 N HA 0.018 4.758 4.740 0.000 0.000 0.277 516 N C -0.739 174.884 175.510 0.188 0.000 1.185 516 N CA 0.376 53.539 53.050 0.187 0.000 1.106 516 N CB -0.591 38.014 38.487 0.195 0.000 1.422 516 N HN 0.275 nan 8.380 nan 0.000 0.521 517 H N 0.296 119.382 119.070 0.027 0.000 3.079 517 H HA 0.038 4.594 4.556 0.000 0.000 0.356 517 H C 0.753 176.102 175.328 0.036 0.000 1.221 517 H CA -0.373 55.582 56.048 -0.155 0.000 1.185 517 H CB 1.215 30.697 29.762 -0.466 0.000 1.882 517 H HN 0.475 nan 8.280 nan 0.000 0.543 518 H N 2.775 121.840 119.070 -0.009 0.000 2.524 518 H HA 0.066 4.622 4.556 0.000 0.000 0.282 518 H C 0.319 175.844 175.328 0.330 0.000 1.016 518 H CA 0.422 56.636 56.048 0.276 0.000 1.270 518 H CB 0.308 30.182 29.762 0.186 0.000 1.394 518 H HN 0.377 nan 8.280 nan 0.000 0.568 519 R N 1.090 121.618 120.500 0.047 0.000 2.426 519 R HA 0.047 4.387 4.340 0.000 0.000 0.263 519 R C 0.166 176.494 176.300 0.048 0.000 0.961 519 R CA -0.308 55.818 56.100 0.043 0.000 1.086 519 R CB 0.087 30.353 30.300 -0.056 0.000 1.186 519 R HN 0.097 nan 8.270 nan 0.000 0.537 520 N N 1.502 120.260 118.700 0.098 0.000 2.406 520 N HA 0.006 4.746 4.740 0.000 0.000 0.269 520 N C 0.657 176.207 175.510 0.066 0.000 1.210 520 N CA -0.013 53.099 53.050 0.103 0.000 0.966 520 N CB 1.142 39.727 38.487 0.163 0.000 1.293 520 N HN 0.195 nan 8.380 nan 0.000 0.491 521 A N 3.407 126.272 122.820 0.075 0.000 1.969 521 A HA 0.019 4.340 4.320 0.000 0.000 0.218 521 A C 1.961 179.613 177.584 0.113 0.000 1.169 521 A CA 1.469 53.562 52.037 0.094 0.000 0.635 521 A CB -0.720 18.355 19.000 0.125 0.000 0.810 521 A HN 0.650 nan 8.150 nan 0.000 0.445 522 G N 0.092 108.937 108.800 0.074 0.000 2.421 522 G HA2 -0.149 3.811 3.960 0.000 0.000 0.216 522 G HA3 -0.149 3.811 3.960 0.000 0.000 0.216 522 G C 1.485 176.348 174.900 -0.062 0.000 1.171 522 G CA 1.221 46.253 45.100 -0.114 0.000 0.775 522 G HN 0.526 nan 8.290 nan 0.000 0.543 523 L N 0.694 121.915 121.223 -0.003 0.000 2.056 523 L HA 0.108 4.448 4.340 0.000 0.000 0.207 523 L C 2.705 179.534 176.870 -0.069 0.000 1.078 523 L CA 2.233 57.075 54.840 0.004 0.000 0.749 523 L CB -0.650 41.449 42.059 0.068 0.000 0.901 523 L HN 0.270 nan 8.230 nan 0.000 0.433 524 R N -1.666 118.722 120.500 -0.187 0.000 2.083 524 R HA -0.282 4.058 4.340 0.000 0.000 0.237 524 R C 2.454 178.636 176.300 -0.196 0.000 1.137 524 R CA 2.116 57.905 56.100 -0.519 0.000 0.951 524 R CB -0.841 29.102 30.300 -0.596 0.000 0.851 524 R HN 0.544 nan 8.270 nan 0.000 0.434 525 Y N 0.917 121.124 120.300 -0.156 0.000 2.165 525 Y HA -0.254 4.296 4.550 0.000 0.000 0.286 525 Y C 2.164 178.012 175.900 -0.087 0.000 1.155 525 Y CA 2.070 60.123 58.100 -0.080 0.000 1.164 525 Y CB -0.026 38.388 38.460 -0.078 0.000 0.978 525 Y HN 0.040 nan 8.280 nan 0.000 0.513 526 R N -0.627 119.818 120.500 -0.092 0.000 2.092 526 R HA -0.127 4.213 4.340 0.000 0.000 0.231 526 R C 2.784 179.024 176.300 -0.101 0.000 1.119 526 R CA 1.176 57.191 56.100 -0.143 0.000 0.970 526 R CB -0.523 29.739 30.300 -0.062 0.000 0.864 526 R HN 0.298 nan 8.270 nan 0.000 0.440 527 S N 0.424 116.104 115.700 -0.033 0.000 2.356 527 S HA -0.157 4.313 4.470 0.000 0.000 0.223 527 S C 1.894 176.534 174.600 0.067 0.000 1.032 527 S CA 1.311 59.552 58.200 0.068 0.000 1.005 527 S CB -0.011 63.373 63.200 0.306 0.000 0.867 527 S HN 0.219 nan 8.310 nan 0.000 0.449 528 M N 0.600 120.215 119.600 0.026 0.000 2.319 528 M HA 0.053 4.533 4.480 0.000 0.000 0.265 528 M C 1.997 178.251 176.300 -0.077 0.000 1.068 528 M CA 0.802 56.115 55.300 0.022 0.000 1.118 528 M CB -0.393 32.222 32.600 0.025 0.000 1.395 528 M HN 0.317 nan 8.290 nan 0.000 0.435 529 L N 0.103 121.192 121.223 -0.223 0.000 2.187 529 L HA -0.227 4.113 4.340 0.000 0.000 0.213 529 L C 2.118 178.957 176.870 -0.051 0.000 1.100 529 L CA 1.116 55.829 54.840 -0.212 0.000 0.765 529 L CB -0.399 41.477 42.059 -0.305 0.000 0.904 529 L HN 0.379 nan 8.230 nan 0.000 0.437 530 L N -1.563 119.649 121.223 -0.018 0.000 2.307 530 L HA 0.202 4.542 4.340 0.000 0.000 0.211 530 L C 1.063 177.956 176.870 0.037 0.000 1.099 530 L CA 0.508 55.366 54.840 0.029 0.000 0.816 530 L CB -0.203 41.835 42.059 -0.034 0.000 0.952 530 L HN 0.396 nan 8.230 nan 0.000 0.455 531 G N 0.236 109.066 108.800 0.049 0.000 2.334 531 G HA2 -0.173 3.787 3.960 0.000 0.000 0.315 531 G HA3 -0.173 3.787 3.960 0.000 0.000 0.315 531 G C -0.540 174.465 174.900 0.174 0.000 1.284 531 G CA -0.048 45.105 45.100 0.088 0.000 0.985 531 G HN 0.101 nan 8.290 nan 0.000 0.504 532 N N -0.048 118.769 118.700 0.194 0.000 2.187 532 N HA 0.357 5.097 4.740 0.000 0.000 0.212 532 N C 0.701 176.423 175.510 0.353 0.000 1.152 532 N CA 0.825 54.042 53.050 0.279 0.000 0.872 532 N CB 1.079 39.661 38.487 0.158 0.000 1.025 532 N HN 1.132 nan 8.380 nan 0.000 0.514 533 G N 0.672 109.646 108.800 0.290 0.000 2.473 533 G HA2 0.392 4.352 3.960 0.000 0.000 0.321 533 G HA3 0.392 4.352 3.960 0.000 0.000 0.321 533 G C 0.761 175.718 174.900 0.095 0.000 1.200 533 G CA -0.935 44.301 45.100 0.226 0.000 0.963 533 G HN 0.226 nan 8.290 nan 0.000 0.483 534 R N -1.023 119.447 120.500 -0.051 0.000 2.148 534 R HA -0.012 4.329 4.340 0.000 0.000 0.227 534 R C -0.416 175.608 176.300 -0.460 0.000 1.103 534 R CA 0.726 56.608 56.100 -0.363 0.000 0.983 534 R CB -0.268 29.748 30.300 -0.474 0.000 0.874 534 R HN 0.381 nan 8.270 nan 0.000 0.451 535 Y N 1.189 121.478 120.300 -0.019 0.000 2.367 535 Y HA 0.439 4.990 4.550 0.000 0.000 0.342 535 Y C -0.476 175.422 175.900 -0.002 0.000 0.979 535 Y CA -1.216 56.874 58.100 -0.016 0.000 1.161 535 Y CB 1.912 40.375 38.460 0.005 0.000 1.155 535 Y HN -0.245 nan 8.280 nan 0.000 0.503 536 V N 5.808 125.812 119.914 0.150 0.000 2.462 536 V HA 0.339 4.460 4.120 0.000 0.000 0.288 536 V C -2.598 173.621 176.094 0.210 0.000 1.020 536 V CA -2.138 60.244 62.300 0.135 0.000 0.857 536 V CB 1.702 33.567 31.823 0.070 0.000 1.013 536 V HN 0.516 nan 8.190 nan 0.000 0.431 537 P HA 0.381 nan 4.420 nan 0.000 0.276 537 P C -0.812 176.571 177.300 0.138 0.000 1.243 537 P CA 0.024 63.176 63.100 0.086 0.000 0.768 537 P CB 0.320 32.024 31.700 0.007 0.000 0.856 538 F N 0.186 120.196 119.950 0.100 0.000 2.598 538 F HA 0.704 5.232 4.527 0.000 0.000 0.327 538 F C -0.560 175.345 175.800 0.174 0.000 1.057 538 F CA -1.092 57.002 58.000 0.157 0.000 0.957 538 F CB 1.776 40.934 39.000 0.263 0.000 1.278 538 F HN 0.363 nan 8.300 nan 0.000 0.484 539 H N 2.956 122.120 119.070 0.157 0.000 3.224 539 H HA 0.606 5.162 4.556 0.000 0.000 0.331 539 H C -1.658 173.727 175.328 0.095 0.000 1.002 539 H CA -0.847 55.219 56.048 0.029 0.000 1.473 539 H CB 1.591 31.342 29.762 -0.019 0.000 1.830 539 H HN 0.900 nan 8.280 nan 0.000 0.485 540 I N 0.974 121.611 120.570 0.113 0.000 3.074 540 I HA 0.530 4.701 4.170 0.000 0.000 0.310 540 I C -1.637 174.370 176.117 -0.183 0.000 1.153 540 I CA -1.239 60.004 61.300 -0.095 0.000 0.993 540 I CB 2.691 40.505 38.000 -0.310 0.000 1.237 540 I HN 0.365 nan 8.210 nan 0.000 0.443 541 Q N 2.311 121.985 119.800 -0.210 0.000 2.340 541 Q HA 0.690 5.030 4.340 0.000 0.000 0.268 541 Q C -1.290 174.797 176.000 0.146 0.000 1.031 541 Q CA -0.624 55.133 55.803 -0.077 0.000 0.804 541 Q CB 2.785 31.228 28.738 -0.491 0.000 1.286 541 Q HN 0.553 nan 8.270 nan 0.000 0.448 542 V N 4.137 124.199 119.914 0.247 0.000 2.448 542 V HA 0.588 4.708 4.120 0.000 0.000 0.295 542 V C -2.230 174.022 176.094 0.264 0.000 1.025 542 V CA -1.902 60.532 62.300 0.223 0.000 0.859 542 V CB 1.664 33.524 31.823 0.063 0.000 0.988 542 V HN 0.707 nan 8.190 nan 0.000 0.431 543 P HA 0.267 nan 4.420 nan 0.000 0.279 543 P C -1.184 175.998 177.300 -0.195 0.000 1.252 543 P CA -0.606 62.285 63.100 -0.347 0.000 0.811 543 P CB 1.080 32.269 31.700 -0.851 0.000 1.035 544 Q N 1.256 120.925 119.800 -0.219 0.000 2.296 544 Q HA 0.178 4.518 4.340 0.000 0.000 0.257 544 Q C 0.304 176.162 176.000 -0.238 0.000 0.942 544 Q CA 0.500 56.202 55.803 -0.170 0.000 0.939 544 Q CB 0.710 29.368 28.738 -0.133 0.000 1.198 544 Q HN 0.284 nan 8.270 nan 0.000 0.429 545 K N 3.427 123.695 120.400 -0.220 0.000 2.373 545 K HA 0.148 4.468 4.320 0.000 0.000 0.200 545 K C -0.352 176.158 176.600 -0.150 0.000 1.054 545 K CA -0.242 55.785 56.287 -0.433 0.000 1.065 545 K CB 0.469 32.488 32.500 -0.801 0.000 0.886 545 K HN 0.478 nan 8.250 nan 0.000 0.546 546 F N 2.488 122.349 119.950 -0.149 0.000 2.504 546 F HA 0.006 4.534 4.527 0.000 0.000 0.369 546 F C 1.023 176.842 175.800 0.031 0.000 1.082 546 F CA -1.368 56.656 58.000 0.040 0.000 1.216 546 F CB 0.285 39.458 39.000 0.288 0.000 1.108 546 F HN 0.042 nan 8.300 nan 0.000 0.554 547 F N 4.074 123.670 119.950 -0.591 0.000 2.216 547 F HA -0.030 4.498 4.527 0.000 0.000 0.300 547 F C 1.743 177.255 175.800 -0.480 0.000 1.085 547 F CA 1.198 58.953 58.000 -0.408 0.000 1.326 547 F CB -1.060 37.763 39.000 -0.294 0.000 1.027 547 F HN 0.403 nan 8.300 nan 0.000 0.497 548 A N 1.350 123.104 122.820 -1.777 0.000 2.067 548 A HA 0.044 4.364 4.320 0.000 0.000 0.219 548 A C 2.163 179.365 177.584 -0.637 0.000 1.158 548 A CA 1.532 52.852 52.037 -1.196 0.000 0.661 548 A CB -1.024 17.462 19.000 -0.858 0.000 0.801 548 A HN 0.777 nan 8.150 nan 0.000 0.452 549 I N -4.023 116.307 120.570 -0.401 0.000 4.592 549 I HA 0.176 4.346 4.170 0.000 0.000 0.329 549 I C 1.576 177.498 176.117 -0.325 0.000 1.309 549 I CA 0.659 61.786 61.300 -0.289 0.000 1.243 549 I CB -0.033 37.942 38.000 -0.043 0.000 1.241 549 I HN 0.186 nan 8.210 nan 0.000 0.434 550 K N 1.279 121.506 120.400 -0.288 0.000 2.362 550 K HA 0.129 4.450 4.320 0.000 0.000 0.200 550 K C 0.970 177.441 176.600 -0.215 0.000 1.046 550 K CA 1.464 57.636 56.287 -0.193 0.000 0.952 550 K CB -0.106 32.335 32.500 -0.098 0.000 0.753 550 K HN 0.238 nan 8.250 nan 0.000 0.466 551 S N 0.452 115.930 115.700 -0.369 0.000 2.819 551 S HA 0.178 4.648 4.470 0.000 0.000 0.249 551 S C -0.470 174.004 174.600 -0.211 0.000 1.030 551 S CA -0.732 57.328 58.200 -0.234 0.000 1.052 551 S CB 0.221 63.371 63.200 -0.082 0.000 1.017 551 S HN 0.233 nan 8.310 nan 0.000 0.576 552 L N 2.719 123.722 121.223 -0.368 0.000 2.490 552 L HA 0.333 4.673 4.340 0.000 0.000 0.274 552 L C -0.358 176.488 176.870 -0.039 0.000 1.201 552 L CA -0.047 54.715 54.840 -0.130 0.000 0.869 552 L CB 0.297 42.222 42.059 -0.224 0.000 1.123 552 L HN 0.177 nan 8.230 nan 0.000 0.484 553 L N 5.753 127.009 121.223 0.055 0.000 2.268 553 L HA 0.370 4.710 4.340 0.000 0.000 0.289 553 L C -0.712 176.133 176.870 -0.042 0.000 1.064 553 L CA -0.010 54.827 54.840 -0.005 0.000 0.824 553 L CB 0.733 42.806 42.059 0.023 0.000 1.202 553 L HN 0.641 nan 8.230 nan 0.000 0.433 554 L N 5.705 126.867 121.223 -0.103 0.000 2.292 554 L HA 0.462 4.802 4.340 0.000 0.000 0.284 554 L C -0.452 176.412 176.870 -0.010 0.000 1.065 554 L CA 0.183 54.931 54.840 -0.153 0.000 0.806 554 L CB 0.963 42.829 42.059 -0.321 0.000 1.175 554 L HN 0.524 nan 8.230 nan 0.000 0.431 555 L N 5.319 126.578 121.223 0.060 0.000 2.400 555 L HA 0.532 4.872 4.340 0.000 0.000 0.264 555 L C -1.985 175.029 176.870 0.240 0.000 1.061 555 L CA -2.196 52.723 54.840 0.131 0.000 0.799 555 L CB 0.592 42.707 42.059 0.094 0.000 1.240 555 L HN 0.460 nan 8.230 nan 0.000 0.461 556 P HA 0.122 nan 4.420 nan 0.000 0.263 556 P C -0.207 177.169 177.300 0.127 0.000 1.175 556 P CA 0.442 63.637 63.100 0.159 0.000 0.761 556 P CB 0.436 32.184 31.700 0.080 0.000 0.794 557 G N 0.745 109.569 108.800 0.040 0.000 2.352 557 G HA2 0.288 4.249 3.960 0.000 0.000 0.302 557 G HA3 0.288 4.249 3.960 0.000 0.000 0.302 557 G C -1.488 173.169 174.900 -0.405 0.000 1.370 557 G CA -0.576 44.367 45.100 -0.262 0.000 0.918 557 G HN 0.315 nan 8.290 nan 0.000 0.610 558 S N -0.352 115.043 115.700 -0.510 0.000 2.451 558 S HA 0.791 5.262 4.470 0.000 0.000 0.301 558 S C -1.331 172.936 174.600 -0.555 0.000 1.116 558 S CA -0.298 57.696 58.200 -0.343 0.000 1.093 558 S CB 0.922 64.046 63.200 -0.128 0.000 1.017 558 S HN 0.455 nan 8.310 nan 0.000 0.482 559 Y N 0.363 120.678 120.300 0.025 0.000 2.462 559 Y HA 0.368 4.918 4.550 0.000 0.000 0.346 559 Y C 0.608 176.547 175.900 0.065 0.000 0.976 559 Y CA -0.955 57.162 58.100 0.028 0.000 1.044 559 Y CB 1.457 39.911 38.460 -0.011 0.000 1.230 559 Y HN 0.377 nan 8.280 nan 0.000 0.455 560 T N 3.380 118.068 114.554 0.223 0.000 2.761 560 T HA 0.154 4.504 4.350 0.000 0.000 0.296 560 T C -1.255 173.643 174.700 0.330 0.000 0.934 560 T CA -0.092 62.139 62.100 0.219 0.000 1.091 560 T CB -0.279 68.673 68.868 0.140 0.000 0.896 560 T HN 0.554 nan 8.240 nan 0.000 0.515 561 Y N 2.946 123.367 120.300 0.201 0.000 2.326 561 Y HA 0.402 4.952 4.550 0.000 0.000 0.329 561 Y C -0.217 175.899 175.900 0.360 0.000 0.973 561 Y CA -0.938 57.326 58.100 0.273 0.000 1.162 561 Y CB 0.881 39.487 38.460 0.243 0.000 1.147 561 Y HN 0.643 nan 8.280 nan 0.000 0.456 562 E N 5.997 126.387 120.200 0.317 0.000 2.293 562 E HA 0.285 4.635 4.350 0.000 0.000 0.270 562 E C -1.693 174.951 176.600 0.073 0.000 0.879 562 E CA -0.851 55.615 56.400 0.109 0.000 0.756 562 E CB 2.860 32.554 29.700 -0.008 0.000 1.208 562 E HN 0.540 nan 8.360 nan 0.000 0.428 563 W N 1.549 122.711 121.300 -0.230 0.000 3.118 563 W HA 0.323 4.983 4.660 0.000 0.000 0.328 563 W C -1.264 175.022 176.519 -0.389 0.000 1.239 563 W CA -0.489 56.614 57.345 -0.403 0.000 1.176 563 W CB 2.214 31.232 29.460 -0.736 0.000 1.433 563 W HN 0.543 nan 8.180 nan 0.000 0.562 564 N N 2.074 120.533 118.700 -0.401 0.000 2.362 564 N HA 0.525 5.266 4.740 0.000 0.000 0.298 564 N C -1.518 173.913 175.510 -0.132 0.000 1.048 564 N CA -0.444 52.506 53.050 -0.166 0.000 0.858 564 N CB 1.694 40.013 38.487 -0.280 0.000 1.218 564 N HN -0.004 nan 8.380 nan 0.000 0.488 565 F N 0.698 120.758 119.950 0.184 0.000 2.522 565 F HA 0.460 4.987 4.527 0.000 0.000 0.324 565 F C 0.776 176.749 175.800 0.287 0.000 1.077 565 F CA -0.955 57.106 58.000 0.101 0.000 0.944 565 F CB 1.461 40.305 39.000 -0.260 0.000 1.175 565 F HN 0.110 nan 8.300 nan 0.000 0.468 566 R N 1.590 122.272 120.500 0.302 0.000 2.410 566 R HA 0.298 4.639 4.340 0.000 0.000 0.288 566 R C 0.304 176.882 176.300 0.464 0.000 1.051 566 R CA -0.409 55.861 56.100 0.283 0.000 1.021 566 R CB 1.137 31.433 30.300 -0.007 0.000 1.032 566 R HN 0.704 nan 8.270 nan 0.000 0.481 567 K N 0.324 120.963 120.400 0.398 0.000 2.360 567 K HA 0.010 4.330 4.320 0.000 0.000 0.196 567 K C -0.199 176.528 176.600 0.212 0.000 1.049 567 K CA -0.078 56.365 56.287 0.260 0.000 1.049 567 K CB 0.387 32.996 32.500 0.182 0.000 0.881 567 K HN 0.440 nan 8.250 nan 0.000 0.542 568 D N 1.768 122.347 120.400 0.300 0.000 2.402 568 D HA -0.068 4.572 4.640 0.000 0.000 0.268 568 D C 1.308 177.743 176.300 0.225 0.000 1.294 568 D CA -0.061 54.139 54.000 0.333 0.000 0.945 568 D CB 1.056 42.116 40.800 0.434 0.000 1.112 568 D HN -0.020 nan 8.370 nan 0.000 0.517 569 V N 2.394 122.404 119.914 0.160 0.000 2.469 569 V HA -0.228 3.892 4.120 0.000 0.000 0.251 569 V C 1.665 177.809 176.094 0.082 0.000 1.064 569 V CA 1.357 63.706 62.300 0.082 0.000 1.066 569 V CB -0.534 31.298 31.823 0.015 0.000 0.667 569 V HN 0.368 nan 8.190 nan 0.000 0.461 570 N N -0.269 118.503 118.700 0.120 0.000 2.396 570 N HA 0.038 4.779 4.740 0.000 0.000 0.180 570 N C 1.609 177.286 175.510 0.279 0.000 1.028 570 N CA 1.458 54.563 53.050 0.092 0.000 0.893 570 N CB -0.167 38.318 38.487 -0.004 0.000 0.967 570 N HN 0.437 nan 8.380 nan 0.000 0.440 571 M N -0.104 119.672 119.600 0.293 0.000 2.412 571 M HA 0.182 4.662 4.480 0.000 0.000 0.263 571 M C 1.994 178.419 176.300 0.208 0.000 1.122 571 M CA 0.696 56.156 55.300 0.266 0.000 1.179 571 M CB -0.495 32.209 32.600 0.173 0.000 1.335 571 M HN 0.105 nan 8.290 nan 0.000 0.465 572 I N -2.071 118.620 120.570 0.202 0.000 3.228 572 I HA 0.136 4.306 4.170 0.000 0.000 0.279 572 I C 0.474 176.738 176.117 0.245 0.000 1.221 572 I CA 0.231 61.684 61.300 0.255 0.000 1.458 572 I CB 0.090 38.272 38.000 0.303 0.000 1.105 572 I HN -0.057 nan 8.210 nan 0.000 0.445 573 L N 1.252 122.534 121.223 0.098 0.000 2.332 573 L HA 0.558 4.898 4.340 0.000 0.000 0.269 573 L C -0.383 176.488 176.870 0.002 0.000 1.016 573 L CA -0.560 54.261 54.840 -0.030 0.000 0.809 573 L CB 1.592 43.556 42.059 -0.159 0.000 1.280 573 L HN 0.198 nan 8.230 nan 0.000 0.447 574 Q N 0.833 120.617 119.800 -0.028 0.000 2.347 574 Q HA 0.522 4.862 4.340 0.000 0.000 0.271 574 Q C -1.482 174.507 176.000 -0.017 0.000 1.064 574 Q CA -0.574 55.221 55.803 -0.013 0.000 0.800 574 Q CB 2.469 31.226 28.738 0.033 0.000 1.304 574 Q HN 0.770 nan 8.270 nan 0.000 0.438 575 S N 0.786 116.466 115.700 -0.032 0.000 2.607 575 S HA 0.383 4.854 4.470 0.000 0.000 0.303 575 S C 0.656 175.293 174.600 0.062 0.000 1.086 575 S CA -0.060 58.154 58.200 0.024 0.000 0.995 575 S CB 1.678 64.872 63.200 -0.011 0.000 1.084 575 S HN 0.745 nan 8.310 nan 0.000 0.507 576 S N 1.350 117.136 115.700 0.144 0.000 2.428 576 S HA 0.036 4.507 4.470 0.000 0.000 0.230 576 S C 1.522 176.224 174.600 0.169 0.000 1.014 576 S CA 0.252 58.566 58.200 0.191 0.000 0.957 576 S CB -0.805 62.574 63.200 0.298 0.000 0.784 576 S HN 0.668 nan 8.310 nan 0.000 0.499 577 L N 0.800 122.090 121.223 0.112 0.000 2.270 577 L HA 0.258 4.599 4.340 0.000 0.000 0.210 577 L C 1.994 178.891 176.870 0.044 0.000 1.104 577 L CA 0.653 55.542 54.840 0.081 0.000 0.804 577 L CB -0.768 41.314 42.059 0.038 0.000 0.937 577 L HN 0.619 nan 8.230 nan 0.000 0.450 578 G N 0.754 109.529 108.800 -0.042 0.000 2.141 578 G HA2 -0.245 3.715 3.960 0.000 0.000 0.231 578 G HA3 -0.245 3.715 3.960 0.000 0.000 0.231 578 G C 0.130 174.927 174.900 -0.170 0.000 0.984 578 G CA 0.235 45.204 45.100 -0.219 0.000 0.660 578 G HN 0.483 nan 8.290 nan 0.000 0.525 579 N N 0.653 119.312 118.700 -0.068 0.000 2.399 579 N HA 0.340 5.081 4.740 0.000 0.000 0.250 579 N C -0.457 175.011 175.510 -0.070 0.000 1.272 579 N CA -0.086 52.950 53.050 -0.023 0.000 0.928 579 N CB 0.739 39.257 38.487 0.052 0.000 1.158 579 N HN 0.136 nan 8.380 nan 0.000 0.463 580 D N 0.528 120.904 120.400 -0.041 0.000 2.344 580 D HA 0.078 4.718 4.640 0.000 0.000 0.253 580 D C 1.034 177.312 176.300 -0.038 0.000 1.255 580 D CA -0.262 53.702 54.000 -0.060 0.000 0.894 580 D CB 0.083 40.864 40.800 -0.031 0.000 1.067 580 D HN 0.504 nan 8.370 nan 0.000 0.492 581 L N 3.694 124.884 121.223 -0.055 0.000 2.275 581 L HA -0.081 4.260 4.340 0.000 0.000 0.215 581 L C 2.420 179.283 176.870 -0.012 0.000 1.119 581 L CA 0.500 55.316 54.840 -0.039 0.000 0.790 581 L CB -0.198 41.827 42.059 -0.057 0.000 0.919 581 L HN 0.361 nan 8.230 nan 0.000 0.443 582 R N -0.308 120.200 120.500 0.013 0.000 2.062 582 R HA -0.098 4.243 4.340 0.000 0.000 0.231 582 R C 2.225 178.542 176.300 0.028 0.000 1.136 582 R CA 1.866 57.992 56.100 0.044 0.000 0.948 582 R CB -1.078 29.282 30.300 0.099 0.000 0.845 582 R HN 0.256 nan 8.270 nan 0.000 0.430 583 T N 1.388 115.955 114.554 0.023 0.000 2.788 583 T HA -0.096 4.254 4.350 0.000 0.000 0.268 583 T C 0.907 175.614 174.700 0.011 0.000 1.044 583 T CA 1.402 63.513 62.100 0.018 0.000 1.139 583 T CB -0.200 68.677 68.868 0.015 0.000 0.867 583 T HN 0.169 nan 8.240 nan 0.000 0.454 584 D N 0.424 120.826 120.400 0.004 0.000 2.370 584 D HA 0.306 4.946 4.640 0.000 0.000 0.230 584 D C 1.367 177.652 176.300 -0.025 0.000 1.143 584 D CA 0.298 54.295 54.000 -0.004 0.000 0.834 584 D CB -0.259 40.542 40.800 0.001 0.000 0.944 584 D HN 0.485 nan 8.370 nan 0.000 0.504 585 G N 0.230 109.021 108.800 -0.015 0.000 2.136 585 G HA2 -0.193 3.767 3.960 0.000 0.000 0.242 585 G HA3 -0.193 3.767 3.960 0.000 0.000 0.242 585 G C 0.522 175.404 174.900 -0.030 0.000 0.989 585 G CA 0.079 45.170 45.100 -0.015 0.000 0.682 585 G HN 0.583 nan 8.290 nan 0.000 0.522 586 A N -0.290 122.504 122.820 -0.043 0.000 2.322 586 A HA 0.951 5.271 4.320 0.000 0.000 0.269 586 A C 0.660 178.217 177.584 -0.044 0.000 1.094 586 A CA 0.824 52.820 52.037 -0.068 0.000 0.807 586 A CB 1.034 19.974 19.000 -0.100 0.000 1.047 586 A HN 2.164 nan 8.150 nan 0.000 0.487 587 S N 0.478 116.145 115.700 -0.056 0.000 2.552 587 S HA 0.674 5.144 4.470 0.000 0.000 0.272 587 S C -1.031 173.530 174.600 -0.066 0.000 1.150 587 S CA -0.541 57.633 58.200 -0.043 0.000 0.849 587 S CB 0.705 63.894 63.200 -0.018 0.000 1.113 587 S HN 1.243 nan 8.310 nan 0.000 0.458 588 I N 1.838 122.351 120.570 -0.095 0.000 2.769 588 I HA 0.736 4.906 4.170 0.000 0.000 0.298 588 I C -0.922 175.063 176.117 -0.220 0.000 1.128 588 I CA -0.362 60.852 61.300 -0.142 0.000 1.031 588 I CB 2.270 40.133 38.000 -0.228 0.000 1.235 588 I HN 1.080 nan 8.210 nan 0.000 0.423 589 S N 5.048 120.630 115.700 -0.198 0.000 2.542 589 S HA 0.634 5.104 4.470 0.000 0.000 0.293 589 S C -1.036 173.352 174.600 -0.354 0.000 1.089 589 S CA -0.657 57.376 58.200 -0.279 0.000 0.961 589 S CB 1.380 64.512 63.200 -0.113 0.000 1.062 589 S HN 0.388 nan 8.310 nan 0.000 0.483 590 F N 1.339 121.184 119.950 -0.175 0.000 2.410 590 F HA 0.395 4.922 4.527 0.000 0.000 0.349 590 F C 1.579 177.172 175.800 -0.344 0.000 1.117 590 F CA -0.710 57.065 58.000 -0.374 0.000 1.104 590 F CB 1.881 40.346 39.000 -0.892 0.000 1.122 590 F HN 0.696 nan 8.300 nan 0.000 0.483 591 T N 0.248 114.741 114.554 -0.102 0.000 2.953 591 T HA 0.022 4.372 4.350 0.000 0.000 0.247 591 T C 0.323 174.994 174.700 -0.048 0.000 1.029 591 T CA 0.704 62.755 62.100 -0.081 0.000 1.144 591 T CB 0.099 68.893 68.868 -0.124 0.000 0.870 591 T HN 0.564 nan 8.240 nan 0.000 0.446 592 S N 0.262 115.914 115.700 -0.080 0.000 2.537 592 S HA 0.664 5.134 4.470 0.000 0.000 0.270 592 S C -1.557 173.022 174.600 -0.034 0.000 1.142 592 S CA -1.074 57.116 58.200 -0.017 0.000 0.870 592 S CB 1.348 64.550 63.200 0.005 0.000 1.112 592 S HN 0.251 nan 8.310 nan 0.000 0.466 593 I N 2.443 123.034 120.570 0.035 0.000 2.439 593 I HA 0.411 4.581 4.170 0.000 0.000 0.285 593 I C -0.667 175.616 176.117 0.277 0.000 1.021 593 I CA -0.629 60.697 61.300 0.045 0.000 1.091 593 I CB 1.670 39.573 38.000 -0.161 0.000 1.242 593 I HN 0.705 nan 8.210 nan 0.000 0.439 594 N N 4.968 123.846 118.700 0.297 0.000 2.404 594 N HA 0.619 5.359 4.740 0.000 0.000 0.297 594 N C -1.218 174.394 175.510 0.170 0.000 1.163 594 N CA -0.809 52.422 53.050 0.301 0.000 0.864 594 N CB 2.546 41.135 38.487 0.170 0.000 1.247 594 N HN 0.348 nan 8.380 nan 0.000 0.510 595 L N 1.937 123.052 121.223 -0.181 0.000 2.282 595 L HA 0.468 4.808 4.340 0.000 0.000 0.288 595 L C -1.634 175.073 176.870 -0.272 0.000 1.033 595 L CA -0.307 54.294 54.840 -0.399 0.000 0.807 595 L CB 0.169 41.682 42.059 -0.910 0.000 1.209 595 L HN 0.487 nan 8.230 nan 0.000 0.423 596 Y N 3.788 123.851 120.300 -0.395 0.000 2.446 596 Y HA 0.804 5.354 4.550 0.000 0.000 0.338 596 Y C 0.176 175.866 175.900 -0.349 0.000 1.055 596 Y CA -0.423 57.447 58.100 -0.382 0.000 1.101 596 Y CB 2.146 40.188 38.460 -0.697 0.000 1.221 596 Y HN 0.770 nan 8.280 nan 0.000 0.460 597 A N 1.469 124.337 122.820 0.081 0.000 2.455 597 A HA 0.766 5.087 4.320 0.000 0.000 0.300 597 A C -1.087 176.579 177.584 0.137 0.000 1.040 597 A CA -0.685 51.389 52.037 0.062 0.000 0.697 597 A CB 1.260 20.383 19.000 0.205 0.000 1.265 597 A HN 0.589 nan 8.150 nan 0.000 0.407 598 T N 1.616 116.175 114.554 0.008 0.000 2.856 598 T HA 0.675 5.026 4.350 0.000 0.000 0.283 598 T C -1.214 173.450 174.700 -0.061 0.000 1.008 598 T CA 0.074 62.246 62.100 0.120 0.000 0.997 598 T CB 0.452 69.419 68.868 0.166 0.000 0.992 598 T HN 0.333 nan 8.240 nan 0.000 0.454 599 F N 2.080 122.111 119.950 0.134 0.000 2.460 599 F HA 0.454 4.981 4.527 0.000 0.000 0.341 599 F C 0.060 175.965 175.800 0.175 0.000 1.130 599 F CA -1.560 56.534 58.000 0.156 0.000 0.962 599 F CB 0.864 39.944 39.000 0.133 0.000 1.171 599 F HN 0.549 nan 8.300 nan 0.000 0.436 600 F N 6.815 126.880 119.950 0.192 0.000 2.623 600 F HA 0.137 4.664 4.527 0.000 0.000 0.383 600 F C -1.615 174.295 175.800 0.182 0.000 1.077 600 F CA -1.501 56.591 58.000 0.154 0.000 1.268 600 F CB 0.574 39.641 39.000 0.111 0.000 1.053 600 F HN 0.241 nan 8.300 nan 0.000 0.571 601 P HA 0.030 nan 4.420 nan 0.000 0.225 601 P C -0.343 176.983 177.300 0.043 0.000 1.813 601 P CA -0.019 63.050 63.100 -0.053 0.000 1.013 601 P CB -0.008 31.603 31.700 -0.149 0.000 1.961 602 M N 1.839 121.646 119.600 0.345 0.000 2.238 602 M HA 0.299 4.779 4.480 0.000 0.000 0.350 602 M C 0.366 176.849 176.300 0.305 0.000 1.321 602 M CA -0.237 55.329 55.300 0.443 0.000 1.097 602 M CB 0.712 33.601 32.600 0.481 0.000 1.713 602 M HN 0.195 nan 8.290 nan 0.000 0.455 603 A N 3.707 126.665 122.820 0.229 0.000 2.587 603 A HA -0.079 4.241 4.320 0.000 0.000 0.235 603 A C 0.417 178.157 177.584 0.260 0.000 1.044 603 A CA 0.147 52.277 52.037 0.156 0.000 0.754 603 A CB -0.060 19.018 19.000 0.131 0.000 0.968 603 A HN 1.003 nan 8.150 nan 0.000 0.509 604 H N 2.038 121.158 119.070 0.083 0.000 2.395 604 H HA -0.114 4.442 4.556 0.000 0.000 0.299 604 H C 2.105 177.473 175.328 0.066 0.000 1.070 604 H CA 1.823 57.914 56.048 0.073 0.000 1.356 604 H CB -0.081 29.715 29.762 0.055 0.000 1.401 604 H HN 0.906 nan 8.280 nan 0.000 0.524 605 N N 0.248 119.062 118.700 0.189 0.000 2.084 605 N HA -0.128 4.612 4.740 0.000 0.000 0.190 605 N C 1.600 177.173 175.510 0.106 0.000 1.030 605 N CA 1.870 54.991 53.050 0.120 0.000 0.849 605 N CB -1.007 37.535 38.487 0.091 0.000 1.012 605 N HN 0.176 nan 8.380 nan 0.000 0.423 606 T N 1.032 115.657 114.554 0.120 0.000 2.708 606 T HA 0.035 4.385 4.350 0.000 0.000 0.266 606 T C 2.109 176.869 174.700 0.100 0.000 1.037 606 T CA 1.899 64.061 62.100 0.104 0.000 1.146 606 T CB -0.589 68.351 68.868 0.120 0.000 0.865 606 T HN 0.550 nan 8.240 nan 0.000 0.435 607 A N 0.967 123.865 122.820 0.131 0.000 1.933 607 A HA -0.094 4.226 4.320 0.000 0.000 0.218 607 A C 2.561 180.189 177.584 0.073 0.000 1.175 607 A CA 2.116 54.221 52.037 0.112 0.000 0.628 607 A CB -0.986 18.098 19.000 0.141 0.000 0.814 607 A HN 0.462 nan 8.150 nan 0.000 0.444 608 S N -1.193 114.547 115.700 0.067 0.000 2.368 608 S HA -0.126 4.345 4.470 0.000 0.000 0.224 608 S C 2.059 176.684 174.600 0.043 0.000 1.029 608 S CA 2.119 60.346 58.200 0.046 0.000 0.988 608 S CB -0.570 62.658 63.200 0.047 0.000 0.838 608 S HN 0.586 nan 8.310 nan 0.000 0.462 609 T N 2.618 117.200 114.554 0.047 0.000 2.777 609 T HA -0.025 4.326 4.350 0.000 0.000 0.266 609 T C 1.676 176.395 174.700 0.031 0.000 1.040 609 T CA 1.366 63.488 62.100 0.038 0.000 1.141 609 T CB -0.489 68.403 68.868 0.040 0.000 0.868 609 T HN 0.308 nan 8.240 nan 0.000 0.444 610 L N 1.533 122.778 121.223 0.036 0.000 2.012 610 L HA -0.063 4.277 4.340 0.000 0.000 0.210 610 L C 2.466 179.352 176.870 0.026 0.000 1.073 610 L CA 1.994 56.851 54.840 0.027 0.000 0.748 610 L CB -0.712 41.364 42.059 0.029 0.000 0.891 610 L HN 0.304 nan 8.230 nan 0.000 0.431 611 E N -0.577 119.643 120.200 0.034 0.000 2.049 611 E HA -0.295 4.056 4.350 0.000 0.000 0.198 611 E C 2.052 178.662 176.600 0.018 0.000 1.007 611 E CA 1.469 57.888 56.400 0.031 0.000 0.809 611 E CB -0.246 29.476 29.700 0.037 0.000 0.749 611 E HN 0.606 nan 8.360 nan 0.000 0.450 612 A N 0.993 123.824 122.820 0.018 0.000 1.883 612 A HA -0.205 4.115 4.320 0.000 0.000 0.217 612 A C 2.270 179.858 177.584 0.006 0.000 1.186 612 A CA 1.939 53.983 52.037 0.012 0.000 0.624 612 A CB -0.583 18.427 19.000 0.017 0.000 0.822 612 A HN 0.343 nan 8.150 nan 0.000 0.444 613 M N -0.677 118.929 119.600 0.010 0.000 2.108 613 M HA -0.115 4.365 4.480 0.000 0.000 0.261 613 M C 1.914 178.217 176.300 0.005 0.000 1.066 613 M CA 1.402 56.706 55.300 0.007 0.000 1.107 613 M CB -0.518 32.086 32.600 0.007 0.000 1.356 613 M HN 0.343 nan 8.290 nan 0.000 0.406 614 L N -0.625 120.601 121.223 0.005 0.000 2.465 614 L HA -0.105 4.236 4.340 0.000 0.000 0.224 614 L C 2.190 179.060 176.870 0.001 0.000 1.145 614 L CA 0.572 55.415 54.840 0.005 0.000 0.834 614 L CB -0.462 41.602 42.059 0.007 0.000 0.944 614 L HN 0.262 nan 8.230 nan 0.000 0.451 615 R N -0.277 120.214 120.500 -0.015 0.000 2.297 615 R HA 0.017 4.357 4.340 0.000 0.000 0.197 615 R C 0.571 176.862 176.300 -0.015 0.000 0.943 615 R CA -0.090 55.975 56.100 -0.057 0.000 1.038 615 R CB -0.305 29.940 30.300 -0.093 0.000 0.957 615 R HN 0.386 nan 8.270 nan 0.000 0.484 616 N N 1.618 120.332 118.700 0.023 0.000 2.497 616 N HA -0.058 4.682 4.740 0.000 0.000 0.271 616 N C 0.287 175.852 175.510 0.091 0.000 1.142 616 N CA -0.373 52.705 53.050 0.046 0.000 0.965 616 N CB 0.975 39.473 38.487 0.019 0.000 1.077 616 N HN 0.022 nan 8.380 nan 0.000 0.462 617 D N 0.921 121.376 120.400 0.092 0.000 2.263 617 D HA -0.173 4.467 4.640 0.000 0.000 0.208 617 D C 1.453 177.728 176.300 -0.041 0.000 0.971 617 D CA 1.046 55.033 54.000 -0.021 0.000 0.867 617 D CB -0.332 40.310 40.800 -0.263 0.000 0.929 617 D HN 0.453 nan 8.370 nan 0.000 0.492 618 T N -0.841 113.700 114.554 -0.022 0.000 3.035 618 T HA -0.040 4.310 4.350 0.000 0.000 0.268 618 T C 0.832 175.517 174.700 -0.025 0.000 1.109 618 T CA 0.607 62.690 62.100 -0.030 0.000 1.119 618 T CB -0.293 68.561 68.868 -0.024 0.000 0.900 618 T HN 0.038 nan 8.240 nan 0.000 0.503 619 N N 1.741 120.437 118.700 -0.007 0.000 2.238 619 N HA 0.136 4.876 4.740 0.000 0.000 0.222 619 N C -0.738 174.769 175.510 -0.005 0.000 1.133 619 N CA -0.168 52.875 53.050 -0.011 0.000 0.854 619 N CB 0.213 38.697 38.487 -0.004 0.000 1.041 619 N HN 0.405 nan 8.380 nan 0.000 0.510 620 D N 1.677 122.083 120.400 0.009 0.000 2.548 620 D HA -0.052 4.588 4.640 0.000 0.000 0.231 620 D C 0.749 177.013 176.300 -0.060 0.000 1.142 620 D CA 0.861 54.869 54.000 0.014 0.000 0.866 620 D CB 0.933 41.734 40.800 0.002 0.000 1.190 620 D HN 0.170 nan 8.370 nan 0.000 0.469 621 Q N 0.340 120.096 119.800 -0.073 0.000 2.312 621 Q HA 0.507 4.847 4.340 0.000 0.000 0.236 621 Q C -0.185 175.622 176.000 -0.321 0.000 0.965 621 Q CA -0.431 55.237 55.803 -0.226 0.000 0.894 621 Q CB 1.213 29.866 28.738 -0.141 0.000 1.225 621 Q HN 0.546 nan 8.270 nan 0.000 0.478 622 S N 0.351 115.648 115.700 -0.672 0.000 2.537 622 S HA 0.756 5.226 4.470 0.000 0.000 0.270 622 S C -1.384 172.710 174.600 -0.844 0.000 1.142 622 S CA -0.873 57.024 58.200 -0.506 0.000 0.870 622 S CB 0.873 63.937 63.200 -0.227 0.000 1.112 622 S HN 0.426 nan 8.310 nan 0.000 0.466 623 F N 0.732 120.707 119.950 0.041 0.000 2.581 623 F HA 0.548 5.076 4.527 0.000 0.000 0.311 623 F C -0.336 175.608 175.800 0.240 0.000 1.113 623 F CA -0.776 57.295 58.000 0.119 0.000 0.935 623 F CB 2.055 41.111 39.000 0.094 0.000 1.232 623 F HN 0.503 nan 8.300 nan 0.000 0.445 624 N N 0.897 119.796 118.700 0.332 0.000 2.443 624 N HA 0.212 4.952 4.740 0.000 0.000 0.295 624 N C -1.157 174.344 175.510 -0.014 0.000 1.076 624 N CA -0.689 52.441 53.050 0.134 0.000 0.919 624 N CB 1.042 39.553 38.487 0.040 0.000 1.176 624 N HN 0.578 nan 8.380 nan 0.000 0.487 625 D N 0.262 120.285 120.400 -0.628 0.000 2.488 625 D HA -0.105 4.535 4.640 0.000 0.000 0.238 625 D C 0.829 177.001 176.300 -0.212 0.000 1.138 625 D CA 0.284 53.924 54.000 -0.601 0.000 0.873 625 D CB 0.409 40.639 40.800 -0.949 0.000 1.183 625 D HN 0.446 nan 8.370 nan 0.000 0.458 626 Y N 3.683 123.895 120.300 -0.147 0.000 2.114 626 Y HA -0.200 4.350 4.550 0.000 0.000 0.282 626 Y C 1.735 177.541 175.900 -0.157 0.000 1.165 626 Y CA 1.722 59.751 58.100 -0.118 0.000 1.148 626 Y CB -0.238 38.172 38.460 -0.084 0.000 0.972 626 Y HN 0.562 nan 8.280 nan 0.000 0.504 627 L N -0.095 121.057 121.223 -0.118 0.000 2.072 627 L HA 0.053 4.393 4.340 0.000 0.000 0.205 627 L C 1.397 178.098 176.870 -0.281 0.000 1.079 627 L CA 1.751 56.484 54.840 -0.177 0.000 0.752 627 L CB -0.660 41.355 42.059 -0.073 0.000 0.906 627 L HN 0.183 nan 8.230 nan 0.000 0.436 628 S N -0.326 115.207 115.700 -0.278 0.000 3.667 628 S HA 0.009 4.479 4.470 0.000 0.000 0.405 628 S C -0.080 174.360 174.600 -0.265 0.000 0.913 628 S CA 0.382 58.395 58.200 -0.311 0.000 1.288 628 S CB -1.537 61.425 63.200 -0.397 0.000 0.905 628 S HN 1.058 nan 8.310 nan 0.000 0.550 629 A N 1.086 123.800 122.820 -0.177 0.000 2.594 629 A HA 0.876 5.197 4.320 0.000 0.000 0.295 629 A C -0.270 177.293 177.584 -0.035 0.000 1.071 629 A CA 0.005 51.966 52.037 -0.127 0.000 0.685 629 A CB 1.345 20.269 19.000 -0.127 0.000 1.285 629 A HN 1.664 nan 8.150 nan 0.000 0.405 630 A N 1.945 124.751 122.820 -0.023 0.000 2.276 630 A HA 0.585 4.905 4.320 0.000 0.000 0.300 630 A C -0.191 177.512 177.584 0.197 0.000 1.235 630 A CA -0.554 51.525 52.037 0.071 0.000 0.867 630 A CB -0.097 18.913 19.000 0.016 0.000 1.137 630 A HN 0.702 nan 8.150 nan 0.000 0.527 631 N N 2.822 121.672 118.700 0.250 0.000 2.438 631 N HA 0.484 5.224 4.740 0.000 0.000 0.282 631 N C -0.939 174.798 175.510 0.377 0.000 1.037 631 N CA -0.149 53.137 53.050 0.393 0.000 0.942 631 N CB 1.457 40.229 38.487 0.475 0.000 1.136 631 N HN 0.535 nan 8.380 nan 0.000 0.481 632 M N 2.568 122.426 119.600 0.431 0.000 2.386 632 M HA 0.454 4.934 4.480 0.000 0.000 0.293 632 M C -1.031 175.295 176.300 0.043 0.000 1.120 632 M CA -0.438 54.974 55.300 0.187 0.000 0.909 632 M CB 2.245 35.028 32.600 0.305 0.000 1.661 632 M HN 0.275 nan 8.290 nan 0.000 0.452 633 L N 3.080 124.158 121.223 -0.243 0.000 2.346 633 L HA 0.583 4.924 4.340 0.000 0.000 0.276 633 L C -1.569 175.055 176.870 -0.410 0.000 1.006 633 L CA -0.746 53.977 54.840 -0.196 0.000 0.817 633 L CB 1.792 43.741 42.059 -0.183 0.000 1.272 633 L HN 0.574 nan 8.230 nan 0.000 0.421 634 Y N 2.662 123.000 120.300 0.064 0.000 2.391 634 Y HA 0.406 4.956 4.550 0.000 0.000 0.341 634 Y C -2.150 173.756 175.900 0.009 0.000 0.965 634 Y CA -2.654 55.471 58.100 0.042 0.000 1.067 634 Y CB 1.581 40.070 38.460 0.048 0.000 1.199 634 Y HN 0.371 nan 8.280 nan 0.000 0.450 635 P HA 0.155 nan 4.420 nan 0.000 0.268 635 P C -0.545 176.791 177.300 0.059 0.000 1.204 635 P CA 0.342 63.480 63.100 0.062 0.000 0.768 635 P CB 1.218 32.938 31.700 0.034 0.000 0.842 636 I N 4.692 125.277 120.570 0.025 0.000 2.464 636 I HA 0.260 4.430 4.170 0.000 0.000 0.277 636 I C -2.255 173.858 176.117 -0.007 0.000 1.040 636 I CA -2.784 58.518 61.300 0.004 0.000 1.153 636 I CB 1.489 39.475 38.000 -0.022 0.000 1.274 636 I HN 0.058 nan 8.210 nan 0.000 0.469 637 P HA -0.014 nan 4.420 nan 0.000 0.269 637 P C -0.015 177.278 177.300 -0.011 0.000 1.211 637 P CA -0.176 62.920 63.100 -0.008 0.000 0.781 637 P CB 0.557 32.254 31.700 -0.004 0.000 0.877 638 A N 2.947 125.760 122.820 -0.011 0.000 2.567 638 A HA -0.028 4.292 4.320 0.000 0.000 0.240 638 A C 1.048 178.628 177.584 -0.007 0.000 1.053 638 A CA 0.409 52.441 52.037 -0.008 0.000 0.755 638 A CB -0.998 17.999 19.000 -0.005 0.000 0.978 638 A HN 0.769 nan 8.150 nan 0.000 0.507 639 N N -1.328 117.367 118.700 -0.008 0.000 2.900 639 N HA -0.215 4.525 4.740 0.000 0.000 0.240 639 N C 0.374 175.878 175.510 -0.010 0.000 0.953 639 N CA 1.319 54.365 53.050 -0.007 0.000 0.950 639 N CB -1.883 36.604 38.487 -0.000 0.000 1.102 639 N HN 1.321 nan 8.380 nan 0.000 0.593 640 A N 0.544 123.356 122.820 -0.013 0.000 2.445 640 A HA 0.457 4.777 4.320 0.000 0.000 0.242 640 A C 1.461 179.031 177.584 -0.022 0.000 1.075 640 A CA 1.009 53.039 52.037 -0.013 0.000 0.777 640 A CB 0.323 19.318 19.000 -0.009 0.000 1.013 640 A HN 0.424 nan 8.150 nan 0.000 0.493 641 T N -1.366 113.178 114.554 -0.016 0.000 2.954 641 T HA 0.176 4.526 4.350 0.000 0.000 0.252 641 T C 0.284 174.979 174.700 -0.008 0.000 0.983 641 T CA -0.117 61.971 62.100 -0.020 0.000 0.941 641 T CB -0.012 68.849 68.868 -0.011 0.000 1.141 641 T HN 0.507 nan 8.240 nan 0.000 0.500 642 N N 1.811 120.512 118.700 0.001 0.000 2.417 642 N HA 0.511 5.251 4.740 0.000 0.000 0.274 642 N C -1.440 174.085 175.510 0.024 0.000 0.987 642 N CA -0.273 52.786 53.050 0.015 0.000 0.912 642 N CB 2.495 40.987 38.487 0.008 0.000 1.177 642 N HN 0.074 nan 8.380 nan 0.000 0.490 643 V N 3.992 123.939 119.914 0.055 0.000 2.289 643 V HA 0.304 4.424 4.120 0.000 0.000 0.272 643 V C -2.179 173.960 176.094 0.075 0.000 1.026 643 V CA -1.531 60.800 62.300 0.052 0.000 0.807 643 V CB 1.116 32.960 31.823 0.035 0.000 1.044 643 V HN 0.485 nan 8.190 nan 0.000 0.443 644 P HA 0.517 nan 4.420 nan 0.000 0.284 644 P C -0.609 176.672 177.300 -0.032 0.000 1.253 644 P CA -0.201 62.901 63.100 0.005 0.000 0.800 644 P CB 1.780 33.479 31.700 -0.002 0.000 0.961 645 I N -0.774 119.763 120.570 -0.056 0.000 2.647 645 I HA 0.610 4.781 4.170 0.000 0.000 0.295 645 I C -0.719 175.395 176.117 -0.005 0.000 1.078 645 I CA -0.970 60.268 61.300 -0.103 0.000 1.048 645 I CB 2.572 40.333 38.000 -0.398 0.000 1.239 645 I HN 0.168 nan 8.210 nan 0.000 0.421 646 S N 5.461 121.190 115.700 0.048 0.000 2.537 646 S HA 0.791 5.261 4.470 0.000 0.000 0.301 646 S C -0.610 174.070 174.600 0.133 0.000 1.092 646 S CA -0.706 57.539 58.200 0.074 0.000 1.048 646 S CB 2.059 65.293 63.200 0.057 0.000 1.053 646 S HN 0.536 nan 8.310 nan 0.000 0.501 647 I N 3.092 123.744 120.570 0.137 0.000 2.382 647 I HA 0.389 4.559 4.170 0.000 0.000 0.286 647 I C -2.254 173.909 176.117 0.077 0.000 1.002 647 I CA -2.140 59.234 61.300 0.123 0.000 1.135 647 I CB 1.642 39.766 38.000 0.207 0.000 1.288 647 I HN 0.452 nan 8.210 nan 0.000 0.448 648 P HA 0.030 nan 4.420 nan 0.000 0.270 648 P C -0.066 177.231 177.300 -0.005 0.000 1.223 648 P CA -0.340 62.764 63.100 0.007 0.000 0.785 648 P CB 0.666 32.352 31.700 -0.022 0.000 0.923 649 S N 1.522 117.241 115.700 0.032 0.000 2.563 649 S HA 0.090 4.561 4.470 0.000 0.000 0.294 649 S C 0.384 174.954 174.600 -0.050 0.000 1.279 649 S CA -0.056 58.183 58.200 0.065 0.000 1.069 649 S CB -0.486 62.746 63.200 0.053 0.000 0.828 649 S HN 0.619 nan 8.310 nan 0.000 0.497 650 R N 2.830 123.284 120.500 -0.076 0.000 2.844 650 R HA 0.427 4.767 4.340 0.000 0.000 0.264 650 R C -1.138 175.000 176.300 -0.270 0.000 1.077 650 R CA -1.110 54.812 56.100 -0.297 0.000 0.953 650 R CB 0.338 30.246 30.300 -0.653 0.000 1.272 650 R HN 0.556 nan 8.270 nan 0.000 0.447 651 N N -0.691 117.820 118.700 -0.316 0.000 2.529 651 N HA 0.159 4.899 4.740 0.000 0.000 0.278 651 N C -0.789 174.513 175.510 -0.348 0.000 1.146 651 N CA -0.393 52.554 53.050 -0.172 0.000 0.980 651 N CB 0.570 38.998 38.487 -0.098 0.000 1.124 651 N HN 0.533 nan 8.380 nan 0.000 0.458 652 W N 2.211 123.535 121.300 0.039 0.000 2.870 652 W HA 0.471 5.131 4.660 0.000 0.000 0.358 652 W C 0.493 177.101 176.519 0.147 0.000 1.043 652 W CA -0.513 56.863 57.345 0.052 0.000 1.692 652 W CB -0.133 29.324 29.460 -0.004 0.000 1.100 652 W HN 0.507 nan 8.180 nan 0.000 0.557 653 A N 1.118 124.098 122.820 0.268 0.000 2.584 653 A HA 0.331 4.652 4.320 0.000 0.000 0.239 653 A C 1.568 179.296 177.584 0.240 0.000 1.043 653 A CA 1.367 53.537 52.037 0.221 0.000 0.756 653 A CB -0.186 18.889 19.000 0.125 0.000 0.963 653 A HN 1.183 nan 8.150 nan 0.000 0.511 654 A N 1.698 124.673 122.820 0.259 0.000 3.396 654 A HA -0.210 4.111 4.320 0.000 0.000 0.267 654 A C 0.460 178.280 177.584 0.394 0.000 1.139 654 A CA 1.010 53.227 52.037 0.300 0.000 1.115 654 A CB -2.610 16.509 19.000 0.198 0.000 1.133 654 A HN 2.010 nan 8.150 nan 0.000 0.920 655 F N 1.042 121.128 119.950 0.228 0.000 2.629 655 F HA 0.308 4.835 4.527 0.000 0.000 0.377 655 F C 1.394 177.254 175.800 0.100 0.000 1.101 655 F CA 1.191 59.258 58.000 0.112 0.000 1.301 655 F CB 0.402 39.435 39.000 0.055 0.000 1.062 655 F HN 0.272 nan 8.300 nan 0.000 0.583 656 R N 2.770 122.773 120.500 -0.828 0.000 2.279 656 R HA 0.443 4.784 4.340 0.000 0.000 0.195 656 R C 0.660 176.536 176.300 -0.707 0.000 0.905 656 R CA 0.178 55.950 56.100 -0.547 0.000 1.044 656 R CB 0.420 30.410 30.300 -0.516 0.000 1.056 656 R HN 0.912 nan 8.270 nan 0.000 0.535 657 G N -0.157 107.716 108.800 -1.545 0.000 2.325 657 G HA2 -0.031 3.929 3.960 0.000 0.000 0.285 657 G HA3 -0.031 3.929 3.960 0.000 0.000 0.285 657 G C -1.866 172.508 174.900 -0.877 0.000 1.303 657 G CA -0.964 43.499 45.100 -1.063 0.000 0.970 657 G HN 0.034 nan 8.290 nan 0.000 0.490 658 W N 0.096 121.347 121.300 -0.082 0.000 2.819 658 W HA 0.721 5.382 4.660 0.000 0.000 0.337 658 W C -0.271 176.219 176.519 -0.049 0.000 1.077 658 W CA -0.628 56.697 57.345 -0.033 0.000 1.226 658 W CB 2.378 31.887 29.460 0.082 0.000 1.419 658 W HN 0.621 nan 8.180 nan 0.000 0.502 659 S N 1.585 117.344 115.700 0.098 0.000 2.599 659 S HA 0.855 5.325 4.470 0.000 0.000 0.294 659 S C -1.100 173.488 174.600 -0.020 0.000 1.094 659 S CA -0.496 57.678 58.200 -0.044 0.000 0.931 659 S CB 2.081 65.141 63.200 -0.234 0.000 1.093 659 S HN 0.371 nan 8.310 nan 0.000 0.488 660 F N -1.283 118.508 119.950 -0.264 0.000 2.741 660 F HA 0.849 5.376 4.527 0.000 0.000 0.311 660 F C -0.646 174.910 175.800 -0.407 0.000 1.149 660 F CA -0.641 57.151 58.000 -0.346 0.000 0.930 660 F CB 1.323 40.186 39.000 -0.228 0.000 1.312 660 F HN 0.603 nan 8.300 nan 0.000 0.450 661 T N 0.163 114.620 114.554 -0.161 0.000 2.658 661 T HA 0.496 4.847 4.350 0.000 0.000 0.305 661 T C -2.190 172.728 174.700 0.364 0.000 1.551 661 T CA -0.882 61.160 62.100 -0.097 0.000 0.985 661 T CB 1.952 70.493 68.868 -0.545 0.000 1.731 661 T HN 1.050 nan 8.240 nan 0.000 0.486 662 R N 1.381 122.093 120.500 0.353 0.000 2.621 662 R HA 0.812 5.152 4.340 0.000 0.000 0.292 662 R C -1.367 174.996 176.300 0.105 0.000 0.969 662 R CA -0.661 55.566 56.100 0.211 0.000 0.887 662 R CB 0.989 31.289 30.300 -0.001 0.000 1.180 662 R HN 0.569 nan 8.270 nan 0.000 0.450 663 L N 2.509 123.794 121.223 0.103 0.000 2.323 663 L HA 0.565 4.905 4.340 0.000 0.000 0.265 663 L C -0.393 176.495 176.870 0.030 0.000 1.012 663 L CA -1.209 53.686 54.840 0.091 0.000 0.820 663 L CB 2.139 44.284 42.059 0.145 0.000 1.334 663 L HN 0.477 nan 8.230 nan 0.000 0.427 664 K N 0.036 120.458 120.400 0.037 0.000 2.234 664 K HA 0.233 4.553 4.320 0.000 0.000 0.282 664 K C 0.619 177.214 176.600 -0.008 0.000 1.039 664 K CA -0.347 55.948 56.287 0.014 0.000 0.928 664 K CB 1.477 33.994 32.500 0.027 0.000 1.039 664 K HN 0.549 nan 8.250 nan 0.000 0.470 665 T N 2.335 116.879 114.554 -0.018 0.000 2.759 665 T HA -0.196 4.154 4.350 0.000 0.000 0.269 665 T C 1.624 176.317 174.700 -0.011 0.000 1.042 665 T CA 1.598 63.683 62.100 -0.025 0.000 1.140 665 T CB -0.064 68.786 68.868 -0.030 0.000 0.864 665 T HN 0.644 nan 8.240 nan 0.000 0.455 666 K N 1.465 121.842 120.400 -0.039 0.000 2.283 666 K HA -0.025 4.295 4.320 0.000 0.000 0.202 666 K C 1.443 177.947 176.600 -0.160 0.000 1.048 666 K CA 1.248 57.502 56.287 -0.056 0.000 0.948 666 K CB -0.071 32.378 32.500 -0.086 0.000 0.742 666 K HN 0.325 nan 8.250 nan 0.000 0.458 667 E N 0.999 121.047 120.200 -0.253 0.000 2.444 667 E HA 0.060 4.410 4.350 0.000 0.000 0.191 667 E C -0.654 176.041 176.600 0.158 0.000 1.041 667 E CA 0.002 56.201 56.400 -0.335 0.000 0.883 667 E CB 0.839 30.335 29.700 -0.339 0.000 1.024 667 E HN 0.146 nan 8.360 nan 0.000 0.470 668 T N 3.494 118.118 114.554 0.117 0.000 2.892 668 T HA 0.241 4.592 4.350 0.000 0.000 0.311 668 T C -2.503 172.069 174.700 -0.214 0.000 1.033 668 T CA -1.509 60.560 62.100 -0.052 0.000 0.991 668 T CB 1.641 70.439 68.868 -0.118 0.000 0.981 668 T HN -0.017 nan 8.240 nan 0.000 0.457 669 P HA 0.247 nan 4.420 nan 0.000 0.277 669 P C -0.166 176.873 177.300 -0.434 0.000 1.240 669 P CA -0.440 62.141 63.100 -0.866 0.000 0.798 669 P CB 0.897 31.739 31.700 -1.430 0.000 0.979 670 S N 1.308 116.836 115.700 -0.288 0.000 2.528 670 S HA 0.198 4.668 4.470 0.000 0.000 0.277 670 S C 0.919 175.419 174.600 -0.165 0.000 1.297 670 S CA -0.659 57.423 58.200 -0.196 0.000 1.052 670 S CB -0.597 62.540 63.200 -0.105 0.000 0.917 670 S HN 0.317 nan 8.310 nan 0.000 0.492 671 L N 4.757 125.910 121.223 -0.116 0.000 2.741 671 L HA 0.320 4.660 4.340 0.000 0.000 0.237 671 L C 2.054 178.930 176.870 0.009 0.000 1.178 671 L CA -0.125 54.703 54.840 -0.019 0.000 0.973 671 L CB -0.557 41.524 42.059 0.037 0.000 1.255 671 L HN 0.850 nan 8.230 nan 0.000 0.498 672 G N 0.270 109.054 108.800 -0.028 0.000 2.776 672 G HA2 0.003 3.963 3.960 0.000 0.000 0.209 672 G HA3 0.003 3.963 3.960 0.000 0.000 0.209 672 G C 0.575 175.467 174.900 -0.013 0.000 1.145 672 G CA 0.863 45.951 45.100 -0.019 0.000 0.791 672 G HN 0.502 nan 8.290 nan 0.000 0.530 673 S N -3.772 111.927 115.700 -0.001 0.000 2.656 673 S HA 0.479 4.950 4.470 0.000 0.000 0.265 673 S C 1.195 175.805 174.600 0.016 0.000 1.132 673 S CA 0.331 58.516 58.200 -0.025 0.000 0.819 673 S CB 0.670 63.837 63.200 -0.055 0.000 1.119 673 S HN 0.478 nan 8.310 nan 0.000 0.476 674 G N 0.037 108.767 108.800 -0.117 0.000 2.475 674 G HA2 0.148 4.109 3.960 0.000 0.000 0.220 674 G HA3 0.148 4.109 3.960 0.000 0.000 0.220 674 G C 0.067 175.057 174.900 0.149 0.000 1.125 674 G CA 1.465 46.477 45.100 -0.146 0.000 0.755 674 G HN 0.942 nan 8.290 nan 0.000 0.565 675 F N -0.325 119.533 119.950 -0.153 0.000 2.608 675 F HA 0.499 5.026 4.527 0.000 0.000 0.309 675 F C -2.198 173.591 175.800 -0.019 0.000 1.103 675 F CA -1.867 56.113 58.000 -0.033 0.000 0.954 675 F CB 2.263 41.213 39.000 -0.083 0.000 1.267 675 F HN -0.127 nan 8.300 nan 0.000 0.444 676 D N 7.325 127.276 120.400 -0.748 0.000 2.460 676 D HA 0.414 5.055 4.640 0.000 0.000 0.232 676 D C -1.942 173.943 176.300 -0.692 0.000 1.079 676 D CA -2.524 51.181 54.000 -0.491 0.000 0.864 676 D CB 1.940 42.600 40.800 -0.233 0.000 1.048 676 D HN 0.243 nan 8.370 nan 0.000 0.523 677 P HA -0.108 nan 4.420 nan 0.000 0.223 677 P C 0.872 177.998 177.300 -0.290 0.000 1.151 677 P CA 0.825 63.699 63.100 -0.376 0.000 0.787 677 P CB 0.065 31.568 31.700 -0.327 0.000 0.788 678 Y N -2.154 118.124 120.300 -0.036 0.000 2.546 678 Y HA 0.096 4.646 4.550 0.000 0.000 0.287 678 Y C 1.130 177.085 175.900 0.092 0.000 1.158 678 Y CA -0.509 57.602 58.100 0.020 0.000 1.307 678 Y CB -0.407 38.060 38.460 0.012 0.000 1.036 678 Y HN -0.178 nan 8.280 nan 0.000 0.532 679 F N 1.867 121.822 119.950 0.008 0.000 2.464 679 F HA 0.265 4.792 4.527 0.000 0.000 0.353 679 F C 0.512 176.345 175.800 0.054 0.000 1.191 679 F CA -1.655 56.360 58.000 0.025 0.000 1.147 679 F CB 0.235 39.218 39.000 -0.029 0.000 1.294 679 F HN -0.137 nan 8.300 nan 0.000 0.583 680 V N 4.632 124.476 119.914 -0.117 0.000 2.802 680 V HA 0.382 4.502 4.120 0.000 0.000 0.350 680 V C -1.126 174.875 176.094 -0.155 0.000 1.233 680 V CA -0.654 61.575 62.300 -0.118 0.000 1.337 680 V CB -1.026 30.792 31.823 -0.009 0.000 1.497 680 V HN 0.615 nan 8.190 nan 0.000 0.616 681 Y N 0.766 120.688 120.300 -0.631 0.000 2.544 681 Y HA 0.667 5.217 4.550 0.000 0.000 0.342 681 Y C 0.268 175.825 175.900 -0.571 0.000 1.062 681 Y CA 0.085 57.886 58.100 -0.498 0.000 1.023 681 Y CB 2.506 40.715 38.460 -0.418 0.000 1.308 681 Y HN 0.177 nan 8.280 nan 0.000 0.457 682 S N 1.761 116.902 115.700 -0.932 0.000 2.952 682 S HA 0.451 4.921 4.470 0.000 0.000 0.251 682 S C 0.411 174.619 174.600 -0.654 0.000 1.021 682 S CA -0.035 57.804 58.200 -0.601 0.000 1.067 682 S CB 0.018 63.048 63.200 -0.283 0.000 1.002 682 S HN 1.018 nan 8.310 nan 0.000 0.574 683 G N 2.210 110.174 108.800 -1.393 0.000 2.504 683 G HA2 0.471 4.431 3.960 0.000 0.000 0.257 683 G HA3 0.471 4.431 3.960 0.000 0.000 0.257 683 G C 0.139 175.020 174.900 -0.031 0.000 1.451 683 G CA -0.059 44.735 45.100 -0.509 0.000 1.059 683 G HN 0.738 nan 8.290 nan 0.000 0.550 684 S N -1.370 114.461 115.700 0.218 0.000 2.585 684 S HA 0.418 4.889 4.470 0.000 0.000 0.273 684 S C -0.115 174.702 174.600 0.361 0.000 1.339 684 S CA -0.426 57.908 58.200 0.223 0.000 1.028 684 S CB 0.741 64.034 63.200 0.156 0.000 0.906 684 S HN 0.371 nan 8.310 nan 0.000 0.528 685 I N 3.569 124.295 120.570 0.259 0.000 2.555 685 I HA 0.285 4.455 4.170 0.000 0.000 0.275 685 I C -2.001 174.205 176.117 0.148 0.000 1.082 685 I CA -2.280 59.199 61.300 0.297 0.000 1.167 685 I CB 1.724 39.903 38.000 0.298 0.000 1.312 685 I HN 0.470 nan 8.210 nan 0.000 0.493 686 P HA -0.265 nan 4.420 nan 0.000 0.216 686 P C 1.617 178.856 177.300 -0.102 0.000 1.154 686 P CA 1.534 64.557 63.100 -0.129 0.000 0.865 686 P CB 0.056 31.823 31.700 0.111 0.000 0.789 687 Y N -0.175 120.181 120.300 0.094 0.000 2.132 687 Y HA -0.266 4.284 4.550 0.000 0.000 0.280 687 Y C 1.790 177.723 175.900 0.055 0.000 1.193 687 Y CA 1.582 59.732 58.100 0.084 0.000 1.157 687 Y CB -0.697 37.695 38.460 -0.114 0.000 0.966 687 Y HN -0.161 nan 8.280 nan 0.000 0.511 688 L N -0.185 121.057 121.223 0.031 0.000 2.253 688 L HA 0.019 4.359 4.340 0.000 0.000 0.205 688 L C 1.524 178.347 176.870 -0.079 0.000 1.078 688 L CA 1.915 56.740 54.840 -0.025 0.000 0.805 688 L CB -0.721 41.400 42.059 0.103 0.000 0.963 688 L HN 0.513 nan 8.230 nan 0.000 0.459 689 D N -2.675 117.648 120.400 -0.130 0.000 2.433 689 D HA 0.229 4.870 4.640 0.000 0.000 0.211 689 D C 1.421 177.530 176.300 -0.319 0.000 1.114 689 D CA 0.673 54.579 54.000 -0.156 0.000 0.837 689 D CB 0.228 40.975 40.800 -0.088 0.000 0.984 689 D HN 0.159 nan 8.370 nan 0.000 0.505 690 G N 0.671 109.115 108.800 -0.593 0.000 2.143 690 G HA2 -0.283 3.678 3.960 0.000 0.000 0.249 690 G HA3 -0.283 3.678 3.960 0.000 0.000 0.249 690 G C 0.661 175.062 174.900 -0.833 0.000 0.981 690 G CA 0.549 45.096 45.100 -0.920 0.000 0.665 690 G HN 0.709 nan 8.290 nan 0.000 0.528 691 T N -0.548 113.551 114.554 -0.758 0.000 3.607 691 T HA 0.575 4.925 4.350 0.000 0.000 0.225 691 T C 0.594 175.212 174.700 -0.137 0.000 0.904 691 T CA -0.593 61.065 62.100 -0.737 0.000 0.962 691 T CB -0.689 67.573 68.868 -1.010 0.000 1.221 691 T HN 0.299 nan 8.240 nan 0.000 0.641 692 F N 2.344 122.425 119.950 0.218 0.000 2.506 692 F HA 0.324 4.851 4.527 0.000 0.000 0.351 692 F C 1.099 177.177 175.800 0.464 0.000 1.136 692 F CA -0.759 57.401 58.000 0.266 0.000 1.298 692 F CB 0.491 39.554 39.000 0.105 0.000 1.145 692 F HN 0.529 nan 8.300 nan 0.000 0.593 693 Y N -0.577 119.997 120.300 0.457 0.000 3.024 693 Y HA 0.420 4.970 4.550 0.000 0.000 0.283 693 Y C -0.413 175.681 175.900 0.324 0.000 1.040 693 Y CA -0.428 57.907 58.100 0.391 0.000 1.283 693 Y CB -0.785 37.911 38.460 0.393 0.000 1.367 693 Y HN 0.396 nan 8.280 nan 0.000 0.589 694 L N 1.073 122.203 121.223 -0.155 0.000 3.066 694 L HA 0.340 4.680 4.340 0.000 0.000 0.265 694 L C 0.884 177.658 176.870 -0.160 0.000 1.232 694 L CA -0.084 54.591 54.840 -0.275 0.000 1.031 694 L CB 0.089 41.934 42.059 -0.356 0.000 1.379 694 L HN 0.224 nan 8.230 nan 0.000 0.563 695 N N 0.456 119.196 118.700 0.067 0.000 2.331 695 N HA -0.146 4.594 4.740 0.000 0.000 0.180 695 N C 1.756 177.662 175.510 0.661 0.000 1.019 695 N CA 1.040 54.237 53.050 0.245 0.000 0.881 695 N CB -0.068 38.196 38.487 -0.372 0.000 0.972 695 N HN 0.577 nan 8.380 nan 0.000 0.435 696 H N 0.004 119.311 119.070 0.395 0.000 2.545 696 H HA 0.028 4.585 4.556 0.000 0.000 0.282 696 H C 1.194 176.575 175.328 0.089 0.000 1.020 696 H CA 1.387 57.486 56.048 0.086 0.000 1.243 696 H CB -0.655 28.913 29.762 -0.323 0.000 1.377 696 H HN 0.138 nan 8.280 nan 0.000 0.581 697 T N -2.234 112.139 114.554 -0.301 0.000 3.169 697 T HA 0.107 4.457 4.350 0.000 0.000 0.250 697 T C 0.129 174.740 174.700 -0.149 0.000 1.111 697 T CA -0.521 61.435 62.100 -0.240 0.000 1.010 697 T CB -0.828 67.808 68.868 -0.386 0.000 0.984 697 T HN 0.044 nan 8.240 nan 0.000 0.537 698 F N 1.622 121.659 119.950 0.144 0.000 2.404 698 F HA 0.517 5.044 4.527 0.000 0.000 0.345 698 F C 1.476 177.294 175.800 0.030 0.000 1.110 698 F CA -0.946 57.142 58.000 0.147 0.000 1.130 698 F CB 1.676 40.855 39.000 0.298 0.000 1.129 698 F HN -0.114 nan 8.300 nan 0.000 0.500 699 K N 1.995 122.478 120.400 0.139 0.000 2.214 699 K HA 0.131 4.451 4.320 0.000 0.000 0.201 699 K C -0.330 176.248 176.600 -0.037 0.000 1.049 699 K CA 0.508 56.821 56.287 0.044 0.000 0.978 699 K CB 0.382 32.899 32.500 0.029 0.000 0.842 699 K HN 0.595 nan 8.250 nan 0.000 0.474 700 K N -0.357 120.035 120.400 -0.012 0.000 2.622 700 K HA 0.336 4.656 4.320 0.000 0.000 0.273 700 K C -1.377 175.139 176.600 -0.141 0.000 0.957 700 K CA -0.921 55.301 56.287 -0.109 0.000 0.861 700 K CB 1.723 34.174 32.500 -0.082 0.000 1.405 700 K HN -0.192 nan 8.250 nan 0.000 0.406 701 V N 0.442 120.200 119.914 -0.261 0.000 2.656 701 V HA 0.705 4.825 4.120 0.000 0.000 0.307 701 V C -0.544 175.371 176.094 -0.298 0.000 1.051 701 V CA -0.680 61.299 62.300 -0.536 0.000 0.893 701 V CB 1.483 32.783 31.823 -0.871 0.000 0.999 701 V HN 0.958 nan 8.190 nan 0.000 0.426 702 S N 3.996 119.478 115.700 -0.362 0.000 2.542 702 S HA 0.878 5.349 4.470 0.000 0.000 0.293 702 S C -1.020 173.422 174.600 -0.262 0.000 1.089 702 S CA -0.708 57.379 58.200 -0.190 0.000 0.961 702 S CB 1.815 64.931 63.200 -0.140 0.000 1.062 702 S HN 0.598 nan 8.310 nan 0.000 0.483 703 I N 1.983 122.474 120.570 -0.132 0.000 2.466 703 I HA 0.425 4.595 4.170 0.000 0.000 0.289 703 I C -0.844 175.235 176.117 -0.063 0.000 1.026 703 I CA -0.509 60.676 61.300 -0.192 0.000 1.078 703 I CB 2.547 40.420 38.000 -0.212 0.000 1.249 703 I HN 0.682 nan 8.210 nan 0.000 0.429 704 T N 5.728 120.184 114.554 -0.164 0.000 3.008 704 T HA 0.437 4.787 4.350 0.000 0.000 0.328 704 T C -0.413 174.201 174.700 -0.144 0.000 1.020 704 T CA -0.429 61.635 62.100 -0.060 0.000 1.043 704 T CB 0.250 69.094 68.868 -0.039 0.000 1.010 704 T HN 0.085 nan 8.240 nan 0.000 0.466 705 F N 2.695 122.643 119.950 -0.004 0.000 2.529 705 F HA 0.181 4.708 4.527 0.000 0.000 0.365 705 F C 1.198 177.001 175.800 0.004 0.000 1.102 705 F CA 0.113 58.074 58.000 -0.065 0.000 1.271 705 F CB 0.284 39.182 39.000 -0.169 0.000 1.120 705 F HN 0.575 nan 8.300 nan 0.000 0.579 706 D N 1.481 121.991 120.400 0.185 0.000 2.699 706 D HA -0.210 4.430 4.640 0.000 0.000 0.239 706 D C 0.681 177.045 176.300 0.107 0.000 1.136 706 D CA 0.952 55.055 54.000 0.171 0.000 0.668 706 D CB -1.335 39.601 40.800 0.227 0.000 1.060 706 D HN 0.761 nan 8.370 nan 0.000 0.429 707 S N -1.892 113.847 115.700 0.064 0.000 3.228 707 S HA -0.299 4.171 4.470 0.000 0.000 0.352 707 S C 1.071 175.699 174.600 0.048 0.000 0.856 707 S CA 1.343 59.566 58.200 0.039 0.000 1.263 707 S CB -1.345 61.872 63.200 0.029 0.000 0.842 707 S HN 0.980 nan 8.310 nan 0.000 0.446 708 S N -2.826 112.915 115.700 0.067 0.000 2.391 708 S HA 0.299 4.770 4.470 0.000 0.000 0.275 708 S C -0.173 174.471 174.600 0.073 0.000 1.032 708 S CA 0.321 58.557 58.200 0.061 0.000 1.421 708 S CB 0.461 63.697 63.200 0.061 0.000 1.176 708 S HN 0.662 nan 8.310 nan 0.000 0.615 709 V N 3.009 122.989 119.914 0.110 0.000 2.326 709 V HA 0.623 4.743 4.120 0.000 0.000 0.281 709 V C 0.134 176.342 176.094 0.189 0.000 1.015 709 V CA -0.503 61.875 62.300 0.130 0.000 0.823 709 V CB 0.988 32.892 31.823 0.135 0.000 1.009 709 V HN 0.461 nan 8.190 nan 0.000 0.436 710 S N 4.892 120.671 115.700 0.132 0.000 2.531 710 S HA 0.348 4.818 4.470 0.000 0.000 0.279 710 S C -0.860 173.880 174.600 0.232 0.000 1.305 710 S CA -0.263 58.020 58.200 0.138 0.000 1.058 710 S CB 0.247 63.469 63.200 0.037 0.000 0.899 710 S HN 0.648 nan 8.310 nan 0.000 0.493 711 W N 7.125 128.531 121.300 0.178 0.000 2.529 711 W HA 0.484 5.144 4.660 0.000 0.000 0.321 711 W C -1.891 174.791 176.519 0.272 0.000 1.047 711 W CA -2.160 55.355 57.345 0.283 0.000 1.216 711 W CB 1.667 31.472 29.460 0.574 0.000 1.357 711 W HN 0.546 nan 8.180 nan 0.000 0.489 712 P HA 0.069 nan 4.420 nan 0.000 0.231 712 P C 1.000 177.974 177.300 -0.544 0.000 1.168 712 P CA 1.591 63.889 63.100 -1.335 0.000 0.779 712 P CB 0.348 31.324 31.700 -1.207 0.000 0.844 713 G N 1.423 110.035 108.800 -0.312 0.000 2.596 713 G HA2 -0.376 3.584 3.960 0.000 0.000 0.295 713 G HA3 -0.376 3.584 3.960 0.000 0.000 0.295 713 G C 0.399 175.176 174.900 -0.205 0.000 1.240 713 G CA 0.473 45.466 45.100 -0.178 0.000 0.985 713 G HN 0.305 nan 8.290 nan 0.000 0.555 714 N N 0.299 118.913 118.700 -0.144 0.000 2.681 714 N HA -0.182 4.558 4.740 0.000 0.000 0.250 714 N C 0.676 176.115 175.510 -0.118 0.000 1.133 714 N CA 2.267 55.239 53.050 -0.130 0.000 0.732 714 N CB -0.760 37.631 38.487 -0.159 0.000 1.107 714 N HN 1.197 nan 8.380 nan 0.000 0.559 715 D N -1.989 118.343 120.400 -0.113 0.000 2.911 715 D HA -0.223 4.417 4.640 0.000 0.000 0.227 715 D C 1.170 177.410 176.300 -0.099 0.000 1.164 715 D CA 0.837 54.781 54.000 -0.094 0.000 0.782 715 D CB -0.206 40.553 40.800 -0.067 0.000 1.094 715 D HN 0.419 nan 8.370 nan 0.000 0.425 716 R N -0.536 119.886 120.500 -0.130 0.000 2.075 716 R HA 0.110 4.451 4.340 0.000 0.000 0.226 716 R C 1.271 177.525 176.300 -0.077 0.000 1.114 716 R CA 0.528 56.570 56.100 -0.097 0.000 0.972 716 R CB -0.045 30.179 30.300 -0.126 0.000 0.869 716 R HN 0.304 nan 8.270 nan 0.000 0.437 717 L N 0.988 122.128 121.223 -0.138 0.000 2.399 717 L HA 0.184 4.525 4.340 0.000 0.000 0.265 717 L C 1.938 178.711 176.870 -0.161 0.000 1.089 717 L CA -0.462 54.281 54.840 -0.162 0.000 0.802 717 L CB 0.716 42.612 42.059 -0.271 0.000 1.180 717 L HN -0.044 nan 8.230 nan 0.000 0.454 718 L N 0.637 121.735 121.223 -0.209 0.000 2.013 718 L HA -0.134 4.206 4.340 0.000 0.000 0.212 718 L C 1.193 177.961 176.870 -0.171 0.000 1.073 718 L CA 1.496 56.157 54.840 -0.299 0.000 0.753 718 L CB -0.409 41.256 42.059 -0.658 0.000 0.890 718 L HN 0.789 nan 8.230 nan 0.000 0.432 719 T N -3.555 110.918 114.554 -0.134 0.000 3.029 719 T HA 0.317 4.668 4.350 0.000 0.000 0.346 719 T C -2.079 172.545 174.700 -0.128 0.000 1.211 719 T CA -1.950 60.115 62.100 -0.058 0.000 1.009 719 T CB 1.118 69.981 68.868 -0.008 0.000 1.084 719 T HN -0.072 nan 8.240 nan 0.000 0.536 720 P HA 0.048 nan 4.420 nan 0.000 0.245 720 P C 1.002 178.189 177.300 -0.189 0.000 1.212 720 P CA 0.319 63.316 63.100 -0.171 0.000 0.774 720 P CB 0.079 31.705 31.700 -0.124 0.000 0.999 721 N N -0.066 118.548 118.700 -0.144 0.000 2.236 721 N HA 0.003 4.743 4.740 0.000 0.000 0.196 721 N C 0.210 175.642 175.510 -0.130 0.000 1.114 721 N CA 0.142 53.123 53.050 -0.115 0.000 0.859 721 N CB 0.404 38.849 38.487 -0.069 0.000 0.982 721 N HN 0.291 nan 8.380 nan 0.000 0.493 722 E N -0.636 119.452 120.200 -0.186 0.000 2.437 722 E HA 0.279 4.630 4.350 0.000 0.000 0.280 722 E C -1.738 174.702 176.600 -0.268 0.000 1.044 722 E CA -0.848 55.458 56.400 -0.156 0.000 0.826 722 E CB 0.425 30.069 29.700 -0.093 0.000 1.358 722 E HN -0.142 nan 8.360 nan 0.000 0.459 723 F N 1.191 121.077 119.950 -0.106 0.000 2.350 723 F HA 0.287 4.814 4.527 0.000 0.000 0.365 723 F C 0.539 176.227 175.800 -0.187 0.000 1.122 723 F CA -0.409 57.550 58.000 -0.068 0.000 1.139 723 F CB 1.248 40.265 39.000 0.029 0.000 1.220 723 F HN 0.441 nan 8.300 nan 0.000 0.499 724 E N 2.921 123.108 120.200 -0.022 0.000 2.194 724 E HA 0.274 4.624 4.350 0.000 0.000 0.284 724 E C 0.460 176.946 176.600 -0.190 0.000 1.035 724 E CA -0.188 56.158 56.400 -0.089 0.000 0.836 724 E CB 0.793 30.481 29.700 -0.020 0.000 1.070 724 E HN 0.601 nan 8.360 nan 0.000 0.401 725 I N 4.440 124.745 120.570 -0.441 0.000 2.494 725 I HA -0.027 4.143 4.170 0.000 0.000 0.250 725 I C 0.378 176.354 176.117 -0.235 0.000 1.112 725 I CA 0.992 61.763 61.300 -0.881 0.000 1.438 725 I CB 0.004 37.376 38.000 -1.046 0.000 1.111 725 I HN 0.475 nan 8.210 nan 0.000 0.431 726 K N -0.019 120.358 120.400 -0.038 0.000 2.575 726 K HA 0.643 4.963 4.320 0.000 0.000 0.279 726 K C -0.962 175.700 176.600 0.103 0.000 0.969 726 K CA -0.886 55.482 56.287 0.135 0.000 0.868 726 K CB 2.038 34.726 32.500 0.315 0.000 1.457 726 K HN -0.207 nan 8.250 nan 0.000 0.426 727 R N 0.650 121.227 120.500 0.128 0.000 2.628 727 R HA 0.263 4.603 4.340 0.000 0.000 0.288 727 R C 0.483 176.841 176.300 0.097 0.000 0.980 727 R CA -0.402 55.756 56.100 0.097 0.000 0.891 727 R CB 2.195 32.554 30.300 0.098 0.000 1.188 727 R HN 1.015 nan 8.270 nan 0.000 0.450 728 T N -1.464 113.134 114.554 0.073 0.000 2.904 728 T HA -0.009 4.341 4.350 0.000 0.000 0.243 728 T C 0.957 175.686 174.700 0.048 0.000 1.024 728 T CA 0.289 62.429 62.100 0.067 0.000 1.158 728 T CB -0.039 68.865 68.868 0.059 0.000 0.867 728 T HN 0.268 nan 8.240 nan 0.000 0.429 729 V N 2.810 122.743 119.914 0.033 0.000 2.397 729 V HA 0.434 4.555 4.120 0.000 0.000 0.262 729 V C -0.910 175.187 176.094 0.005 0.000 1.047 729 V CA -0.244 62.065 62.300 0.015 0.000 1.003 729 V CB 0.004 31.831 31.823 0.006 0.000 1.037 729 V HN 0.594 nan 8.190 nan 0.000 0.480 730 D N 4.523 124.921 120.400 -0.003 0.000 2.607 730 D HA 0.475 5.116 4.640 0.000 0.000 0.318 730 D C 1.057 177.312 176.300 -0.075 0.000 1.212 730 D CA 0.407 54.391 54.000 -0.027 0.000 0.861 730 D CB 0.748 41.561 40.800 0.022 0.000 1.064 730 D HN 0.554 nan 8.370 nan 0.000 0.500 731 G N 0.912 109.647 108.800 -0.107 0.000 2.394 731 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 731 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 731 G C 1.238 176.032 174.900 -0.176 0.000 1.176 731 G CA 0.348 45.379 45.100 -0.114 0.000 0.786 731 G HN 0.363 nan 8.290 nan 0.000 0.533 732 E N -0.069 119.916 120.200 -0.358 0.000 2.331 732 E HA 0.187 4.537 4.350 0.000 0.000 0.199 732 E C 1.754 178.165 176.600 -0.316 0.000 1.008 732 E CA 0.872 56.999 56.400 -0.455 0.000 0.843 732 E CB -0.258 28.875 29.700 -0.945 0.000 0.761 732 E HN 0.533 nan 8.360 nan 0.000 0.507 733 G N -0.802 107.857 108.800 -0.235 0.000 2.145 733 G HA2 -0.249 3.711 3.960 0.000 0.000 0.176 733 G HA3 -0.249 3.711 3.960 0.000 0.000 0.176 733 G C 0.215 175.201 174.900 0.143 0.000 1.013 733 G CA -0.030 45.053 45.100 -0.030 0.000 0.689 733 G HN 0.159 nan 8.290 nan 0.000 0.506 734 Y N 0.765 121.087 120.300 0.036 0.000 2.544 734 Y HA 0.179 4.729 4.550 0.000 0.000 0.286 734 Y C 1.671 177.598 175.900 0.046 0.000 1.141 734 Y CA -0.449 57.675 58.100 0.040 0.000 1.299 734 Y CB -0.234 38.248 38.460 0.036 0.000 1.030 734 Y HN 0.263 nan 8.280 nan 0.000 0.543 735 N N 0.012 118.828 118.700 0.193 0.000 2.371 735 N HA 0.193 4.933 4.740 0.000 0.000 0.243 735 N C -0.419 175.149 175.510 0.097 0.000 1.287 735 N CA 0.143 53.278 53.050 0.142 0.000 0.911 735 N CB 1.433 39.999 38.487 0.132 0.000 1.142 735 N HN -0.092 nan 8.380 nan 0.000 0.451 736 V N -0.467 119.476 119.914 0.049 0.000 3.114 736 V HA 0.559 4.679 4.120 0.000 0.000 0.308 736 V C -0.482 175.566 176.094 -0.076 0.000 1.168 736 V CA 0.028 62.298 62.300 -0.050 0.000 1.015 736 V CB 1.529 33.253 31.823 -0.164 0.000 1.050 736 V HN 0.856 nan 8.190 nan 0.000 0.433 737 A N 3.619 126.365 122.820 -0.123 0.000 2.905 737 A HA -0.217 4.103 4.320 0.000 0.000 0.260 737 A C 0.677 178.269 177.584 0.014 0.000 1.398 737 A CA 1.681 53.663 52.037 -0.091 0.000 0.840 737 A CB -2.324 16.585 19.000 -0.151 0.000 1.059 737 A HN 1.646 nan 8.150 nan 0.000 0.647 738 Q N -4.155 115.661 119.800 0.028 0.000 2.494 738 Q HA -0.279 4.061 4.340 0.000 0.000 0.272 738 Q C 0.448 176.499 176.000 0.085 0.000 1.145 738 Q CA 1.242 57.074 55.803 0.048 0.000 0.943 738 Q CB -2.719 26.037 28.738 0.029 0.000 1.338 738 Q HN 2.159 nan 8.270 nan 0.000 0.492 739 C N -2.656 116.722 119.300 0.131 0.000 3.274 739 C HA 0.627 5.087 4.460 0.000 0.000 0.371 739 C C 1.072 176.200 174.990 0.231 0.000 2.432 739 C CA -0.151 58.991 59.018 0.206 0.000 1.291 739 C CB 0.818 28.728 27.740 0.284 0.000 2.851 739 C HN 0.469 nan 8.230 nan 0.000 0.456 740 N N 0.425 119.319 118.700 0.322 0.000 2.230 740 N HA 0.125 4.865 4.740 0.000 0.000 0.202 740 N C 0.097 175.802 175.510 0.325 0.000 1.119 740 N CA -0.156 53.063 53.050 0.282 0.000 0.851 740 N CB -0.233 38.404 38.487 0.250 0.000 0.990 740 N HN 0.913 nan 8.380 nan 0.000 0.497 741 M N 1.899 121.710 119.600 0.352 0.000 2.233 741 M HA 0.120 4.600 4.480 0.000 0.000 0.350 741 M C -0.027 176.373 176.300 0.166 0.000 1.176 741 M CA -0.242 55.196 55.300 0.230 0.000 1.150 741 M CB 0.810 33.437 32.600 0.044 0.000 1.530 741 M HN 0.225 nan 8.290 nan 0.000 0.459 742 T N 1.646 116.295 114.554 0.158 0.000 2.849 742 T HA 0.308 4.659 4.350 0.000 0.000 0.284 742 T C 0.728 175.503 174.700 0.126 0.000 1.004 742 T CA -0.652 61.535 62.100 0.146 0.000 1.021 742 T CB 1.134 70.081 68.868 0.131 0.000 1.013 742 T HN 0.834 nan 8.240 nan 0.000 0.527 743 K N 0.348 120.800 120.400 0.087 0.000 2.097 743 K HA -0.111 4.209 4.320 0.000 0.000 0.206 743 K C 1.792 178.430 176.600 0.065 0.000 1.049 743 K CA 1.513 57.839 56.287 0.065 0.000 0.933 743 K CB -0.142 32.386 32.500 0.047 0.000 0.717 743 K HN 0.584 nan 8.250 nan 0.000 0.442 744 D N 0.137 120.546 120.400 0.016 0.000 2.092 744 D HA -0.221 4.419 4.640 0.000 0.000 0.193 744 D C 1.454 177.774 176.300 0.033 0.000 0.994 744 D CA 0.866 54.864 54.000 -0.003 0.000 0.828 744 D CB -0.283 40.502 40.800 -0.025 0.000 0.963 744 D HN 0.355 nan 8.370 nan 0.000 0.450 745 W N 0.324 121.543 121.300 -0.135 0.000 2.358 745 W HA -0.246 4.414 4.660 0.000 0.000 0.303 745 W C 2.071 178.405 176.519 -0.309 0.000 1.208 745 W CA 0.475 57.686 57.345 -0.223 0.000 1.274 745 W CB -0.440 28.866 29.460 -0.257 0.000 1.138 745 W HN -0.079 nan 8.180 nan 0.000 0.515 746 F N 1.133 120.902 119.950 -0.302 0.000 2.095 746 F HA -0.272 4.255 4.527 0.000 0.000 0.298 746 F C 2.345 177.852 175.800 -0.488 0.000 1.104 746 F CA 1.974 59.677 58.000 -0.495 0.000 1.232 746 F CB -1.094 37.634 39.000 -0.453 0.000 0.987 746 F HN -0.157 nan 8.300 nan 0.000 0.475 747 L N 0.021 121.122 121.223 -0.204 0.000 1.970 747 L HA -0.191 4.149 4.340 0.000 0.000 0.212 747 L C 2.302 178.945 176.870 -0.379 0.000 1.071 747 L CA 1.916 56.698 54.840 -0.096 0.000 0.751 747 L CB -1.208 40.868 42.059 0.028 0.000 0.889 747 L HN 0.049 nan 8.230 nan 0.000 0.432 748 V N -0.111 119.481 119.914 -0.537 0.000 2.332 748 V HA -0.304 3.816 4.120 0.000 0.000 0.248 748 V C 2.670 178.289 176.094 -0.791 0.000 1.055 748 V CA 1.911 63.758 62.300 -0.754 0.000 1.038 748 V CB -0.804 30.497 31.823 -0.869 0.000 0.651 748 V HN 0.567 nan 8.190 nan 0.000 0.450 749 Q N -1.351 117.813 119.800 -1.060 0.000 2.137 749 Q HA 0.011 4.352 4.340 0.000 0.000 0.198 749 Q C 2.249 177.819 176.000 -0.716 0.000 0.960 749 Q CA 1.035 56.199 55.803 -1.064 0.000 0.847 749 Q CB -0.318 27.328 28.738 -1.820 0.000 0.915 749 Q HN 0.494 nan 8.270 nan 0.000 0.448 750 M N 0.267 119.458 119.600 -0.682 0.000 2.132 750 M HA -0.076 4.404 4.480 0.000 0.000 0.263 750 M C 2.329 178.536 176.300 -0.156 0.000 1.065 750 M CA 1.108 56.244 55.300 -0.274 0.000 1.122 750 M CB -0.906 31.522 32.600 -0.287 0.000 1.365 750 M HN 0.162 nan 8.290 nan 0.000 0.411 751 L N -0.084 121.010 121.223 -0.215 0.000 2.017 751 L HA -0.179 4.161 4.340 0.000 0.000 0.208 751 L C 2.757 179.539 176.870 -0.146 0.000 1.073 751 L CA 1.359 56.121 54.840 -0.130 0.000 0.745 751 L CB -0.951 41.060 42.059 -0.079 0.000 0.894 751 L HN 0.270 nan 8.230 nan 0.000 0.432 752 A N -1.292 121.379 122.820 -0.247 0.000 1.972 752 A HA -0.209 4.112 4.320 0.000 0.000 0.219 752 A C 2.087 179.408 177.584 -0.438 0.000 1.169 752 A CA 1.440 53.301 52.037 -0.293 0.000 0.635 752 A CB -0.631 18.142 19.000 -0.379 0.000 0.810 752 A HN 0.475 nan 8.150 nan 0.000 0.446 753 H N -3.436 115.318 119.070 -0.525 0.000 2.451 753 H HA 0.082 4.639 4.556 0.000 0.000 0.294 753 H C 0.697 175.563 175.328 -0.770 0.000 1.028 753 H CA 1.484 57.049 56.048 -0.805 0.000 1.349 753 H CB 0.321 29.238 29.762 -1.408 0.000 1.444 753 H HN 0.647 nan 8.280 nan 0.000 0.538 754 Y N -0.694 119.615 120.300 0.015 0.000 2.499 754 Y HA 0.190 4.740 4.550 0.000 0.000 0.253 754 Y C 0.399 176.271 175.900 -0.046 0.000 1.105 754 Y CA -0.678 57.402 58.100 -0.034 0.000 1.240 754 Y CB 0.336 38.744 38.460 -0.087 0.000 1.289 754 Y HN -0.046 nan 8.280 nan 0.000 0.534 755 N N 0.672 119.399 118.700 0.044 0.000 2.741 755 N HA -0.197 4.543 4.740 0.000 0.000 0.250 755 N C -0.785 174.748 175.510 0.039 0.000 1.115 755 N CA 0.838 53.919 53.050 0.052 0.000 0.724 755 N CB -1.589 36.941 38.487 0.072 0.000 1.090 755 N HN 0.393 nan 8.380 nan 0.000 0.558 756 I N -0.739 119.825 120.570 -0.009 0.000 2.336 756 I HA 0.514 4.684 4.170 0.000 0.000 0.292 756 I C 1.443 177.455 176.117 -0.174 0.000 0.991 756 I CA 0.306 61.532 61.300 -0.124 0.000 1.227 756 I CB 1.570 39.393 38.000 -0.295 0.000 1.366 756 I HN 0.227 nan 8.210 nan 0.000 0.466 757 G N 3.876 112.492 108.800 -0.307 0.000 3.609 757 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 757 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 757 G C 0.369 174.895 174.900 -0.623 0.000 0.951 757 G CA -0.238 44.500 45.100 -0.604 0.000 0.867 757 G HN 0.483 nan 8.290 nan 0.000 0.478 758 Y N 1.109 121.309 120.300 -0.168 0.000 2.517 758 Y HA 0.383 4.933 4.550 0.000 0.000 0.281 758 Y C 2.158 177.991 175.900 -0.111 0.000 1.125 758 Y CA 1.072 59.102 58.100 -0.117 0.000 1.283 758 Y CB 0.640 39.067 38.460 -0.054 0.000 1.042 758 Y HN 0.245 nan 8.280 nan 0.000 0.547 759 Q N -0.097 119.709 119.800 0.010 0.000 2.215 759 Q HA 0.418 4.758 4.340 0.000 0.000 0.337 759 Q C -0.108 175.905 176.000 0.022 0.000 0.887 759 Q CA -0.102 55.720 55.803 0.032 0.000 1.134 759 Q CB 1.109 29.896 28.738 0.083 0.000 1.303 759 Q HN 0.353 nan 8.270 nan 0.000 0.421 760 G N 0.572 109.298 108.800 -0.125 0.000 2.692 760 G HA2 -0.213 3.747 3.960 0.000 0.000 0.686 760 G HA3 -0.213 3.747 3.960 0.000 0.000 0.686 760 G C -0.883 173.930 174.900 -0.145 0.000 1.243 760 G CA -1.034 44.000 45.100 -0.110 0.000 0.782 760 G HN 0.219 nan 8.290 nan 0.000 0.625 761 F N 1.312 121.339 119.950 0.129 0.000 2.394 761 F HA 0.741 5.268 4.527 0.000 0.000 0.340 761 F C 0.844 176.716 175.800 0.120 0.000 1.105 761 F CA 0.028 58.059 58.000 0.051 0.000 1.124 761 F CB 1.486 40.614 39.000 0.212 0.000 1.145 761 F HN 0.750 nan 8.300 nan 0.000 0.505 762 Y N -0.689 119.720 120.300 0.182 0.000 2.689 762 Y HA 0.638 5.188 4.550 0.000 0.000 0.333 762 Y C -1.502 174.283 175.900 -0.193 0.000 1.208 762 Y CA -2.015 56.095 58.100 0.017 0.000 1.055 762 Y CB 0.067 38.518 38.460 -0.015 0.000 1.304 762 Y HN 0.201 nan 8.280 nan 0.000 0.455 763 V N 4.123 123.962 119.914 -0.125 0.000 2.529 763 V HA 0.220 4.341 4.120 0.000 0.000 0.292 763 V C -1.811 174.023 176.094 -0.433 0.000 1.028 763 V CA -1.134 60.812 62.300 -0.590 0.000 1.074 763 V CB 0.127 31.724 31.823 -0.378 0.000 0.958 763 V HN 0.648 nan 8.190 nan 0.000 0.481 764 P HA 0.167 nan 4.420 nan 0.000 0.272 764 P C -0.133 176.970 177.300 -0.329 0.000 1.223 764 P CA -0.476 62.275 63.100 -0.582 0.000 0.784 764 P CB 0.646 31.625 31.700 -1.201 0.000 0.923 765 E N 0.380 120.455 120.200 -0.208 0.000 2.452 765 E HA 0.006 4.356 4.350 0.000 0.000 0.261 765 E C 1.690 178.192 176.600 -0.164 0.000 0.987 765 E CA 0.256 56.569 56.400 -0.144 0.000 0.926 765 E CB 0.198 29.806 29.700 -0.153 0.000 0.934 765 E HN 0.584 nan 8.360 nan 0.000 0.452 766 G N 3.006 111.788 108.800 -0.031 0.000 2.469 766 G HA2 -0.314 3.646 3.960 0.000 0.000 0.220 766 G HA3 -0.314 3.646 3.960 0.000 0.000 0.220 766 G C 1.235 176.162 174.900 0.045 0.000 1.136 766 G CA 1.275 46.384 45.100 0.015 0.000 0.759 766 G HN 0.778 nan 8.290 nan 0.000 0.562 767 Y N 0.020 120.334 120.300 0.024 0.000 2.583 767 Y HA 0.385 4.935 4.550 0.000 0.000 0.293 767 Y C 2.104 178.046 175.900 0.070 0.000 1.157 767 Y CA 0.619 58.742 58.100 0.037 0.000 1.315 767 Y CB 0.061 38.537 38.460 0.026 0.000 1.021 767 Y HN 0.105 nan 8.280 nan 0.000 0.536 768 K N -0.091 120.035 120.400 -0.455 0.000 2.374 768 K HA 0.023 4.344 4.320 0.000 0.000 0.196 768 K C -0.291 176.374 176.600 0.107 0.000 1.023 768 K CA 0.470 56.623 56.287 -0.222 0.000 1.103 768 K CB 0.316 32.635 32.500 -0.301 0.000 0.848 768 K HN 0.116 nan 8.250 nan 0.000 0.528 769 D N 1.483 121.928 120.400 0.075 0.000 2.483 769 D HA 0.133 4.773 4.640 0.000 0.000 0.281 769 D C -0.297 176.087 176.300 0.138 0.000 1.174 769 D CA -0.288 53.825 54.000 0.187 0.000 0.938 769 D CB 0.279 41.093 40.800 0.024 0.000 1.002 769 D HN -0.035 nan 8.370 nan 0.000 0.501 770 R N 1.097 121.688 120.500 0.151 0.000 2.523 770 R HA 0.382 4.722 4.340 0.000 0.000 0.216 770 R C 1.576 177.884 176.300 0.013 0.000 1.279 770 R CA -0.700 55.446 56.100 0.077 0.000 1.015 770 R CB 0.275 30.629 30.300 0.089 0.000 1.756 770 R HN 0.248 nan 8.270 nan 0.000 0.528 771 M N 0.054 119.583 119.600 -0.118 0.000 2.229 771 M HA -0.070 4.410 4.480 0.000 0.000 0.264 771 M C 0.222 176.320 176.300 -0.337 0.000 1.063 771 M CA 1.775 56.883 55.300 -0.320 0.000 1.114 771 M CB 0.342 32.586 32.600 -0.593 0.000 1.387 771 M HN 0.444 nan 8.290 nan 0.000 0.420 772 Y N -0.017 120.333 120.300 0.084 0.000 2.708 772 Y HA 0.396 4.947 4.550 0.000 0.000 0.287 772 Y C 0.413 176.387 175.900 0.124 0.000 1.145 772 Y CA -0.661 57.503 58.100 0.106 0.000 1.249 772 Y CB -0.355 38.174 38.460 0.115 0.000 1.152 772 Y HN 0.002 nan 8.280 nan 0.000 0.532 773 S N 0.059 115.871 115.700 0.186 0.000 2.672 773 S HA 0.133 4.603 4.470 0.000 0.000 0.276 773 S C 0.843 175.436 174.600 -0.010 0.000 1.207 773 S CA -0.694 57.581 58.200 0.125 0.000 1.002 773 S CB 0.791 64.134 63.200 0.240 0.000 0.998 773 S HN 0.406 nan 8.310 nan 0.000 0.542 774 F N 1.487 121.113 119.950 -0.539 0.000 2.060 774 F HA -0.020 4.507 4.527 0.000 0.000 0.295 774 F C 1.768 177.592 175.800 0.041 0.000 1.120 774 F CA 1.349 59.147 58.000 -0.337 0.000 1.205 774 F CB -0.515 38.107 39.000 -0.629 0.000 0.986 774 F HN 0.662 nan 8.300 nan 0.000 0.470 775 F N 1.332 121.201 119.950 -0.135 0.000 2.095 775 F HA -0.173 4.355 4.527 0.000 0.000 0.298 775 F C 2.675 178.397 175.800 -0.131 0.000 1.104 775 F CA 2.041 59.900 58.000 -0.235 0.000 1.232 775 F CB -0.542 38.384 39.000 -0.123 0.000 0.987 775 F HN -0.039 nan 8.300 nan 0.000 0.475 776 R N 0.871 121.416 120.500 0.076 0.000 2.117 776 R HA -0.169 4.171 4.340 0.000 0.000 0.243 776 R C 1.543 177.787 176.300 -0.094 0.000 1.143 776 R CA 2.137 58.246 56.100 0.014 0.000 0.968 776 R CB -0.706 29.628 30.300 0.057 0.000 0.863 776 R HN 0.305 nan 8.270 nan 0.000 0.444 777 N N -0.779 117.863 118.700 -0.096 0.000 2.299 777 N HA -0.046 4.695 4.740 0.000 0.000 0.187 777 N C -0.637 174.851 175.510 -0.036 0.000 1.099 777 N CA -0.037 52.991 53.050 -0.037 0.000 0.867 777 N CB 0.185 38.700 38.487 0.047 0.000 0.974 777 N HN 0.080 nan 8.380 nan 0.000 0.477 778 F N 3.006 122.716 119.950 -0.400 0.000 2.506 778 F HA 0.146 4.673 4.527 0.000 0.000 0.371 778 F C -0.018 175.644 175.800 -0.230 0.000 1.078 778 F CA -0.128 57.641 58.000 -0.385 0.000 1.195 778 F CB 0.538 39.068 39.000 -0.783 0.000 1.099 778 F HN -0.166 nan 8.300 nan 0.000 0.548 779 Q N 8.723 128.279 119.800 -0.407 0.000 2.932 779 Q HA 0.268 4.608 4.340 0.000 0.000 0.248 779 Q C -2.658 173.122 176.000 -0.366 0.000 0.982 779 Q CA -1.859 53.715 55.803 -0.382 0.000 0.730 779 Q CB 1.437 30.092 28.738 -0.140 0.000 1.249 779 Q HN 0.445 nan 8.270 nan 0.000 0.476 780 P HA 0.279 nan 4.420 nan 0.000 0.275 780 P C -0.399 176.832 177.300 -0.115 0.000 1.228 780 P CA -0.114 62.810 63.100 -0.294 0.000 0.786 780 P CB 1.086 32.556 31.700 -0.384 0.000 0.927 781 M N 0.959 120.570 119.600 0.019 0.000 2.465 781 M HA 0.346 4.826 4.480 0.000 0.000 0.284 781 M C -0.811 175.666 176.300 0.295 0.000 1.212 781 M CA -0.184 55.185 55.300 0.116 0.000 0.910 781 M CB 2.683 35.296 32.600 0.022 0.000 1.725 781 M HN 0.203 nan 8.290 nan 0.000 0.477 782 S N 0.864 116.780 115.700 0.359 0.000 2.588 782 S HA 0.862 5.332 4.470 0.000 0.000 0.275 782 S C -1.418 173.246 174.600 0.107 0.000 1.130 782 S CA -1.005 57.379 58.200 0.307 0.000 0.855 782 S CB 2.597 65.874 63.200 0.128 0.000 1.116 782 S HN 0.769 nan 8.310 nan 0.000 0.472 783 R N 0.331 120.659 120.500 -0.286 0.000 2.764 783 R HA 0.756 5.096 4.340 0.000 0.000 0.270 783 R C -1.846 174.249 176.300 -0.343 0.000 1.014 783 R CA -1.036 54.785 56.100 -0.465 0.000 0.904 783 R CB 0.711 30.368 30.300 -1.071 0.000 1.236 783 R HN 0.366 nan 8.270 nan 0.000 0.466 784 Q N 0.274 119.919 119.800 -0.260 0.000 2.248 784 Q HA 0.667 5.007 4.340 0.000 0.000 0.263 784 Q C -0.864 175.010 176.000 -0.210 0.000 1.007 784 Q CA -0.676 55.011 55.803 -0.193 0.000 0.877 784 Q CB 2.535 31.196 28.738 -0.129 0.000 1.315 784 Q HN 0.599 nan 8.270 nan 0.000 0.454 785 V N -2.424 117.393 119.914 -0.162 0.000 3.147 785 V HA 0.611 4.731 4.120 0.000 0.000 0.306 785 V C -0.603 175.423 176.094 -0.114 0.000 1.209 785 V CA -1.260 60.967 62.300 -0.122 0.000 1.023 785 V CB 1.544 33.305 31.823 -0.103 0.000 1.059 785 V HN 0.571 nan 8.190 nan 0.000 0.435 786 V N 1.876 121.734 119.914 -0.093 0.000 2.720 786 V HA 0.122 4.242 4.120 0.000 0.000 0.307 786 V C 0.363 176.348 176.094 -0.181 0.000 1.071 786 V CA 0.744 62.937 62.300 -0.177 0.000 1.199 786 V CB 0.759 32.497 31.823 -0.141 0.000 0.900 786 V HN 1.166 nan 8.190 nan 0.000 0.494 787 D N 4.954 125.253 120.400 -0.168 0.000 2.338 787 D HA 0.086 4.726 4.640 0.000 0.000 0.255 787 D C 1.017 177.191 176.300 -0.210 0.000 1.237 787 D CA 0.252 54.169 54.000 -0.138 0.000 0.883 787 D CB 1.001 41.761 40.800 -0.068 0.000 1.087 787 D HN 0.737 nan 8.370 nan 0.000 0.485 788 E N 1.991 121.976 120.200 -0.358 0.000 2.427 788 E HA -0.046 4.304 4.350 0.000 0.000 0.196 788 E C 1.532 177.970 176.600 -0.270 0.000 1.028 788 E CA 0.322 56.316 56.400 -0.677 0.000 0.864 788 E CB 0.658 29.952 29.700 -0.676 0.000 0.813 788 E HN 0.360 nan 8.360 nan 0.000 0.514 789 V N 0.601 120.435 119.914 -0.133 0.000 2.672 789 V HA -0.070 4.051 4.120 0.000 0.000 0.242 789 V C 1.169 177.251 176.094 -0.021 0.000 1.059 789 V CA 1.281 63.551 62.300 -0.050 0.000 1.081 789 V CB -0.099 31.701 31.823 -0.037 0.000 0.752 789 V HN 0.163 nan 8.190 nan 0.000 0.472 790 N N -1.306 117.384 118.700 -0.016 0.000 2.236 790 N HA 0.071 4.811 4.740 0.000 0.000 0.196 790 N C 0.058 175.599 175.510 0.052 0.000 1.114 790 N CA -0.162 52.893 53.050 0.008 0.000 0.859 790 N CB 0.326 38.815 38.487 0.002 0.000 0.982 790 N HN 0.501 nan 8.380 nan 0.000 0.493 791 Y N 2.921 123.173 120.300 -0.080 0.000 2.504 791 Y HA 0.104 4.654 4.550 0.000 0.000 0.351 791 Y C 1.336 177.221 175.900 -0.025 0.000 0.988 791 Y CA -1.300 56.752 58.100 -0.080 0.000 1.239 791 Y CB 0.281 38.654 38.460 -0.146 0.000 1.128 791 Y HN 0.020 nan 8.280 nan 0.000 0.525 792 K N 1.484 121.659 120.400 -0.374 0.000 2.127 792 K HA -0.204 4.116 4.320 0.000 0.000 0.208 792 K C 0.184 176.508 176.600 -0.459 0.000 1.047 792 K CA 2.325 58.410 56.287 -0.337 0.000 0.927 792 K CB 0.056 32.413 32.500 -0.239 0.000 0.716 792 K HN 0.450 nan 8.250 nan 0.000 0.450 793 D N -0.359 119.453 120.400 -0.980 0.000 2.368 793 D HA 0.013 4.654 4.640 0.000 0.000 0.218 793 D C -0.632 175.482 176.300 -0.310 0.000 1.112 793 D CA -0.281 53.356 54.000 -0.605 0.000 0.834 793 D CB -0.251 40.244 40.800 -0.508 0.000 0.953 793 D HN 0.224 nan 8.370 nan 0.000 0.505 794 Y N 2.302 122.404 120.300 -0.330 0.000 2.712 794 Y HA 0.026 4.577 4.550 0.000 0.000 0.333 794 Y C 0.018 176.018 175.900 0.166 0.000 1.225 794 Y CA 0.409 58.581 58.100 0.120 0.000 1.499 794 Y CB 0.369 38.918 38.460 0.147 0.000 1.288 794 Y HN -0.151 nan 8.280 nan 0.000 0.575 795 Q N 5.082 124.557 119.800 -0.541 0.000 2.304 795 Q HA 0.487 4.828 4.340 0.000 0.000 0.270 795 Q C -0.922 174.648 176.000 -0.716 0.000 1.035 795 Q CA -0.654 54.864 55.803 -0.474 0.000 0.781 795 Q CB 1.975 30.638 28.738 -0.126 0.000 1.261 795 Q HN 0.836 nan 8.270 nan 0.000 0.444 796 A N 3.093 125.630 122.820 -0.473 0.000 2.981 796 A HA 0.326 4.646 4.320 0.000 0.000 0.280 796 A C 0.139 177.690 177.584 -0.056 0.000 1.743 796 A CA -0.287 51.657 52.037 -0.155 0.000 1.430 796 A CB -0.455 18.594 19.000 0.081 0.000 1.085 796 A HN 0.397 nan 8.150 nan 0.000 0.597 797 V N 3.445 123.318 119.914 -0.069 0.000 2.405 797 V HA 0.195 4.316 4.120 0.000 0.000 0.264 797 V C 1.178 177.263 176.094 -0.014 0.000 1.048 797 V CA 0.125 62.405 62.300 -0.034 0.000 0.966 797 V CB 0.341 32.119 31.823 -0.075 0.000 1.015 797 V HN 0.883 nan 8.190 nan 0.000 0.477 798 T N 2.503 117.103 114.554 0.076 0.000 2.813 798 T HA 0.250 4.600 4.350 0.000 0.000 0.297 798 T C 1.174 175.854 174.700 -0.034 0.000 1.036 798 T CA -0.470 61.655 62.100 0.042 0.000 1.044 798 T CB 0.952 69.871 68.868 0.086 0.000 0.993 798 T HN 0.335 nan 8.240 nan 0.000 0.535 799 L N 1.792 122.961 121.223 -0.089 0.000 2.021 799 L HA -0.088 4.252 4.340 0.000 0.000 0.215 799 L C 2.818 179.602 176.870 -0.143 0.000 1.074 799 L CA 2.575 57.334 54.840 -0.134 0.000 0.760 799 L CB -1.346 40.656 42.059 -0.096 0.000 0.889 799 L HN 0.959 nan 8.230 nan 0.000 0.433 800 A N -1.840 120.848 122.820 -0.220 0.000 2.024 800 A HA -0.242 4.078 4.320 0.000 0.000 0.220 800 A C 1.848 179.276 177.584 -0.261 0.000 1.164 800 A CA 2.019 53.860 52.037 -0.327 0.000 0.643 800 A CB -0.935 17.716 19.000 -0.583 0.000 0.806 800 A HN 0.670 nan 8.150 nan 0.000 0.451 801 Y N -0.411 119.918 120.300 0.048 0.000 2.458 801 Y HA 0.173 4.724 4.550 0.000 0.000 0.256 801 Y C 0.826 176.734 175.900 0.013 0.000 1.159 801 Y CA -0.456 57.674 58.100 0.050 0.000 1.261 801 Y CB 0.193 38.657 38.460 0.005 0.000 1.119 801 Y HN 0.345 nan 8.280 nan 0.000 0.524 802 Q N 1.872 121.703 119.800 0.052 0.000 2.352 802 Q HA 0.124 4.464 4.340 0.000 0.000 0.260 802 Q C -0.402 175.651 176.000 0.089 0.000 0.976 802 Q CA -0.031 55.737 55.803 -0.058 0.000 0.881 802 Q CB 0.457 29.064 28.738 -0.219 0.000 1.235 802 Q HN 0.381 nan 8.270 nan 0.000 0.419 803 H N 0.597 119.722 119.070 0.092 0.000 2.771 803 H HA 0.565 5.121 4.556 0.000 0.000 0.361 803 H C -1.376 174.016 175.328 0.107 0.000 1.108 803 H CA -0.972 55.142 56.048 0.110 0.000 1.201 803 H CB 1.689 31.505 29.762 0.091 0.000 1.681 803 H HN 0.533 nan 8.280 nan 0.000 0.534 804 N N 2.856 121.707 118.700 0.251 0.000 2.493 804 N HA 0.064 4.804 4.740 0.000 0.000 0.279 804 N C -0.659 175.009 175.510 0.265 0.000 1.082 804 N CA -0.295 52.867 53.050 0.186 0.000 0.963 804 N CB 1.168 39.676 38.487 0.035 0.000 1.627 804 N HN 0.850 nan 8.380 nan 0.000 0.499 805 N N 0.215 119.087 118.700 0.286 0.000 2.741 805 N HA -0.169 4.571 4.740 0.000 0.000 0.250 805 N C -0.621 175.047 175.510 0.264 0.000 1.115 805 N CA 1.238 54.523 53.050 0.392 0.000 0.724 805 N CB -1.578 37.115 38.487 0.344 0.000 1.090 805 N HN 0.752 nan 8.380 nan 0.000 0.558 806 S N -1.211 114.580 115.700 0.151 0.000 2.558 806 S HA 0.377 4.847 4.470 0.000 0.000 0.293 806 S C 1.636 176.029 174.600 -0.345 0.000 1.292 806 S CA 0.860 59.038 58.200 -0.035 0.000 1.063 806 S CB 1.514 64.686 63.200 -0.046 0.000 0.831 806 S HN 1.065 nan 8.310 nan 0.000 0.499 807 G N 2.075 110.617 108.800 -0.430 0.000 2.258 807 G HA2 -0.246 3.714 3.960 0.000 0.000 0.233 807 G HA3 -0.246 3.714 3.960 0.000 0.000 0.233 807 G C 0.232 174.662 174.900 -0.782 0.000 1.006 807 G CA 0.344 44.987 45.100 -0.762 0.000 0.620 807 G HN 0.818 nan 8.290 nan 0.000 0.511 808 F N 0.691 120.647 119.950 0.010 0.000 2.767 808 F HA 0.585 5.112 4.527 0.000 0.000 0.323 808 F C 0.931 176.728 175.800 -0.005 0.000 1.091 808 F CA 0.093 58.096 58.000 0.004 0.000 1.192 808 F CB 0.849 39.858 39.000 0.016 0.000 1.056 808 F HN 0.538 nan 8.300 nan 0.000 0.571 809 V N -2.516 117.461 119.914 0.105 0.000 3.130 809 V HA 0.965 5.085 4.120 0.000 0.000 0.310 809 V C 0.193 176.296 176.094 0.015 0.000 1.158 809 V CA -1.189 61.144 62.300 0.055 0.000 1.029 809 V CB 1.039 32.907 31.823 0.075 0.000 1.057 809 V HN 0.045 nan 8.190 nan 0.000 0.436 810 G N 0.303 109.092 108.800 -0.018 0.000 2.527 810 G HA2 0.376 4.336 3.960 0.000 0.000 0.248 810 G HA3 0.376 4.336 3.960 0.000 0.000 0.248 810 G C -0.980 173.951 174.900 0.052 0.000 1.231 810 G CA -0.343 44.749 45.100 -0.014 0.000 0.838 810 G HN 1.155 nan 8.290 nan 0.000 0.570 811 Y N 1.984 122.244 120.300 -0.067 0.000 2.436 811 Y HA 0.315 4.865 4.550 0.000 0.000 0.343 811 Y C 1.186 177.071 175.900 -0.024 0.000 1.008 811 Y CA -0.629 57.441 58.100 -0.050 0.000 1.241 811 Y CB 0.220 38.636 38.460 -0.072 0.000 1.153 811 Y HN 0.497 nan 8.280 nan 0.000 0.521 812 L N 4.013 124.980 121.223 -0.426 0.000 4.179 812 L HA -0.341 3.999 4.340 0.000 0.000 0.418 812 L C -0.204 176.640 176.870 -0.043 0.000 1.168 812 L CA 0.748 55.373 54.840 -0.359 0.000 0.972 812 L CB -1.970 39.672 42.059 -0.696 0.000 2.005 812 L HN 0.744 nan 8.230 nan 0.000 0.935 813 A N -1.450 121.345 122.820 -0.042 0.000 2.608 813 A HA 0.737 5.057 4.320 0.000 0.000 0.292 813 A C -2.511 175.010 177.584 -0.105 0.000 1.066 813 A CA -0.676 51.357 52.037 -0.007 0.000 0.676 813 A CB 1.229 20.263 19.000 0.056 0.000 1.277 813 A HN -0.108 nan 8.150 nan 0.000 0.413 814 P HA 0.145 nan 4.420 nan 0.000 0.243 814 P C 0.314 177.511 177.300 -0.173 0.000 1.668 814 P CA 0.528 63.464 63.100 -0.274 0.000 0.898 814 P CB -0.538 30.985 31.700 -0.295 0.000 1.637 815 T N -4.435 110.044 114.554 -0.124 0.000 2.844 815 T HA 0.452 4.802 4.350 0.000 0.000 0.274 815 T C 0.437 175.065 174.700 -0.120 0.000 0.991 815 T CA -1.170 60.865 62.100 -0.108 0.000 0.983 815 T CB 0.658 69.477 68.868 -0.081 0.000 1.310 815 T HN -0.053 nan 8.240 nan 0.000 0.596 816 M N 1.884 121.400 119.600 -0.141 0.000 2.250 816 M HA 0.159 4.640 4.480 0.000 0.000 0.337 816 M C 0.457 176.694 176.300 -0.105 0.000 1.161 816 M CA -0.497 54.726 55.300 -0.128 0.000 1.088 816 M CB 0.440 32.945 32.600 -0.158 0.000 1.639 816 M HN 0.815 nan 8.290 nan 0.000 0.447 817 R N 3.749 124.206 120.500 -0.072 0.000 2.697 817 R HA 0.100 4.440 4.340 0.000 0.000 0.265 817 R C -1.207 175.041 176.300 -0.088 0.000 1.009 817 R CA 0.330 56.398 56.100 -0.053 0.000 1.099 817 R CB 0.254 30.548 30.300 -0.011 0.000 0.965 817 R HN 0.693 nan 8.270 nan 0.000 0.428 818 Q N 0.414 120.157 119.800 -0.095 0.000 2.340 818 Q HA 0.562 4.902 4.340 0.000 0.000 0.276 818 Q C -0.533 175.367 176.000 -0.166 0.000 1.048 818 Q CA -0.386 55.342 55.803 -0.125 0.000 0.832 818 Q CB 2.612 31.291 28.738 -0.099 0.000 1.373 818 Q HN 1.015 nan 8.270 nan 0.000 0.409 819 G N 1.362 110.044 108.800 -0.196 0.000 2.378 819 G HA2 -0.100 3.860 3.960 0.000 0.000 0.198 819 G HA3 -0.100 3.860 3.960 0.000 0.000 0.198 819 G C -1.644 173.102 174.900 -0.258 0.000 1.223 819 G CA -0.334 44.627 45.100 -0.231 0.000 1.088 819 G HN 0.691 nan 8.290 nan 0.000 0.530 820 Q N -0.858 118.779 119.800 -0.272 0.000 2.389 820 Q HA 0.666 5.007 4.340 0.000 0.000 0.277 820 Q C -3.124 172.748 176.000 -0.214 0.000 1.082 820 Q CA -2.101 53.558 55.803 -0.239 0.000 0.810 820 Q CB 2.867 31.497 28.738 -0.180 0.000 1.374 820 Q HN 0.365 nan 8.270 nan 0.000 0.422 821 P HA -0.017 nan 4.420 nan 0.000 0.258 821 P C -1.758 175.654 177.300 0.187 0.000 1.187 821 P CA 0.767 63.875 63.100 0.012 0.000 0.767 821 P CB -0.134 31.636 31.700 0.116 0.000 0.770 822 Y N 4.109 124.411 120.300 0.003 0.000 2.581 822 Y HA 0.386 4.936 4.550 0.000 0.000 0.337 822 Y C -2.290 173.661 175.900 0.086 0.000 1.108 822 Y CA -2.423 55.679 58.100 0.003 0.000 1.033 822 Y CB 1.234 39.629 38.460 -0.108 0.000 1.318 822 Y HN 0.309 nan 8.280 nan 0.000 0.459 823 P HA 0.270 nan 4.420 nan 0.000 0.265 823 P C -1.020 176.385 177.300 0.176 0.000 1.187 823 P CA 0.006 63.082 63.100 -0.039 0.000 0.766 823 P CB 0.396 32.013 31.700 -0.139 0.000 0.820 824 A N 2.998 125.886 122.820 0.114 0.000 2.445 824 A HA 0.126 4.446 4.320 0.000 0.000 0.242 824 A C 1.091 178.627 177.584 -0.080 0.000 1.075 824 A CA -0.230 51.847 52.037 0.066 0.000 0.777 824 A CB -0.158 18.822 19.000 -0.034 0.000 1.013 824 A HN 0.697 nan 8.150 nan 0.000 0.493 825 N N -0.238 118.296 118.700 -0.276 0.000 2.205 825 N HA 0.163 4.903 4.740 0.000 0.000 0.201 825 N C -0.635 174.746 175.510 -0.216 0.000 1.128 825 N CA 0.093 52.975 53.050 -0.280 0.000 0.867 825 N CB 0.119 38.347 38.487 -0.432 0.000 0.996 825 N HN 0.639 nan 8.380 nan 0.000 0.503 826 Y N -0.046 120.028 120.300 -0.377 0.000 2.521 826 Y HA 0.434 4.985 4.550 0.000 0.000 0.326 826 Y C -3.099 172.510 175.900 -0.486 0.000 1.176 826 Y CA -1.527 56.325 58.100 -0.412 0.000 1.079 826 Y CB 1.882 40.150 38.460 -0.319 0.000 1.341 826 Y HN -0.122 nan 8.280 nan 0.000 0.456 827 P HA 0.247 nan 4.420 nan 0.000 0.281 827 P C -1.294 175.649 177.300 -0.595 0.000 1.264 827 P CA -0.181 62.146 63.100 -1.288 0.000 0.824 827 P CB 1.324 32.399 31.700 -1.042 0.000 1.092 828 Y N 1.174 121.269 120.300 -0.342 0.000 2.597 828 Y HA 0.109 4.659 4.550 0.000 0.000 0.336 828 Y C -1.118 174.658 175.900 -0.207 0.000 1.216 828 Y CA -1.061 56.915 58.100 -0.206 0.000 1.463 828 Y CB -0.899 37.450 38.460 -0.184 0.000 1.303 828 Y HN 0.274 nan 8.280 nan 0.000 0.576 829 P HA 0.158 nan 4.420 nan 0.000 0.280 829 P C -0.319 176.945 177.300 -0.060 0.000 1.244 829 P CA -0.081 62.997 63.100 -0.036 0.000 0.784 829 P CB 1.115 32.801 31.700 -0.022 0.000 0.913 830 L N 2.979 124.162 121.223 -0.066 0.000 2.728 830 L HA 0.309 4.649 4.340 0.000 0.000 0.238 830 L C 1.021 177.855 176.870 -0.060 0.000 1.143 830 L CA -0.007 54.785 54.840 -0.080 0.000 0.937 830 L CB -0.338 41.671 42.059 -0.083 0.000 1.225 830 L HN 0.407 nan 8.230 nan 0.000 0.507 831 I N -4.395 116.148 120.570 -0.045 0.000 3.343 831 I HA 0.968 5.138 4.170 0.000 0.000 0.315 831 I C 0.335 176.437 176.117 -0.025 0.000 1.153 831 I CA -0.828 60.452 61.300 -0.033 0.000 0.952 831 I CB 1.581 39.566 38.000 -0.025 0.000 1.287 831 I HN -0.025 nan 8.210 nan 0.000 0.472 832 G N 0.265 109.054 108.800 -0.018 0.000 2.760 832 G HA2 0.056 4.016 3.960 0.000 0.000 0.246 832 G HA3 0.056 4.016 3.960 0.000 0.000 0.246 832 G C 0.134 175.028 174.900 -0.010 0.000 1.359 832 G CA 0.310 45.403 45.100 -0.012 0.000 0.861 832 G HN 1.335 nan 8.290 nan 0.000 0.541 833 K N -1.211 119.187 120.400 -0.005 0.000 2.459 833 K HA 0.523 4.843 4.320 0.000 0.000 0.193 833 K C 2.138 178.741 176.600 0.004 0.000 1.030 833 K CA 2.160 58.447 56.287 -0.001 0.000 1.026 833 K CB -0.065 32.436 32.500 0.001 0.000 0.809 833 K HN 2.187 nan 8.250 nan 0.000 0.504 834 S N -0.884 114.819 115.700 0.005 0.000 2.664 834 S HA 0.606 5.076 4.470 0.000 0.000 0.245 834 S C 0.758 175.359 174.600 0.002 0.000 1.019 834 S CA 0.147 58.358 58.200 0.018 0.000 0.996 834 S CB -0.314 62.905 63.200 0.032 0.000 0.878 834 S HN 0.680 nan 8.310 nan 0.000 0.493 835 A N 1.393 124.200 122.820 -0.021 0.000 2.587 835 A HA 0.408 4.728 4.320 0.000 0.000 0.235 835 A C 0.534 178.056 177.584 -0.102 0.000 1.044 835 A CA 0.011 52.013 52.037 -0.058 0.000 0.754 835 A CB -0.055 18.913 19.000 -0.053 0.000 0.968 835 A HN 0.877 nan 8.150 nan 0.000 0.509 836 V N 3.229 123.012 119.914 -0.219 0.000 2.881 836 V HA 0.289 4.410 4.120 0.000 0.000 0.303 836 V C 0.943 176.843 176.094 -0.323 0.000 1.070 836 V CA -0.031 61.983 62.300 -0.477 0.000 1.074 836 V CB 1.086 32.342 31.823 -0.945 0.000 1.012 836 V HN 1.018 nan 8.190 nan 0.000 0.482 837 T N 5.624 120.037 114.554 -0.235 0.000 2.905 837 T HA 0.274 4.624 4.350 0.000 0.000 0.299 837 T C 0.084 174.690 174.700 -0.157 0.000 1.024 837 T CA 0.621 62.672 62.100 -0.083 0.000 1.151 837 T CB 0.112 69.034 68.868 0.090 0.000 0.987 837 T HN 1.089 nan 8.240 nan 0.000 0.535 838 S N 1.419 117.053 115.700 -0.110 0.000 2.627 838 S HA 0.828 5.298 4.470 0.000 0.000 0.283 838 S C -0.418 174.132 174.600 -0.083 0.000 1.127 838 S CA -0.970 57.159 58.200 -0.119 0.000 0.863 838 S CB 1.549 64.673 63.200 -0.127 0.000 1.121 838 S HN 0.785 nan 8.310 nan 0.000 0.479 839 V N -1.555 118.307 119.914 -0.087 0.000 3.019 839 V HA 0.897 5.017 4.120 0.000 0.000 0.317 839 V C -0.414 175.634 176.094 -0.077 0.000 1.094 839 V CA -0.583 61.677 62.300 -0.067 0.000 1.000 839 V CB 1.346 33.135 31.823 -0.057 0.000 1.060 839 V HN 0.970 nan 8.190 nan 0.000 0.443 840 T N 2.501 117.021 114.554 -0.056 0.000 2.885 840 T HA 0.612 4.962 4.350 0.000 0.000 0.285 840 T C -0.786 173.892 174.700 -0.037 0.000 1.019 840 T CA -0.440 61.623 62.100 -0.062 0.000 1.010 840 T CB 1.438 70.287 68.868 -0.032 0.000 1.022 840 T HN 0.867 nan 8.240 nan 0.000 0.466 841 Q N 1.569 121.335 119.800 -0.057 0.000 2.375 841 Q HA 0.577 4.917 4.340 0.000 0.000 0.271 841 Q C -1.031 175.076 176.000 0.179 0.000 1.074 841 Q CA -0.997 54.836 55.803 0.050 0.000 0.808 841 Q CB 2.822 31.585 28.738 0.042 0.000 1.327 841 Q HN 0.364 nan 8.270 nan 0.000 0.441 842 K N 1.952 122.509 120.400 0.262 0.000 2.422 842 K HA 0.563 4.883 4.320 0.000 0.000 0.251 842 K C -0.928 175.836 176.600 0.274 0.000 0.933 842 K CA -0.660 55.797 56.287 0.282 0.000 0.798 842 K CB 2.468 35.081 32.500 0.189 0.000 1.238 842 K HN 0.665 nan 8.250 nan 0.000 0.428 843 K N 0.792 121.327 120.400 0.225 0.000 2.544 843 K HA 0.517 4.837 4.320 0.000 0.000 0.282 843 K C -1.519 175.166 176.600 0.143 0.000 1.020 843 K CA -0.905 55.444 56.287 0.103 0.000 0.830 843 K CB 1.146 33.591 32.500 -0.091 0.000 1.521 843 K HN 0.437 nan 8.250 nan 0.000 0.376 844 F N -0.945 119.028 119.950 0.039 0.000 2.662 844 F HA 0.683 5.210 4.527 0.000 0.000 0.312 844 F C -1.863 173.950 175.800 0.022 0.000 1.113 844 F CA -1.245 56.767 58.000 0.021 0.000 0.951 844 F CB 1.178 40.296 39.000 0.197 0.000 1.344 844 F HN 0.322 nan 8.300 nan 0.000 0.462 845 L N 1.341 122.667 121.223 0.171 0.000 2.319 845 L HA 0.693 5.033 4.340 0.000 0.000 0.267 845 L C -0.895 176.282 176.870 0.513 0.000 1.011 845 L CA -0.986 53.954 54.840 0.167 0.000 0.818 845 L CB 2.039 44.078 42.059 -0.033 0.000 1.316 845 L HN 0.978 nan 8.230 nan 0.000 0.432 846 C N 1.316 120.912 119.300 0.492 0.000 3.319 846 C HA 0.238 4.698 4.460 0.000 0.000 0.258 846 C C -0.441 174.698 174.990 0.249 0.000 1.068 846 C CA -0.874 58.382 59.018 0.396 0.000 1.193 846 C CB -0.847 27.237 27.740 0.574 0.000 1.770 846 C HN 0.744 nan 8.230 nan 0.000 0.604 847 D N 1.286 121.864 120.400 0.296 0.000 2.363 847 D HA 0.263 4.903 4.640 0.000 0.000 0.240 847 D C 1.113 177.622 176.300 0.349 0.000 1.236 847 D CA 0.222 54.454 54.000 0.387 0.000 0.927 847 D CB 0.517 41.638 40.800 0.535 0.000 1.150 847 D HN 0.637 nan 8.370 nan 0.000 0.458 848 R N -2.048 118.724 120.500 0.454 0.000 3.902 848 R HA -0.207 4.133 4.340 0.000 0.000 0.445 848 R C 0.512 177.080 176.300 0.446 0.000 0.709 848 R CA 1.266 57.638 56.100 0.453 0.000 1.607 848 R CB -1.723 28.794 30.300 0.362 0.000 2.233 848 R HN 0.452 nan 8.270 nan 0.000 0.430 849 V N -1.042 119.012 119.914 0.233 0.000 2.997 849 V HA 0.610 4.730 4.120 0.000 0.000 0.311 849 V C 0.617 176.630 176.094 -0.135 0.000 1.066 849 V CA -0.754 61.602 62.300 0.093 0.000 1.039 849 V CB 1.544 33.353 31.823 -0.023 0.000 1.081 849 V HN 0.079 nan 8.190 nan 0.000 0.467 850 M N 1.690 121.149 119.600 -0.234 0.000 2.404 850 M HA 0.424 4.904 4.480 0.000 0.000 0.338 850 M C -0.895 175.170 176.300 -0.391 0.000 1.150 850 M CA -0.103 54.888 55.300 -0.515 0.000 1.016 850 M CB 1.780 34.050 32.600 -0.549 0.000 1.672 850 M HN 0.765 nan 8.290 nan 0.000 0.448 851 W N 2.832 123.790 121.300 -0.569 0.000 2.193 851 W HA 0.186 4.846 4.660 0.000 0.000 0.338 851 W C 0.264 176.453 176.519 -0.550 0.000 1.310 851 W CA -0.618 56.377 57.345 -0.583 0.000 1.243 851 W CB 0.357 29.173 29.460 -1.073 0.000 1.165 851 W HN 0.364 nan 8.180 nan 0.000 0.566 852 R N 3.878 124.324 120.500 -0.091 0.000 2.621 852 R HA 0.610 4.950 4.340 0.000 0.000 0.292 852 R C -1.081 175.134 176.300 -0.141 0.000 0.969 852 R CA -1.150 54.865 56.100 -0.141 0.000 0.887 852 R CB 1.864 31.998 30.300 -0.276 0.000 1.180 852 R HN 0.495 nan 8.270 nan 0.000 0.450 853 I N 3.571 124.170 120.570 0.049 0.000 2.493 853 I HA 0.262 4.433 4.170 0.000 0.000 0.279 853 I C -2.452 173.876 176.117 0.352 0.000 1.045 853 I CA -2.304 59.067 61.300 0.118 0.000 1.106 853 I CB 2.265 40.282 38.000 0.027 0.000 1.216 853 I HN 0.190 nan 8.210 nan 0.000 0.459 854 P HA 0.064 nan 4.420 nan 0.000 0.276 854 P C -0.372 177.204 177.300 0.460 0.000 1.230 854 P CA -0.233 63.010 63.100 0.239 0.000 0.776 854 P CB 0.449 32.255 31.700 0.176 0.000 0.888 855 F N 3.007 122.959 119.950 0.003 0.000 2.669 855 F HA 0.317 4.845 4.527 0.000 0.000 0.353 855 F C 0.236 176.072 175.800 0.060 0.000 1.192 855 F CA -0.062 57.895 58.000 -0.071 0.000 1.317 855 F CB -0.577 38.233 39.000 -0.316 0.000 1.652 855 F HN 0.072 nan 8.300 nan 0.000 0.608 856 S N 0.576 116.362 115.700 0.144 0.000 2.500 856 S HA 0.321 4.792 4.470 0.000 0.000 0.301 856 S C 1.062 175.640 174.600 -0.038 0.000 1.092 856 S CA -0.059 58.149 58.200 0.014 0.000 1.030 856 S CB 1.298 64.532 63.200 0.058 0.000 1.031 856 S HN 0.524 nan 8.310 nan 0.000 0.483 857 S N 3.481 119.113 115.700 -0.113 0.000 2.402 857 S HA -0.184 4.286 4.470 0.000 0.000 0.233 857 S C 0.891 175.301 174.600 -0.317 0.000 1.030 857 S CA 1.771 59.866 58.200 -0.175 0.000 1.003 857 S CB -0.683 62.431 63.200 -0.143 0.000 0.813 857 S HN 0.874 nan 8.310 nan 0.000 0.477 858 N N -0.346 118.210 118.700 -0.239 0.000 2.282 858 N HA 0.267 5.008 4.740 0.000 0.000 0.240 858 N C 0.149 175.673 175.510 0.024 0.000 1.182 858 N CA -0.419 52.532 53.050 -0.165 0.000 0.874 858 N CB -0.985 37.459 38.487 -0.072 0.000 1.126 858 N HN 0.418 nan 8.380 nan 0.000 0.516 859 F N -1.628 118.425 119.950 0.171 0.000 2.890 859 F HA -0.319 4.208 4.527 0.000 0.000 0.346 859 F C 0.486 176.324 175.800 0.064 0.000 0.660 859 F CA 0.664 58.746 58.000 0.137 0.000 1.091 859 F CB -1.626 37.432 39.000 0.098 0.000 1.535 859 F HN 0.111 nan 8.300 nan 0.000 0.314 860 M N 0.089 119.804 119.600 0.191 0.000 2.291 860 M HA 0.305 4.785 4.480 0.000 0.000 0.324 860 M C 0.619 176.952 176.300 0.055 0.000 1.148 860 M CA -0.014 55.357 55.300 0.119 0.000 1.104 860 M CB 1.028 33.708 32.600 0.133 0.000 1.483 860 M HN -0.075 nan 8.290 nan 0.000 0.467 861 S N 2.429 118.141 115.700 0.022 0.000 2.416 861 S HA 0.358 4.828 4.470 0.000 0.000 0.287 861 S C 0.326 174.930 174.600 0.008 0.000 1.139 861 S CA -0.298 57.898 58.200 -0.005 0.000 1.058 861 S CB 0.250 63.430 63.200 -0.033 0.000 0.967 861 S HN 0.664 nan 8.310 nan 0.000 0.495 862 M N 2.275 121.878 119.600 0.006 0.000 2.340 862 M HA 0.309 4.789 4.480 0.000 0.000 0.345 862 M C 0.556 176.861 176.300 0.009 0.000 1.008 862 M CA -0.138 55.166 55.300 0.008 0.000 0.987 862 M CB 1.124 33.726 32.600 0.002 0.000 1.598 862 M HN 0.773 nan 8.290 nan 0.000 0.569 863 G N -0.208 108.597 108.800 0.010 0.000 2.322 863 G HA2 0.342 4.302 3.960 0.000 0.000 0.289 863 G HA3 0.342 4.302 3.960 0.000 0.000 0.289 863 G C 0.073 174.992 174.900 0.033 0.000 1.687 863 G CA -0.452 44.662 45.100 0.022 0.000 0.944 863 G HN 0.060 nan 8.290 nan 0.000 0.718 864 A N 0.756 123.608 122.820 0.053 0.000 1.892 864 A HA 0.143 4.463 4.320 0.000 0.000 0.218 864 A C 1.532 179.241 177.584 0.208 0.000 1.188 864 A CA 2.043 54.119 52.037 0.065 0.000 0.631 864 A CB -0.292 18.775 19.000 0.111 0.000 0.822 864 A HN 1.757 nan 8.150 nan 0.000 0.447 865 L N 2.034 123.442 121.223 0.307 0.000 2.283 865 L HA 0.368 4.708 4.340 0.000 0.000 0.287 865 L C 0.644 177.596 176.870 0.137 0.000 1.073 865 L CA 0.261 55.283 54.840 0.302 0.000 0.822 865 L CB 0.296 42.413 42.059 0.098 0.000 1.186 865 L HN 0.400 nan 8.230 nan 0.000 0.436 866 T N 0.116 114.746 114.554 0.126 0.000 2.847 866 T HA 0.241 4.591 4.350 0.000 0.000 0.279 866 T C 0.982 175.699 174.700 0.029 0.000 0.984 866 T CA -0.002 62.131 62.100 0.055 0.000 0.988 866 T CB 0.810 69.701 68.868 0.039 0.000 1.040 866 T HN 0.671 nan 8.240 nan 0.000 0.528 867 D N 0.773 121.163 120.400 -0.016 0.000 2.117 867 D HA -0.144 4.496 4.640 0.000 0.000 0.197 867 D C 1.901 178.167 176.300 -0.057 0.000 0.987 867 D CA 1.165 55.144 54.000 -0.035 0.000 0.829 867 D CB -0.555 40.213 40.800 -0.053 0.000 0.961 867 D HN 0.516 nan 8.370 nan 0.000 0.460 868 L N 0.124 121.264 121.223 -0.138 0.000 2.179 868 L HA 0.137 4.477 4.340 0.000 0.000 0.208 868 L C 2.679 179.553 176.870 0.007 0.000 1.096 868 L CA 0.993 55.672 54.840 -0.269 0.000 0.779 868 L CB -0.601 40.941 42.059 -0.863 0.000 0.922 868 L HN 0.204 nan 8.230 nan 0.000 0.443 869 G N -0.458 108.449 108.800 0.179 0.000 2.442 869 G HA2 -0.264 3.697 3.960 0.000 0.000 0.219 869 G HA3 -0.264 3.697 3.960 0.000 0.000 0.219 869 G C 1.488 176.506 174.900 0.198 0.000 1.141 869 G CA 0.429 45.724 45.100 0.324 0.000 0.763 869 G HN 0.395 nan 8.290 nan 0.000 0.554 870 Q N 0.120 119.984 119.800 0.107 0.000 2.049 870 Q HA -0.048 4.293 4.340 0.000 0.000 0.198 870 Q C 2.464 178.499 176.000 0.058 0.000 0.971 870 Q CA 1.201 57.041 55.803 0.063 0.000 0.833 870 Q CB -0.248 28.506 28.738 0.027 0.000 0.896 870 Q HN 0.602 nan 8.270 nan 0.000 0.434 871 N N 0.216 118.940 118.700 0.041 0.000 2.205 871 N HA -0.142 4.598 4.740 0.000 0.000 0.186 871 N C 1.546 177.099 175.510 0.072 0.000 1.015 871 N CA 0.817 53.887 53.050 0.033 0.000 0.862 871 N CB -0.019 38.465 38.487 -0.006 0.000 0.986 871 N HN 0.154 nan 8.380 nan 0.000 0.429 872 M N 0.803 120.480 119.600 0.128 0.000 2.435 872 M HA -0.060 4.420 4.480 0.000 0.000 0.262 872 M C 2.337 178.730 176.300 0.156 0.000 1.065 872 M CA 0.835 56.243 55.300 0.181 0.000 1.076 872 M CB -1.432 31.346 32.600 0.296 0.000 1.403 872 M HN 0.342 nan 8.290 nan 0.000 0.454 873 L N -2.294 118.995 121.223 0.111 0.000 2.478 873 L HA -0.040 4.300 4.340 0.000 0.000 0.223 873 L C 2.369 179.275 176.870 0.061 0.000 1.140 873 L CA 1.961 56.847 54.840 0.076 0.000 0.842 873 L CB -2.695 39.395 42.059 0.051 0.000 0.953 873 L HN 0.483 nan 8.230 nan 0.000 0.452 874 Y N -2.247 118.091 120.300 0.063 0.000 2.539 874 Y HA 0.643 5.194 4.550 0.000 0.000 0.284 874 Y C 2.307 178.245 175.900 0.062 0.000 1.134 874 Y CA 0.446 58.575 58.100 0.048 0.000 1.251 874 Y CB -0.449 38.030 38.460 0.032 0.000 1.260 874 Y HN 0.554 nan 8.280 nan 0.000 0.528 875 A N 2.139 125.008 122.820 0.082 0.000 3.004 875 A HA 0.364 4.684 4.320 0.000 0.000 0.254 875 A C 0.863 178.552 177.584 0.174 0.000 1.857 875 A CA 0.478 52.591 52.037 0.126 0.000 1.460 875 A CB -2.385 16.685 19.000 0.117 0.000 0.963 875 A HN 1.197 nan 8.150 nan 0.000 0.624 876 N N 0.537 119.298 118.700 0.101 0.000 3.193 876 N HA 0.410 5.150 4.740 0.000 0.000 0.312 876 N C 0.095 175.623 175.510 0.030 0.000 1.261 876 N CA 0.553 53.646 53.050 0.072 0.000 1.208 876 N CB -0.095 38.418 38.487 0.044 0.000 1.471 876 N HN 0.467 nan 8.380 nan 0.000 0.548 877 S N -0.950 114.749 115.700 -0.001 0.000 2.709 877 S HA 0.884 5.354 4.470 0.000 0.000 0.302 877 S C 0.097 174.539 174.600 -0.262 0.000 1.127 877 S CA -0.369 57.743 58.200 -0.146 0.000 0.905 877 S CB 1.600 64.673 63.200 -0.211 0.000 1.151 877 S HN 0.899 nan 8.310 nan 0.000 0.510 878 A N 1.343 124.004 122.820 -0.265 0.000 2.327 878 A HA 0.660 4.980 4.320 0.000 0.000 0.283 878 A C -0.700 176.683 177.584 -0.335 0.000 1.127 878 A CA -0.309 51.618 52.037 -0.183 0.000 0.810 878 A CB 0.154 19.100 19.000 -0.090 0.000 1.066 878 A HN 0.801 nan 8.150 nan 0.000 0.492 879 H N 0.128 119.407 119.070 0.348 0.000 2.690 879 H HA 0.596 5.153 4.556 0.000 0.000 0.368 879 H C 0.059 175.647 175.328 0.434 0.000 1.150 879 H CA -0.044 56.208 56.048 0.339 0.000 1.174 879 H CB 2.013 31.950 29.762 0.292 0.000 1.684 879 H HN 0.874 nan 8.280 nan 0.000 0.538 880 A N 2.098 125.139 122.820 0.367 0.000 2.286 880 A HA 0.505 4.825 4.320 0.000 0.000 0.286 880 A C -0.638 177.038 177.584 0.154 0.000 1.097 880 A CA -0.396 51.794 52.037 0.255 0.000 0.821 880 A CB 0.601 19.686 19.000 0.142 0.000 1.076 880 A HN 0.449 nan 8.150 nan 0.000 0.490 881 L N 0.877 122.147 121.223 0.078 0.000 2.408 881 L HA 0.617 4.957 4.340 0.000 0.000 0.268 881 L C -1.495 175.323 176.870 -0.087 0.000 0.986 881 L CA -0.189 54.529 54.840 -0.204 0.000 0.820 881 L CB 2.212 44.087 42.059 -0.306 0.000 1.303 881 L HN 0.693 nan 8.230 nan 0.000 0.411 882 D N 5.566 125.866 120.400 -0.167 0.000 2.646 882 D HA 0.607 5.247 4.640 0.000 0.000 0.245 882 D C -1.003 175.198 176.300 -0.165 0.000 1.099 882 D CA -0.201 53.740 54.000 -0.100 0.000 0.849 882 D CB 2.330 43.090 40.800 -0.068 0.000 1.448 882 D HN 0.503 nan 8.370 nan 0.000 0.489 883 M N 1.611 121.127 119.600 -0.140 0.000 2.501 883 M HA 0.316 4.796 4.480 0.000 0.000 0.293 883 M C -0.793 175.379 176.300 -0.213 0.000 1.192 883 M CA -0.801 54.338 55.300 -0.269 0.000 0.886 883 M CB 3.139 35.551 32.600 -0.313 0.000 1.710 883 M HN 0.085 nan 8.290 nan 0.000 0.457 884 N N 2.194 120.699 118.700 -0.326 0.000 2.519 884 N HA 0.441 5.181 4.740 0.000 0.000 0.286 884 N C -2.211 173.131 175.510 -0.280 0.000 1.079 884 N CA -0.195 52.750 53.050 -0.174 0.000 0.878 884 N CB 1.316 39.738 38.487 -0.108 0.000 1.375 884 N HN 0.442 nan 8.380 nan 0.000 0.514 885 F N 1.218 121.089 119.950 -0.133 0.000 2.404 885 F HA 0.361 4.888 4.527 0.000 0.000 0.339 885 F C 0.970 176.742 175.800 -0.046 0.000 1.105 885 F CA -0.546 57.400 58.000 -0.090 0.000 1.087 885 F CB 1.295 40.272 39.000 -0.038 0.000 1.143 885 F HN 0.315 nan 8.300 nan 0.000 0.491 886 E N 2.835 123.115 120.200 0.133 0.000 2.176 886 E HA 0.623 4.973 4.350 0.000 0.000 0.267 886 E C -1.466 175.165 176.600 0.052 0.000 0.893 886 E CA -0.743 55.694 56.400 0.061 0.000 0.761 886 E CB 1.685 31.395 29.700 0.016 0.000 1.133 886 E HN 0.525 nan 8.360 nan 0.000 0.409 887 V N 0.689 120.586 119.914 -0.027 0.000 3.040 887 V HA 0.514 4.634 4.120 0.000 0.000 0.312 887 V C -0.522 175.515 176.094 -0.095 0.000 1.115 887 V CA -1.121 61.097 62.300 -0.136 0.000 0.998 887 V CB 1.933 33.562 31.823 -0.323 0.000 1.042 887 V HN 0.550 nan 8.190 nan 0.000 0.433 888 D N 3.472 123.808 120.400 -0.107 0.000 2.424 888 D HA 0.321 4.962 4.640 0.000 0.000 0.244 888 D C -2.393 173.868 176.300 -0.066 0.000 1.134 888 D CA -0.694 53.270 54.000 -0.059 0.000 0.881 888 D CB 1.188 41.963 40.800 -0.041 0.000 1.191 888 D HN 0.606 nan 8.370 nan 0.000 0.445 889 P HA 0.100 nan 4.420 nan 0.000 0.268 889 P C -0.473 176.817 177.300 -0.017 0.000 1.205 889 P CA 0.024 63.109 63.100 -0.025 0.000 0.771 889 P CB 0.705 32.402 31.700 -0.006 0.000 0.858 890 M N 0.913 120.501 119.600 -0.020 0.000 2.393 890 M HA 0.271 4.752 4.480 0.000 0.000 0.299 890 M C 0.536 176.839 176.300 0.004 0.000 1.103 890 M CA -0.339 54.959 55.300 -0.003 0.000 0.910 890 M CB 2.307 34.896 32.600 -0.019 0.000 1.659 890 M HN 0.318 nan 8.290 nan 0.000 0.445 891 D N 3.011 123.423 120.400 0.020 0.000 2.870 891 D HA 0.264 4.904 4.640 0.000 0.000 0.241 891 D C -0.003 176.306 176.300 0.016 0.000 1.234 891 D CA -0.000 54.010 54.000 0.017 0.000 0.844 891 D CB -0.134 40.680 40.800 0.024 0.000 1.051 891 D HN 0.692 nan 8.370 nan 0.000 0.469 892 E N -2.093 118.113 120.200 0.010 0.000 2.407 892 E HA 0.427 4.778 4.350 0.000 0.000 0.279 892 E C -0.585 176.013 176.600 -0.004 0.000 1.012 892 E CA -0.753 55.651 56.400 0.006 0.000 0.800 892 E CB 0.926 30.636 29.700 0.016 0.000 1.276 892 E HN 0.160 nan 8.360 nan 0.000 0.452 893 S N 0.746 116.440 115.700 -0.010 0.000 2.549 893 S HA 0.423 4.893 4.470 0.000 0.000 0.279 893 S C 0.292 174.883 174.600 -0.016 0.000 1.321 893 S CA 0.253 58.443 58.200 -0.016 0.000 1.054 893 S CB 0.660 63.847 63.200 -0.023 0.000 0.899 893 S HN 0.704 nan 8.310 nan 0.000 0.497 894 T N 0.418 114.961 114.554 -0.018 0.000 2.773 894 T HA 0.750 5.100 4.350 0.000 0.000 0.278 894 T C -0.648 174.048 174.700 -0.005 0.000 1.011 894 T CA -1.110 60.979 62.100 -0.017 0.000 1.014 894 T CB 0.700 69.545 68.868 -0.038 0.000 1.293 894 T HN 0.634 nan 8.240 nan 0.000 0.554 895 L N 0.898 122.129 121.223 0.013 0.000 2.431 895 L HA 0.570 4.911 4.340 0.000 0.000 0.266 895 L C -1.164 175.762 176.870 0.093 0.000 0.978 895 L CA -1.270 53.597 54.840 0.045 0.000 0.822 895 L CB 2.168 44.241 42.059 0.023 0.000 1.310 895 L HN 0.620 nan 8.230 nan 0.000 0.409 896 L N 3.239 124.538 121.223 0.127 0.000 2.319 896 L HA 0.294 4.634 4.340 0.000 0.000 0.280 896 L C -1.048 175.999 176.870 0.295 0.000 1.099 896 L CA 0.416 55.352 54.840 0.159 0.000 0.828 896 L CB 0.434 42.493 42.059 0.001 0.000 1.150 896 L HN 0.499 nan 8.230 nan 0.000 0.442 897 Y N 5.714 126.089 120.300 0.125 0.000 2.356 897 Y HA 0.639 5.190 4.550 0.000 0.000 0.334 897 Y C -1.110 174.846 175.900 0.094 0.000 0.958 897 Y CA -1.219 56.956 58.100 0.126 0.000 1.196 897 Y CB 1.303 39.845 38.460 0.136 0.000 1.137 897 Y HN 0.405 nan 8.280 nan 0.000 0.485 898 V N 7.383 127.436 119.914 0.231 0.000 2.384 898 V HA 0.245 4.365 4.120 0.000 0.000 0.287 898 V C -0.421 175.550 176.094 -0.205 0.000 1.020 898 V CA -0.891 61.360 62.300 -0.081 0.000 0.850 898 V CB 1.352 33.109 31.823 -0.108 0.000 0.987 898 V HN 0.582 nan 8.190 nan 0.000 0.436 899 V N 5.848 125.529 119.914 -0.388 0.000 2.334 899 V HA 0.358 4.478 4.120 0.000 0.000 0.267 899 V C -0.286 175.621 176.094 -0.312 0.000 1.040 899 V CA -0.231 61.891 62.300 -0.297 0.000 0.866 899 V CB 0.423 32.018 31.823 -0.380 0.000 1.019 899 V HN 0.669 nan 8.190 nan 0.000 0.468 900 F N 3.313 123.209 119.950 -0.090 0.000 2.434 900 F HA 0.290 4.817 4.527 0.000 0.000 0.358 900 F C 1.076 176.680 175.800 -0.325 0.000 1.136 900 F CA -0.373 57.507 58.000 -0.201 0.000 1.157 900 F CB 0.291 38.904 39.000 -0.644 0.000 1.167 900 F HN 0.496 nan 8.300 nan 0.000 0.539 901 E N 3.634 123.629 120.200 -0.342 0.000 2.217 901 E HA 0.386 4.736 4.350 0.000 0.000 0.279 901 E C -0.118 176.189 176.600 -0.488 0.000 1.068 901 E CA -0.416 55.705 56.400 -0.464 0.000 0.882 901 E CB 1.030 30.406 29.700 -0.540 0.000 1.039 901 E HN 0.497 nan 8.360 nan 0.000 0.418 902 V N -0.217 119.493 119.914 -0.340 0.000 3.087 902 V HA 0.566 4.686 4.120 0.000 0.000 0.311 902 V C -1.028 174.846 176.094 -0.366 0.000 1.333 902 V CA -1.160 61.031 62.300 -0.182 0.000 1.054 902 V CB 0.952 32.798 31.823 0.037 0.000 1.123 902 V HN 0.420 nan 8.190 nan 0.000 0.473 903 F N 1.231 121.153 119.950 -0.048 0.000 2.385 903 F HA 0.636 5.163 4.527 0.000 0.000 0.360 903 F C -0.118 175.659 175.800 -0.037 0.000 1.122 903 F CA -0.056 57.912 58.000 -0.054 0.000 1.090 903 F CB 1.184 40.169 39.000 -0.025 0.000 1.150 903 F HN 0.580 nan 8.300 nan 0.000 0.472 904 D N 4.231 124.635 120.400 0.006 0.000 2.460 904 D HA 0.484 5.124 4.640 0.000 0.000 0.232 904 D C -1.167 175.117 176.300 -0.027 0.000 1.079 904 D CA -0.094 53.884 54.000 -0.037 0.000 0.864 904 D CB 1.104 41.774 40.800 -0.217 0.000 1.048 904 D HN 0.175 nan 8.370 nan 0.000 0.523 905 V N 2.811 122.836 119.914 0.184 0.000 2.823 905 V HA 0.626 4.746 4.120 0.000 0.000 0.312 905 V C -0.321 175.946 176.094 0.289 0.000 1.072 905 V CA -1.022 61.431 62.300 0.255 0.000 0.937 905 V CB 2.103 34.025 31.823 0.164 0.000 1.013 905 V HN 0.288 nan 8.190 nan 0.000 0.430 906 V N 3.651 123.692 119.914 0.211 0.000 2.876 906 V HA 0.704 4.824 4.120 0.000 0.000 0.312 906 V C -0.683 175.371 176.094 -0.067 0.000 1.085 906 V CA -0.646 61.554 62.300 -0.167 0.000 0.945 906 V CB 2.037 33.472 31.823 -0.646 0.000 1.017 906 V HN 0.948 nan 8.190 nan 0.000 0.428 907 R N 4.201 124.637 120.500 -0.106 0.000 2.534 907 R HA 0.765 5.106 4.340 0.000 0.000 0.301 907 R C -2.039 174.242 176.300 -0.031 0.000 0.961 907 R CA -0.402 55.663 56.100 -0.059 0.000 0.871 907 R CB 2.053 32.324 30.300 -0.048 0.000 1.170 907 R HN 0.583 nan 8.270 nan 0.000 0.446 908 V N 3.885 123.808 119.914 0.014 0.000 2.487 908 V HA 0.322 4.442 4.120 0.000 0.000 0.298 908 V C -0.849 175.316 176.094 0.119 0.000 1.028 908 V CA -0.880 61.459 62.300 0.065 0.000 0.860 908 V CB 1.397 33.274 31.823 0.089 0.000 0.991 908 V HN 0.728 nan 8.190 nan 0.000 0.427 909 H N 3.533 122.606 119.070 0.005 0.000 2.529 909 H HA 0.566 5.122 4.556 0.000 0.000 0.348 909 H C -0.610 174.728 175.328 0.017 0.000 1.079 909 H CA -0.577 55.472 56.048 0.001 0.000 1.198 909 H CB 1.827 31.590 29.762 0.001 0.000 1.521 909 H HN 0.641 nan 8.280 nan 0.000 0.514 910 Q N 6.589 126.209 119.800 -0.301 0.000 2.907 910 Q HA 0.196 4.536 4.340 0.000 0.000 0.262 910 Q C -2.094 173.687 176.000 -0.365 0.000 0.997 910 Q CA -1.760 53.904 55.803 -0.231 0.000 0.797 910 Q CB 1.839 30.545 28.738 -0.055 0.000 1.228 910 Q HN 0.613 nan 8.270 nan 0.000 0.466 911 P HA -0.111 nan 4.420 nan 0.000 0.225 911 P C -0.193 176.668 177.300 -0.731 0.000 1.156 911 P CA 1.199 63.910 63.100 -0.648 0.000 0.787 911 P CB 0.631 31.980 31.700 -0.584 0.000 0.802 912 H N -1.691 117.334 119.070 -0.075 0.000 3.008 912 H HA 0.339 4.896 4.556 0.000 0.000 0.354 912 H C -0.146 175.172 175.328 -0.017 0.000 1.252 912 H CA -1.046 54.983 56.048 -0.031 0.000 1.117 912 H CB 1.068 30.816 29.762 -0.024 0.000 1.857 912 H HN -0.227 nan 8.280 nan 0.000 0.547 913 R N 0.040 120.611 120.500 0.118 0.000 2.494 913 R HA 0.097 4.437 4.340 0.000 0.000 0.291 913 R C 1.123 177.420 176.300 -0.004 0.000 0.953 913 R CA 1.768 57.895 56.100 0.045 0.000 1.098 913 R CB -0.370 29.942 30.300 0.020 0.000 0.911 913 R HN 1.022 nan 8.270 nan 0.000 0.407 914 G N 1.717 110.468 108.800 -0.082 0.000 2.168 914 G HA2 -0.266 3.694 3.960 0.000 0.000 0.257 914 G HA3 -0.266 3.694 3.960 0.000 0.000 0.257 914 G C -0.212 174.654 174.900 -0.055 0.000 0.997 914 G CA 0.298 45.242 45.100 -0.261 0.000 0.708 914 G HN 0.461 nan 8.290 nan 0.000 0.520 915 V N 0.909 120.867 119.914 0.073 0.000 2.459 915 V HA 0.772 4.892 4.120 0.000 0.000 0.295 915 V C 0.292 176.464 176.094 0.130 0.000 1.029 915 V CA -0.738 61.621 62.300 0.099 0.000 0.874 915 V CB 2.108 33.984 31.823 0.088 0.000 0.985 915 V HN 0.413 nan 8.190 nan 0.000 0.438 916 I N 3.648 124.303 120.570 0.142 0.000 2.534 916 I HA 0.581 4.751 4.170 0.000 0.000 0.288 916 I C -0.953 175.223 176.117 0.099 0.000 1.077 916 I CA -0.228 61.137 61.300 0.108 0.000 1.051 916 I CB 2.111 40.182 38.000 0.118 0.000 1.234 916 I HN 0.709 nan 8.210 nan 0.000 0.425 917 E N 6.266 126.522 120.200 0.094 0.000 2.224 917 E HA 0.700 5.050 4.350 0.000 0.000 0.265 917 E C -1.173 175.504 176.600 0.129 0.000 0.878 917 E CA -0.757 55.721 56.400 0.129 0.000 0.759 917 E CB 2.255 32.054 29.700 0.165 0.000 1.164 917 E HN 0.626 nan 8.360 nan 0.000 0.414 918 A N 2.498 125.395 122.820 0.129 0.000 2.342 918 A HA 0.661 4.981 4.320 0.000 0.000 0.323 918 A C -0.819 176.827 177.584 0.103 0.000 1.125 918 A CA -0.645 51.437 52.037 0.075 0.000 0.785 918 A CB 1.135 20.177 19.000 0.070 0.000 1.221 918 A HN 0.374 nan 8.150 nan 0.000 0.463 919 V N 2.566 122.488 119.914 0.014 0.000 2.448 919 V HA 0.377 4.498 4.120 0.000 0.000 0.295 919 V C -1.170 174.935 176.094 0.018 0.000 1.025 919 V CA -0.372 61.975 62.300 0.078 0.000 0.859 919 V CB 0.836 32.685 31.823 0.045 0.000 0.988 919 V HN 0.794 nan 8.190 nan 0.000 0.431 920 Y N 4.746 125.117 120.300 0.119 0.000 2.360 920 Y HA 0.742 5.292 4.550 0.000 0.000 0.337 920 Y C -0.231 175.748 175.900 0.131 0.000 1.039 920 Y CA -0.694 57.501 58.100 0.159 0.000 1.109 920 Y CB 1.992 40.566 38.460 0.191 0.000 1.201 920 Y HN 0.548 nan 8.280 nan 0.000 0.458 921 L N 4.557 125.941 121.223 0.268 0.000 2.439 921 L HA 0.551 4.891 4.340 0.000 0.000 0.270 921 L C -1.212 175.780 176.870 0.204 0.000 0.972 921 L CA -0.668 54.288 54.840 0.193 0.000 0.836 921 L CB 1.532 43.663 42.059 0.119 0.000 1.255 921 L HN 0.656 nan 8.230 nan 0.000 0.404 922 R N 2.916 123.527 120.500 0.186 0.000 2.295 922 R HA 0.740 5.080 4.340 0.000 0.000 0.324 922 R C -1.214 175.176 176.300 0.150 0.000 0.968 922 R CA -0.184 56.016 56.100 0.167 0.000 0.837 922 R CB 1.453 31.846 30.300 0.156 0.000 1.133 922 R HN 0.736 nan 8.270 nan 0.000 0.450 923 T N 5.720 120.379 114.554 0.176 0.000 2.993 923 T HA 0.464 4.814 4.350 0.000 0.000 0.312 923 T C -2.678 172.171 174.700 0.248 0.000 1.115 923 T CA -1.735 60.464 62.100 0.165 0.000 1.027 923 T CB 1.682 70.614 68.868 0.107 0.000 1.116 923 T HN 0.445 nan 8.240 nan 0.000 0.464 924 P HA 0.343 nan 4.420 nan 0.000 0.302 924 P C -0.169 177.280 177.300 0.248 0.000 1.301 924 P CA -0.152 63.038 63.100 0.149 0.000 0.745 924 P CB 0.175 31.934 31.700 0.100 0.000 1.331 925 F N -3.597 116.226 119.950 -0.210 0.000 3.040 925 F HA -0.185 4.342 4.527 0.000 0.000 0.298 925 F C 0.739 176.489 175.800 -0.083 0.000 0.948 925 F CA 0.054 57.941 58.000 -0.188 0.000 1.022 925 F CB -2.506 36.405 39.000 -0.149 0.000 1.023 925 F HN 0.015 nan 8.300 nan 0.000 0.742 926 S N 0.310 116.009 115.700 -0.001 0.000 2.566 926 S HA 0.501 4.971 4.470 0.000 0.000 0.280 926 S C 0.720 175.343 174.600 0.038 0.000 1.343 926 S CA -0.144 58.075 58.200 0.031 0.000 1.036 926 S CB 0.749 63.948 63.200 -0.001 0.000 0.866 926 S HN 0.647 nan 8.310 nan 0.000 0.526 927 A N 2.341 125.201 122.820 0.066 0.000 2.498 927 A HA 0.527 4.847 4.320 0.000 0.000 0.239 927 A C 0.950 178.557 177.584 0.038 0.000 1.068 927 A CA 0.101 52.180 52.037 0.069 0.000 0.766 927 A CB -0.271 18.782 19.000 0.088 0.000 1.003 927 A HN 0.888 nan 8.150 nan 0.000 0.497 928 G N 0.370 109.193 108.800 0.038 0.000 2.509 928 G HA2 0.488 4.448 3.960 0.000 0.000 0.269 928 G HA3 0.488 4.448 3.960 0.000 0.000 0.269 928 G C 0.594 175.503 174.900 0.015 0.000 1.416 928 G CA 0.047 45.160 45.100 0.020 0.000 1.052 928 G HN 1.329 nan 8.290 nan 0.000 0.542 929 N N 0.000 118.704 118.700 0.007 0.000 1.763 929 N HA 0.000 4.740 4.740 0.000 0.000 0.220 929 N CA 0.000 53.048 53.050 -0.003 0.000 0.885 929 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 929 N HN 0.000 nan 8.380 nan 0.000 0.667