REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1vsz_1_I DATA FIRST_RESID 2 DATA SEQUENCE ATPSMMPQWS YMHISGQDAS EYLSPGLVQF ARATETYFSL NNKFRNPTVA DATA SEQUENCE PTHDVTTDRS QRLTLRFIPV DREDTAYSYK ARFTLAVGDN RVLDMASTYF DATA SEQUENCE DIRGVLDRGP TFKPYSGTAY NALAPKGAPN PCEWDXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXTHVFGQ APYSGINITK EGIQIGVEGQ TPKYADKTFQ DATA SEQUENCE PEPQIGESQW YETEINHAAG RVLKKTTPMK PCYGSYAKPT NENGGQGILV DATA SEQUENCE KQQNGKLESQ VEMQFFSTTX XXXXXXXNLT PKVVLYSEDV DIETPDTHIS DATA SEQUENCE YMPTIKEGNS RELMGQQSMP NRPNYIAFRD NFIGLMYYNS TGNMGVLAGQ DATA SEQUENCE ASQLNAVVDL QDRNTELSYQ LLLDSIGDRT RYFSMWNQAV DSYDPDVRII DATA SEQUENCE ENHGTEDELP NYCFPLGGVI NTETLTKVKX XXXXXXXWEK DAXXFSDKNE DATA SEQUENCE IRVGNNFAME INLNANLWRN FLYSNIALYL PDKLKYSPSN VKISDNPNTY DATA SEQUENCE DYMNKRVVAP GLVDCYINLG ARWSLDYMDN VNPFNHHRNA GLRYRSMLLG DATA SEQUENCE NGRYVPFHIQ VPQKFFAIKN LLLLPGSYTY EWNFRKDVNM VLQSSLGNDL DATA SEQUENCE RVDGASIKFD SICLYATFFP MAHNTASTLE AMLRNDTNDQ SFNDYLSAAN DATA SEQUENCE MLYPIPANAT NVPISIPSRN WAAFRGWAFT RLKTKETPSL GSGYDPYYTY DATA SEQUENCE SGSIPYLDGT FYLNHTFKKV AITFDSSVSW PGNDRLLTPN EFEIKRSVDG DATA SEQUENCE EGYNVAQCNM TKDWFLVQML ANYNIGYQGF YIPESYKDRM YSFFRNFQPM DATA SEQUENCE SRQVVDDTKY KDYQQVGILH QHNNSGFVGY LAPTMREGQA YPANFPYPLI DATA SEQUENCE GKTAVDSITQ KKFLCDRTLW RIPFSSNFMS MGALTDLGQN LLYANSAHAL DATA SEQUENCE DMTFEVDPMD EPTLLYVLFE VFDVVRVHRP HRGVIETVYL RTPFSAGNA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.570 177.584 -0.023 0.000 1.274 2 A CA 0.000 52.049 52.037 0.020 0.000 0.836 2 A CB 0.000 19.008 19.000 0.013 0.000 0.831 3 T N 2.570 117.100 114.554 -0.041 0.000 4.158 3 T HA 0.506 4.856 4.350 -0.000 0.000 0.284 3 T C -2.334 172.334 174.700 -0.054 0.000 0.649 3 T CA -0.243 61.809 62.100 -0.080 0.000 0.927 3 T CB -0.403 68.350 68.868 -0.192 0.000 1.172 3 T HN 0.767 nan 8.240 nan 0.000 0.479 4 P HA 0.560 nan 4.420 nan 0.000 0.321 4 P C 0.500 177.791 177.300 -0.016 0.000 1.338 4 P CA -0.465 62.622 63.100 -0.022 0.000 0.764 4 P CB 0.415 32.095 31.700 -0.033 0.000 1.641 5 S N -3.012 112.655 115.700 -0.055 0.000 4.163 5 S HA 0.321 4.791 4.470 -0.000 0.000 0.164 5 S C -0.659 173.826 174.600 -0.192 0.000 0.896 5 S CA 0.071 58.210 58.200 -0.102 0.000 1.125 5 S CB -0.186 62.893 63.200 -0.201 0.000 1.698 5 S HN 0.472 nan 8.310 nan 0.000 0.817 6 M N 0.570 119.996 119.600 -0.290 0.000 2.812 6 M HA -0.139 4.341 4.480 -0.000 0.000 0.187 6 M C -0.940 175.171 176.300 -0.316 0.000 1.037 6 M CA 0.333 55.477 55.300 -0.261 0.000 0.675 6 M CB -1.291 31.221 32.600 -0.147 0.000 1.329 6 M HN 0.453 nan 8.290 nan 0.000 0.802 7 M N -0.936 118.354 119.600 -0.516 0.000 5.635 7 M HA 0.259 4.739 4.480 -0.000 0.000 0.661 7 M C -2.119 173.878 176.300 -0.505 0.000 2.438 7 M CA -0.524 54.503 55.300 -0.455 0.000 0.262 7 M CB 0.562 32.938 32.600 -0.373 0.000 1.810 7 M HN -0.154 nan 8.290 nan 0.000 0.707 8 P HA -0.251 nan 4.420 nan 0.000 0.222 8 P C -0.503 176.801 177.300 0.007 0.000 1.147 8 P CA 1.670 64.663 63.100 -0.177 0.000 0.958 8 P CB -0.268 31.354 31.700 -0.129 0.000 0.788 9 Q N -1.850 117.962 119.800 0.021 0.000 2.317 9 Q HA -0.019 4.321 4.340 -0.000 0.000 0.286 9 Q C 0.344 176.510 176.000 0.275 0.000 1.198 9 Q CA 0.478 56.373 55.803 0.153 0.000 0.973 9 Q CB -0.475 28.337 28.738 0.124 0.000 1.207 9 Q HN 0.378 nan 8.270 nan 0.000 0.416 10 W N 1.204 122.551 121.300 0.079 0.000 5.574 10 W HA 0.159 4.819 4.660 -0.000 0.000 0.161 10 W C 0.245 176.798 176.519 0.057 0.000 2.152 10 W CA 0.230 57.605 57.345 0.051 0.000 1.951 10 W CB 0.091 29.570 29.460 0.032 0.000 0.653 10 W HN 0.415 nan 8.180 nan 0.000 1.116 11 S N 1.074 116.979 115.700 0.342 0.000 2.711 11 S HA 0.077 4.547 4.470 -0.000 0.000 0.247 11 S C 0.544 175.300 174.600 0.259 0.000 1.079 11 S CA -0.374 57.921 58.200 0.158 0.000 1.050 11 S CB -0.089 63.152 63.200 0.068 0.000 0.885 11 S HN 0.204 nan 8.310 nan 0.000 0.498 12 Y N 2.979 123.354 120.300 0.125 0.000 2.465 12 Y HA 0.007 4.557 4.550 -0.000 0.000 0.289 12 Y C 1.121 177.052 175.900 0.053 0.000 1.150 12 Y CA 0.779 58.948 58.100 0.115 0.000 1.293 12 Y CB -0.194 38.316 38.460 0.083 0.000 0.977 12 Y HN 0.261 nan 8.280 nan 0.000 0.556 13 M N -0.182 119.435 119.600 0.028 0.000 2.576 13 M HA 0.241 4.721 4.480 -0.000 0.000 0.322 13 M C -0.560 175.503 176.300 -0.394 0.000 1.184 13 M CA -0.116 54.975 55.300 -0.349 0.000 0.967 13 M CB -1.513 30.944 32.600 -0.240 0.000 1.372 13 M HN 0.177 nan 8.290 nan 0.000 0.509 14 H N -1.128 117.892 119.070 -0.084 0.000 2.886 14 H HA -0.104 4.452 4.556 -0.000 0.000 0.294 14 H C 1.005 176.204 175.328 -0.215 0.000 1.246 14 H CA 0.444 56.312 56.048 -0.300 0.000 1.142 14 H CB -2.689 26.771 29.762 -0.503 0.000 1.358 14 H HN 0.461 nan 8.280 nan 0.000 0.406 15 I N -0.810 119.729 120.570 -0.053 0.000 2.928 15 I HA -0.073 4.097 4.170 -0.000 0.000 0.266 15 I C 0.895 176.880 176.117 -0.220 0.000 1.234 15 I CA 0.708 61.933 61.300 -0.125 0.000 1.483 15 I CB 0.203 38.128 38.000 -0.125 0.000 1.097 15 I HN 0.111 nan 8.210 nan 0.000 0.455 16 S N -0.112 115.465 115.700 -0.205 0.000 2.617 16 S HA 0.313 4.783 4.470 -0.000 0.000 0.283 16 S C 1.296 175.806 174.600 -0.149 0.000 1.189 16 S CA -0.221 57.828 58.200 -0.251 0.000 1.036 16 S CB 1.641 64.734 63.200 -0.178 0.000 1.014 16 S HN 0.430 nan 8.310 nan 0.000 0.522 17 G N 1.480 110.203 108.800 -0.129 0.000 3.215 17 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.224 17 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.224 17 G C 0.519 175.404 174.900 -0.025 0.000 1.063 17 G CA 0.892 45.955 45.100 -0.062 0.000 0.687 17 G HN 0.605 nan 8.290 nan 0.000 0.663 18 Q N 1.515 121.295 119.800 -0.034 0.000 2.489 18 Q HA 0.071 4.411 4.340 -0.000 0.000 0.231 18 Q C -0.313 175.718 176.000 0.052 0.000 1.273 18 Q CA -0.102 55.711 55.803 0.016 0.000 0.898 18 Q CB 0.066 28.812 28.738 0.013 0.000 1.545 18 Q HN 0.291 nan 8.270 nan 0.000 0.538 19 D N 0.898 121.351 120.400 0.088 0.000 2.601 19 D HA -0.090 4.550 4.640 -0.000 0.000 0.229 19 D C 1.065 177.534 176.300 0.281 0.000 1.140 19 D CA 0.406 54.478 54.000 0.121 0.000 0.862 19 D CB 0.885 41.730 40.800 0.074 0.000 1.192 19 D HN 0.550 nan 8.370 nan 0.000 0.480 20 A N 2.430 125.422 122.820 0.288 0.000 2.032 20 A HA -0.193 4.127 4.320 -0.000 0.000 0.221 20 A C 2.084 179.694 177.584 0.042 0.000 1.165 20 A CA 1.401 53.666 52.037 0.379 0.000 0.645 20 A CB -0.195 18.939 19.000 0.224 0.000 0.807 20 A HN 0.449 nan 8.150 nan 0.000 0.453 21 S N -0.615 115.116 115.700 0.052 0.000 2.727 21 S HA 0.030 4.500 4.470 -0.000 0.000 0.226 21 S C 0.875 175.451 174.600 -0.041 0.000 0.963 21 S CA 0.978 59.172 58.200 -0.011 0.000 0.950 21 S CB -0.304 62.905 63.200 0.014 0.000 0.779 21 S HN 0.806 nan 8.310 nan 0.000 0.532 22 E N -0.718 119.449 120.200 -0.056 0.000 4.069 22 E HA 0.105 4.455 4.350 -0.000 0.000 0.186 22 E C 1.120 177.577 176.600 -0.239 0.000 1.219 22 E CA -0.046 56.309 56.400 -0.075 0.000 0.751 22 E CB -0.525 29.197 29.700 0.036 0.000 2.924 22 E HN 0.244 nan 8.360 nan 0.000 0.552 23 Y N 2.342 122.587 120.300 -0.091 0.000 2.477 23 Y HA -0.456 4.094 4.550 -0.000 0.000 0.220 23 Y C 1.667 177.483 175.900 -0.139 0.000 1.384 23 Y CA 1.959 59.992 58.100 -0.112 0.000 0.932 23 Y CB -1.863 36.512 38.460 -0.142 0.000 0.714 23 Y HN 0.223 nan 8.280 nan 0.000 0.552 24 L N 0.161 120.552 121.223 -1.386 0.000 2.316 24 L HA -0.305 4.035 4.340 -0.000 0.000 0.248 24 L C 1.314 177.991 176.870 -0.322 0.000 1.076 24 L CA 2.209 56.540 54.840 -0.849 0.000 0.857 24 L CB -1.170 40.352 42.059 -0.896 0.000 0.939 24 L HN 0.492 nan 8.230 nan 0.000 0.419 25 S N -0.894 114.651 115.700 -0.259 0.000 2.673 25 S HA 0.388 4.858 4.470 -0.000 0.000 0.256 25 S C -2.312 172.235 174.600 -0.087 0.000 1.141 25 S CA -0.904 57.228 58.200 -0.114 0.000 1.109 25 S CB 1.217 64.385 63.200 -0.053 0.000 1.101 25 S HN 0.054 nan 8.310 nan 0.000 0.471 26 P HA 0.098 nan 4.420 nan 0.000 0.261 26 P C 1.017 178.305 177.300 -0.020 0.000 1.297 26 P CA 0.454 63.521 63.100 -0.055 0.000 0.757 26 P CB -0.196 31.469 31.700 -0.059 0.000 1.149 27 G N -1.445 107.371 108.800 0.026 0.000 2.743 27 G HA2 0.035 3.995 3.960 -0.000 0.000 0.206 27 G HA3 0.035 3.995 3.960 -0.000 0.000 0.206 27 G C 0.832 175.892 174.900 0.268 0.000 1.115 27 G CA 0.084 45.215 45.100 0.052 0.000 0.782 27 G HN 0.147 nan 8.290 nan 0.000 0.524 28 L N 0.661 122.038 121.223 0.256 0.000 2.664 28 L HA 0.339 4.679 4.340 -0.000 0.000 0.233 28 L C 1.187 178.199 176.870 0.236 0.000 1.113 28 L CA 0.503 55.536 54.840 0.322 0.000 0.896 28 L CB 1.174 43.258 42.059 0.042 0.000 1.163 28 L HN -0.005 nan 8.230 nan 0.000 0.497 29 V N -0.722 119.272 119.914 0.134 0.000 2.982 29 V HA 0.187 4.307 4.120 -0.000 0.000 0.368 29 V C 1.365 177.499 176.094 0.065 0.000 1.350 29 V CA 0.166 62.482 62.300 0.027 0.000 1.251 29 V CB 0.344 32.097 31.823 -0.117 0.000 1.284 29 V HN 0.411 nan 8.190 nan 0.000 0.533 30 Q N 0.079 119.962 119.800 0.138 0.000 2.378 30 Q HA 0.239 4.579 4.340 -0.000 0.000 0.229 30 Q C 0.807 176.683 176.000 -0.206 0.000 0.882 30 Q CA 0.367 56.068 55.803 -0.171 0.000 0.936 30 Q CB 0.458 28.915 28.738 -0.467 0.000 1.092 30 Q HN 0.768 nan 8.270 nan 0.000 0.535 31 F N -0.737 119.205 119.950 -0.013 0.000 2.898 31 F HA 0.414 4.941 4.527 -0.000 0.000 0.290 31 F C 1.168 176.969 175.800 0.001 0.000 1.195 31 F CA -0.479 57.526 58.000 0.008 0.000 1.387 31 F CB 0.229 39.245 39.000 0.027 0.000 0.976 31 F HN -0.008 nan 8.300 nan 0.000 0.510 32 A N 0.098 123.014 122.820 0.161 0.000 2.251 32 A HA 0.191 4.511 4.320 -0.000 0.000 0.209 32 A C 2.074 179.694 177.584 0.061 0.000 1.187 32 A CA 0.469 52.558 52.037 0.087 0.000 0.823 32 A CB -0.018 19.008 19.000 0.044 0.000 0.846 32 A HN 0.306 nan 8.150 nan 0.000 0.486 33 R N -2.722 117.819 120.500 0.068 0.000 3.001 33 R HA 0.218 4.558 4.340 -0.000 0.000 0.160 33 R C 1.891 178.246 176.300 0.091 0.000 0.830 33 R CA 0.874 57.012 56.100 0.065 0.000 1.363 33 R CB -1.016 29.306 30.300 0.037 0.000 1.669 33 R HN 0.318 nan 8.270 nan 0.000 0.553 34 A N 1.448 124.311 122.820 0.072 0.000 2.204 34 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 34 A C 0.848 178.523 177.584 0.152 0.000 1.165 34 A CA 2.213 54.294 52.037 0.074 0.000 0.671 34 A CB -0.319 18.693 19.000 0.020 0.000 0.792 34 A HN 0.350 nan 8.150 nan 0.000 0.473 35 T N -3.333 111.329 114.554 0.180 0.000 4.001 35 T HA 0.415 4.765 4.350 -0.000 0.000 0.230 35 T C -0.506 174.119 174.700 -0.125 0.000 0.576 35 T CA 0.243 62.458 62.100 0.192 0.000 0.893 35 T CB 0.172 69.162 68.868 0.202 0.000 1.284 35 T HN 0.206 nan 8.240 nan 0.000 0.491 36 E N 1.311 121.348 120.200 -0.271 0.000 3.151 36 E HA 0.258 4.608 4.350 -0.000 0.000 0.246 36 E C 1.610 178.087 176.600 -0.206 0.000 1.150 36 E CA 0.526 56.773 56.400 -0.255 0.000 1.806 36 E CB 0.042 29.723 29.700 -0.032 0.000 2.295 36 E HN 0.429 nan 8.360 nan 0.000 1.000 37 T N 0.608 115.145 114.554 -0.030 0.000 3.052 37 T HA -0.122 4.228 4.350 -0.000 0.000 0.270 37 T C 1.002 175.758 174.700 0.094 0.000 1.147 37 T CA 1.573 63.701 62.100 0.046 0.000 1.089 37 T CB -0.287 68.633 68.868 0.088 0.000 0.875 37 T HN 0.356 nan 8.240 nan 0.000 0.541 38 Y N -2.676 117.677 120.300 0.089 0.000 2.444 38 Y HA 0.514 5.064 4.550 -0.000 0.000 0.252 38 Y C 0.651 176.705 175.900 0.257 0.000 1.091 38 Y CA -1.100 57.059 58.100 0.100 0.000 1.276 38 Y CB 0.146 38.612 38.460 0.011 0.000 1.170 38 Y HN 0.150 nan 8.280 nan 0.000 0.517 39 F N 2.039 121.632 119.950 -0.595 0.000 2.471 39 F HA 0.381 4.908 4.527 -0.000 0.000 0.318 39 F C 0.219 175.885 175.800 -0.223 0.000 1.308 39 F CA -1.176 56.593 58.000 -0.386 0.000 1.162 39 F CB 0.588 39.255 39.000 -0.555 0.000 1.383 39 F HN -0.145 nan 8.300 nan 0.000 0.552 40 S N 3.224 118.937 115.700 0.022 0.000 2.946 40 S HA 0.027 4.497 4.470 -0.000 0.000 0.349 40 S C 0.664 175.250 174.600 -0.023 0.000 1.189 40 S CA 0.403 58.603 58.200 0.001 0.000 1.285 40 S CB -0.127 63.081 63.200 0.014 0.000 1.010 40 S HN 0.538 nan 8.310 nan 0.000 0.538 41 L N 2.739 123.963 121.223 0.003 0.000 3.429 41 L HA 0.283 4.623 4.340 -0.000 0.000 0.311 41 L C 0.498 177.426 176.870 0.096 0.000 1.274 41 L CA -0.147 54.711 54.840 0.030 0.000 1.037 41 L CB -0.265 41.809 42.059 0.025 0.000 1.433 41 L HN 0.409 nan 8.230 nan 0.000 0.614 42 N N 1.470 120.210 118.700 0.067 0.000 2.416 42 N HA -0.014 4.726 4.740 -0.000 0.000 0.215 42 N C 0.768 176.331 175.510 0.088 0.000 1.208 42 N CA 0.355 53.453 53.050 0.079 0.000 0.834 42 N CB 0.107 38.624 38.487 0.050 0.000 1.072 42 N HN 0.548 nan 8.380 nan 0.000 0.472 43 N N -1.558 117.200 118.700 0.096 0.000 1.895 43 N HA -0.020 4.720 4.740 -0.000 0.000 0.243 43 N C 0.433 175.961 175.510 0.029 0.000 1.350 43 N CA -0.277 52.812 53.050 0.065 0.000 0.789 43 N CB -0.006 38.492 38.487 0.019 0.000 1.195 43 N HN -0.147 nan 8.380 nan 0.000 0.489 44 K N -0.031 120.381 120.400 0.020 0.000 2.640 44 K HA 0.047 4.367 4.320 -0.000 0.000 0.193 44 K C -0.872 175.441 176.600 -0.478 0.000 1.036 44 K CA 0.771 56.955 56.287 -0.171 0.000 0.962 44 K CB -0.331 32.105 32.500 -0.107 0.000 0.791 44 K HN 0.232 nan 8.250 nan 0.000 0.491 45 F N -0.227 119.741 119.950 0.030 0.000 2.741 45 F HA 0.220 4.747 4.527 -0.000 0.000 0.313 45 F C -0.458 175.375 175.800 0.055 0.000 1.153 45 F CA -1.405 56.638 58.000 0.071 0.000 0.931 45 F CB 1.070 40.153 39.000 0.139 0.000 1.335 45 F HN -0.184 nan 8.300 nan 0.000 0.460 46 R N 0.783 121.451 120.500 0.280 0.000 2.254 46 R HA 0.484 4.824 4.340 -0.000 0.000 0.318 46 R C -1.188 175.215 176.300 0.173 0.000 1.031 46 R CA -0.553 55.636 56.100 0.149 0.000 0.905 46 R CB 0.522 30.870 30.300 0.080 0.000 1.050 46 R HN 0.518 nan 8.270 nan 0.000 0.456 47 N N 4.241 123.012 118.700 0.119 0.000 2.415 47 N HA 0.189 4.929 4.740 -0.000 0.000 0.246 47 N C -2.296 173.250 175.510 0.060 0.000 1.078 47 N CA -1.899 51.212 53.050 0.101 0.000 0.942 47 N CB 0.865 39.398 38.487 0.076 0.000 1.140 47 N HN 0.449 nan 8.380 nan 0.000 0.501 48 P HA -0.110 nan 4.420 nan 0.000 0.252 48 P C -0.838 176.462 177.300 -0.000 0.000 1.136 48 P CA 0.748 63.853 63.100 0.009 0.000 0.778 48 P CB 0.064 31.765 31.700 0.001 0.000 0.722 49 T N 1.531 116.077 114.554 -0.013 0.000 3.416 49 T HA 0.288 4.638 4.350 -0.000 0.000 0.245 49 T C 0.278 174.963 174.700 -0.025 0.000 1.081 49 T CA -0.416 61.677 62.100 -0.013 0.000 1.190 49 T CB 0.012 68.877 68.868 -0.006 0.000 1.068 49 T HN -0.008 nan 8.240 nan 0.000 0.580 50 V N 1.649 121.541 119.914 -0.037 0.000 2.743 50 V HA 0.837 4.957 4.120 -0.000 0.000 0.301 50 V C 0.496 176.576 176.094 -0.023 0.000 1.057 50 V CA -0.835 61.438 62.300 -0.046 0.000 1.006 50 V CB 1.492 33.264 31.823 -0.085 0.000 1.024 50 V HN 0.741 nan 8.190 nan 0.000 0.473 51 A N 4.439 127.251 122.820 -0.014 0.000 2.299 51 A HA 0.938 5.258 4.320 -0.000 0.000 0.332 51 A C -2.143 175.454 177.584 0.021 0.000 1.131 51 A CA -1.358 50.684 52.037 0.009 0.000 0.844 51 A CB 0.252 19.265 19.000 0.021 0.000 1.251 51 A HN 0.765 nan 8.150 nan 0.000 0.486 52 P HA 0.515 nan 4.420 nan 0.000 0.300 52 P C 0.206 177.558 177.300 0.088 0.000 1.294 52 P CA 0.044 63.181 63.100 0.063 0.000 0.757 52 P CB 0.290 32.026 31.700 0.061 0.000 1.377 53 T N -3.828 110.811 114.554 0.142 0.000 2.560 53 T HA 0.212 4.562 4.350 -0.000 0.000 0.208 53 T C 0.058 174.901 174.700 0.240 0.000 0.757 53 T CA -0.595 61.615 62.100 0.184 0.000 1.366 53 T CB -0.887 68.105 68.868 0.206 0.000 1.689 53 T HN 0.683 nan 8.240 nan 0.000 0.447 54 H N 1.056 120.152 119.070 0.042 0.000 3.031 54 H HA 0.146 4.702 4.556 -0.000 0.000 0.381 54 H C 0.212 175.569 175.328 0.048 0.000 1.434 54 H CA 0.482 56.556 56.048 0.043 0.000 1.428 54 H CB -0.229 29.557 29.762 0.039 0.000 1.395 54 H HN 0.785 nan 8.280 nan 0.000 0.590 55 D N -1.159 119.291 120.400 0.083 0.000 3.012 55 D HA -0.216 4.424 4.640 -0.000 0.000 0.222 55 D C 0.205 176.533 176.300 0.045 0.000 1.167 55 D CA 1.463 55.472 54.000 0.015 0.000 0.854 55 D CB -0.818 39.929 40.800 -0.089 0.000 1.107 55 D HN 0.506 nan 8.370 nan 0.000 0.421 56 V N -4.554 115.406 119.914 0.077 0.000 4.454 56 V HA 0.291 4.411 4.120 -0.000 0.000 0.159 56 V C 1.395 177.538 176.094 0.083 0.000 1.262 56 V CA 0.328 62.690 62.300 0.104 0.000 1.223 56 V CB -0.666 31.234 31.823 0.128 0.000 1.452 56 V HN 0.329 nan 8.190 nan 0.000 0.595 57 T N 1.928 116.513 114.554 0.051 0.000 2.856 57 T HA 0.335 4.685 4.350 -0.000 0.000 0.306 57 T C 0.170 174.855 174.700 -0.026 0.000 1.062 57 T CA 0.426 62.505 62.100 -0.034 0.000 1.083 57 T CB 0.491 69.344 68.868 -0.025 0.000 0.984 57 T HN 0.601 nan 8.240 nan 0.000 0.542 58 T N 2.344 116.851 114.554 -0.079 0.000 2.743 58 T HA 0.306 4.656 4.350 -0.000 0.000 0.293 58 T C 0.238 174.918 174.700 -0.033 0.000 0.945 58 T CA -0.762 61.306 62.100 -0.053 0.000 1.030 58 T CB 1.087 69.895 68.868 -0.099 0.000 0.912 58 T HN 0.652 nan 8.240 nan 0.000 0.483 59 D N 2.140 122.541 120.400 0.002 0.000 2.162 59 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 59 D C 1.526 177.824 176.300 -0.003 0.000 0.964 59 D CA 0.710 54.715 54.000 0.007 0.000 0.847 59 D CB 0.114 40.933 40.800 0.030 0.000 0.988 59 D HN 0.317 nan 8.370 nan 0.000 0.480 60 R N 0.943 121.442 120.500 -0.002 0.000 0.725 60 R HA 0.425 4.765 4.340 -0.000 0.000 0.054 60 R C 1.156 177.431 176.300 -0.042 0.000 0.611 60 R CA 0.234 56.326 56.100 -0.013 0.000 2.152 60 R CB -0.652 29.646 30.300 -0.004 0.000 0.594 60 R HN 0.172 nan 8.270 nan 0.000 0.790 61 S N -1.099 114.566 115.700 -0.059 0.000 2.561 61 S HA 0.525 4.995 4.470 -0.000 0.000 0.282 61 S C -0.545 173.981 174.600 -0.123 0.000 1.123 61 S CA -0.819 57.332 58.200 -0.081 0.000 1.011 61 S CB 1.164 64.321 63.200 -0.072 0.000 1.244 61 S HN 0.352 nan 8.310 nan 0.000 0.503 62 Q N -1.015 118.696 119.800 -0.148 0.000 2.896 62 Q HA 0.244 4.584 4.340 -0.000 0.000 0.241 62 Q C -2.116 173.741 176.000 -0.238 0.000 0.999 62 Q CA -0.509 55.158 55.803 -0.227 0.000 0.912 62 Q CB 1.547 30.130 28.738 -0.259 0.000 2.012 62 Q HN 0.603 nan 8.270 nan 0.000 0.489 63 R N 2.533 122.840 120.500 -0.323 0.000 2.275 63 R HA 0.449 4.789 4.340 -0.000 0.000 0.326 63 R C 0.343 176.445 176.300 -0.329 0.000 0.973 63 R CA -0.070 55.877 56.100 -0.255 0.000 0.854 63 R CB -0.030 30.163 30.300 -0.178 0.000 1.156 63 R HN 0.635 nan 8.270 nan 0.000 0.487 64 L N 0.893 121.998 121.223 -0.197 0.000 2.038 64 L HA 0.166 4.506 4.340 -0.000 0.000 0.205 64 L C 0.785 177.658 176.870 0.005 0.000 1.151 64 L CA 0.524 55.321 54.840 -0.071 0.000 0.799 64 L CB -0.921 41.141 42.059 0.004 0.000 0.926 64 L HN 0.588 nan 8.230 nan 0.000 0.457 65 T N 1.518 116.076 114.554 0.007 0.000 2.905 65 T HA 0.354 4.704 4.350 -0.000 0.000 0.299 65 T C -0.533 174.137 174.700 -0.050 0.000 1.024 65 T CA -0.359 61.747 62.100 0.010 0.000 1.151 65 T CB -0.018 68.866 68.868 0.026 0.000 0.987 65 T HN 0.269 nan 8.240 nan 0.000 0.535 66 L N 0.509 121.659 121.223 -0.122 0.000 2.588 66 L HA 0.611 4.951 4.340 -0.000 0.000 0.263 66 L C -0.629 175.858 176.870 -0.638 0.000 0.935 66 L CA -1.273 53.398 54.840 -0.281 0.000 0.891 66 L CB 2.040 43.960 42.059 -0.232 0.000 1.318 66 L HN 0.773 nan 8.230 nan 0.000 0.409 67 R N 3.107 123.212 120.500 -0.658 0.000 2.295 67 R HA 0.616 4.956 4.340 -0.000 0.000 0.324 67 R C -1.258 174.674 176.300 -0.614 0.000 0.968 67 R CA -0.407 55.096 56.100 -0.994 0.000 0.837 67 R CB 0.776 30.608 30.300 -0.781 0.000 1.133 67 R HN 0.765 nan 8.270 nan 0.000 0.450 68 F N 3.658 123.347 119.950 -0.435 0.000 2.190 68 F HA 0.524 5.051 4.527 -0.000 0.000 0.286 68 F C 0.545 176.370 175.800 0.041 0.000 1.025 68 F CA -0.845 57.043 58.000 -0.186 0.000 1.135 68 F CB 0.561 39.354 39.000 -0.345 0.000 1.748 68 F HN 0.390 nan 8.300 nan 0.000 0.542 69 I N -0.086 120.893 120.570 0.682 0.000 2.411 69 I HA 0.074 4.244 4.170 -0.000 0.000 0.309 69 I C -2.763 173.586 176.117 0.387 0.000 2.094 69 I CA -1.023 60.642 61.300 0.608 0.000 0.973 69 I CB 1.750 39.924 38.000 0.291 0.000 1.690 69 I HN 0.149 nan 8.210 nan 0.000 0.595 70 P HA 0.352 nan 4.420 nan 0.000 0.281 70 P C 0.510 177.779 177.300 -0.052 0.000 1.249 70 P CA -0.277 62.709 63.100 -0.191 0.000 0.810 70 P CB 1.504 32.967 31.700 -0.395 0.000 1.008 71 V N -0.623 119.252 119.914 -0.064 0.000 2.261 71 V HA 0.026 4.146 4.120 -0.000 0.000 0.235 71 V C 0.596 176.669 176.094 -0.034 0.000 1.044 71 V CA 1.188 63.471 62.300 -0.029 0.000 1.007 71 V CB -1.690 30.118 31.823 -0.026 0.000 0.647 71 V HN 0.268 nan 8.190 nan 0.000 0.462 72 D N 1.855 122.224 120.400 -0.051 0.000 2.368 72 D HA 0.176 4.816 4.640 -0.000 0.000 0.268 72 D C 0.265 176.529 176.300 -0.061 0.000 1.298 72 D CA 0.447 54.415 54.000 -0.052 0.000 0.938 72 D CB -0.160 40.605 40.800 -0.059 0.000 1.101 72 D HN 0.281 nan 8.370 nan 0.000 0.509 73 R N 3.547 124.020 120.500 -0.044 0.000 2.272 73 R HA 0.096 4.436 4.340 -0.000 0.000 0.334 73 R C -0.074 176.179 176.300 -0.078 0.000 1.117 73 R CA 0.040 56.114 56.100 -0.045 0.000 0.966 73 R CB 0.261 30.554 30.300 -0.012 0.000 1.049 73 R HN 0.500 nan 8.270 nan 0.000 0.477 74 E N 2.514 122.621 120.200 -0.154 0.000 2.759 74 E HA 0.077 4.427 4.350 -0.000 0.000 0.318 74 E C -0.750 175.630 176.600 -0.366 0.000 1.093 74 E CA -0.506 55.784 56.400 -0.185 0.000 0.762 74 E CB 0.810 30.427 29.700 -0.139 0.000 1.543 74 E HN 0.298 nan 8.360 nan 0.000 0.381 75 D N 1.685 121.899 120.400 -0.311 0.000 2.315 75 D HA -0.109 4.531 4.640 -0.000 0.000 0.211 75 D C 0.151 176.335 176.300 -0.192 0.000 0.977 75 D CA 1.458 55.235 54.000 -0.371 0.000 0.894 75 D CB -0.141 40.794 40.800 0.224 0.000 0.910 75 D HN 0.530 nan 8.370 nan 0.000 0.490 76 T N -0.835 113.645 114.554 -0.124 0.000 0.541 76 T HA -0.165 4.185 4.350 -0.000 0.000 0.774 76 T C 1.182 175.915 174.700 0.055 0.000 0.992 76 T CA 0.416 62.483 62.100 -0.055 0.000 4.077 76 T CB -0.417 68.389 68.868 -0.104 0.000 2.303 76 T HN 0.238 nan 8.240 nan 0.000 0.398 77 A N 1.229 124.084 122.820 0.059 0.000 2.032 77 A HA -0.005 4.315 4.320 -0.000 0.000 0.221 77 A C 1.398 179.166 177.584 0.306 0.000 1.165 77 A CA 2.652 54.779 52.037 0.150 0.000 0.645 77 A CB -0.663 18.419 19.000 0.136 0.000 0.807 77 A HN 1.895 nan 8.150 nan 0.000 0.453 78 Y N -3.566 116.823 120.300 0.148 0.000 3.027 78 Y HA 0.231 4.781 4.550 -0.000 0.000 0.315 78 Y C 0.618 176.649 175.900 0.220 0.000 0.943 78 Y CA 0.409 58.632 58.100 0.205 0.000 1.173 78 Y CB -0.388 38.232 38.460 0.267 0.000 1.426 78 Y HN 0.289 nan 8.280 nan 0.000 0.574 79 S N -0.161 115.532 115.700 -0.012 0.000 4.225 79 S HA 0.602 5.072 4.470 -0.000 0.000 0.215 79 S C -1.247 173.507 174.600 0.255 0.000 1.051 79 S CA -0.280 57.969 58.200 0.082 0.000 1.729 79 S CB 1.176 64.257 63.200 -0.199 0.000 0.892 79 S HN 0.354 nan 8.310 nan 0.000 0.720 80 Y N 0.825 121.136 120.300 0.018 0.000 2.266 80 Y HA 0.342 4.892 4.550 -0.000 0.000 0.321 80 Y C -1.307 174.603 175.900 0.017 0.000 1.194 80 Y CA -0.362 57.786 58.100 0.081 0.000 1.430 80 Y CB 0.862 39.485 38.460 0.272 0.000 1.240 80 Y HN 0.494 nan 8.280 nan 0.000 0.420 81 K N 3.181 123.552 120.400 -0.047 0.000 2.253 81 K HA 0.861 5.181 4.320 -0.000 0.000 0.277 81 K C -0.783 175.796 176.600 -0.036 0.000 1.053 81 K CA -0.438 55.818 56.287 -0.052 0.000 0.892 81 K CB 1.180 33.620 32.500 -0.100 0.000 1.102 81 K HN 0.490 nan 8.250 nan 0.000 0.469 82 A N 3.380 126.196 122.820 -0.007 0.000 2.500 82 A HA 0.265 4.585 4.320 -0.000 0.000 0.288 82 A C -1.054 176.383 177.584 -0.245 0.000 1.045 82 A CA -0.820 51.149 52.037 -0.113 0.000 0.830 82 A CB 0.938 19.904 19.000 -0.056 0.000 1.337 82 A HN 0.738 nan 8.150 nan 0.000 0.400 83 R N 2.172 122.538 120.500 -0.222 0.000 2.220 83 R HA 0.520 4.860 4.340 -0.000 0.000 0.340 83 R C -1.677 174.514 176.300 -0.181 0.000 1.076 83 R CA 0.039 56.052 56.100 -0.144 0.000 0.920 83 R CB -0.453 29.809 30.300 -0.063 0.000 1.062 83 R HN 0.470 nan 8.270 nan 0.000 0.469 84 F N 5.213 125.225 119.950 0.102 0.000 2.384 84 F HA 0.173 4.700 4.527 -0.000 0.000 0.359 84 F C 1.166 176.867 175.800 -0.164 0.000 1.143 84 F CA -0.606 57.370 58.000 -0.040 0.000 1.216 84 F CB 0.653 39.608 39.000 -0.075 0.000 1.512 84 F HN 0.599 nan 8.300 nan 0.000 0.573 85 T N 0.388 114.952 114.554 0.018 0.000 2.625 85 T HA 0.369 4.719 4.350 -0.000 0.000 0.357 85 T C -0.413 174.209 174.700 -0.131 0.000 1.053 85 T CA -0.330 61.754 62.100 -0.027 0.000 1.037 85 T CB 1.237 70.104 68.868 -0.000 0.000 1.123 85 T HN 0.410 nan 8.240 nan 0.000 0.520 86 L N -1.868 119.323 121.223 -0.053 0.000 3.041 86 L HA 0.678 5.018 4.340 -0.000 0.000 0.278 86 L C -1.864 175.018 176.870 0.020 0.000 1.051 86 L CA -0.137 54.681 54.840 -0.036 0.000 0.957 86 L CB 1.253 43.305 42.059 -0.011 0.000 1.538 86 L HN 1.353 nan 8.230 nan 0.000 0.393 87 A N 1.214 124.068 122.820 0.057 0.000 2.330 87 A HA 0.537 4.857 4.320 -0.000 0.000 0.303 87 A C -0.448 177.197 177.584 0.102 0.000 1.150 87 A CA 0.208 52.279 52.037 0.057 0.000 0.921 87 A CB -0.073 18.953 19.000 0.043 0.000 1.462 87 A HN 0.802 nan 8.150 nan 0.000 0.388 88 V N 1.285 121.276 119.914 0.128 0.000 3.623 88 V HA 0.173 4.293 4.120 -0.000 0.000 0.271 88 V C 1.726 177.907 176.094 0.144 0.000 1.248 88 V CA 0.618 63.023 62.300 0.175 0.000 1.156 88 V CB -0.953 31.012 31.823 0.235 0.000 0.870 88 V HN 1.430 nan 8.190 nan 0.000 0.453 89 G N 1.439 110.294 108.800 0.091 0.000 2.886 89 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.276 89 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.276 89 G C -0.032 174.922 174.900 0.089 0.000 0.382 89 G CA 0.522 45.664 45.100 0.071 0.000 1.168 89 G HN 0.569 nan 8.290 nan 0.000 0.205 90 D N 0.939 121.389 120.400 0.083 0.000 2.139 90 D HA -0.240 4.400 4.640 -0.000 0.000 0.084 90 D C 1.348 177.709 176.300 0.102 0.000 0.921 90 D CA 1.946 55.999 54.000 0.088 0.000 0.369 90 D CB 0.267 41.108 40.800 0.068 0.000 0.805 90 D HN 0.796 nan 8.370 nan 0.000 0.295 91 N N -0.553 118.212 118.700 0.109 0.000 2.693 91 N HA -0.287 4.453 4.740 -0.000 0.000 0.249 91 N C -0.559 175.120 175.510 0.282 0.000 1.119 91 N CA 0.667 53.793 53.050 0.127 0.000 0.717 91 N CB -0.496 37.996 38.487 0.008 0.000 1.071 91 N HN 0.265 nan 8.380 nan 0.000 0.555 92 R N 0.336 121.021 120.500 0.308 0.000 2.507 92 R HA 0.471 4.811 4.340 -0.000 0.000 0.298 92 R C -1.176 175.237 176.300 0.188 0.000 1.087 92 R CA -0.361 56.034 56.100 0.492 0.000 0.917 92 R CB 1.581 32.107 30.300 0.377 0.000 1.173 92 R HN 0.009 nan 8.270 nan 0.000 0.472 93 V N 3.235 123.080 119.914 -0.115 0.000 2.567 93 V HA 0.534 4.654 4.120 -0.000 0.000 0.298 93 V C -1.252 174.545 176.094 -0.494 0.000 1.047 93 V CA -0.894 61.280 62.300 -0.210 0.000 0.880 93 V CB 1.844 33.607 31.823 -0.101 0.000 1.009 93 V HN 0.482 nan 8.190 nan 0.000 0.429 94 L N 3.071 124.113 121.223 -0.302 0.000 2.349 94 L HA 0.649 4.989 4.340 -0.000 0.000 0.278 94 L C -0.146 176.647 176.870 -0.129 0.000 0.996 94 L CA -0.096 54.577 54.840 -0.279 0.000 0.825 94 L CB 1.644 43.594 42.059 -0.182 0.000 1.243 94 L HN 0.813 nan 8.230 nan 0.000 0.412 95 D N 4.887 125.220 120.400 -0.112 0.000 2.383 95 D HA 0.023 4.663 4.640 -0.000 0.000 0.275 95 D C 0.546 176.830 176.300 -0.027 0.000 1.344 95 D CA 0.171 54.134 54.000 -0.061 0.000 0.984 95 D CB 0.467 41.239 40.800 -0.046 0.000 1.104 95 D HN 0.549 nan 8.370 nan 0.000 0.524 96 M N 2.682 122.268 119.600 -0.023 0.000 3.584 96 M HA 0.280 4.760 4.480 -0.000 0.000 0.190 96 M C 0.429 176.751 176.300 0.037 0.000 1.679 96 M CA 0.200 55.511 55.300 0.018 0.000 1.744 96 M CB 0.319 32.930 32.600 0.018 0.000 1.228 96 M HN 0.257 nan 8.290 nan 0.000 0.532 97 A N -0.334 122.514 122.820 0.046 0.000 2.480 97 A HA 0.220 4.540 4.320 -0.000 0.000 0.191 97 A C 1.697 179.341 177.584 0.101 0.000 1.503 97 A CA -0.109 51.968 52.037 0.066 0.000 1.110 97 A CB 0.100 19.123 19.000 0.039 0.000 1.401 97 A HN 0.568 nan 8.150 nan 0.000 0.533 98 S N 1.215 116.965 115.700 0.083 0.000 2.561 98 S HA 0.032 4.502 4.470 -0.000 0.000 0.225 98 S C 1.089 175.767 174.600 0.129 0.000 0.977 98 S CA 0.819 59.078 58.200 0.099 0.000 0.926 98 S CB -0.723 62.521 63.200 0.075 0.000 0.769 98 S HN 0.823 nan 8.310 nan 0.000 0.533 99 T N 0.983 115.609 114.554 0.118 0.000 2.752 99 T HA 0.476 4.826 4.350 -0.000 0.000 0.295 99 T C -0.554 174.255 174.700 0.181 0.000 0.923 99 T CA -0.617 61.534 62.100 0.085 0.000 1.112 99 T CB -0.086 68.810 68.868 0.047 0.000 0.884 99 T HN 0.491 nan 8.240 nan 0.000 0.525 100 Y N 3.328 123.618 120.300 -0.017 0.000 2.829 100 Y HA 0.797 5.347 4.550 -0.000 0.000 0.322 100 Y C -1.990 174.076 175.900 0.278 0.000 1.357 100 Y CA -2.161 56.086 58.100 0.245 0.000 1.081 100 Y CB 1.628 40.212 38.460 0.206 0.000 1.339 100 Y HN 0.666 nan 8.280 nan 0.000 0.469 101 F N 0.672 119.744 119.950 -1.464 0.000 2.719 101 F HA 0.362 4.889 4.527 -0.000 0.000 0.309 101 F C -1.381 173.661 175.800 -1.264 0.000 1.138 101 F CA -1.486 55.811 58.000 -1.173 0.000 0.943 101 F CB 1.437 40.200 39.000 -0.395 0.000 1.304 101 F HN 0.633 nan 8.300 nan 0.000 0.445 102 D N 0.826 120.953 120.400 -0.456 0.000 2.478 102 D HA 0.759 5.399 4.640 -0.000 0.000 0.263 102 D C -1.015 175.231 176.300 -0.090 0.000 1.153 102 D CA -0.234 53.643 54.000 -0.204 0.000 1.038 102 D CB 2.335 43.164 40.800 0.048 0.000 1.120 102 D HN 0.508 nan 8.370 nan 0.000 0.564 103 I N -1.085 119.474 120.570 -0.018 0.000 3.004 103 I HA 0.384 4.554 4.170 -0.000 0.000 0.305 103 I C 0.038 176.228 176.117 0.121 0.000 1.312 103 I CA -0.715 60.605 61.300 0.032 0.000 0.992 103 I CB 2.251 40.244 38.000 -0.011 0.000 1.282 103 I HN 0.259 nan 8.210 nan 0.000 0.449 104 R N 1.602 122.140 120.500 0.063 0.000 3.076 104 R HA 0.910 5.250 4.340 -0.000 0.000 0.239 104 R C -0.850 175.223 176.300 -0.379 0.000 1.392 104 R CA -0.805 55.239 56.100 -0.094 0.000 1.044 104 R CB 1.557 31.855 30.300 -0.003 0.000 1.389 104 R HN 0.933 nan 8.270 nan 0.000 0.498 105 G N 0.180 108.719 108.800 -0.434 0.000 3.225 105 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.686 105 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.686 105 G C -0.003 174.448 174.900 -0.749 0.000 1.105 105 G CA -0.354 44.450 45.100 -0.493 0.000 0.831 105 G HN 0.293 nan 8.290 nan 0.000 0.578 106 V N 2.784 122.482 119.914 -0.359 0.000 4.156 106 V HA 0.525 4.645 4.120 -0.000 0.000 0.266 106 V C 1.346 177.369 176.094 -0.118 0.000 0.846 106 V CA 1.353 63.532 62.300 -0.203 0.000 0.872 106 V CB -0.159 31.601 31.823 -0.105 0.000 1.145 106 V HN 1.632 nan 8.190 nan 0.000 0.401 107 L N -1.698 119.476 121.223 -0.081 0.000 2.861 107 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 107 L C -1.439 175.261 176.870 -0.284 0.000 0.892 107 L CA -0.024 54.788 54.840 -0.047 0.000 1.076 107 L CB 1.425 43.559 42.059 0.124 0.000 1.642 107 L HN 0.775 nan 8.230 nan 0.000 0.344 108 D N 0.769 121.012 120.400 -0.261 0.000 4.404 108 D HA 0.027 4.667 4.640 -0.000 0.000 0.212 108 D C -0.508 175.666 176.300 -0.211 0.000 1.442 108 D CA -0.245 53.532 54.000 -0.371 0.000 1.053 108 D CB 0.617 41.222 40.800 -0.326 0.000 1.282 108 D HN 0.492 nan 8.370 nan 0.000 0.916 109 R N 0.953 121.310 120.500 -0.238 0.000 3.501 109 R HA 0.060 4.400 4.340 -0.000 0.000 0.332 109 R C 0.933 177.033 176.300 -0.333 0.000 0.776 109 R CA 0.951 56.817 56.100 -0.389 0.000 1.007 109 R CB -0.547 29.332 30.300 -0.701 0.000 0.929 109 R HN 0.299 nan 8.270 nan 0.000 0.372 110 G N 6.270 114.983 108.800 -0.146 0.000 2.925 110 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.316 110 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.316 110 G C -1.209 173.812 174.900 0.203 0.000 0.265 110 G CA -0.846 44.253 45.100 -0.001 0.000 1.208 110 G HN 0.537 nan 8.290 nan 0.000 0.208 111 P HA -0.159 nan 4.420 nan 0.000 0.218 111 P C 1.790 179.171 177.300 0.134 0.000 1.146 111 P CA 1.584 64.848 63.100 0.274 0.000 0.813 111 P CB -0.011 31.771 31.700 0.137 0.000 0.778 112 T N 0.315 114.900 114.554 0.052 0.000 2.803 112 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 112 T C 1.102 175.665 174.700 -0.227 0.000 1.052 112 T CA 0.817 62.829 62.100 -0.147 0.000 1.136 112 T CB -1.070 67.705 68.868 -0.154 0.000 0.864 112 T HN 0.266 nan 8.240 nan 0.000 0.467 113 F N 2.142 121.971 119.950 -0.201 0.000 2.234 113 F HA 0.265 4.792 4.527 -0.000 0.000 0.265 113 F C 0.327 176.028 175.800 -0.165 0.000 1.172 113 F CA -0.574 57.330 58.000 -0.160 0.000 1.286 113 F CB 0.201 39.153 39.000 -0.081 0.000 1.567 113 F HN 0.015 nan 8.300 nan 0.000 0.483 114 K N 0.468 120.407 120.400 -0.768 0.000 2.545 114 K HA 0.206 4.526 4.320 -0.000 0.000 0.291 114 K C -2.906 173.459 176.600 -0.391 0.000 1.093 114 K CA -1.101 54.692 56.287 -0.823 0.000 1.012 114 K CB 1.574 33.800 32.500 -0.457 0.000 1.354 114 K HN 0.313 nan 8.250 nan 0.000 0.460 115 P HA 0.109 nan 4.420 nan 0.000 0.249 115 P C -1.058 176.243 177.300 0.002 0.000 1.593 115 P CA 0.317 63.421 63.100 0.007 0.000 0.896 115 P CB -0.539 31.219 31.700 0.097 0.000 1.581 116 Y N -4.971 115.236 120.300 -0.154 0.000 3.113 116 Y HA 0.448 4.998 4.550 -0.000 0.000 0.418 116 Y C -1.938 173.679 175.900 -0.471 0.000 1.250 116 Y CA -2.016 56.010 58.100 -0.124 0.000 1.142 116 Y CB -0.626 37.810 38.460 -0.039 0.000 2.347 116 Y HN -0.271 nan 8.280 nan 0.000 0.405 117 S N 0.467 116.173 115.700 0.010 0.000 2.536 117 S HA 0.872 5.342 4.470 -0.000 0.000 0.298 117 S C 0.020 174.373 174.600 -0.412 0.000 1.083 117 S CA 0.324 58.420 58.200 -0.174 0.000 0.995 117 S CB 1.220 64.356 63.200 -0.106 0.000 1.058 117 S HN 2.105 nan 8.310 nan 0.000 0.488 118 G N 1.908 110.583 108.800 -0.209 0.000 2.409 118 G HA2 0.032 3.992 3.960 -0.000 0.000 0.421 118 G HA3 0.032 3.992 3.960 -0.000 0.000 0.421 118 G C -0.633 174.231 174.900 -0.059 0.000 1.259 118 G CA -0.323 44.662 45.100 -0.191 0.000 1.011 118 G HN 0.901 nan 8.290 nan 0.000 0.497 119 T N -0.600 113.962 114.554 0.014 0.000 2.905 119 T HA 0.943 5.293 4.350 -0.000 0.000 0.283 119 T C 0.755 175.564 174.700 0.182 0.000 1.031 119 T CA 0.388 62.589 62.100 0.168 0.000 1.002 119 T CB 1.528 70.596 68.868 0.332 0.000 1.200 119 T HN 2.075 nan 8.240 nan 0.000 0.560 120 A N -0.735 122.237 122.820 0.254 0.000 2.869 120 A HA 0.705 5.025 4.320 -0.000 0.000 0.244 120 A C -0.837 176.887 177.584 0.234 0.000 1.374 120 A CA -1.122 51.076 52.037 0.268 0.000 0.913 120 A CB -0.530 18.706 19.000 0.394 0.000 1.589 120 A HN 0.877 nan 8.150 nan 0.000 0.485 121 Y N 1.441 121.737 120.300 -0.007 0.000 2.534 121 Y HA -0.259 4.291 4.550 -0.000 0.000 0.412 121 Y C 0.538 176.315 175.900 -0.205 0.000 1.033 121 Y CA 1.749 59.811 58.100 -0.064 0.000 1.519 121 Y CB -1.174 37.275 38.460 -0.019 0.000 1.054 121 Y HN 0.750 nan 8.280 nan 0.000 0.465 122 N N -0.291 118.340 118.700 -0.115 0.000 4.066 122 N HA -0.118 4.622 4.740 -0.000 0.000 0.315 122 N C -0.021 175.103 175.510 -0.642 0.000 2.196 122 N CA 0.007 52.889 53.050 -0.281 0.000 2.981 122 N CB -0.333 38.007 38.487 -0.245 0.000 0.306 122 N HN 0.645 nan 8.380 nan 0.000 0.757 123 A N 2.147 124.719 122.820 -0.413 0.000 2.195 123 A HA 0.368 4.688 4.320 -0.000 0.000 0.212 123 A C 1.704 179.276 177.584 -0.019 0.000 2.368 123 A CA 0.255 52.132 52.037 -0.267 0.000 1.424 123 A CB -0.611 18.385 19.000 -0.007 0.000 1.095 123 A HN 0.493 nan 8.150 nan 0.000 0.516 124 L N 0.808 122.054 121.223 0.038 0.000 2.263 124 L HA 0.034 4.374 4.340 -0.000 0.000 0.216 124 L C 1.635 178.535 176.870 0.050 0.000 1.111 124 L CA 0.693 55.575 54.840 0.070 0.000 0.773 124 L CB -1.475 40.606 42.059 0.037 0.000 0.906 124 L HN 0.363 nan 8.230 nan 0.000 0.439 125 A N 0.256 123.062 122.820 -0.022 0.000 2.536 125 A HA 0.206 4.526 4.320 -0.000 0.000 0.234 125 A C -1.833 175.771 177.584 0.034 0.000 1.076 125 A CA -0.860 51.162 52.037 -0.025 0.000 0.769 125 A CB -0.848 18.099 19.000 -0.088 0.000 1.020 125 A HN 0.070 nan 8.150 nan 0.000 0.508 126 P HA -0.092 nan 4.420 nan 0.000 0.255 126 P C 0.100 177.499 177.300 0.165 0.000 1.141 126 P CA 0.932 64.083 63.100 0.084 0.000 0.767 126 P CB 0.161 31.897 31.700 0.060 0.000 0.726 127 K N 2.515 123.037 120.400 0.203 0.000 2.108 127 K HA 0.028 4.348 4.320 -0.000 0.000 0.204 127 K C 2.247 178.927 176.600 0.134 0.000 1.036 127 K CA 1.195 57.636 56.287 0.256 0.000 0.965 127 K CB -0.460 32.121 32.500 0.135 0.000 0.804 127 K HN 0.470 nan 8.250 nan 0.000 0.454 128 G N 1.407 110.256 108.800 0.081 0.000 2.404 128 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.214 128 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.214 128 G C 0.467 175.400 174.900 0.055 0.000 1.189 128 G CA 0.447 45.580 45.100 0.055 0.000 0.789 128 G HN 0.372 nan 8.290 nan 0.000 0.533 129 A N 2.595 125.447 122.820 0.053 0.000 2.515 129 A HA 0.356 4.676 4.320 -0.000 0.000 0.276 129 A C -0.652 176.964 177.584 0.053 0.000 1.104 129 A CA -0.413 51.652 52.037 0.047 0.000 0.822 129 A CB -0.117 18.912 19.000 0.048 0.000 1.016 129 A HN 0.327 nan 8.150 nan 0.000 0.530 130 P HA -0.013 nan 4.420 nan 0.000 0.248 130 P C 0.073 177.402 177.300 0.049 0.000 1.331 130 P CA 0.210 63.336 63.100 0.044 0.000 0.699 130 P CB 0.218 31.933 31.700 0.026 0.000 1.196 131 N N -4.336 114.394 118.700 0.050 0.000 4.046 131 N HA 0.165 4.905 4.740 -0.000 0.000 0.217 131 N C -2.975 172.576 175.510 0.069 0.000 1.317 131 N CA -1.048 52.037 53.050 0.059 0.000 0.871 131 N CB 0.029 38.548 38.487 0.054 0.000 1.461 131 N HN 0.068 nan 8.380 nan 0.000 0.489 132 P HA -0.154 nan 4.420 nan 0.000 0.255 132 P C -1.015 176.345 177.300 0.100 0.000 1.104 132 P CA 0.756 63.914 63.100 0.097 0.000 0.764 132 P CB -0.135 31.614 31.700 0.081 0.000 0.682 133 C N 2.616 121.995 119.300 0.132 0.000 2.741 133 C HA 0.345 4.805 4.460 -0.000 0.000 0.309 133 C C -1.027 174.092 174.990 0.214 0.000 1.231 133 C CA -0.304 58.797 59.018 0.138 0.000 1.177 133 C CB 0.513 28.316 27.740 0.104 0.000 1.285 133 C HN 0.836 nan 8.230 nan 0.000 0.487 134 E N 0.979 121.320 120.200 0.234 0.000 2.419 134 E HA 0.882 5.232 4.350 -0.000 0.000 0.222 134 E C -0.061 176.829 176.600 0.483 0.000 0.826 134 E CA -0.232 56.418 56.400 0.417 0.000 0.903 134 E CB 0.508 30.255 29.700 0.079 0.000 1.838 134 E HN 0.886 nan 8.360 nan 0.000 0.403 135 W N -0.479 120.745 121.300 -0.126 0.000 4.412 135 W HA 0.559 5.219 4.660 -0.000 0.000 0.641 135 W C -0.245 176.172 176.519 -0.169 0.000 3.407 135 W CA -0.420 56.822 57.345 -0.173 0.000 1.125 135 W CB -0.456 28.854 29.460 -0.251 0.000 2.191 135 W HN 0.134 nan 8.180 nan 0.000 0.375 167 H N 0.262 119.015 119.070 -0.529 0.000 3.065 167 H HA 0.920 5.476 4.556 -0.000 0.000 0.279 167 H C 0.146 175.301 175.328 -0.287 0.000 1.594 167 H CA -1.303 54.441 56.048 -0.507 0.000 1.547 167 H CB 0.550 29.688 29.762 -1.039 0.000 1.771 167 H HN 0.192 nan 8.280 nan 0.000 0.871 168 V N -0.318 119.623 119.914 0.045 0.000 3.012 168 V HA 0.492 4.612 4.120 -0.000 0.000 0.307 168 V C -1.439 174.723 176.094 0.114 0.000 1.166 168 V CA -0.846 61.504 62.300 0.083 0.000 0.974 168 V CB 2.209 34.027 31.823 -0.008 0.000 1.040 168 V HN 0.508 nan 8.190 nan 0.000 0.428 169 F N 1.093 121.028 119.950 -0.025 0.000 2.605 169 F HA 0.850 5.377 4.527 -0.000 0.000 0.320 169 F C 0.486 176.273 175.800 -0.021 0.000 1.159 169 F CA 0.362 58.361 58.000 -0.001 0.000 0.999 169 F CB 2.349 41.428 39.000 0.131 0.000 1.258 169 F HN 0.956 nan 8.300 nan 0.000 0.464 170 G N 1.811 110.626 108.800 0.024 0.000 2.726 170 G HA2 0.593 4.553 3.960 -0.000 0.000 0.198 170 G HA3 0.593 4.553 3.960 -0.000 0.000 0.198 170 G C -1.606 173.292 174.900 -0.004 0.000 1.195 170 G CA -0.250 44.863 45.100 0.022 0.000 0.951 170 G HN 0.528 nan 8.290 nan 0.000 0.532 171 Q N -2.432 117.363 119.800 -0.007 0.000 2.660 171 Q HA 0.604 4.944 4.340 -0.000 0.000 0.393 171 Q C -1.906 174.095 176.000 0.002 0.000 0.622 171 Q CA -0.251 55.550 55.803 -0.002 0.000 0.944 171 Q CB 2.035 30.788 28.738 0.026 0.000 1.046 171 Q HN 1.862 nan 8.270 nan 0.000 0.456 172 A N 1.587 124.422 122.820 0.024 0.000 1.481 172 A HA 0.304 4.624 4.320 -0.000 0.000 0.235 172 A C -2.744 174.876 177.584 0.059 0.000 0.954 172 A CA -0.603 51.459 52.037 0.042 0.000 0.760 172 A CB 0.085 19.101 19.000 0.027 0.000 0.729 172 A HN 0.416 nan 8.150 nan 0.000 0.325 173 P HA 0.478 nan 4.420 nan 0.000 0.263 173 P C -0.683 176.731 177.300 0.190 0.000 1.821 173 P CA 0.120 63.286 63.100 0.110 0.000 1.186 173 P CB -0.529 31.226 31.700 0.091 0.000 1.623 174 Y N -0.932 119.382 120.300 0.024 0.000 2.853 174 Y HA 0.617 5.167 4.550 -0.000 0.000 0.326 174 Y C -1.526 174.387 175.900 0.021 0.000 1.384 174 Y CA -0.616 57.498 58.100 0.023 0.000 1.077 174 Y CB 1.614 40.089 38.460 0.024 0.000 1.395 174 Y HN -0.071 nan 8.280 nan 0.000 0.451 175 S N 0.406 115.713 115.700 -0.654 0.000 2.675 175 S HA 0.617 5.087 4.470 -0.000 0.000 0.297 175 S C -1.189 173.040 174.600 -0.619 0.000 1.035 175 S CA 0.038 57.963 58.200 -0.458 0.000 0.852 175 S CB 0.696 63.766 63.200 -0.217 0.000 1.051 175 S HN 1.518 nan 8.310 nan 0.000 0.451 176 G N 2.223 110.853 108.800 -0.282 0.000 2.871 176 G HA2 0.625 4.585 3.960 -0.000 0.000 0.282 176 G HA3 0.625 4.585 3.960 -0.000 0.000 0.282 176 G C -0.053 174.807 174.900 -0.067 0.000 1.212 176 G CA -0.393 44.595 45.100 -0.187 0.000 0.812 176 G HN 0.841 nan 8.290 nan 0.000 0.547 177 I N 0.282 120.819 120.570 -0.055 0.000 2.616 177 I HA -0.021 4.149 4.170 -0.000 0.000 0.173 177 I C 1.294 177.303 176.117 -0.180 0.000 1.406 177 I CA -0.240 61.012 61.300 -0.081 0.000 0.646 177 I CB -0.090 37.874 38.000 -0.060 0.000 1.839 177 I HN 0.375 nan 8.210 nan 0.000 1.097 178 N N 0.838 119.382 118.700 -0.259 0.000 2.374 178 N HA 0.093 4.833 4.740 -0.000 0.000 0.241 178 N C -0.725 174.674 175.510 -0.185 0.000 1.262 178 N CA -0.087 52.730 53.050 -0.388 0.000 0.880 178 N CB 0.445 38.781 38.487 -0.252 0.000 1.105 178 N HN 0.265 nan 8.380 nan 0.000 0.438 179 I N 0.289 120.773 120.570 -0.143 0.000 2.677 179 I HA 0.349 4.519 4.170 -0.000 0.000 0.305 179 I C 0.543 176.676 176.117 0.026 0.000 0.988 179 I CA -0.505 60.819 61.300 0.039 0.000 1.260 179 I CB 1.565 39.671 38.000 0.177 0.000 1.410 179 I HN 0.440 nan 8.210 nan 0.000 0.523 180 T N 0.686 115.266 114.554 0.044 0.000 2.696 180 T HA 0.363 4.713 4.350 -0.000 0.000 0.291 180 T C 0.026 174.692 174.700 -0.056 0.000 1.095 180 T CA -0.952 61.137 62.100 -0.019 0.000 1.026 180 T CB 1.286 70.126 68.868 -0.046 0.000 1.390 180 T HN 0.247 nan 8.240 nan 0.000 0.513 181 K N 0.775 121.106 120.400 -0.115 0.000 2.745 181 K HA 0.294 4.614 4.320 -0.000 0.000 0.223 181 K C -0.021 176.505 176.600 -0.123 0.000 1.057 181 K CA 0.043 56.232 56.287 -0.163 0.000 1.217 181 K CB -0.550 31.850 32.500 -0.167 0.000 0.993 181 K HN 0.636 nan 8.250 nan 0.000 0.478 182 E N -1.511 118.653 120.200 -0.061 0.000 3.313 182 E HA 0.259 4.609 4.350 -0.000 0.000 0.164 182 E C 0.368 177.138 176.600 0.284 0.000 0.947 182 E CA -0.012 56.398 56.400 0.016 0.000 1.390 182 E CB 0.843 30.280 29.700 -0.438 0.000 1.058 182 E HN 0.245 nan 8.360 nan 0.000 0.436 183 G N 1.388 110.352 108.800 0.274 0.000 2.936 183 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.237 183 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.237 183 G C -0.695 174.350 174.900 0.242 0.000 1.403 183 G CA -0.302 45.004 45.100 0.342 0.000 1.011 183 G HN 0.200 nan 8.290 nan 0.000 0.568 184 I N 1.129 121.833 120.570 0.224 0.000 2.656 184 I HA 0.369 4.539 4.170 -0.000 0.000 0.292 184 I C -0.230 175.978 176.117 0.152 0.000 1.144 184 I CA -0.515 60.887 61.300 0.170 0.000 1.038 184 I CB 1.968 40.074 38.000 0.178 0.000 1.244 184 I HN 0.647 nan 8.210 nan 0.000 0.420 185 Q N 5.857 125.713 119.800 0.093 0.000 2.307 185 Q HA 0.169 4.509 4.340 -0.000 0.000 0.261 185 Q C -0.329 175.712 176.000 0.069 0.000 1.051 185 Q CA 0.067 55.919 55.803 0.081 0.000 0.911 185 Q CB 0.854 29.607 28.738 0.024 0.000 1.227 185 Q HN 0.608 nan 8.270 nan 0.000 0.418 186 I N 2.248 122.874 120.570 0.094 0.000 3.098 186 I HA 0.300 4.470 4.170 -0.000 0.000 0.241 186 I C 1.063 177.215 176.117 0.058 0.000 1.081 186 I CA 0.159 61.510 61.300 0.085 0.000 1.487 186 I CB -0.542 37.530 38.000 0.120 0.000 1.366 186 I HN 0.461 nan 8.210 nan 0.000 0.463 187 G N 1.060 109.895 108.800 0.058 0.000 2.432 187 G HA2 0.697 4.657 3.960 -0.000 0.000 0.331 187 G HA3 0.697 4.657 3.960 -0.000 0.000 0.331 187 G C -1.277 173.652 174.900 0.048 0.000 1.170 187 G CA -0.492 44.633 45.100 0.042 0.000 0.943 187 G HN 0.377 nan 8.290 nan 0.000 0.483 188 V N -1.192 118.743 119.914 0.035 0.000 2.697 188 V HA 0.409 4.529 4.120 -0.000 0.000 0.296 188 V C -0.189 175.918 176.094 0.023 0.000 1.140 188 V CA -1.134 61.186 62.300 0.034 0.000 0.921 188 V CB 1.317 33.157 31.823 0.028 0.000 1.036 188 V HN 0.842 nan 8.190 nan 0.000 0.438 189 E N 3.903 124.116 120.200 0.022 0.000 3.400 189 E HA 0.385 4.735 4.350 -0.000 0.000 0.290 189 E C 1.249 177.856 176.600 0.012 0.000 1.464 189 E CA 0.719 57.128 56.400 0.016 0.000 1.555 189 E CB -0.397 29.311 29.700 0.015 0.000 1.262 189 E HN 1.402 nan 8.360 nan 0.000 0.452 190 G N 1.620 110.426 108.800 0.011 0.000 2.539 190 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.230 190 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.230 190 G C 0.219 175.123 174.900 0.006 0.000 1.758 190 G CA -0.494 44.611 45.100 0.007 0.000 1.433 190 G HN 0.337 nan 8.290 nan 0.000 0.494 191 Q N 1.017 120.820 119.800 0.005 0.000 2.088 191 Q HA 0.344 4.684 4.340 -0.000 0.000 0.270 191 Q C -0.472 175.531 176.000 0.004 0.000 0.854 191 Q CA 0.022 55.827 55.803 0.003 0.000 1.104 191 Q CB 1.615 30.353 28.738 -0.000 0.000 1.251 191 Q HN 0.391 nan 8.270 nan 0.000 0.436 192 T N 1.809 116.369 114.554 0.010 0.000 2.909 192 T HA 0.288 4.638 4.350 -0.000 0.000 0.286 192 T C -1.890 172.822 174.700 0.019 0.000 1.002 192 T CA -1.279 60.830 62.100 0.014 0.000 1.074 192 T CB 1.360 70.240 68.868 0.020 0.000 0.984 192 T HN 0.060 nan 8.240 nan 0.000 0.495 193 P HA 0.157 nan 4.420 nan 0.000 0.285 193 P C -0.314 177.022 177.300 0.060 0.000 1.372 193 P CA -0.242 62.869 63.100 0.019 0.000 0.764 193 P CB 0.229 31.927 31.700 -0.003 0.000 1.744 194 K N -2.559 117.902 120.400 0.102 0.000 6.222 194 K HA -0.136 4.184 4.320 -0.000 0.000 0.588 194 K C -0.740 176.069 176.600 0.348 0.000 2.571 194 K CA 0.529 56.976 56.287 0.267 0.000 2.013 194 K CB -1.064 31.535 32.500 0.166 0.000 2.494 194 K HN 0.603 nan 8.250 nan 0.000 0.241 195 Y N -1.618 118.681 120.300 -0.001 0.000 3.116 195 Y HA 0.758 5.308 4.550 -0.000 0.000 0.246 195 Y C 0.705 176.596 175.900 -0.014 0.000 2.345 195 Y CA 0.008 58.109 58.100 0.002 0.000 0.907 195 Y CB -0.675 37.793 38.460 0.014 0.000 1.811 195 Y HN 0.588 nan 8.280 nan 0.000 0.461 196 A N 0.486 123.122 122.820 -0.307 0.000 2.791 196 A HA 0.528 4.848 4.320 -0.000 0.000 0.212 196 A C -1.103 176.041 177.584 -0.734 0.000 1.976 196 A CA 0.995 52.780 52.037 -0.420 0.000 0.920 196 A CB -0.775 18.055 19.000 -0.283 0.000 1.800 196 A HN 0.698 nan 8.150 nan 0.000 0.773 197 D N -1.058 118.982 120.400 -0.600 0.000 2.141 197 D HA 0.306 4.946 4.640 -0.000 0.000 0.146 197 D C -1.631 174.446 176.300 -0.371 0.000 1.035 197 D CA 0.023 53.726 54.000 -0.496 0.000 0.976 197 D CB 0.381 40.969 40.800 -0.353 0.000 3.523 197 D HN 0.642 nan 8.370 nan 0.000 0.515 198 K N -0.143 120.110 120.400 -0.245 0.000 4.264 198 K HA -0.107 4.213 4.320 -0.000 0.000 0.718 198 K C 0.868 177.386 176.600 -0.137 0.000 2.569 198 K CA 0.670 56.890 56.287 -0.111 0.000 1.807 198 K CB -1.686 30.876 32.500 0.104 0.000 2.662 198 K HN 0.455 nan 8.250 nan 0.000 0.202 199 T N 0.815 115.389 114.554 0.033 0.000 2.624 199 T HA -0.207 4.143 4.350 -0.000 0.000 0.268 199 T C 1.568 176.298 174.700 0.050 0.000 1.041 199 T CA 2.542 64.662 62.100 0.033 0.000 1.159 199 T CB -0.541 68.377 68.868 0.082 0.000 0.863 199 T HN 0.570 nan 8.240 nan 0.000 0.434 200 F N 1.407 121.301 119.950 -0.093 0.000 2.805 200 F HA 0.395 4.922 4.527 -0.000 0.000 0.301 200 F C 0.625 176.367 175.800 -0.097 0.000 1.196 200 F CA -0.700 57.248 58.000 -0.086 0.000 1.439 200 F CB -0.828 38.127 39.000 -0.075 0.000 1.117 200 F HN 0.101 nan 8.300 nan 0.000 0.581 201 Q N 1.490 121.000 119.800 -0.483 0.000 2.345 201 Q HA 0.305 4.645 4.340 -0.000 0.000 0.275 201 Q C -2.724 173.087 176.000 -0.314 0.000 1.063 201 Q CA -2.204 53.326 55.803 -0.455 0.000 0.819 201 Q CB 3.052 31.393 28.738 -0.662 0.000 1.356 201 Q HN -0.087 nan 8.270 nan 0.000 0.418 202 P HA 0.028 nan 4.420 nan 0.000 0.271 202 P C -0.974 176.220 177.300 -0.176 0.000 1.380 202 P CA -0.052 62.917 63.100 -0.219 0.000 0.992 202 P CB -0.127 31.465 31.700 -0.180 0.000 1.230 203 E N 5.940 126.035 120.200 -0.175 0.000 2.481 203 E HA 0.004 4.354 4.350 -0.000 0.000 0.263 203 E C -1.642 174.898 176.600 -0.101 0.000 0.992 203 E CA -1.322 55.020 56.400 -0.097 0.000 0.938 203 E CB -0.553 29.114 29.700 -0.054 0.000 0.933 203 E HN 0.335 nan 8.360 nan 0.000 0.453 204 P HA -0.264 nan 4.420 nan 0.000 0.220 204 P C 0.188 177.450 177.300 -0.063 0.000 1.253 204 P CA 0.615 63.684 63.100 -0.050 0.000 0.739 204 P CB 0.046 31.734 31.700 -0.020 0.000 0.708 205 Q N -1.266 118.513 119.800 -0.034 0.000 2.495 205 Q HA -0.290 4.050 4.340 -0.000 0.000 0.447 205 Q C 0.749 176.722 176.000 -0.045 0.000 0.536 205 Q CA 1.990 57.776 55.803 -0.028 0.000 0.992 205 Q CB -1.807 26.913 28.738 -0.031 0.000 2.136 205 Q HN 0.433 nan 8.270 nan 0.000 1.021 206 I N -0.638 119.884 120.570 -0.080 0.000 9.142 206 I HA -0.164 4.006 4.170 -0.000 0.000 0.126 206 I C 0.139 176.246 176.117 -0.016 0.000 1.859 206 I CA 1.141 62.355 61.300 -0.143 0.000 2.052 206 I CB -0.134 37.660 38.000 -0.343 0.000 3.947 206 I HN 0.687 nan 8.210 nan 0.000 0.174 207 G N 4.058 112.892 108.800 0.056 0.000 2.659 207 G HA2 0.757 4.717 3.960 -0.000 0.000 0.296 207 G HA3 0.757 4.717 3.960 -0.000 0.000 0.296 207 G C -1.136 173.932 174.900 0.280 0.000 1.369 207 G CA -0.327 44.870 45.100 0.163 0.000 0.937 207 G HN 0.698 nan 8.290 nan 0.000 0.485 208 E N 0.080 120.409 120.200 0.215 0.000 4.087 208 E HA 0.577 4.927 4.350 -0.000 0.000 0.195 208 E C 1.110 177.786 176.600 0.127 0.000 0.963 208 E CA -0.325 56.163 56.400 0.147 0.000 1.167 208 E CB 0.358 30.106 29.700 0.080 0.000 1.838 208 E HN 0.289 nan 8.360 nan 0.000 0.390 209 S N -0.721 115.059 115.700 0.134 0.000 2.460 209 S HA 0.051 4.521 4.470 -0.000 0.000 0.185 209 S C 0.686 175.411 174.600 0.208 0.000 0.908 209 S CA 0.770 59.077 58.200 0.179 0.000 0.894 209 S CB 0.034 63.380 63.200 0.243 0.000 0.855 209 S HN 0.524 nan 8.310 nan 0.000 0.574 210 Q N -0.272 119.709 119.800 0.301 0.000 3.042 210 Q HA 0.215 4.555 4.340 -0.000 0.000 0.293 210 Q C -0.635 175.568 176.000 0.339 0.000 1.017 210 Q CA -0.633 55.322 55.803 0.254 0.000 0.647 210 Q CB -0.055 28.737 28.738 0.091 0.000 3.832 210 Q HN 0.571 nan 8.270 nan 0.000 0.295 211 W N 1.561 122.923 121.300 0.104 0.000 3.221 211 W HA 0.381 5.041 4.660 -0.000 0.000 0.436 211 W C -0.719 175.936 176.519 0.225 0.000 0.913 211 W CA -0.766 56.651 57.345 0.121 0.000 2.004 211 W CB -1.210 28.280 29.460 0.050 0.000 1.007 211 W HN 0.536 nan 8.180 nan 0.000 0.838 212 Y N -0.409 119.818 120.300 -0.122 0.000 2.805 212 Y HA 0.716 5.266 4.550 -0.000 0.000 0.323 212 Y C -0.865 174.977 175.900 -0.097 0.000 1.279 212 Y CA -1.839 56.154 58.100 -0.179 0.000 1.103 212 Y CB 0.782 39.016 38.460 -0.377 0.000 1.324 212 Y HN -0.041 nan 8.280 nan 0.000 0.498 213 E N 1.086 121.197 120.200 -0.148 0.000 2.145 213 E HA 0.424 4.774 4.350 -0.000 0.000 0.270 213 E C -1.450 174.931 176.600 -0.364 0.000 0.906 213 E CA -1.074 55.192 56.400 -0.224 0.000 0.761 213 E CB 1.882 31.519 29.700 -0.105 0.000 1.116 213 E HN 0.608 nan 8.360 nan 0.000 0.408 214 T N 0.130 114.450 114.554 -0.390 0.000 3.133 214 T HA 0.310 4.660 4.350 -0.000 0.000 0.368 214 T C -0.290 174.279 174.700 -0.219 0.000 1.190 214 T CA -1.076 60.815 62.100 -0.349 0.000 1.282 214 T CB 0.062 68.643 68.868 -0.477 0.000 1.042 214 T HN 0.542 nan 8.240 nan 0.000 0.536 215 E N 1.780 121.881 120.200 -0.165 0.000 2.210 215 E HA -0.159 4.191 4.350 -0.000 0.000 0.201 215 E C 0.243 176.763 176.600 -0.134 0.000 1.339 215 E CA 0.617 56.939 56.400 -0.131 0.000 0.699 215 E CB -1.042 28.600 29.700 -0.098 0.000 1.126 215 E HN 0.807 nan 8.360 nan 0.000 0.355 216 I N -1.393 119.084 120.570 -0.156 0.000 2.997 216 I HA 0.204 4.374 4.170 -0.000 0.000 0.329 216 I C 0.582 176.584 176.117 -0.193 0.000 1.367 216 I CA -0.557 60.654 61.300 -0.147 0.000 0.902 216 I CB -0.316 37.604 38.000 -0.134 0.000 2.104 216 I HN 0.066 nan 8.210 nan 0.000 0.581 217 N N 1.578 120.077 118.700 -0.335 0.000 2.520 217 N HA -0.115 4.625 4.740 -0.000 0.000 0.185 217 N C -0.056 175.243 175.510 -0.351 0.000 1.068 217 N CA 0.799 53.629 53.050 -0.366 0.000 0.911 217 N CB -0.437 37.785 38.487 -0.441 0.000 0.961 217 N HN 0.689 nan 8.380 nan 0.000 0.446 218 H N -0.255 118.789 119.070 -0.044 0.000 2.499 218 H HA 0.754 5.310 4.556 -0.000 0.000 0.340 218 H C 0.356 175.664 175.328 -0.033 0.000 1.148 218 H CA -0.417 55.616 56.048 -0.024 0.000 1.215 218 H CB 1.910 31.662 29.762 -0.016 0.000 1.529 218 H HN 0.169 nan 8.280 nan 0.000 0.510 219 A N 0.912 123.803 122.820 0.119 0.000 4.989 219 A HA 0.856 5.176 4.320 -0.000 0.000 0.238 219 A C -1.568 176.102 177.584 0.142 0.000 0.962 219 A CA -0.059 52.027 52.037 0.080 0.000 0.608 219 A CB 0.216 19.238 19.000 0.036 0.000 1.893 219 A HN 1.090 nan 8.150 nan 0.000 0.923 220 A N -2.414 120.501 122.820 0.158 0.000 2.544 220 A HA 0.962 5.282 4.320 -0.000 0.000 0.291 220 A C -0.008 177.664 177.584 0.147 0.000 1.055 220 A CA 0.477 52.624 52.037 0.184 0.000 0.651 220 A CB 0.321 19.470 19.000 0.248 0.000 1.296 220 A HN 2.853 nan 8.150 nan 0.000 0.431 221 G N -0.721 108.156 108.800 0.128 0.000 2.323 221 G HA2 0.629 4.589 3.960 -0.000 0.000 0.291 221 G HA3 0.629 4.589 3.960 -0.000 0.000 0.291 221 G C -1.316 173.642 174.900 0.097 0.000 1.278 221 G CA 0.011 45.168 45.100 0.094 0.000 0.860 221 G HN 1.050 nan 8.290 nan 0.000 0.504 222 R N -1.903 118.644 120.500 0.079 0.000 2.716 222 R HA 0.768 5.108 4.340 -0.000 0.000 0.271 222 R C -1.271 175.073 176.300 0.073 0.000 1.028 222 R CA -0.329 55.823 56.100 0.087 0.000 0.883 222 R CB 2.126 32.469 30.300 0.071 0.000 1.250 222 R HN 1.006 nan 8.270 nan 0.000 0.465 223 V N 1.018 120.981 119.914 0.081 0.000 3.427 223 V HA 0.667 4.787 4.120 -0.000 0.000 0.311 223 V C -1.788 174.352 176.094 0.077 0.000 1.473 223 V CA -0.746 61.599 62.300 0.075 0.000 0.978 223 V CB 2.256 34.124 31.823 0.075 0.000 1.101 223 V HN 0.510 nan 8.190 nan 0.000 0.481 224 L N 1.083 122.354 121.223 0.079 0.000 2.424 224 L HA 0.595 4.935 4.340 -0.000 0.000 0.258 224 L C -0.970 175.947 176.870 0.078 0.000 0.995 224 L CA -0.584 54.301 54.840 0.075 0.000 0.821 224 L CB 2.444 44.544 42.059 0.068 0.000 1.383 224 L HN 0.794 nan 8.230 nan 0.000 0.410 225 K N 1.386 121.829 120.400 0.071 0.000 2.090 225 K HA 0.230 4.550 4.320 -0.000 0.000 0.250 225 K C 0.227 176.868 176.600 0.067 0.000 1.004 225 K CA -0.484 55.845 56.287 0.069 0.000 0.919 225 K CB 1.208 33.746 32.500 0.063 0.000 1.045 225 K HN 0.409 nan 8.250 nan 0.000 0.471 226 K N 0.722 121.161 120.400 0.065 0.000 2.404 226 K HA -0.032 4.288 4.320 -0.000 0.000 0.194 226 K C 0.673 177.306 176.600 0.054 0.000 1.023 226 K CA 0.429 56.755 56.287 0.065 0.000 1.094 226 K CB 0.114 32.652 32.500 0.064 0.000 0.841 226 K HN 0.615 nan 8.250 nan 0.000 0.523 227 T N 0.829 115.413 114.554 0.050 0.000 2.544 227 T HA -0.159 4.191 4.350 -0.000 0.000 0.264 227 T C 0.760 175.485 174.700 0.041 0.000 1.096 227 T CA 2.025 64.151 62.100 0.044 0.000 1.181 227 T CB -0.399 68.495 68.868 0.043 0.000 0.864 227 T HN 0.430 nan 8.240 nan 0.000 0.415 228 T N 1.360 115.939 114.554 0.042 0.000 2.767 228 T HA 0.480 4.830 4.350 -0.000 0.000 0.284 228 T C -2.397 172.327 174.700 0.040 0.000 0.973 228 T CA -1.876 60.247 62.100 0.038 0.000 0.996 228 T CB 1.377 70.267 68.868 0.036 0.000 0.927 228 T HN 0.030 nan 8.240 nan 0.000 0.456 229 P HA -0.120 nan 4.420 nan 0.000 0.286 229 P C -0.346 176.975 177.300 0.035 0.000 1.688 229 P CA 0.245 63.366 63.100 0.034 0.000 1.390 229 P CB 0.306 32.020 31.700 0.023 0.000 0.829 230 M N -0.762 118.854 119.600 0.027 0.000 2.578 230 M HA 0.532 5.012 4.480 -0.000 0.000 0.321 230 M C 0.140 176.452 176.300 0.020 0.000 1.182 230 M CA -0.052 55.263 55.300 0.025 0.000 0.965 230 M CB 2.122 34.732 32.600 0.017 0.000 1.694 230 M HN 0.313 nan 8.290 nan 0.000 0.461 231 K N -0.470 119.945 120.400 0.026 0.000 2.931 231 K HA 0.568 4.888 4.320 -0.000 0.000 0.292 231 K C -3.301 173.323 176.600 0.040 0.000 1.077 231 K CA -1.431 54.873 56.287 0.029 0.000 0.829 231 K CB -0.140 32.377 32.500 0.027 0.000 1.488 231 K HN 0.242 nan 8.250 nan 0.000 0.358 232 P HA 0.090 nan 4.420 nan 0.000 0.317 232 P C 0.035 177.380 177.300 0.074 0.000 1.316 232 P CA -0.494 62.651 63.100 0.074 0.000 0.744 232 P CB 0.260 32.022 31.700 0.103 0.000 1.521 233 C N -2.320 117.040 119.300 0.100 0.000 3.365 233 C HA 0.364 4.824 4.460 -0.000 0.000 0.266 233 C C 0.281 175.305 174.990 0.056 0.000 1.631 233 C CA -0.362 58.693 59.018 0.062 0.000 1.789 233 C CB -1.908 25.855 27.740 0.038 0.000 3.088 233 C HN 0.332 nan 8.230 nan 0.000 0.547 234 Y N 1.999 122.313 120.300 0.025 0.000 2.734 234 Y HA 0.414 4.964 4.550 -0.000 0.000 0.353 234 Y C 1.274 177.197 175.900 0.038 0.000 1.244 234 Y CA 1.562 59.684 58.100 0.038 0.000 1.950 234 Y CB -0.418 38.053 38.460 0.017 0.000 2.028 234 Y HN 0.618 nan 8.280 nan 0.000 0.421 235 G N 1.196 110.057 108.800 0.102 0.000 2.919 235 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.225 235 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.225 235 G C -0.136 174.479 174.900 -0.475 0.000 1.117 235 G CA -0.045 45.080 45.100 0.042 0.000 1.033 235 G HN 0.513 nan 8.290 nan 0.000 0.532 236 S N -0.468 114.751 115.700 -0.802 0.000 2.495 236 S HA 0.929 5.399 4.470 -0.000 0.000 0.273 236 S C -0.106 174.037 174.600 -0.762 0.000 1.156 236 S CA -0.434 57.398 58.200 -0.614 0.000 1.032 236 S CB 1.415 64.480 63.200 -0.225 0.000 1.160 236 S HN 1.253 nan 8.310 nan 0.000 0.489 237 Y N -0.922 119.162 120.300 -0.361 0.000 2.871 237 Y HA 0.535 5.085 4.550 -0.000 0.000 0.331 237 Y C -1.863 174.030 175.900 -0.011 0.000 1.378 237 Y CA -0.334 57.682 58.100 -0.140 0.000 1.079 237 Y CB 1.183 39.573 38.460 -0.117 0.000 1.441 237 Y HN 1.147 nan 8.280 nan 0.000 0.446 238 A N 2.958 125.355 122.820 -0.705 0.000 0.997 238 A HA 0.222 4.542 4.320 -0.000 0.000 0.195 238 A C -1.385 175.892 177.584 -0.511 0.000 0.983 238 A CA -0.587 51.243 52.037 -0.345 0.000 0.682 238 A CB -0.449 18.450 19.000 -0.168 0.000 0.541 238 A HN 0.628 nan 8.150 nan 0.000 0.351 239 K N 2.962 123.255 120.400 -0.179 0.000 2.258 239 K HA 0.135 4.455 4.320 -0.000 0.000 0.266 239 K C -2.343 174.215 176.600 -0.070 0.000 1.204 239 K CA -0.019 56.257 56.287 -0.018 0.000 1.206 239 K CB 0.006 32.598 32.500 0.153 0.000 0.854 239 K HN 0.415 nan 8.250 nan 0.000 0.453 240 P HA 0.181 nan 4.420 nan 0.000 0.304 240 P C -0.718 176.540 177.300 -0.070 0.000 1.385 240 P CA -0.586 62.461 63.100 -0.089 0.000 0.896 240 P CB 1.931 33.565 31.700 -0.111 0.000 0.958 241 T N 0.803 115.311 114.554 -0.075 0.000 2.312 241 T HA 0.280 4.630 4.350 -0.000 0.000 0.175 241 T C 0.158 174.782 174.700 -0.127 0.000 0.727 241 T CA -0.436 61.619 62.100 -0.075 0.000 1.333 241 T CB -1.048 67.791 68.868 -0.048 0.000 2.928 241 T HN 0.318 nan 8.240 nan 0.000 0.403 242 N N 1.365 119.989 118.700 -0.127 0.000 4.701 242 N HA -0.177 4.563 4.740 -0.000 0.000 0.343 242 N C 0.074 175.483 175.510 -0.170 0.000 1.266 242 N CA 0.919 53.869 53.050 -0.167 0.000 2.980 242 N CB 0.052 38.378 38.487 -0.268 0.000 0.399 242 N HN 0.821 nan 8.380 nan 0.000 0.867 243 E N 0.121 120.230 120.200 -0.150 0.000 2.502 243 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 243 E C 0.436 176.937 176.600 -0.165 0.000 1.062 243 E CA 0.587 56.914 56.400 -0.123 0.000 0.867 243 E CB 0.215 29.865 29.700 -0.083 0.000 0.888 243 E HN 0.437 nan 8.360 nan 0.000 0.510 244 N N -1.082 117.445 118.700 -0.287 0.000 2.652 244 N HA 0.220 4.960 4.740 -0.000 0.000 0.226 244 N C 1.124 176.285 175.510 -0.583 0.000 1.023 244 N CA 1.369 54.147 53.050 -0.454 0.000 1.126 244 N CB 0.353 38.406 38.487 -0.724 0.000 1.476 244 N HN 0.183 nan 8.380 nan 0.000 0.537 245 G N -1.278 107.041 108.800 -0.802 0.000 4.511 245 G HA2 0.009 3.969 3.960 -0.000 0.000 0.220 245 G HA3 0.009 3.969 3.960 -0.000 0.000 0.220 245 G C 0.598 175.244 174.900 -0.422 0.000 0.733 245 G CA 0.111 44.905 45.100 -0.510 0.000 0.897 245 G HN 0.469 nan 8.290 nan 0.000 0.691 246 G N 1.182 109.632 108.800 -0.583 0.000 2.306 246 G HA2 -0.107 3.853 3.960 -0.000 0.000 0.238 246 G HA3 -0.107 3.853 3.960 -0.000 0.000 0.238 246 G C 0.712 175.576 174.900 -0.060 0.000 0.692 246 G CA 1.106 46.081 45.100 -0.208 0.000 1.064 246 G HN 0.940 nan 8.290 nan 0.000 0.519 247 Q N 0.240 120.031 119.800 -0.014 0.000 2.493 247 Q HA 0.392 4.732 4.340 -0.000 0.000 0.252 247 Q C 0.900 176.895 176.000 -0.009 0.000 1.343 247 Q CA 1.002 56.794 55.803 -0.019 0.000 0.894 247 Q CB -0.584 28.157 28.738 0.005 0.000 1.600 247 Q HN 0.536 nan 8.270 nan 0.000 0.533 248 G N 1.855 110.643 108.800 -0.020 0.000 2.512 248 G HA2 0.442 4.402 3.960 -0.000 0.000 0.186 248 G HA3 0.442 4.402 3.960 -0.000 0.000 0.186 248 G C -1.540 173.364 174.900 0.006 0.000 1.189 248 G CA -0.443 44.655 45.100 -0.003 0.000 0.994 248 G HN 0.442 nan 8.290 nan 0.000 0.506 249 I N 0.421 121.001 120.570 0.017 0.000 3.004 249 I HA 0.538 4.708 4.170 -0.000 0.000 0.305 249 I C -0.465 175.666 176.117 0.024 0.000 1.312 249 I CA -0.863 60.451 61.300 0.023 0.000 0.992 249 I CB 2.435 40.453 38.000 0.030 0.000 1.282 249 I HN 0.619 nan 8.210 nan 0.000 0.449 250 L N 3.295 124.532 121.223 0.023 0.000 3.146 250 L HA 0.713 5.053 4.340 -0.000 0.000 0.229 250 L C -0.483 176.401 176.870 0.024 0.000 2.007 250 L CA -0.633 54.221 54.840 0.023 0.000 2.100 250 L CB 0.554 42.624 42.059 0.019 0.000 2.137 250 L HN 0.414 nan 8.230 nan 0.000 0.564 251 V N -1.821 118.106 119.914 0.021 0.000 6.316 251 V HA 0.629 4.749 4.120 -0.000 0.000 0.299 251 V C -0.734 175.370 176.094 0.017 0.000 1.651 251 V CA 0.629 62.941 62.300 0.020 0.000 0.664 251 V CB 1.931 33.767 31.823 0.021 0.000 1.471 251 V HN 0.962 nan 8.190 nan 0.000 0.398 252 K N -0.390 120.019 120.400 0.016 0.000 7.496 252 K HA 0.163 4.483 4.320 -0.000 0.000 0.428 252 K C -1.021 175.586 176.600 0.013 0.000 1.444 252 K CA 0.654 56.949 56.287 0.013 0.000 0.969 252 K CB -1.182 31.325 32.500 0.012 0.000 1.138 252 K HN 0.801 nan 8.250 nan 0.000 0.655 253 Q N 1.660 121.467 119.800 0.012 0.000 2.857 253 Q HA -0.141 4.199 4.340 -0.000 0.000 0.120 253 Q C -1.230 174.776 176.000 0.010 0.000 1.512 253 Q CA 1.654 57.464 55.803 0.011 0.000 0.484 253 Q CB -0.602 28.144 28.738 0.012 0.000 0.656 253 Q HN 0.393 nan 8.270 nan 0.000 0.318 254 Q N 0.330 120.135 119.800 0.009 0.000 2.470 254 Q HA -0.291 4.049 4.340 -0.000 0.000 0.290 254 Q C -0.385 175.620 176.000 0.008 0.000 1.353 254 Q CA 0.771 56.579 55.803 0.008 0.000 0.787 254 Q CB -1.997 26.746 28.738 0.008 0.000 1.158 254 Q HN 0.898 nan 8.270 nan 0.000 0.426 255 N N -0.175 118.529 118.700 0.008 0.000 3.342 255 N HA -0.188 4.552 4.740 -0.000 0.000 0.355 255 N C 1.135 176.650 175.510 0.008 0.000 1.382 255 N CA 3.102 56.156 53.050 0.007 0.000 2.735 255 N CB -0.453 38.038 38.487 0.006 0.000 0.536 255 N HN 0.857 nan 8.380 nan 0.000 0.862 256 G N 1.865 110.670 108.800 0.009 0.000 2.428 256 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.199 256 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.199 256 G C 0.055 174.962 174.900 0.011 0.000 1.005 256 G CA 0.151 45.257 45.100 0.009 0.000 0.671 256 G HN 0.553 nan 8.290 nan 0.000 0.485 257 K N 1.378 121.785 120.400 0.012 0.000 2.655 257 K HA 0.442 4.762 4.320 -0.000 0.000 0.213 257 K C 0.710 177.318 176.600 0.014 0.000 1.126 257 K CA -0.335 55.960 56.287 0.014 0.000 1.076 257 K CB 0.156 32.665 32.500 0.015 0.000 1.644 257 K HN 0.404 nan 8.250 nan 0.000 0.523 258 L N -0.740 120.491 121.223 0.013 0.000 2.737 258 L HA 0.388 4.728 4.340 -0.000 0.000 0.236 258 L C -0.044 176.834 176.870 0.013 0.000 1.219 258 L CA -0.223 54.624 54.840 0.012 0.000 1.021 258 L CB -0.266 41.798 42.059 0.009 0.000 1.291 258 L HN 0.141 nan 8.230 nan 0.000 0.470 259 E N -1.074 119.136 120.200 0.017 0.000 2.390 259 E HA 0.517 4.867 4.350 -0.000 0.000 0.277 259 E C -0.027 176.588 176.600 0.024 0.000 0.939 259 E CA -0.442 55.970 56.400 0.020 0.000 0.769 259 E CB 1.718 31.431 29.700 0.021 0.000 1.251 259 E HN 0.148 nan 8.360 nan 0.000 0.450 260 S N 1.455 117.172 115.700 0.028 0.000 4.173 260 S HA -0.179 4.291 4.470 -0.000 0.000 0.302 260 S C -0.194 174.428 174.600 0.036 0.000 1.724 260 S CA 0.644 58.864 58.200 0.033 0.000 1.465 260 S CB -0.058 63.164 63.200 0.037 0.000 0.470 260 S HN 0.549 nan 8.310 nan 0.000 0.290 261 Q N -0.391 119.435 119.800 0.044 0.000 4.206 261 Q HA 0.153 4.493 4.340 -0.000 0.000 0.121 261 Q C -0.828 175.205 176.000 0.056 0.000 0.844 261 Q CA -0.055 55.776 55.803 0.046 0.000 0.903 261 Q CB -0.137 28.623 28.738 0.037 0.000 1.510 261 Q HN 0.471 nan 8.270 nan 0.000 0.505 262 V N -1.278 118.681 119.914 0.074 0.000 5.342 262 V HA 0.635 4.755 4.120 -0.000 0.000 0.274 262 V C 0.290 176.443 176.094 0.097 0.000 1.432 262 V CA -0.127 62.228 62.300 0.092 0.000 0.695 262 V CB 0.804 32.698 31.823 0.119 0.000 1.334 262 V HN 0.572 nan 8.190 nan 0.000 0.400 263 E N -0.822 119.455 120.200 0.129 0.000 2.357 263 E HA 0.646 4.996 4.350 -0.000 0.000 0.264 263 E C -0.911 175.702 176.600 0.022 0.000 1.164 263 E CA -0.835 55.611 56.400 0.077 0.000 0.893 263 E CB 1.357 31.084 29.700 0.046 0.000 1.619 263 E HN 0.694 nan 8.360 nan 0.000 0.464 264 M N -0.130 119.419 119.600 -0.084 0.000 2.534 264 M HA 0.388 4.868 4.480 -0.000 0.000 0.280 264 M C -1.219 175.015 176.300 -0.111 0.000 1.217 264 M CA -0.324 54.843 55.300 -0.222 0.000 0.893 264 M CB 2.600 34.912 32.600 -0.480 0.000 1.730 264 M HN 0.757 nan 8.290 nan 0.000 0.483 265 Q N 1.032 120.799 119.800 -0.054 0.000 3.069 265 Q HA 0.716 5.056 4.340 -0.000 0.000 0.228 265 Q C -1.741 174.383 176.000 0.208 0.000 1.131 265 Q CA -0.329 55.504 55.803 0.049 0.000 0.454 265 Q CB 1.994 30.789 28.738 0.095 0.000 5.178 265 Q HN 0.558 nan 8.270 nan 0.000 0.289 266 F N -0.684 119.272 119.950 0.011 0.000 2.793 266 F HA 0.265 4.792 4.527 -0.000 0.000 0.327 266 F C -2.103 173.749 175.800 0.088 0.000 1.116 266 F CA -0.846 57.175 58.000 0.035 0.000 0.908 266 F CB 0.591 39.581 39.000 -0.017 0.000 1.379 266 F HN 0.403 nan 8.300 nan 0.000 0.474 267 F N 3.651 123.495 119.950 -0.175 0.000 2.824 267 F HA 0.446 4.973 4.527 -0.000 0.000 0.375 267 F C 0.273 175.931 175.800 -0.237 0.000 1.190 267 F CA -0.051 57.858 58.000 -0.152 0.000 1.180 267 F CB 0.930 39.849 39.000 -0.135 0.000 1.477 267 F HN 0.407 nan 8.300 nan 0.000 0.542 268 S N 0.665 116.284 115.700 -0.135 0.000 3.224 268 S HA 0.532 5.002 4.470 -0.000 0.000 0.171 268 S C 0.693 175.251 174.600 -0.070 0.000 0.846 268 S CA 0.719 58.854 58.200 -0.108 0.000 1.328 268 S CB 0.659 63.827 63.200 -0.052 0.000 0.614 268 S HN 0.471 nan 8.310 nan 0.000 0.578 269 T N -1.179 113.331 114.554 -0.074 0.000 3.797 269 T HA 0.284 4.634 4.350 -0.000 0.000 0.246 269 T C 0.114 174.777 174.700 -0.063 0.000 0.833 269 T CA 0.444 62.505 62.100 -0.064 0.000 1.120 269 T CB -0.154 68.692 68.868 -0.036 0.000 0.984 269 T HN 0.678 nan 8.240 nan 0.000 0.381 280 L N -1.116 120.104 121.223 -0.004 0.000 2.766 280 L HA 0.591 4.931 4.340 -0.000 0.000 0.242 280 L C 0.374 177.246 176.870 0.003 0.000 1.136 280 L CA 0.062 54.899 54.840 -0.004 0.000 0.933 280 L CB 0.817 42.872 42.059 -0.006 0.000 1.241 280 L HN 0.178 nan 8.230 nan 0.000 0.522 281 T N 0.635 115.197 114.554 0.014 0.000 2.883 281 T HA 0.645 4.995 4.350 -0.000 0.000 0.301 281 T C -2.694 172.041 174.700 0.059 0.000 1.158 281 T CA -0.806 61.312 62.100 0.030 0.000 1.007 281 T CB 2.486 71.371 68.868 0.028 0.000 1.186 281 T HN 0.001 nan 8.240 nan 0.000 0.499 282 P HA 0.605 nan 4.420 nan 0.000 0.290 282 P C -1.675 175.777 177.300 0.253 0.000 1.283 282 P CA -0.834 62.397 63.100 0.218 0.000 0.869 282 P CB 0.731 32.650 31.700 0.366 0.000 1.100 283 K N 0.747 121.244 120.400 0.161 0.000 2.984 283 K HA 0.534 4.854 4.320 -0.000 0.000 0.211 283 K C -0.950 175.559 176.600 -0.152 0.000 1.174 283 K CA -0.632 55.703 56.287 0.079 0.000 0.978 283 K CB 0.167 32.697 32.500 0.048 0.000 1.212 283 K HN 0.172 nan 8.250 nan 0.000 0.589 284 V N -1.067 118.593 119.914 -0.422 0.000 3.446 284 V HA 0.570 4.690 4.120 -0.000 0.000 0.315 284 V C -1.193 174.637 176.094 -0.441 0.000 1.645 284 V CA -0.816 61.128 62.300 -0.592 0.000 0.937 284 V CB 1.486 32.811 31.823 -0.831 0.000 0.999 284 V HN 0.266 nan 8.190 nan 0.000 0.484 285 V N 0.966 120.687 119.914 -0.321 0.000 2.915 285 V HA 0.574 4.694 4.120 -0.000 0.000 0.282 285 V C -2.280 173.945 176.094 0.218 0.000 1.445 285 V CA -0.150 62.315 62.300 0.274 0.000 0.953 285 V CB 1.807 33.776 31.823 0.243 0.000 1.140 285 V HN 0.722 nan 8.190 nan 0.000 0.440 286 L N 5.744 127.146 121.223 0.298 0.000 2.359 286 L HA 0.784 5.124 4.340 -0.000 0.000 0.256 286 L C -1.112 175.800 176.870 0.069 0.000 1.026 286 L CA -0.607 54.337 54.840 0.173 0.000 0.828 286 L CB 2.290 44.457 42.059 0.178 0.000 1.406 286 L HN 0.898 nan 8.230 nan 0.000 0.413 287 Y N -0.831 119.538 120.300 0.114 0.000 2.879 287 Y HA 0.312 4.862 4.550 -0.000 0.000 0.385 287 Y C -0.277 175.664 175.900 0.069 0.000 1.153 287 Y CA -0.348 57.803 58.100 0.085 0.000 1.245 287 Y CB 1.760 40.266 38.460 0.076 0.000 1.472 287 Y HN 0.695 nan 8.280 nan 0.000 0.490 288 S N 1.005 116.885 115.700 0.301 0.000 2.669 288 S HA 0.678 5.148 4.470 -0.000 0.000 0.266 288 S C -2.159 172.518 174.600 0.128 0.000 1.149 288 S CA -0.405 57.895 58.200 0.166 0.000 0.842 288 S CB 2.174 65.453 63.200 0.131 0.000 1.160 288 S HN 0.771 nan 8.310 nan 0.000 0.487 289 E N -0.189 120.065 120.200 0.089 0.000 2.411 289 E HA 0.370 4.720 4.350 -0.000 0.000 0.279 289 E C -2.423 174.210 176.600 0.056 0.000 1.132 289 E CA -0.400 56.041 56.400 0.069 0.000 0.876 289 E CB 1.684 31.416 29.700 0.053 0.000 1.335 289 E HN 0.638 nan 8.360 nan 0.000 0.436 290 D N 0.056 120.485 120.400 0.049 0.000 2.732 290 D HA 0.610 5.250 4.640 -0.000 0.000 0.229 290 D C -0.883 175.442 176.300 0.041 0.000 1.152 290 D CA -0.228 53.800 54.000 0.045 0.000 0.854 290 D CB 2.209 43.037 40.800 0.048 0.000 1.590 290 D HN 0.235 nan 8.370 nan 0.000 0.468 291 V N -0.246 119.694 119.914 0.043 0.000 3.427 291 V HA 0.513 4.633 4.120 -0.000 0.000 0.311 291 V C -1.038 175.103 176.094 0.077 0.000 1.473 291 V CA -0.917 61.415 62.300 0.054 0.000 0.978 291 V CB 1.446 33.292 31.823 0.039 0.000 1.101 291 V HN 0.436 nan 8.190 nan 0.000 0.481 292 D N 0.281 120.757 120.400 0.128 0.000 2.217 292 D HA 0.613 5.253 4.640 -0.000 0.000 0.243 292 D C -1.053 175.382 176.300 0.224 0.000 1.054 292 D CA -0.060 54.025 54.000 0.142 0.000 0.838 292 D CB 2.356 43.232 40.800 0.126 0.000 1.162 292 D HN 0.387 nan 8.370 nan 0.000 0.472 293 I N 1.390 122.027 120.570 0.113 0.000 3.062 293 I HA 0.196 4.366 4.170 -0.000 0.000 0.316 293 I C -0.214 175.896 176.117 -0.013 0.000 1.041 293 I CA -0.434 60.920 61.300 0.089 0.000 1.069 293 I CB 1.482 39.496 38.000 0.024 0.000 1.300 293 I HN 0.282 nan 8.210 nan 0.000 0.518 294 E N 1.260 121.425 120.200 -0.059 0.000 3.544 294 E HA 0.219 4.569 4.350 -0.000 0.000 0.264 294 E C -1.421 175.118 176.600 -0.102 0.000 1.225 294 E CA -0.073 56.259 56.400 -0.113 0.000 1.045 294 E CB 0.793 30.380 29.700 -0.188 0.000 1.338 294 E HN 0.374 nan 8.360 nan 0.000 0.395 295 T N 2.830 117.348 114.554 -0.060 0.000 3.400 295 T HA 0.200 4.550 4.350 -0.000 0.000 0.362 295 T C -1.895 172.802 174.700 -0.004 0.000 1.823 295 T CA -1.026 61.057 62.100 -0.027 0.000 1.374 295 T CB 0.584 69.448 68.868 -0.007 0.000 1.130 295 T HN 0.264 nan 8.240 nan 0.000 0.744 296 P HA 0.138 nan 4.420 nan 0.000 0.219 296 P C 0.377 177.691 177.300 0.024 0.000 1.129 296 P CA 0.390 63.496 63.100 0.011 0.000 0.910 296 P CB 0.225 31.921 31.700 -0.007 0.000 0.853 297 D N 0.542 120.950 120.400 0.013 0.000 2.870 297 D HA 0.127 4.767 4.640 -0.000 0.000 0.241 297 D C -0.704 175.562 176.300 -0.057 0.000 1.234 297 D CA -0.171 53.832 54.000 0.005 0.000 0.844 297 D CB -1.169 39.645 40.800 0.023 0.000 1.051 297 D HN -0.050 nan 8.370 nan 0.000 0.469 298 T N -0.080 114.421 114.554 -0.087 0.000 3.422 298 T HA 0.115 4.465 4.350 -0.000 0.000 0.327 298 T C -0.461 174.159 174.700 -0.133 0.000 0.840 298 T CA -0.952 61.037 62.100 -0.184 0.000 1.126 298 T CB 0.135 68.968 68.868 -0.058 0.000 1.008 298 T HN 0.331 nan 8.240 nan 0.000 0.485 299 H N 1.678 120.738 119.070 -0.016 0.000 2.509 299 H HA 0.775 5.331 4.556 -0.000 0.000 0.359 299 H C -0.497 174.814 175.328 -0.028 0.000 1.253 299 H CA -0.775 55.261 56.048 -0.021 0.000 1.373 299 H CB 1.138 30.881 29.762 -0.031 0.000 1.555 299 H HN 0.299 nan 8.280 nan 0.000 0.586 300 I N -0.105 120.545 120.570 0.133 0.000 2.863 300 I HA 0.044 4.214 4.170 -0.000 0.000 0.311 300 I C 0.995 177.156 176.117 0.073 0.000 1.026 300 I CA -0.211 61.131 61.300 0.070 0.000 1.077 300 I CB 2.220 40.245 38.000 0.043 0.000 1.262 300 I HN 0.828 nan 8.210 nan 0.000 0.461 301 S N 2.379 118.121 115.700 0.069 0.000 2.655 301 S HA 0.132 4.602 4.470 -0.000 0.000 0.231 301 S C 0.206 174.839 174.600 0.055 0.000 1.044 301 S CA 0.272 58.518 58.200 0.076 0.000 0.910 301 S CB -0.439 62.827 63.200 0.110 0.000 0.833 301 S HN 0.410 nan 8.310 nan 0.000 0.581 302 Y N 3.163 123.467 120.300 0.007 0.000 2.504 302 Y HA 0.502 5.052 4.550 -0.000 0.000 0.351 302 Y C -0.339 175.556 175.900 -0.009 0.000 0.988 302 Y CA -0.925 57.174 58.100 -0.000 0.000 1.239 302 Y CB 0.294 38.755 38.460 0.001 0.000 1.128 302 Y HN 0.155 nan 8.280 nan 0.000 0.525 303 M N 9.251 128.564 119.600 -0.479 0.000 2.055 303 M HA 0.270 4.750 4.480 -0.000 0.000 0.347 303 M C -2.005 174.080 176.300 -0.358 0.000 1.123 303 M CA -2.632 52.487 55.300 -0.302 0.000 1.035 303 M CB 1.091 33.564 32.600 -0.211 0.000 1.484 303 M HN 0.421 nan 8.290 nan 0.000 0.428 304 P HA 0.214 nan 4.420 nan 0.000 0.272 304 P C -0.135 177.119 177.300 -0.075 0.000 1.408 304 P CA 0.214 63.250 63.100 -0.106 0.000 0.996 304 P CB 0.869 32.571 31.700 0.004 0.000 1.481 305 T N -0.162 114.343 114.554 -0.081 0.000 2.718 305 T HA 0.541 4.891 4.350 -0.000 0.000 0.306 305 T C -1.980 172.687 174.700 -0.055 0.000 1.485 305 T CA -0.425 61.639 62.100 -0.060 0.000 0.997 305 T CB 1.091 69.929 68.868 -0.049 0.000 1.504 305 T HN -0.069 nan 8.240 nan 0.000 0.497 306 I N 2.925 123.470 120.570 -0.042 0.000 2.649 306 I HA 0.482 4.652 4.170 -0.000 0.000 0.275 306 I C -0.969 175.134 176.117 -0.023 0.000 1.153 306 I CA -0.525 60.755 61.300 -0.034 0.000 1.069 306 I CB 0.363 38.342 38.000 -0.035 0.000 1.227 306 I HN 0.528 nan 8.210 nan 0.000 0.505 307 K N 4.419 124.807 120.400 -0.019 0.000 2.393 307 K HA 0.667 4.987 4.320 -0.000 0.000 0.241 307 K C 0.100 176.696 176.600 -0.006 0.000 1.055 307 K CA -0.582 55.699 56.287 -0.010 0.000 0.951 307 K CB 0.622 33.117 32.500 -0.008 0.000 1.285 307 K HN 0.107 nan 8.250 nan 0.000 0.500 308 E N -1.068 119.132 120.200 -0.000 0.000 2.453 308 E HA 0.193 4.543 4.350 -0.000 0.000 0.211 308 E C 0.734 177.338 176.600 0.007 0.000 0.897 308 E CA 0.692 57.094 56.400 0.003 0.000 1.063 308 E CB 1.195 30.898 29.700 0.004 0.000 1.080 308 E HN 0.778 nan 8.360 nan 0.000 0.512 309 G N 0.593 109.398 108.800 0.009 0.000 2.524 309 G HA2 0.054 4.014 3.960 -0.000 0.000 0.172 309 G HA3 0.054 4.014 3.960 -0.000 0.000 0.172 309 G C 0.380 175.289 174.900 0.015 0.000 1.636 309 G CA -0.005 45.104 45.100 0.014 0.000 0.732 309 G HN 0.051 nan 8.290 nan 0.000 0.753 310 N N -0.127 118.585 118.700 0.020 0.000 2.604 310 N HA 0.720 5.460 4.740 -0.000 0.000 0.297 310 N C -1.226 174.293 175.510 0.016 0.000 1.266 310 N CA -0.179 52.885 53.050 0.024 0.000 0.961 310 N CB 1.905 40.414 38.487 0.038 0.000 1.166 310 N HN 0.233 nan 8.380 nan 0.000 0.601 311 S N -1.498 114.211 115.700 0.016 0.000 2.744 311 S HA 0.153 4.623 4.470 -0.000 0.000 0.310 311 S C -0.075 174.510 174.600 -0.026 0.000 0.896 311 S CA -0.604 57.593 58.200 -0.005 0.000 0.807 311 S CB 0.324 63.511 63.200 -0.022 0.000 1.007 311 S HN 0.674 nan 8.310 nan 0.000 0.483 312 R N 1.792 122.255 120.500 -0.062 0.000 2.297 312 R HA 0.319 4.659 4.340 -0.000 0.000 0.197 312 R C 1.088 177.226 176.300 -0.270 0.000 0.943 312 R CA 0.179 56.172 56.100 -0.179 0.000 1.038 312 R CB 0.061 30.162 30.300 -0.332 0.000 0.957 312 R HN 0.410 nan 8.270 nan 0.000 0.484 313 E N 1.321 121.416 120.200 -0.175 0.000 2.208 313 E HA -0.049 4.301 4.350 -0.000 0.000 0.193 313 E C 0.871 177.402 176.600 -0.115 0.000 0.988 313 E CA 0.854 57.163 56.400 -0.152 0.000 0.828 313 E CB 0.124 29.765 29.700 -0.098 0.000 0.763 313 E HN 0.383 nan 8.360 nan 0.000 0.478 314 L N 1.006 122.176 121.223 -0.088 0.000 2.779 314 L HA 0.083 4.423 4.340 -0.000 0.000 0.239 314 L C 1.318 178.151 176.870 -0.063 0.000 1.245 314 L CA -0.074 54.734 54.840 -0.054 0.000 1.064 314 L CB -0.010 42.030 42.059 -0.032 0.000 1.350 314 L HN -0.089 nan 8.230 nan 0.000 0.455 315 M N 0.458 119.986 119.600 -0.120 0.000 2.654 315 M HA 0.271 4.751 4.480 -0.000 0.000 0.217 315 M C 0.751 176.988 176.300 -0.105 0.000 1.183 315 M CA 0.114 55.329 55.300 -0.141 0.000 0.991 315 M CB -0.390 32.043 32.600 -0.279 0.000 1.749 315 M HN 0.233 nan 8.290 nan 0.000 0.475 316 G N 0.706 109.475 108.800 -0.053 0.000 2.919 316 G HA2 0.552 4.512 3.960 -0.000 0.000 0.303 316 G HA3 0.552 4.512 3.960 -0.000 0.000 0.303 316 G C -0.752 174.182 174.900 0.057 0.000 1.611 316 G CA -0.435 44.656 45.100 -0.016 0.000 0.876 316 G HN 0.335 nan 8.290 nan 0.000 0.481 317 Q N 0.168 120.005 119.800 0.061 0.000 2.991 317 Q HA 0.786 5.126 4.340 -0.000 0.000 0.322 317 Q C -0.479 175.569 176.000 0.079 0.000 0.978 317 Q CA -0.879 54.992 55.803 0.114 0.000 0.787 317 Q CB 1.322 30.114 28.738 0.090 0.000 1.492 317 Q HN 0.355 nan 8.270 nan 0.000 0.498 318 Q N -0.740 119.115 119.800 0.092 0.000 3.323 318 Q HA 0.801 5.141 4.340 -0.000 0.000 0.329 318 Q C -1.135 174.886 176.000 0.035 0.000 0.939 318 Q CA -0.626 55.211 55.803 0.057 0.000 0.828 318 Q CB 2.064 30.836 28.738 0.056 0.000 1.564 318 Q HN 0.610 nan 8.270 nan 0.000 0.463 319 S N -1.116 114.582 115.700 -0.002 0.000 2.683 319 S HA 0.838 5.308 4.470 -0.000 0.000 0.269 319 S C -1.501 173.017 174.600 -0.136 0.000 1.165 319 S CA -0.840 57.317 58.200 -0.072 0.000 0.840 319 S CB 1.371 64.505 63.200 -0.111 0.000 1.169 319 S HN 0.479 nan 8.310 nan 0.000 0.490 320 M N 1.170 120.618 119.600 -0.253 0.000 3.022 320 M HA 0.193 4.673 4.480 -0.000 0.000 0.229 320 M C -3.001 173.095 176.300 -0.341 0.000 0.782 320 M CA -0.647 54.491 55.300 -0.269 0.000 0.840 320 M CB 1.901 34.445 32.600 -0.092 0.000 1.592 320 M HN 0.567 nan 8.290 nan 0.000 0.593 321 P HA 0.363 nan 4.420 nan 0.000 0.344 321 P C -1.069 176.041 177.300 -0.316 0.000 1.321 321 P CA -0.200 62.721 63.100 -0.298 0.000 0.773 321 P CB 0.490 32.096 31.700 -0.155 0.000 1.723 322 N N -0.958 117.653 118.700 -0.149 0.000 2.430 322 N HA 0.274 5.014 4.740 -0.000 0.000 0.292 322 N C -0.260 175.299 175.510 0.081 0.000 1.051 322 N CA -0.541 52.503 53.050 -0.010 0.000 0.917 322 N CB 0.500 39.018 38.487 0.052 0.000 1.164 322 N HN 0.216 nan 8.380 nan 0.000 0.484 323 R N 1.643 122.228 120.500 0.142 0.000 2.594 323 R HA 0.239 4.579 4.340 -0.000 0.000 0.272 323 R C -1.973 174.478 176.300 0.252 0.000 1.074 323 R CA -1.314 54.889 56.100 0.171 0.000 1.105 323 R CB -0.332 30.017 30.300 0.082 0.000 1.008 323 R HN 0.346 nan 8.270 nan 0.000 0.472 324 P HA -0.210 nan 4.420 nan 0.000 0.273 324 P C -0.791 176.883 177.300 0.623 0.000 1.435 324 P CA 0.958 64.445 63.100 0.644 0.000 0.779 324 P CB -0.518 31.733 31.700 0.917 0.000 1.564 325 N N 0.453 119.356 118.700 0.338 0.000 2.472 325 N HA 0.112 4.852 4.740 -0.000 0.000 0.277 325 N C -0.692 174.922 175.510 0.173 0.000 1.081 325 N CA 0.032 53.270 53.050 0.313 0.000 0.973 325 N CB 0.346 38.954 38.487 0.202 0.000 1.105 325 N HN 0.049 nan 8.380 nan 0.000 0.470 326 Y N 1.852 122.250 120.300 0.163 0.000 2.698 326 Y HA 0.621 5.171 4.550 -0.000 0.000 0.332 326 Y C -0.071 175.940 175.900 0.185 0.000 1.119 326 Y CA -1.082 57.115 58.100 0.162 0.000 1.109 326 Y CB 1.735 40.290 38.460 0.159 0.000 1.308 326 Y HN 0.202 nan 8.280 nan 0.000 0.499 327 I N 0.812 121.632 120.570 0.416 0.000 2.743 327 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 327 I C -0.802 175.444 176.117 0.215 0.000 1.343 327 I CA -0.791 60.681 61.300 0.286 0.000 1.038 327 I CB 1.672 39.840 38.000 0.280 0.000 1.311 327 I HN 0.741 nan 8.210 nan 0.000 0.426 328 A N 5.045 127.966 122.820 0.169 0.000 2.317 328 A HA 0.474 4.794 4.320 -0.000 0.000 0.225 328 A C -0.205 177.543 177.584 0.273 0.000 2.493 328 A CA -0.160 51.980 52.037 0.172 0.000 1.840 328 A CB -0.459 18.648 19.000 0.178 0.000 0.584 328 A HN 0.866 nan 8.150 nan 0.000 0.821 329 F N -0.314 119.640 119.950 0.006 0.000 2.183 329 F HA -0.255 4.272 4.527 -0.000 0.000 0.318 329 F C 0.197 176.035 175.800 0.062 0.000 0.568 329 F CA 1.659 59.650 58.000 -0.016 0.000 0.912 329 F CB -0.223 38.731 39.000 -0.077 0.000 4.135 329 F HN 0.517 nan 8.300 nan 0.000 0.137 330 R N 0.586 121.180 120.500 0.156 0.000 2.888 330 R HA 0.379 4.719 4.340 -0.000 0.000 0.266 330 R C -1.619 174.875 176.300 0.323 0.000 1.020 330 R CA -1.050 55.103 56.100 0.088 0.000 0.963 330 R CB 1.049 31.224 30.300 -0.208 0.000 1.197 330 R HN 0.362 nan 8.270 nan 0.000 0.481 331 D N 1.362 121.878 120.400 0.192 0.000 2.449 331 D HA -0.043 4.597 4.640 -0.000 0.000 0.236 331 D C 0.625 177.038 176.300 0.188 0.000 1.149 331 D CA 0.892 55.004 54.000 0.187 0.000 0.878 331 D CB 0.362 41.220 40.800 0.096 0.000 1.198 331 D HN 0.624 nan 8.370 nan 0.000 0.446 332 N N 1.413 120.217 118.700 0.174 0.000 2.753 332 N HA -0.317 4.423 4.740 -0.000 0.000 0.241 332 N C -0.109 175.549 175.510 0.246 0.000 1.054 332 N CA 0.657 53.742 53.050 0.059 0.000 0.947 332 N CB -0.579 37.742 38.487 -0.277 0.000 1.141 332 N HN 0.406 nan 8.380 nan 0.000 0.598 333 F N -0.909 119.188 119.950 0.245 0.000 2.969 333 F HA -0.130 4.397 4.527 -0.000 0.000 0.326 333 F C 0.708 176.642 175.800 0.224 0.000 0.933 333 F CA 0.298 58.547 58.000 0.415 0.000 1.229 333 F CB -2.085 37.041 39.000 0.210 0.000 1.320 333 F HN 0.143 nan 8.300 nan 0.000 0.657 334 I N -1.671 119.042 120.570 0.238 0.000 2.634 334 I HA 0.571 4.741 4.170 -0.000 0.000 0.284 334 I C 1.244 177.364 176.117 0.004 0.000 1.124 334 I CA 0.681 62.008 61.300 0.045 0.000 1.417 334 I CB 0.721 38.691 38.000 -0.050 0.000 1.396 334 I HN 0.516 nan 8.210 nan 0.000 0.571 335 G N 4.268 113.109 108.800 0.070 0.000 2.358 335 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.224 335 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.224 335 G C 0.574 175.416 174.900 -0.097 0.000 1.073 335 G CA 0.194 45.304 45.100 0.017 0.000 0.635 335 G HN 0.765 nan 8.290 nan 0.000 0.509 336 L N 0.655 121.819 121.223 -0.099 0.000 2.502 336 L HA -0.243 4.097 4.340 -0.000 0.000 0.248 336 L C 2.175 178.854 176.870 -0.319 0.000 1.286 336 L CA 2.652 57.385 54.840 -0.179 0.000 0.797 336 L CB -1.571 40.398 42.059 -0.150 0.000 1.076 336 L HN 0.546 nan 8.230 nan 0.000 0.405 337 M N -1.165 118.169 119.600 -0.444 0.000 2.231 337 M HA -0.038 4.442 4.480 -0.000 0.000 0.299 337 M C -0.565 175.549 176.300 -0.310 0.000 1.076 337 M CA 0.581 55.638 55.300 -0.404 0.000 1.152 337 M CB -0.338 31.400 32.600 -1.435 0.000 1.414 337 M HN 0.054 nan 8.290 nan 0.000 0.439 338 Y N 1.114 121.586 120.300 0.287 0.000 2.632 338 Y HA 0.221 4.771 4.550 -0.000 0.000 0.336 338 Y C -0.680 175.406 175.900 0.309 0.000 1.237 338 Y CA -0.267 57.915 58.100 0.136 0.000 1.595 338 Y CB -1.025 37.453 38.460 0.031 0.000 1.508 338 Y HN 0.294 nan 8.280 nan 0.000 0.480 339 Y N 2.505 123.024 120.300 0.365 0.000 2.511 339 Y HA -0.055 4.495 4.550 -0.000 0.000 0.332 339 Y C 1.225 177.228 175.900 0.171 0.000 1.177 339 Y CA 0.189 58.444 58.100 0.258 0.000 1.422 339 Y CB -0.002 38.466 38.460 0.013 0.000 1.271 339 Y HN 0.740 nan 8.280 nan 0.000 0.550 340 N N -0.183 118.709 118.700 0.320 0.000 3.667 340 N HA -0.375 4.365 4.740 -0.000 0.000 0.216 340 N C 0.062 175.609 175.510 0.062 0.000 0.363 340 N CA 0.626 53.751 53.050 0.125 0.000 2.308 340 N CB -0.984 37.534 38.487 0.051 0.000 1.474 340 N HN 0.577 nan 8.380 nan 0.000 0.359 341 S N 0.114 115.842 115.700 0.047 0.000 3.496 341 S HA -0.211 4.259 4.470 -0.000 0.000 0.772 341 S C 0.775 175.335 174.600 -0.067 0.000 2.088 341 S CA 1.056 59.253 58.200 -0.004 0.000 2.057 341 S CB -0.188 63.020 63.200 0.014 0.000 0.305 341 S HN 0.568 nan 8.310 nan 0.000 1.046 342 T N 1.569 116.068 114.554 -0.091 0.000 5.037 342 T HA 0.301 4.651 4.350 -0.000 0.000 0.429 342 T C 1.569 176.178 174.700 -0.152 0.000 1.038 342 T CA 0.166 62.204 62.100 -0.103 0.000 0.943 342 T CB -0.699 68.115 68.868 -0.090 0.000 1.448 342 T HN 1.347 nan 8.240 nan 0.000 0.450 343 G N 1.358 110.064 108.800 -0.157 0.000 3.211 343 G HA2 0.055 4.015 3.960 -0.000 0.000 0.235 343 G HA3 0.055 4.015 3.960 -0.000 0.000 0.235 343 G C 0.224 174.957 174.900 -0.279 0.000 1.032 343 G CA -0.317 44.669 45.100 -0.190 0.000 1.819 343 G HN 0.533 nan 8.290 nan 0.000 0.590 344 N N 0.270 118.768 118.700 -0.336 0.000 2.644 344 N HA 0.296 5.036 4.740 -0.000 0.000 0.313 344 N C -0.382 174.759 175.510 -0.615 0.000 1.863 344 N CA -0.014 52.748 53.050 -0.480 0.000 0.918 344 N CB 1.040 39.161 38.487 -0.610 0.000 1.320 344 N HN 0.223 nan 8.380 nan 0.000 0.490 345 M N -0.872 118.319 119.600 -0.683 0.000 2.690 345 M HA 0.641 5.121 4.480 -0.000 0.000 0.302 345 M C 0.606 176.298 176.300 -1.013 0.000 1.234 345 M CA -0.897 53.742 55.300 -1.101 0.000 0.853 345 M CB 1.584 33.826 32.600 -0.595 0.000 1.748 345 M HN -0.062 nan 8.290 nan 0.000 0.469 346 G N -0.162 107.946 108.800 -1.153 0.000 2.511 346 G HA2 0.750 4.710 3.960 -0.000 0.000 0.318 346 G HA3 0.750 4.710 3.960 -0.000 0.000 0.318 346 G C -0.532 174.341 174.900 -0.046 0.000 1.210 346 G CA -0.884 43.996 45.100 -0.368 0.000 0.969 346 G HN 0.651 nan 8.290 nan 0.000 0.484 347 V N -0.505 119.390 119.914 -0.033 0.000 5.342 347 V HA 0.602 4.722 4.120 -0.000 0.000 0.274 347 V C 0.828 176.917 176.094 -0.010 0.000 1.432 347 V CA -0.714 61.583 62.300 -0.004 0.000 0.695 347 V CB 0.828 32.651 31.823 -0.001 0.000 1.334 347 V HN 0.600 nan 8.190 nan 0.000 0.400 348 L N -1.729 119.503 121.223 0.015 0.000 2.073 348 L HA 0.197 4.537 4.340 -0.000 0.000 0.516 348 L C 0.511 177.417 176.870 0.060 0.000 0.774 348 L CA 0.774 55.632 54.840 0.029 0.000 1.941 348 L CB -1.680 40.370 42.059 -0.015 0.000 1.388 348 L HN 0.824 nan 8.230 nan 0.000 0.397 349 A N 0.187 123.049 122.820 0.070 0.000 2.262 349 A HA 0.649 4.969 4.320 -0.000 0.000 0.273 349 A C 1.187 178.875 177.584 0.173 0.000 1.202 349 A CA 0.546 52.645 52.037 0.103 0.000 0.811 349 A CB -0.409 18.637 19.000 0.078 0.000 1.159 349 A HN 0.523 nan 8.150 nan 0.000 0.505 350 G N -1.843 107.073 108.800 0.194 0.000 3.168 350 G HA2 0.178 4.138 3.960 -0.000 0.000 0.238 350 G HA3 0.178 4.138 3.960 -0.000 0.000 0.238 350 G C 0.294 175.262 174.900 0.112 0.000 1.256 350 G CA 0.897 46.103 45.100 0.177 0.000 0.872 350 G HN 0.999 nan 8.290 nan 0.000 0.609 351 Q N -0.612 119.222 119.800 0.057 0.000 2.258 351 Q HA 0.362 4.702 4.340 -0.000 0.000 0.173 351 Q C 1.768 177.770 176.000 0.004 0.000 0.618 351 Q CA 0.275 56.094 55.803 0.027 0.000 0.841 351 Q CB -0.009 28.735 28.738 0.010 0.000 1.177 351 Q HN 0.785 nan 8.270 nan 0.000 0.441 352 A N 0.526 123.332 122.820 -0.023 0.000 2.810 352 A HA 0.396 4.716 4.320 -0.000 0.000 0.247 352 A C 0.385 177.968 177.584 -0.001 0.000 1.576 352 A CA 0.853 52.877 52.037 -0.020 0.000 1.294 352 A CB -0.430 18.545 19.000 -0.043 0.000 0.976 352 A HN 0.348 nan 8.150 nan 0.000 0.631 353 S N -1.312 114.396 115.700 0.013 0.000 1.409 353 S HA -0.048 4.422 4.470 -0.000 0.000 0.128 353 S C 0.096 174.715 174.600 0.032 0.000 0.536 353 S CA 0.200 58.415 58.200 0.025 0.000 1.628 353 S CB -0.442 62.780 63.200 0.037 0.000 0.870 353 S HN 0.600 nan 8.310 nan 0.000 0.292 354 Q N 1.258 121.082 119.800 0.040 0.000 2.453 354 Q HA -0.167 4.173 4.340 -0.000 0.000 0.350 354 Q C -1.037 174.992 176.000 0.049 0.000 1.447 354 Q CA 0.415 56.245 55.803 0.045 0.000 0.968 354 Q CB -1.283 27.472 28.738 0.028 0.000 1.175 354 Q HN 0.539 nan 8.270 nan 0.000 0.354 355 L N 3.524 124.789 121.223 0.069 0.000 2.536 355 L HA 0.202 4.542 4.340 -0.000 0.000 0.242 355 L C 0.229 177.141 176.870 0.070 0.000 1.280 355 L CA 0.020 54.900 54.840 0.067 0.000 1.221 355 L CB -0.646 41.460 42.059 0.078 0.000 1.449 355 L HN 0.302 nan 8.230 nan 0.000 0.405 356 N N 1.871 120.605 118.700 0.056 0.000 1.810 356 N HA -0.185 4.555 4.740 -0.000 0.000 0.329 356 N C 0.744 176.297 175.510 0.072 0.000 1.228 356 N CA 1.052 54.135 53.050 0.054 0.000 0.794 356 N CB 0.786 39.299 38.487 0.043 0.000 1.012 356 N HN 0.622 nan 8.380 nan 0.000 0.502 357 A N 2.022 124.887 122.820 0.076 0.000 2.295 357 A HA 0.222 4.542 4.320 -0.000 0.000 0.193 357 A C -0.006 177.658 177.584 0.134 0.000 1.512 357 A CA -0.079 52.018 52.037 0.099 0.000 1.103 357 A CB 0.625 19.665 19.000 0.067 0.000 1.331 357 A HN 0.356 nan 8.150 nan 0.000 0.501 358 V N 1.233 121.199 119.914 0.086 0.000 2.398 358 V HA 0.557 4.677 4.120 -0.000 0.000 0.286 358 V C -0.991 175.121 176.094 0.030 0.000 1.026 358 V CA -0.290 62.051 62.300 0.069 0.000 0.868 358 V CB 1.502 33.345 31.823 0.033 0.000 0.982 358 V HN 0.097 nan 8.190 nan 0.000 0.443 359 V N 4.415 124.347 119.914 0.031 0.000 2.568 359 V HA 0.300 4.420 4.120 -0.000 0.000 0.276 359 V C -0.721 175.357 176.094 -0.026 0.000 1.002 359 V CA -0.718 61.574 62.300 -0.015 0.000 0.879 359 V CB 1.685 33.499 31.823 -0.016 0.000 1.040 359 V HN 0.804 nan 8.190 nan 0.000 0.457 360 D N 4.033 124.412 120.400 -0.035 0.000 2.317 360 D HA 0.313 4.953 4.640 -0.000 0.000 0.252 360 D C 0.073 176.356 176.300 -0.029 0.000 1.174 360 D CA 0.012 54.003 54.000 -0.015 0.000 0.866 360 D CB 1.705 42.523 40.800 0.030 0.000 1.127 360 D HN 0.359 nan 8.370 nan 0.000 0.467 361 L N 3.339 124.543 121.223 -0.032 0.000 2.453 361 L HA -0.054 4.286 4.340 -0.000 0.000 0.272 361 L C 2.062 178.911 176.870 -0.034 0.000 1.182 361 L CA 0.053 54.866 54.840 -0.044 0.000 0.858 361 L CB 0.889 42.913 42.059 -0.058 0.000 1.120 361 L HN 0.431 nan 8.230 nan 0.000 0.474 362 Q N 1.808 121.584 119.800 -0.039 0.000 2.083 362 Q HA -0.130 4.210 4.340 -0.000 0.000 0.198 362 Q C 0.719 176.693 176.000 -0.044 0.000 0.969 362 Q CA 0.921 56.703 55.803 -0.036 0.000 0.838 362 Q CB 0.096 28.812 28.738 -0.037 0.000 0.900 362 Q HN 0.683 nan 8.270 nan 0.000 0.436 363 D N 2.018 122.390 120.400 -0.047 0.000 2.087 363 D HA -0.117 4.523 4.640 -0.000 0.000 0.218 363 D C 0.593 176.858 176.300 -0.058 0.000 0.982 363 D CA 0.982 54.953 54.000 -0.048 0.000 0.900 363 D CB -0.363 40.399 40.800 -0.063 0.000 1.072 363 D HN 0.134 nan 8.370 nan 0.000 0.459 364 R N 1.952 122.409 120.500 -0.071 0.000 2.466 364 R HA -0.107 4.233 4.340 -0.000 0.000 0.280 364 R C -0.307 175.943 176.300 -0.085 0.000 0.926 364 R CA 0.337 56.387 56.100 -0.084 0.000 1.127 364 R CB -0.386 29.858 30.300 -0.094 0.000 0.871 364 R HN -0.047 nan 8.270 nan 0.000 0.421 365 N N 3.033 121.675 118.700 -0.098 0.000 2.500 365 N HA 0.095 4.835 4.740 -0.000 0.000 0.236 365 N C -0.196 175.259 175.510 -0.093 0.000 1.022 365 N CA -0.066 52.909 53.050 -0.125 0.000 0.935 365 N CB 1.204 39.606 38.487 -0.141 0.000 1.147 365 N HN 0.723 nan 8.380 nan 0.000 0.512 366 T N 2.676 117.184 114.554 -0.076 0.000 2.472 366 T HA -0.196 4.154 4.350 -0.000 0.000 0.249 366 T C 1.109 175.771 174.700 -0.063 0.000 1.205 366 T CA 1.520 63.612 62.100 -0.014 0.000 1.268 366 T CB -0.213 68.614 68.868 -0.069 0.000 0.872 366 T HN 0.563 nan 8.240 nan 0.000 0.393 367 E N 1.209 121.253 120.200 -0.260 0.000 2.370 367 E HA -0.158 4.192 4.350 -0.000 0.000 0.205 367 E C 1.722 178.258 176.600 -0.106 0.000 1.037 367 E CA 0.551 56.782 56.400 -0.282 0.000 0.845 367 E CB -0.486 28.879 29.700 -0.559 0.000 0.753 367 E HN 0.197 nan 8.360 nan 0.000 0.507 368 L N -0.078 121.094 121.223 -0.085 0.000 2.270 368 L HA 0.093 4.433 4.340 -0.000 0.000 0.210 368 L C 1.979 178.855 176.870 0.010 0.000 1.104 368 L CA 1.232 56.049 54.840 -0.038 0.000 0.804 368 L CB -0.529 41.495 42.059 -0.059 0.000 0.937 368 L HN 0.101 nan 8.230 nan 0.000 0.450 369 S N -1.894 113.812 115.700 0.010 0.000 2.537 369 S HA -0.209 4.261 4.470 -0.000 0.000 0.240 369 S C 1.882 176.508 174.600 0.043 0.000 0.981 369 S CA 0.634 58.835 58.200 0.003 0.000 0.948 369 S CB -0.388 62.830 63.200 0.030 0.000 0.759 369 S HN 0.535 nan 8.310 nan 0.000 0.531 370 Y N 2.397 122.657 120.300 -0.066 0.000 2.060 370 Y HA -0.210 4.340 4.550 -0.000 0.000 0.276 370 Y C 2.418 178.274 175.900 -0.073 0.000 1.127 370 Y CA 2.226 60.277 58.100 -0.081 0.000 1.104 370 Y CB -0.566 37.822 38.460 -0.120 0.000 0.983 370 Y HN 0.310 nan 8.280 nan 0.000 0.483 371 Q N 0.592 120.497 119.800 0.175 0.000 1.554 371 Q HA -0.295 4.045 4.340 -0.000 0.000 0.499 371 Q C 2.147 178.173 176.000 0.043 0.000 1.014 371 Q CA 2.207 58.091 55.803 0.135 0.000 0.872 371 Q CB -1.541 27.352 28.738 0.259 0.000 0.949 371 Q HN 0.731 nan 8.270 nan 0.000 0.377 372 L N -1.287 120.028 121.223 0.153 0.000 4.947 372 L HA -0.341 3.999 4.340 -0.000 0.000 0.453 372 L C 1.560 178.509 176.870 0.133 0.000 0.993 372 L CA 1.836 56.743 54.840 0.112 0.000 0.831 372 L CB -1.678 40.361 42.059 -0.033 0.000 1.437 372 L HN 0.457 nan 8.230 nan 0.000 1.039 373 L N -5.424 115.735 121.223 -0.107 0.000 3.610 373 L HA 0.516 4.856 4.340 -0.000 0.000 0.178 373 L C 1.707 178.325 176.870 -0.419 0.000 1.158 373 L CA 0.013 54.750 54.840 -0.171 0.000 0.852 373 L CB -0.521 41.486 42.059 -0.088 0.000 1.595 373 L HN -0.087 nan 8.230 nan 0.000 0.621 374 L N 0.167 121.192 121.223 -0.330 0.000 3.445 374 L HA -0.434 3.906 4.340 -0.000 0.000 0.349 374 L C 1.710 178.431 176.870 -0.247 0.000 4.406 374 L CA 2.110 56.761 54.840 -0.314 0.000 0.588 374 L CB -1.987 39.816 42.059 -0.426 0.000 3.515 374 L HN 0.803 nan 8.230 nan 0.000 0.667 375 D N -0.416 119.802 120.400 -0.305 0.000 2.346 375 D HA 0.021 4.661 4.640 -0.000 0.000 0.206 375 D C 1.603 177.854 176.300 -0.083 0.000 1.001 375 D CA 0.864 54.776 54.000 -0.148 0.000 0.871 375 D CB 0.225 40.968 40.800 -0.095 0.000 0.943 375 D HN 0.455 nan 8.370 nan 0.000 0.518 376 S N 0.096 115.728 115.700 -0.115 0.000 2.461 376 S HA 0.088 4.558 4.470 -0.000 0.000 0.228 376 S C 0.953 175.534 174.600 -0.031 0.000 1.005 376 S CA 0.287 58.466 58.200 -0.035 0.000 0.942 376 S CB 0.220 63.404 63.200 -0.027 0.000 0.776 376 S HN 0.384 nan 8.310 nan 0.000 0.514 377 I N 1.149 121.676 120.570 -0.070 0.000 3.083 377 I HA 0.439 4.609 4.170 -0.000 0.000 0.336 377 I C 0.368 176.448 176.117 -0.061 0.000 1.497 377 I CA -0.154 61.109 61.300 -0.061 0.000 0.936 377 I CB -0.258 37.693 38.000 -0.082 0.000 1.671 377 I HN 0.161 nan 8.210 nan 0.000 0.535 378 G N 0.964 109.734 108.800 -0.049 0.000 2.026 378 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.208 378 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.208 378 G C -0.826 174.046 174.900 -0.047 0.000 1.640 378 G CA -0.838 44.235 45.100 -0.045 0.000 0.946 378 G HN 0.086 nan 8.290 nan 0.000 0.709 379 D N -0.050 120.328 120.400 -0.036 0.000 2.405 379 D HA 0.030 4.670 4.640 -0.000 0.000 0.232 379 D C 1.370 177.625 176.300 -0.075 0.000 1.240 379 D CA 0.167 54.142 54.000 -0.043 0.000 0.881 379 D CB 0.789 41.563 40.800 -0.044 0.000 1.222 379 D HN 0.361 nan 8.370 nan 0.000 0.482 380 R N -0.466 119.985 120.500 -0.082 0.000 2.307 380 R HA 0.118 4.458 4.340 -0.000 0.000 0.200 380 R C 1.396 177.581 176.300 -0.192 0.000 0.893 380 R CA 0.373 56.408 56.100 -0.107 0.000 1.042 380 R CB -0.016 30.250 30.300 -0.056 0.000 1.059 380 R HN 0.345 nan 8.270 nan 0.000 0.530 381 T N 0.964 115.382 114.554 -0.227 0.000 3.400 381 T HA 0.087 4.437 4.350 -0.000 0.000 0.254 381 T C 0.303 174.555 174.700 -0.746 0.000 1.153 381 T CA 0.273 62.146 62.100 -0.378 0.000 1.012 381 T CB -0.182 68.536 68.868 -0.250 0.000 0.994 381 T HN -0.216 nan 8.240 nan 0.000 0.555 382 R N 2.263 122.472 120.500 -0.485 0.000 2.593 382 R HA 0.311 4.651 4.340 -0.000 0.000 0.282 382 R C -0.078 176.054 176.300 -0.280 0.000 1.300 382 R CA -0.799 55.064 56.100 -0.395 0.000 1.221 382 R CB -0.831 29.379 30.300 -0.151 0.000 1.157 382 R HN 0.488 nan 8.270 nan 0.000 0.555 383 Y N 1.440 121.694 120.300 -0.077 0.000 2.495 383 Y HA 0.204 4.754 4.550 -0.000 0.000 0.463 383 Y C 0.686 176.608 175.900 0.037 0.000 1.293 383 Y CA -0.040 57.953 58.100 -0.179 0.000 2.053 383 Y CB 0.124 38.428 38.460 -0.260 0.000 1.725 383 Y HN 0.349 nan 8.280 nan 0.000 0.719 384 F N -2.304 117.648 119.950 0.003 0.000 2.799 384 F HA 0.387 4.914 4.527 -0.000 0.000 0.316 384 F C -0.429 175.356 175.800 -0.024 0.000 1.155 384 F CA -0.695 57.300 58.000 -0.009 0.000 0.916 384 F CB 0.684 39.682 39.000 -0.002 0.000 1.294 384 F HN 0.449 nan 8.300 nan 0.000 0.447 385 S N 2.835 117.443 115.700 -1.819 0.000 3.375 385 S HA 0.241 4.711 4.470 -0.000 0.000 0.178 385 S C 1.261 175.127 174.600 -1.224 0.000 0.868 385 S CA 0.082 57.552 58.200 -1.216 0.000 1.129 385 S CB -0.386 62.319 63.200 -0.825 0.000 1.035 385 S HN 0.724 nan 8.310 nan 0.000 0.840 386 M N 1.326 120.214 119.600 -1.186 0.000 7.826 386 M HA -0.267 4.213 4.480 -0.000 0.000 0.370 386 M C 1.808 177.723 176.300 -0.641 0.000 0.789 386 M CA 2.718 57.518 55.300 -0.833 0.000 1.031 386 M CB -1.185 30.777 32.600 -1.063 0.000 1.150 386 M HN 0.763 nan 8.290 nan 0.000 1.118 387 W N -0.179 121.001 121.300 -0.200 0.000 2.233 387 W HA -0.086 4.574 4.660 -0.000 0.000 0.321 387 W C 1.083 177.127 176.519 -0.791 0.000 1.187 387 W CA 1.584 58.448 57.345 -0.801 0.000 1.172 387 W CB -0.865 28.377 29.460 -0.363 0.000 1.186 387 W HN 0.597 nan 8.180 nan 0.000 0.456 388 N N -1.097 117.904 118.700 0.502 0.000 2.971 388 N HA -0.092 4.648 4.740 -0.000 0.000 0.193 388 N C 0.673 176.437 175.510 0.424 0.000 1.259 388 N CA -0.090 53.193 53.050 0.389 0.000 1.656 388 N CB -0.080 38.586 38.487 0.298 0.000 1.566 388 N HN 0.295 nan 8.380 nan 0.000 0.631 389 Q N 1.437 121.489 119.800 0.420 0.000 1.638 389 Q HA 0.239 4.579 4.340 -0.000 0.000 0.436 389 Q C 0.070 176.148 176.000 0.130 0.000 0.941 389 Q CA 1.759 57.532 55.803 -0.050 0.000 0.899 389 Q CB -0.036 28.228 28.738 -0.791 0.000 0.930 389 Q HN 0.320 nan 8.270 nan 0.000 0.401 390 A N -0.452 122.479 122.820 0.184 0.000 2.439 390 A HA -0.184 4.136 4.320 -0.000 0.000 0.686 390 A C -0.280 177.316 177.584 0.020 0.000 0.142 390 A CA 0.568 52.672 52.037 0.111 0.000 0.040 390 A CB -1.229 17.850 19.000 0.132 0.000 3.973 390 A HN 0.580 nan 8.150 nan 0.000 0.548 391 V N 3.095 122.976 119.914 -0.055 0.000 2.322 391 V HA 0.396 4.516 4.120 -0.000 0.000 0.258 391 V C 0.020 176.093 176.094 -0.036 0.000 1.074 391 V CA 0.137 62.408 62.300 -0.048 0.000 0.909 391 V CB 0.067 31.831 31.823 -0.099 0.000 1.090 391 V HN 0.783 nan 8.190 nan 0.000 0.486 392 D N 5.337 125.741 120.400 0.007 0.000 2.429 392 D HA 0.124 4.764 4.640 -0.000 0.000 0.253 392 D C 0.813 177.019 176.300 -0.156 0.000 1.294 392 D CA 0.409 54.396 54.000 -0.021 0.000 1.063 392 D CB 0.432 41.259 40.800 0.045 0.000 1.096 392 D HN 0.509 nan 8.370 nan 0.000 0.516 393 S N 1.788 117.420 115.700 -0.114 0.000 2.816 393 S HA 0.123 4.593 4.470 -0.000 0.000 0.250 393 S C -0.291 174.185 174.600 -0.206 0.000 1.422 393 S CA 0.131 58.255 58.200 -0.127 0.000 0.976 393 S CB 0.146 63.321 63.200 -0.042 0.000 0.939 393 S HN 0.635 nan 8.310 nan 0.000 0.567 394 Y N 0.071 120.211 120.300 -0.267 0.000 1.856 394 Y HA 0.116 4.666 4.550 -0.000 0.000 0.307 394 Y C -1.151 174.669 175.900 -0.132 0.000 1.171 394 Y CA -0.822 57.126 58.100 -0.254 0.000 1.822 394 Y CB -0.996 37.220 38.460 -0.407 0.000 1.243 394 Y HN 0.608 nan 8.280 nan 0.000 0.374 395 D N 7.784 127.934 120.400 -0.417 0.000 2.777 395 D HA -0.058 4.582 4.640 -0.000 0.000 0.218 395 D C -1.300 174.634 176.300 -0.610 0.000 1.153 395 D CA 0.569 54.334 54.000 -0.392 0.000 0.846 395 D CB 1.043 41.710 40.800 -0.222 0.000 1.209 395 D HN 0.438 nan 8.370 nan 0.000 0.517 396 P HA -0.142 nan 4.420 nan 0.000 0.212 396 P C 0.132 177.281 177.300 -0.251 0.000 1.180 396 P CA 1.310 64.245 63.100 -0.275 0.000 0.906 396 P CB 0.030 31.663 31.700 -0.112 0.000 0.782 397 D N -0.680 119.648 120.400 -0.120 0.000 2.368 397 D HA 0.007 4.647 4.640 -0.000 0.000 0.250 397 D C 1.447 177.686 176.300 -0.102 0.000 1.142 397 D CA 0.118 54.091 54.000 -0.045 0.000 0.925 397 D CB -0.561 40.281 40.800 0.069 0.000 0.896 397 D HN 0.008 nan 8.370 nan 0.000 0.525 398 V N 0.106 119.896 119.914 -0.207 0.000 2.418 398 V HA -0.109 4.011 4.120 -0.000 0.000 0.208 398 V C 2.265 178.423 176.094 0.107 0.000 1.093 398 V CA 0.539 62.784 62.300 -0.091 0.000 1.139 398 V CB -0.116 31.618 31.823 -0.148 0.000 0.720 398 V HN 0.017 nan 8.190 nan 0.000 0.483 399 R N 0.007 120.793 120.500 0.478 0.000 2.264 399 R HA -0.183 4.157 4.340 -0.000 0.000 0.223 399 R C 1.062 177.424 176.300 0.104 0.000 1.090 399 R CA 1.927 58.193 56.100 0.276 0.000 0.857 399 R CB -1.351 29.068 30.300 0.198 0.000 0.835 399 R HN 0.448 nan 8.270 nan 0.000 0.428 400 I N -0.568 120.057 120.570 0.091 0.000 2.751 400 I HA 0.044 4.214 4.170 -0.000 0.000 0.187 400 I C 0.453 176.604 176.117 0.057 0.000 1.359 400 I CA 0.440 61.753 61.300 0.020 0.000 0.651 400 I CB -0.211 37.776 38.000 -0.023 0.000 1.814 400 I HN 0.242 nan 8.210 nan 0.000 1.039 401 I N -0.849 119.775 120.570 0.091 0.000 2.540 401 I HA 0.325 4.495 4.170 -0.000 0.000 0.280 401 I C -0.429 175.788 176.117 0.167 0.000 1.083 401 I CA -0.346 61.021 61.300 0.111 0.000 1.080 401 I CB 1.092 39.171 38.000 0.132 0.000 1.205 401 I HN 0.384 nan 8.210 nan 0.000 0.459 402 E N 4.049 124.352 120.200 0.172 0.000 2.222 402 E HA 0.043 4.393 4.350 -0.000 0.000 0.312 402 E C 0.627 177.460 176.600 0.387 0.000 1.263 402 E CA -0.124 56.420 56.400 0.241 0.000 1.356 402 E CB 0.009 29.851 29.700 0.235 0.000 1.180 402 E HN 0.463 nan 8.360 nan 0.000 0.494 403 N N 1.847 120.760 118.700 0.355 0.000 2.738 403 N HA -0.166 4.574 4.740 -0.000 0.000 0.220 403 N C 0.917 176.574 175.510 0.245 0.000 1.546 403 N CA 0.284 53.603 53.050 0.449 0.000 0.924 403 N CB -0.245 38.425 38.487 0.304 0.000 1.271 403 N HN 0.590 nan 8.380 nan 0.000 0.504 404 H N -0.873 118.308 119.070 0.185 0.000 2.561 404 H HA -0.025 4.531 4.556 -0.000 0.000 0.289 404 H C 0.877 176.057 175.328 -0.245 0.000 1.054 404 H CA 0.632 56.672 56.048 -0.013 0.000 1.210 404 H CB -0.454 29.318 29.762 0.017 0.000 1.353 404 H HN 0.260 nan 8.280 nan 0.000 0.601 405 G N 0.743 109.140 108.800 -0.672 0.000 2.915 405 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.337 405 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.337 405 G C -0.482 173.512 174.900 -1.510 0.000 1.477 405 G CA 0.019 44.532 45.100 -0.980 0.000 0.916 405 G HN 0.662 nan 8.290 nan 0.000 0.550 406 T N -0.799 113.029 114.554 -1.210 0.000 2.797 406 T HA 0.563 4.913 4.350 -0.000 0.000 0.279 406 T C 0.261 174.764 174.700 -0.329 0.000 0.991 406 T CA -0.549 61.082 62.100 -0.781 0.000 0.979 406 T CB 2.116 70.655 68.868 -0.549 0.000 0.943 406 T HN 0.588 nan 8.240 nan 0.000 0.444 407 E N 2.503 122.611 120.200 -0.153 0.000 3.057 407 E HA 0.017 4.367 4.350 -0.000 0.000 0.314 407 E C 0.922 177.484 176.600 -0.063 0.000 1.433 407 E CA -0.057 56.300 56.400 -0.072 0.000 1.546 407 E CB -0.171 29.522 29.700 -0.010 0.000 1.224 407 E HN 0.653 nan 8.360 nan 0.000 0.483 408 D N -0.075 120.273 120.400 -0.087 0.000 2.628 408 D HA -0.033 4.607 4.640 -0.000 0.000 0.258 408 D C 0.723 176.989 176.300 -0.057 0.000 1.165 408 D CA 0.505 54.467 54.000 -0.064 0.000 0.991 408 D CB -0.220 40.539 40.800 -0.069 0.000 1.104 408 D HN 0.163 nan 8.370 nan 0.000 0.438 409 E N 0.221 120.384 120.200 -0.062 0.000 3.247 409 E HA -0.280 4.070 4.350 -0.000 0.000 0.424 409 E C 0.321 176.891 176.600 -0.050 0.000 1.544 409 E CA 1.792 58.162 56.400 -0.050 0.000 1.208 409 E CB -1.872 27.802 29.700 -0.043 0.000 1.473 409 E HN 0.459 nan 8.360 nan 0.000 0.472 410 L N 1.135 122.332 121.223 -0.043 0.000 3.369 410 L HA -0.099 4.241 4.340 -0.000 0.000 0.446 410 L C -1.941 174.882 176.870 -0.078 0.000 1.289 410 L CA -0.185 54.627 54.840 -0.046 0.000 0.751 410 L CB -1.175 40.865 42.059 -0.033 0.000 0.894 410 L HN 0.282 nan 8.230 nan 0.000 0.789 411 P HA 0.285 nan 4.420 nan 0.000 0.290 411 P C -1.526 175.631 177.300 -0.238 0.000 1.276 411 P CA -0.514 62.455 63.100 -0.218 0.000 0.808 411 P CB 0.747 32.293 31.700 -0.256 0.000 0.966 412 N N 2.290 120.806 118.700 -0.308 0.000 2.479 412 N HA 0.311 5.051 4.740 -0.000 0.000 0.261 412 N C -0.903 174.441 175.510 -0.276 0.000 0.979 412 N CA -0.469 52.461 53.050 -0.201 0.000 0.930 412 N CB 0.624 39.038 38.487 -0.121 0.000 1.172 412 N HN 0.320 nan 8.380 nan 0.000 0.499 413 Y N 0.426 120.758 120.300 0.053 0.000 2.403 413 Y HA 0.561 5.111 4.550 -0.000 0.000 0.323 413 Y C 0.113 176.045 175.900 0.053 0.000 1.226 413 Y CA -1.554 56.588 58.100 0.070 0.000 1.235 413 Y CB 1.370 40.036 38.460 0.343 0.000 1.248 413 Y HN 0.411 nan 8.280 nan 0.000 0.489 414 C N 4.070 123.470 119.300 0.168 0.000 2.383 414 C HA 0.657 5.117 4.460 -0.000 0.000 0.330 414 C C -1.705 173.076 174.990 -0.348 0.000 1.168 414 C CA -0.909 58.097 59.018 -0.021 0.000 1.374 414 C CB -1.818 25.873 27.740 -0.081 0.000 2.014 414 C HN 0.560 nan 8.230 nan 0.000 0.439 415 F N 6.151 125.948 119.950 -0.255 0.000 2.500 415 F HA 0.475 5.002 4.527 -0.000 0.000 0.349 415 F C -1.191 174.425 175.800 -0.308 0.000 1.127 415 F CA -1.761 55.992 58.000 -0.411 0.000 0.998 415 F CB 0.342 39.148 39.000 -0.324 0.000 1.237 415 F HN 0.479 nan 8.300 nan 0.000 0.439 416 P HA -0.185 nan 4.420 nan 0.000 0.284 416 P C 0.674 177.865 177.300 -0.181 0.000 1.592 416 P CA 0.233 63.264 63.100 -0.115 0.000 1.265 416 P CB 0.432 32.121 31.700 -0.019 0.000 0.876 417 L N -2.816 118.257 121.223 -0.250 0.000 2.675 417 L HA 0.400 4.740 4.340 -0.000 0.000 0.239 417 L C 1.234 177.577 176.870 -0.878 0.000 1.151 417 L CA 1.049 55.631 54.840 -0.430 0.000 0.905 417 L CB -1.350 40.486 42.059 -0.371 0.000 1.057 417 L HN 0.527 nan 8.230 nan 0.000 0.435 418 G N -1.494 106.875 108.800 -0.717 0.000 2.927 418 G HA2 0.504 4.464 3.960 -0.000 0.000 0.111 418 G HA3 0.504 4.464 3.960 -0.000 0.000 0.111 418 G C -0.112 174.651 174.900 -0.229 0.000 1.198 418 G CA 0.099 44.647 45.100 -0.921 0.000 1.382 418 G HN 0.287 nan 8.290 nan 0.000 0.663 419 G N -1.160 107.677 108.800 0.062 0.000 3.259 419 G HA2 0.677 4.637 3.960 -0.000 0.000 0.193 419 G HA3 0.677 4.637 3.960 -0.000 0.000 0.193 419 G C -1.010 174.097 174.900 0.344 0.000 1.457 419 G CA 0.681 45.927 45.100 0.244 0.000 0.771 419 G HN 1.603 nan 8.290 nan 0.000 0.765 420 V N -0.843 119.226 119.914 0.258 0.000 3.203 420 V HA 0.663 4.783 4.120 -0.000 0.000 0.305 420 V C -1.138 175.009 176.094 0.089 0.000 1.361 420 V CA -0.676 61.705 62.300 0.135 0.000 1.066 420 V CB 2.124 33.965 31.823 0.029 0.000 1.085 420 V HN 0.580 nan 8.190 nan 0.000 0.456 421 I N 1.870 122.451 120.570 0.019 0.000 3.491 421 I HA 0.424 4.594 4.170 -0.000 0.000 0.332 421 I C 0.384 176.494 176.117 -0.012 0.000 1.565 421 I CA 0.082 61.391 61.300 0.015 0.000 1.050 421 I CB 0.050 38.060 38.000 0.017 0.000 1.348 421 I HN 0.560 nan 8.210 nan 0.000 0.506 422 N N 1.863 120.551 118.700 -0.019 0.000 2.455 422 N HA 0.117 4.857 4.740 -0.000 0.000 0.258 422 N C 0.013 175.517 175.510 -0.011 0.000 1.158 422 N CA 0.066 53.101 53.050 -0.025 0.000 0.893 422 N CB 0.427 38.890 38.487 -0.041 0.000 1.173 422 N HN 0.369 nan 8.380 nan 0.000 0.503 423 T N -1.068 113.484 114.554 -0.003 0.000 2.910 423 T HA 0.329 4.679 4.350 -0.000 0.000 0.293 423 T C 0.152 174.848 174.700 -0.006 0.000 1.015 423 T CA -0.693 61.406 62.100 -0.001 0.000 1.094 423 T CB 1.669 70.541 68.868 0.006 0.000 0.968 423 T HN 0.239 nan 8.240 nan 0.000 0.521 424 E N 0.579 120.774 120.200 -0.007 0.000 2.224 424 E HA 0.321 4.671 4.350 -0.000 0.000 0.265 424 E C -0.971 175.622 176.600 -0.013 0.000 0.878 424 E CA -1.020 55.373 56.400 -0.011 0.000 0.759 424 E CB 1.155 30.847 29.700 -0.013 0.000 1.164 424 E HN 0.422 nan 8.360 nan 0.000 0.414 425 T N 4.386 118.932 114.554 -0.013 0.000 2.866 425 T HA -0.020 4.330 4.350 -0.000 0.000 0.241 425 T C 0.079 174.768 174.700 -0.019 0.000 1.018 425 T CA 0.357 62.449 62.100 -0.014 0.000 1.368 425 T CB -0.429 68.430 68.868 -0.014 0.000 1.025 425 T HN 0.392 nan 8.240 nan 0.000 0.575 426 L N 5.334 126.545 121.223 -0.020 0.000 2.397 426 L HA 0.160 4.500 4.340 -0.000 0.000 0.263 426 L C 1.243 178.095 176.870 -0.030 0.000 1.136 426 L CA -0.473 54.350 54.840 -0.028 0.000 1.019 426 L CB -0.222 41.820 42.059 -0.028 0.000 1.352 426 L HN 0.658 nan 8.230 nan 0.000 0.420 427 T N 0.941 115.477 114.554 -0.031 0.000 2.623 427 T HA -0.076 4.274 4.350 -0.000 0.000 0.359 427 T C 0.592 175.272 174.700 -0.033 0.000 1.077 427 T CA -0.021 62.062 62.100 -0.027 0.000 1.075 427 T CB 0.454 69.304 68.868 -0.030 0.000 0.999 427 T HN 0.506 nan 8.240 nan 0.000 0.548 428 K N -0.799 119.590 120.400 -0.019 0.000 2.399 428 K HA 0.836 5.156 4.320 -0.000 0.000 0.247 428 K C -0.544 176.032 176.600 -0.040 0.000 1.036 428 K CA -1.046 55.231 56.287 -0.016 0.000 0.977 428 K CB 0.766 33.282 32.500 0.027 0.000 1.272 428 K HN 0.362 nan 8.250 nan 0.000 0.501 429 V N -0.665 119.233 119.914 -0.026 0.000 3.312 429 V HA 0.301 4.421 4.120 -0.000 0.000 0.281 429 V C -2.071 174.026 176.094 0.004 0.000 1.716 429 V CA -0.834 61.440 62.300 -0.043 0.000 1.040 429 V CB 2.491 34.228 31.823 -0.143 0.000 1.214 429 V HN 1.081 nan 8.190 nan 0.000 0.479 440 E N 0.650 120.863 120.200 0.023 0.000 2.505 440 E HA 0.179 4.529 4.350 -0.000 0.000 0.212 440 E C -0.005 176.582 176.600 -0.022 0.000 0.825 440 E CA 0.836 57.240 56.400 0.007 0.000 1.333 440 E CB 0.770 30.519 29.700 0.082 0.000 1.319 440 E HN -0.239 nan 8.360 nan 0.000 0.658 441 K N 1.442 121.837 120.400 -0.008 0.000 2.246 441 K HA 0.027 4.347 4.320 -0.000 0.000 0.374 441 K C -2.101 174.509 176.600 0.016 0.000 1.520 441 K CA -0.244 56.039 56.287 -0.007 0.000 1.192 441 K CB 0.659 33.157 32.500 -0.005 0.000 1.412 441 K HN 0.132 nan 8.250 nan 0.000 0.470 442 D N 1.658 122.074 120.400 0.026 0.000 2.341 442 D HA 0.558 5.198 4.640 -0.000 0.000 0.245 442 D C -0.132 176.207 176.300 0.064 0.000 1.106 442 D CA -0.000 54.038 54.000 0.063 0.000 0.905 442 D CB 1.189 42.043 40.800 0.089 0.000 1.202 442 D HN 0.527 nan 8.370 nan 0.000 0.426 447 S N 0.422 116.249 115.700 0.211 0.000 2.536 447 S HA 0.422 4.892 4.470 -0.000 0.000 0.287 447 S C -0.548 174.088 174.600 0.059 0.000 1.101 447 S CA -0.694 57.571 58.200 0.109 0.000 0.950 447 S CB 2.433 65.693 63.200 0.100 0.000 1.056 447 S HN 0.217 nan 8.310 nan 0.000 0.481 448 D N 0.821 121.240 120.400 0.032 0.000 2.197 448 D HA 0.004 4.644 4.640 -0.000 0.000 0.212 448 D C 0.074 176.379 176.300 0.008 0.000 0.963 448 D CA 0.801 54.809 54.000 0.013 0.000 0.864 448 D CB 0.179 40.982 40.800 0.004 0.000 1.009 448 D HN 0.418 nan 8.370 nan 0.000 0.479 449 K N 2.662 123.067 120.400 0.009 0.000 2.502 449 K HA 0.142 4.462 4.320 -0.000 0.000 0.244 449 K C -0.107 176.495 176.600 0.004 0.000 1.249 449 K CA -0.092 56.196 56.287 0.003 0.000 1.193 449 K CB -0.511 31.989 32.500 -0.000 0.000 1.674 449 K HN 0.018 nan 8.250 nan 0.000 0.302 450 N N 1.765 120.466 118.700 0.002 0.000 2.597 450 N HA -0.024 4.716 4.740 -0.000 0.000 0.269 450 N C -0.092 175.415 175.510 -0.006 0.000 1.204 450 N CA -0.016 53.033 53.050 -0.001 0.000 0.947 450 N CB 0.119 38.604 38.487 -0.004 0.000 1.258 450 N HN 0.422 nan 8.380 nan 0.000 0.508 451 E N 1.084 121.281 120.200 -0.005 0.000 3.288 451 E HA -0.115 4.235 4.350 -0.000 0.000 0.237 451 E C -0.092 176.507 176.600 -0.002 0.000 0.958 451 E CA 0.626 57.023 56.400 -0.005 0.000 0.947 451 E CB 0.116 29.814 29.700 -0.004 0.000 0.896 451 E HN 0.364 nan 8.360 nan 0.000 0.566 452 I N 2.825 123.392 120.570 -0.004 0.000 2.863 452 I HA 0.497 4.667 4.170 -0.000 0.000 0.311 452 I C 0.172 176.290 176.117 0.002 0.000 1.026 452 I CA -1.168 60.132 61.300 -0.001 0.000 1.077 452 I CB 1.836 39.832 38.000 -0.007 0.000 1.262 452 I HN 0.339 nan 8.210 nan 0.000 0.461 453 R N 1.954 122.459 120.500 0.008 0.000 2.787 453 R HA 0.609 4.949 4.340 -0.000 0.000 0.271 453 R C -1.191 175.114 176.300 0.008 0.000 0.993 453 R CA -0.565 55.541 56.100 0.009 0.000 0.993 453 R CB 1.765 32.078 30.300 0.022 0.000 1.155 453 R HN 0.488 nan 8.270 nan 0.000 0.486 454 V N 1.898 121.815 119.914 0.004 0.000 2.125 454 V HA 0.719 4.839 4.120 -0.000 0.000 0.263 454 V C 0.555 176.654 176.094 0.009 0.000 1.365 454 V CA 0.200 62.502 62.300 0.003 0.000 1.276 454 V CB -0.852 30.969 31.823 -0.003 0.000 1.350 454 V HN 1.043 nan 8.190 nan 0.000 0.487 455 G N 2.704 111.513 108.800 0.016 0.000 2.331 455 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.402 455 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.402 455 G C -1.158 173.763 174.900 0.035 0.000 1.275 455 G CA -0.491 44.622 45.100 0.022 0.000 1.003 455 G HN 0.817 nan 8.290 nan 0.000 0.500 456 N N 0.498 119.223 118.700 0.042 0.000 2.437 456 N HA 0.396 5.136 4.740 -0.000 0.000 0.259 456 N C 0.958 176.525 175.510 0.094 0.000 0.983 456 N CA 0.284 53.369 53.050 0.059 0.000 0.937 456 N CB 0.608 39.122 38.487 0.045 0.000 1.122 456 N HN 0.982 nan 8.380 nan 0.000 0.499 457 N N 2.127 120.908 118.700 0.134 0.000 1.097 457 N HA -0.332 4.408 4.740 -0.000 0.000 0.121 457 N C -0.679 175.020 175.510 0.314 0.000 0.565 457 N CA 2.342 55.533 53.050 0.236 0.000 0.824 457 N CB -0.091 38.530 38.487 0.223 0.000 1.291 457 N HN 0.500 nan 8.380 nan 0.000 0.707 458 F N -3.020 116.892 119.950 -0.063 0.000 3.031 458 F HA 0.664 5.191 4.527 -0.000 0.000 0.326 458 F C -1.938 173.565 175.800 -0.494 0.000 1.143 458 F CA -0.374 57.508 58.000 -0.197 0.000 0.871 458 F CB 0.616 39.544 39.000 -0.120 0.000 1.377 458 F HN 0.585 nan 8.300 nan 0.000 0.462 459 A N 1.512 123.943 122.820 -0.648 0.000 2.594 459 A HA 0.657 4.977 4.320 -0.000 0.000 0.296 459 A C -1.706 175.691 177.584 -0.312 0.000 1.056 459 A CA -0.711 50.781 52.037 -0.908 0.000 0.693 459 A CB 1.697 19.909 19.000 -1.314 0.000 1.278 459 A HN 0.896 nan 8.150 nan 0.000 0.408 460 M N 2.552 122.003 119.600 -0.248 0.000 2.986 460 M HA 0.188 4.668 4.480 -0.000 0.000 0.241 460 M C 0.333 176.593 176.300 -0.066 0.000 1.191 460 M CA -0.046 55.205 55.300 -0.083 0.000 1.143 460 M CB 0.087 32.660 32.600 -0.046 0.000 1.242 460 M HN 0.904 nan 8.290 nan 0.000 0.543 461 E N 1.792 121.979 120.200 -0.022 0.000 2.442 461 E HA 0.231 4.581 4.350 -0.000 0.000 0.260 461 E C -0.965 175.566 176.600 -0.115 0.000 1.148 461 E CA 0.562 56.918 56.400 -0.073 0.000 0.976 461 E CB 1.239 30.850 29.700 -0.148 0.000 0.967 461 E HN 0.596 nan 8.360 nan 0.000 0.454 462 I N 1.263 121.749 120.570 -0.140 0.000 3.021 462 I HA 0.206 4.376 4.170 -0.000 0.000 0.305 462 I C -1.772 174.277 176.117 -0.114 0.000 1.434 462 I CA -0.703 60.522 61.300 -0.125 0.000 0.969 462 I CB 2.300 40.241 38.000 -0.099 0.000 1.328 462 I HN 0.479 nan 8.210 nan 0.000 0.486 463 N N 2.970 121.617 118.700 -0.089 0.000 2.372 463 N HA 0.617 5.357 4.740 -0.000 0.000 0.291 463 N C -0.236 175.247 175.510 -0.044 0.000 1.024 463 N CA -0.477 52.535 53.050 -0.063 0.000 0.873 463 N CB 1.578 40.042 38.487 -0.038 0.000 1.206 463 N HN 0.501 nan 8.380 nan 0.000 0.486 464 L N 1.840 123.040 121.223 -0.038 0.000 2.515 464 L HA 0.377 4.717 4.340 -0.000 0.000 0.202 464 L C 0.450 177.308 176.870 -0.020 0.000 1.056 464 L CA 0.196 55.022 54.840 -0.024 0.000 0.847 464 L CB -0.314 41.734 42.059 -0.019 0.000 1.131 464 L HN 0.506 nan 8.230 nan 0.000 0.484 465 N N 1.426 120.112 118.700 -0.023 0.000 3.193 465 N HA 0.355 5.095 4.740 -0.000 0.000 0.312 465 N C 0.431 175.937 175.510 -0.007 0.000 1.261 465 N CA 0.606 53.643 53.050 -0.021 0.000 1.208 465 N CB 0.335 38.802 38.487 -0.034 0.000 1.471 465 N HN 0.439 nan 8.380 nan 0.000 0.548 466 A N 0.015 122.849 122.820 0.023 0.000 2.552 466 A HA 0.075 4.395 4.320 -0.000 0.000 0.177 466 A C 0.968 178.589 177.584 0.062 0.000 1.677 466 A CA -0.317 51.763 52.037 0.073 0.000 1.096 466 A CB 0.168 19.192 19.000 0.039 0.000 1.174 466 A HN 0.201 nan 8.150 nan 0.000 0.435 467 N N 0.314 119.019 118.700 0.009 0.000 2.420 467 N HA 0.037 4.777 4.740 -0.000 0.000 0.185 467 N C 1.961 177.424 175.510 -0.079 0.000 1.033 467 N CA 1.117 54.159 53.050 -0.013 0.000 0.879 467 N CB -0.255 38.225 38.487 -0.012 0.000 1.071 467 N HN 0.515 nan 8.380 nan 0.000 0.437 468 L N 0.349 121.479 121.223 -0.155 0.000 1.933 468 L HA -0.145 4.195 4.340 -0.000 0.000 0.220 468 L C 1.697 178.256 176.870 -0.517 0.000 1.078 468 L CA 1.818 56.355 54.840 -0.505 0.000 0.773 468 L CB -1.594 40.263 42.059 -0.337 0.000 0.890 468 L HN 0.372 nan 8.230 nan 0.000 0.434 469 W N 1.583 122.659 121.300 -0.373 0.000 2.547 469 W HA -0.233 4.427 4.660 -0.000 0.000 0.262 469 W C 2.636 179.091 176.519 -0.107 0.000 1.213 469 W CA 1.692 58.902 57.345 -0.224 0.000 1.191 469 W CB 0.061 29.436 29.460 -0.142 0.000 1.142 469 W HN 0.519 nan 8.180 nan 0.000 0.611 470 R N -0.498 119.974 120.500 -0.047 0.000 2.196 470 R HA -0.047 4.293 4.340 -0.000 0.000 0.186 470 R C 1.736 178.097 176.300 0.102 0.000 1.163 470 R CA 0.618 56.738 56.100 0.033 0.000 1.146 470 R CB -0.848 29.486 30.300 0.056 0.000 1.113 470 R HN -0.143 nan 8.270 nan 0.000 0.513 471 N N 1.172 119.933 118.700 0.103 0.000 2.055 471 N HA -0.219 4.521 4.740 -0.000 0.000 0.200 471 N C 1.519 177.276 175.510 0.412 0.000 1.037 471 N CA 2.285 55.488 53.050 0.254 0.000 0.881 471 N CB -0.713 37.944 38.487 0.283 0.000 1.075 471 N HN 0.173 nan 8.380 nan 0.000 0.470 472 F N 0.300 120.310 119.950 0.101 0.000 2.323 472 F HA -0.110 4.417 4.527 -0.000 0.000 0.301 472 F C 1.657 177.502 175.800 0.074 0.000 1.060 472 F CA 0.614 58.663 58.000 0.082 0.000 1.398 472 F CB -0.987 38.017 39.000 0.006 0.000 1.075 472 F HN 0.128 nan 8.300 nan 0.000 0.540 473 L N -3.575 117.795 121.223 0.244 0.000 2.693 473 L HA 0.078 4.418 4.340 -0.000 0.000 0.235 473 L C 1.526 178.519 176.870 0.204 0.000 1.127 473 L CA 0.165 55.098 54.840 0.155 0.000 0.914 473 L CB -0.337 41.748 42.059 0.043 0.000 1.193 473 L HN 0.047 nan 8.230 nan 0.000 0.502 474 Y N 0.895 121.271 120.300 0.128 0.000 2.886 474 Y HA -0.037 4.513 4.550 -0.000 0.000 0.244 474 Y C 2.611 178.582 175.900 0.119 0.000 1.017 474 Y CA 0.856 59.014 58.100 0.098 0.000 1.389 474 Y CB 0.324 38.825 38.460 0.068 0.000 1.477 474 Y HN 0.046 nan 8.280 nan 0.000 0.466 475 S N 0.673 116.641 115.700 0.446 0.000 2.537 475 S HA -0.042 4.428 4.470 -0.000 0.000 0.240 475 S C 0.224 175.028 174.600 0.340 0.000 0.981 475 S CA 0.482 58.889 58.200 0.344 0.000 0.948 475 S CB -0.615 62.767 63.200 0.305 0.000 0.759 475 S HN 0.377 nan 8.310 nan 0.000 0.531 476 N N 0.052 118.960 118.700 0.348 0.000 2.321 476 N HA 0.593 5.333 4.740 -0.000 0.000 0.290 476 N C -0.538 175.164 175.510 0.320 0.000 1.212 476 N CA -0.816 52.506 53.050 0.453 0.000 0.767 476 N CB 1.681 40.417 38.487 0.416 0.000 1.494 476 N HN -0.007 nan 8.380 nan 0.000 0.479 477 I N 0.580 121.428 120.570 0.463 0.000 3.944 477 I HA -0.461 3.709 4.170 -0.000 0.000 0.142 477 I C 1.179 177.337 176.117 0.068 0.000 1.034 477 I CA 1.463 62.968 61.300 0.342 0.000 2.464 477 I CB -1.048 37.015 38.000 0.104 0.000 1.345 477 I HN 0.855 nan 8.210 nan 0.000 0.424 478 A N -1.002 121.799 122.820 -0.031 0.000 2.945 478 A HA -0.162 4.158 4.320 -0.000 0.000 0.263 478 A C 0.950 178.331 177.584 -0.338 0.000 1.293 478 A CA 2.783 54.672 52.037 -0.248 0.000 0.944 478 A CB -2.157 16.546 19.000 -0.496 0.000 1.093 478 A HN 1.907 nan 8.150 nan 0.000 0.786 479 L N -7.479 113.578 121.223 -0.277 0.000 2.824 479 L HA 0.407 4.747 4.340 -0.000 0.000 0.284 479 L C 1.140 177.833 176.870 -0.295 0.000 1.031 479 L CA 0.378 55.004 54.840 -0.357 0.000 1.226 479 L CB -0.340 41.430 42.059 -0.482 0.000 2.283 479 L HN 0.102 nan 8.230 nan 0.000 0.569 480 Y N 2.892 123.155 120.300 -0.063 0.000 2.844 480 Y HA 0.303 4.853 4.550 -0.000 0.000 0.367 480 Y C -0.080 175.811 175.900 -0.015 0.000 1.133 480 Y CA -0.090 57.997 58.100 -0.022 0.000 1.424 480 Y CB -0.941 37.497 38.460 -0.037 0.000 1.503 480 Y HN 0.079 nan 8.280 nan 0.000 0.458 481 L N 0.378 121.612 121.223 0.018 0.000 2.331 481 L HA 0.477 4.817 4.340 -0.000 0.000 0.275 481 L C -1.730 175.132 176.870 -0.013 0.000 1.022 481 L CA -2.754 52.090 54.840 0.007 0.000 0.812 481 L CB 0.518 42.553 42.059 -0.040 0.000 1.257 481 L HN -0.099 nan 8.230 nan 0.000 0.435 482 P HA -0.020 nan 4.420 nan 0.000 0.282 482 P C 0.045 177.322 177.300 -0.038 0.000 1.273 482 P CA -0.054 63.041 63.100 -0.008 0.000 0.809 482 P CB 0.630 32.324 31.700 -0.011 0.000 1.246 483 D N -0.718 119.668 120.400 -0.024 0.000 2.306 483 D HA -0.097 4.543 4.640 -0.000 0.000 0.239 483 D C 1.681 177.953 176.300 -0.045 0.000 1.105 483 D CA 0.874 54.859 54.000 -0.026 0.000 0.950 483 D CB -0.683 40.132 40.800 0.026 0.000 1.036 483 D HN 0.233 nan 8.370 nan 0.000 0.428 484 K N 0.027 120.406 120.400 -0.036 0.000 2.334 484 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 484 K C 1.881 178.446 176.600 -0.059 0.000 1.043 484 K CA 1.708 57.970 56.287 -0.042 0.000 0.933 484 K CB -0.251 32.216 32.500 -0.055 0.000 0.734 484 K HN 0.346 nan 8.250 nan 0.000 0.479 485 L N -0.736 120.434 121.223 -0.089 0.000 2.349 485 L HA 0.158 4.498 4.340 -0.000 0.000 0.200 485 L C 1.339 178.078 176.870 -0.217 0.000 1.064 485 L CA -0.101 54.667 54.840 -0.121 0.000 0.821 485 L CB -0.717 41.276 42.059 -0.110 0.000 1.027 485 L HN -0.077 nan 8.230 nan 0.000 0.476 486 K N 0.132 120.388 120.400 -0.240 0.000 2.462 486 K HA 0.330 4.650 4.320 -0.000 0.000 0.257 486 K C -0.668 175.754 176.600 -0.296 0.000 1.062 486 K CA -0.301 55.740 56.287 -0.409 0.000 0.923 486 K CB 0.098 32.431 32.500 -0.278 0.000 1.210 486 K HN 0.248 nan 8.250 nan 0.000 0.502 487 Y N -4.360 115.870 120.300 -0.118 0.000 2.814 487 Y HA 0.362 4.912 4.550 -0.000 0.000 0.348 487 Y C -1.026 174.782 175.900 -0.153 0.000 1.245 487 Y CA -1.710 56.315 58.100 -0.124 0.000 1.086 487 Y CB -0.054 38.350 38.460 -0.093 0.000 1.373 487 Y HN 0.601 nan 8.280 nan 0.000 0.451 488 S N 2.335 118.079 115.700 0.074 0.000 2.626 488 S HA 0.602 5.072 4.470 -0.000 0.000 0.257 488 S C -2.406 172.115 174.600 -0.132 0.000 1.288 488 S CA -0.500 57.656 58.200 -0.073 0.000 0.980 488 S CB 0.142 63.278 63.200 -0.107 0.000 0.975 488 S HN 0.601 nan 8.310 nan 0.000 0.577 489 P HA 0.404 nan 4.420 nan 0.000 0.283 489 P C -1.291 175.901 177.300 -0.180 0.000 1.278 489 P CA -0.725 62.281 63.100 -0.157 0.000 0.834 489 P CB 0.752 32.381 31.700 -0.118 0.000 1.150 490 S N 1.646 117.235 115.700 -0.185 0.000 2.461 490 S HA 0.331 4.801 4.470 -0.000 0.000 0.322 490 S C -0.021 174.478 174.600 -0.168 0.000 1.063 490 S CA -0.201 57.896 58.200 -0.171 0.000 1.120 490 S CB -1.125 61.975 63.200 -0.167 0.000 0.968 490 S HN 0.500 nan 8.310 nan 0.000 0.467 491 N N 0.948 119.566 118.700 -0.136 0.000 3.041 491 N HA -0.120 4.620 4.740 -0.000 0.000 0.238 491 N C -0.925 174.517 175.510 -0.112 0.000 1.005 491 N CA 0.477 53.452 53.050 -0.125 0.000 0.919 491 N CB -1.161 37.232 38.487 -0.158 0.000 1.104 491 N HN 0.371 nan 8.380 nan 0.000 0.551 492 V N 0.647 120.499 119.914 -0.103 0.000 2.680 492 V HA 0.417 4.537 4.120 -0.000 0.000 0.309 492 V C 0.468 176.523 176.094 -0.066 0.000 1.052 492 V CA -0.891 61.360 62.300 -0.083 0.000 0.908 492 V CB 2.814 34.585 31.823 -0.087 0.000 1.001 492 V HN -0.106 nan 8.190 nan 0.000 0.431 493 K N 3.787 124.158 120.400 -0.048 0.000 2.234 493 K HA 0.531 4.851 4.320 -0.000 0.000 0.277 493 K C -0.495 176.089 176.600 -0.028 0.000 1.038 493 K CA -0.288 55.978 56.287 -0.035 0.000 0.888 493 K CB 2.149 34.634 32.500 -0.024 0.000 1.091 493 K HN 0.640 nan 8.250 nan 0.000 0.467 494 I N 0.836 121.392 120.570 -0.023 0.000 3.223 494 I HA 0.133 4.303 4.170 -0.000 0.000 0.317 494 I C 0.489 176.618 176.117 0.020 0.000 1.050 494 I CA -0.117 61.177 61.300 -0.010 0.000 1.069 494 I CB 1.627 39.615 38.000 -0.020 0.000 1.406 494 I HN 0.501 nan 8.210 nan 0.000 0.596 495 S N 0.995 116.723 115.700 0.047 0.000 2.666 495 S HA 0.220 4.690 4.470 -0.000 0.000 0.279 495 S C 0.136 174.787 174.600 0.084 0.000 1.149 495 S CA -0.690 57.548 58.200 0.063 0.000 1.020 495 S CB 0.844 64.089 63.200 0.075 0.000 1.127 495 S HN 0.612 nan 8.310 nan 0.000 0.537 496 D N 0.882 121.317 120.400 0.058 0.000 2.230 496 D HA 0.046 4.686 4.640 -0.000 0.000 0.274 496 D C -0.065 176.230 176.300 -0.010 0.000 1.222 496 D CA -0.023 53.995 54.000 0.028 0.000 0.943 496 D CB -0.640 40.160 40.800 0.000 0.000 0.920 496 D HN 0.382 nan 8.370 nan 0.000 0.300 497 N N 2.151 120.811 118.700 -0.068 0.000 1.368 497 N HA -0.142 4.598 4.740 -0.000 0.000 0.392 497 N C -2.028 173.196 175.510 -0.478 0.000 1.170 497 N CA 0.041 52.989 53.050 -0.171 0.000 0.768 497 N CB 0.524 38.956 38.487 -0.092 0.000 0.970 497 N HN 0.067 nan 8.380 nan 0.000 0.550 498 P HA -0.010 nan 4.420 nan 0.000 0.251 498 P C -0.683 176.020 177.300 -0.996 0.000 1.251 498 P CA 0.966 63.323 63.100 -1.239 0.000 0.763 498 P CB 0.081 31.455 31.700 -0.543 0.000 1.067 499 N N -2.008 116.394 118.700 -0.497 0.000 2.884 499 N HA 0.034 4.774 4.740 -0.000 0.000 0.211 499 N C -0.226 175.279 175.510 -0.009 0.000 1.442 499 N CA -0.001 52.973 53.050 -0.127 0.000 0.757 499 N CB 0.341 38.783 38.487 -0.075 0.000 1.461 499 N HN -0.160 nan 8.380 nan 0.000 0.557 500 T N -1.770 112.840 114.554 0.093 0.000 3.043 500 T HA 0.087 4.437 4.350 -0.000 0.000 0.272 500 T C 0.468 175.314 174.700 0.244 0.000 0.990 500 T CA 0.337 62.512 62.100 0.125 0.000 0.897 500 T CB 0.084 69.015 68.868 0.104 0.000 1.111 500 T HN 0.453 nan 8.240 nan 0.000 0.529 501 Y N 1.286 121.636 120.300 0.083 0.000 2.766 501 Y HA -0.352 4.198 4.550 -0.000 0.000 0.472 501 Y C 0.772 176.702 175.900 0.051 0.000 1.237 501 Y CA 2.286 60.420 58.100 0.057 0.000 2.588 501 Y CB -1.493 36.988 38.460 0.034 0.000 1.126 501 Y HN 0.349 nan 8.280 nan 0.000 0.586 502 D N 0.388 120.868 120.400 0.134 0.000 2.311 502 D HA -0.196 4.444 4.640 -0.000 0.000 0.212 502 D C 1.754 178.037 176.300 -0.028 0.000 0.972 502 D CA 1.994 55.990 54.000 -0.006 0.000 0.887 502 D CB -0.459 40.398 40.800 0.095 0.000 0.915 502 D HN 0.644 nan 8.370 nan 0.000 0.497 503 Y N 0.392 120.653 120.300 -0.065 0.000 2.201 503 Y HA 0.112 4.662 4.550 -0.000 0.000 0.292 503 Y C 1.217 177.058 175.900 -0.098 0.000 1.119 503 Y CA 1.143 59.206 58.100 -0.061 0.000 1.127 503 Y CB 0.008 38.455 38.460 -0.022 0.000 1.019 503 Y HN -0.067 nan 8.280 nan 0.000 0.514 504 M N 0.490 120.069 119.600 -0.036 0.000 2.738 504 M HA 0.241 4.721 4.480 -0.000 0.000 0.295 504 M C 0.455 176.598 176.300 -0.262 0.000 1.266 504 M CA 0.239 55.457 55.300 -0.137 0.000 0.985 504 M CB 0.074 32.701 32.600 0.044 0.000 1.365 504 M HN 0.323 nan 8.290 nan 0.000 0.492 505 N N 0.096 118.572 118.700 -0.373 0.000 2.509 505 N HA 0.106 4.846 4.740 -0.000 0.000 0.254 505 N C 1.363 176.598 175.510 -0.458 0.000 1.064 505 N CA 0.312 53.065 53.050 -0.494 0.000 0.865 505 N CB 0.349 38.345 38.487 -0.818 0.000 1.659 505 N HN 0.095 nan 8.380 nan 0.000 0.495 506 K N 0.511 120.665 120.400 -0.410 0.000 2.209 506 K HA 0.020 4.340 4.320 -0.000 0.000 0.204 506 K C 0.614 177.057 176.600 -0.262 0.000 1.048 506 K CA 0.403 56.478 56.287 -0.352 0.000 0.940 506 K CB -0.035 32.316 32.500 -0.249 0.000 0.729 506 K HN 0.078 nan 8.250 nan 0.000 0.451 507 R N 1.827 122.169 120.500 -0.265 0.000 4.792 507 R HA -0.033 4.307 4.340 -0.000 0.000 0.186 507 R C -0.076 176.167 176.300 -0.095 0.000 2.341 507 R CA -0.088 55.903 56.100 -0.181 0.000 1.881 507 R CB -1.068 29.090 30.300 -0.238 0.000 1.203 507 R HN -0.022 nan 8.270 nan 0.000 0.732 508 V N 0.759 120.624 119.914 -0.082 0.000 2.960 508 V HA -0.148 3.972 4.120 -0.000 0.000 0.282 508 V C 0.120 176.250 176.094 0.061 0.000 1.420 508 V CA 0.765 63.054 62.300 -0.017 0.000 1.448 508 V CB 0.518 32.355 31.823 0.024 0.000 0.886 508 V HN 0.157 nan 8.190 nan 0.000 0.522 509 V N 5.949 125.862 119.914 -0.001 0.000 3.158 509 V HA 0.932 5.052 4.120 -0.000 0.000 0.315 509 V C 0.429 176.543 176.094 0.033 0.000 1.148 509 V CA -0.154 62.094 62.300 -0.087 0.000 1.042 509 V CB 2.100 33.793 31.823 -0.217 0.000 1.101 509 V HN 1.353 nan 8.190 nan 0.000 0.448 510 A N 2.355 125.167 122.820 -0.013 0.000 2.248 510 A HA 0.811 5.131 4.320 -0.000 0.000 0.316 510 A C -2.185 175.506 177.584 0.179 0.000 1.101 510 A CA -1.276 50.813 52.037 0.087 0.000 0.875 510 A CB 0.889 19.911 19.000 0.035 0.000 1.207 510 A HN 0.629 nan 8.150 nan 0.000 0.504 511 P HA 0.121 nan 4.420 nan 0.000 0.259 511 P C 0.787 178.161 177.300 0.123 0.000 1.233 511 P CA 0.713 64.007 63.100 0.323 0.000 0.827 511 P CB 0.162 31.904 31.700 0.070 0.000 1.154 512 G N 0.763 109.592 108.800 0.048 0.000 3.284 512 G HA2 0.329 4.289 3.960 -0.000 0.000 0.251 512 G HA3 0.329 4.289 3.960 -0.000 0.000 0.251 512 G C 0.515 175.468 174.900 0.088 0.000 0.913 512 G CA 0.021 45.132 45.100 0.018 0.000 1.947 512 G HN 0.285 nan 8.290 nan 0.000 0.635 513 L N -1.637 119.689 121.223 0.170 0.000 2.455 513 L HA 0.498 4.838 4.340 -0.000 0.000 0.138 513 L C 0.026 177.124 176.870 0.380 0.000 1.398 513 L CA -0.416 54.559 54.840 0.225 0.000 0.998 513 L CB 0.384 42.486 42.059 0.071 0.000 1.985 513 L HN -0.094 nan 8.230 nan 0.000 0.493 514 V N 1.533 121.598 119.914 0.252 0.000 2.378 514 V HA 0.538 4.658 4.120 -0.000 0.000 0.288 514 V C -1.181 175.066 176.094 0.256 0.000 1.016 514 V CA 0.000 62.478 62.300 0.297 0.000 0.840 514 V CB 1.326 33.244 31.823 0.158 0.000 0.994 514 V HN 0.498 nan 8.190 nan 0.000 0.431 515 D N 3.994 124.480 120.400 0.143 0.000 3.112 515 D HA 0.401 5.041 4.640 -0.000 0.000 0.212 515 D C 0.327 176.732 176.300 0.175 0.000 1.376 515 D CA 1.213 55.228 54.000 0.025 0.000 1.411 515 D CB 0.641 41.242 40.800 -0.331 0.000 0.965 515 D HN 0.765 nan 8.370 nan 0.000 0.192 516 C N 0.490 119.958 119.300 0.280 0.000 3.034 516 C HA 0.462 4.922 4.460 -0.000 0.000 0.292 516 C C 0.004 175.291 174.990 0.495 0.000 1.956 516 C CA -0.825 58.436 59.018 0.405 0.000 1.141 516 C CB -1.418 26.630 27.740 0.512 0.000 2.091 516 C HN 0.564 nan 8.230 nan 0.000 0.631 517 Y N 0.324 120.738 120.300 0.189 0.000 2.494 517 Y HA 0.591 5.141 4.550 -0.000 0.000 0.271 517 Y C 0.299 176.270 175.900 0.118 0.000 1.113 517 Y CA -1.464 56.725 58.100 0.149 0.000 1.240 517 Y CB -0.952 37.598 38.460 0.149 0.000 1.268 517 Y HN 0.347 nan 8.280 nan 0.000 0.510 518 I N 2.448 122.815 120.570 -0.339 0.000 2.638 518 I HA 0.134 4.304 4.170 -0.000 0.000 0.286 518 I C 0.259 176.300 176.117 -0.125 0.000 1.088 518 I CA -0.319 60.761 61.300 -0.367 0.000 1.397 518 I CB 0.147 37.934 38.000 -0.354 0.000 1.414 518 I HN 0.132 nan 8.210 nan 0.000 0.566 519 N N 3.228 121.827 118.700 -0.168 0.000 2.708 519 N HA -0.184 4.556 4.740 -0.000 0.000 0.251 519 N C -0.356 175.115 175.510 -0.065 0.000 1.017 519 N CA 0.465 53.426 53.050 -0.148 0.000 0.742 519 N CB -0.967 37.392 38.487 -0.212 0.000 0.943 519 N HN 0.581 nan 8.380 nan 0.000 0.539 520 L N 0.262 121.466 121.223 -0.032 0.000 2.825 520 L HA -0.001 4.339 4.340 -0.000 0.000 0.278 520 L C 1.585 178.459 176.870 0.008 0.000 1.125 520 L CA 1.745 56.597 54.840 0.021 0.000 1.023 520 L CB -0.823 41.247 42.059 0.018 0.000 1.377 520 L HN 0.709 nan 8.230 nan 0.000 0.471 521 G N 2.827 111.654 108.800 0.046 0.000 2.559 521 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.202 521 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.202 521 G C 0.278 175.220 174.900 0.069 0.000 0.992 521 G CA -0.091 45.036 45.100 0.047 0.000 0.764 521 G HN 0.826 nan 8.290 nan 0.000 0.525 522 A N 0.587 123.455 122.820 0.080 0.000 2.350 522 A HA 0.730 5.050 4.320 -0.000 0.000 0.293 522 A C 0.577 178.311 177.584 0.249 0.000 1.231 522 A CA -0.121 52.000 52.037 0.140 0.000 0.883 522 A CB 0.316 19.368 19.000 0.087 0.000 1.133 522 A HN 0.487 nan 8.150 nan 0.000 0.533 523 R N 3.491 124.168 120.500 0.296 0.000 3.570 523 R HA 0.227 4.567 4.340 -0.000 0.000 0.233 523 R C -0.807 175.699 176.300 0.345 0.000 1.492 523 R CA -0.370 55.874 56.100 0.240 0.000 1.504 523 R CB -0.439 29.964 30.300 0.173 0.000 1.314 523 R HN 0.852 nan 8.270 nan 0.000 0.687 524 W N 1.144 122.458 121.300 0.022 0.000 2.941 524 W HA 0.586 5.246 4.660 -0.000 0.000 0.352 524 W C -0.848 175.673 176.519 0.004 0.000 1.368 524 W CA -0.900 56.449 57.345 0.007 0.000 1.232 524 W CB 2.197 31.661 29.460 0.006 0.000 1.586 524 W HN 0.208 nan 8.180 nan 0.000 0.649 525 S N 1.726 117.222 115.700 -0.340 0.000 2.240 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.281 525 S C -0.608 173.803 174.600 -0.315 0.000 0.842 525 S CA -0.800 57.272 58.200 -0.213 0.000 0.942 525 S CB -0.180 62.855 63.200 -0.275 0.000 1.241 525 S HN 0.309 nan 8.310 nan 0.000 0.407 526 L N 2.255 123.547 121.223 0.116 0.000 2.489 526 L HA -0.012 4.328 4.340 -0.000 0.000 0.285 526 L C 1.423 178.282 176.870 -0.018 0.000 1.259 526 L CA -0.050 54.922 54.840 0.218 0.000 0.828 526 L CB 0.174 42.377 42.059 0.239 0.000 1.094 526 L HN 0.590 nan 8.230 nan 0.000 0.524 527 D N 0.242 120.602 120.400 -0.066 0.000 2.498 527 D HA -0.301 4.339 4.640 -0.000 0.000 0.250 527 D C 1.405 177.544 176.300 -0.268 0.000 1.304 527 D CA 2.069 55.885 54.000 -0.307 0.000 1.093 527 D CB -0.741 39.629 40.800 -0.717 0.000 1.746 527 D HN 0.535 nan 8.370 nan 0.000 0.594 528 Y N -0.965 119.358 120.300 0.039 0.000 2.723 528 Y HA -0.072 4.478 4.550 -0.000 0.000 0.286 528 Y C 1.518 177.429 175.900 0.019 0.000 1.159 528 Y CA 0.239 58.354 58.100 0.025 0.000 1.442 528 Y CB -0.777 37.697 38.460 0.023 0.000 0.959 528 Y HN 0.012 nan 8.280 nan 0.000 0.581 529 M N 0.794 120.441 119.600 0.079 0.000 3.371 529 M HA 0.222 4.702 4.480 -0.000 0.000 0.212 529 M C -0.984 175.295 176.300 -0.036 0.000 1.200 529 M CA -0.001 55.329 55.300 0.050 0.000 1.211 529 M CB -0.143 32.497 32.600 0.066 0.000 1.210 529 M HN 0.118 nan 8.290 nan 0.000 0.601 530 D N -1.043 119.340 120.400 -0.028 0.000 4.090 530 D HA 0.091 4.731 4.640 -0.000 0.000 0.202 530 D C -0.280 176.012 176.300 -0.014 0.000 0.953 530 D CA 0.060 54.008 54.000 -0.086 0.000 0.737 530 D CB -0.021 40.646 40.800 -0.221 0.000 1.711 530 D HN 0.263 nan 8.370 nan 0.000 0.406 531 N N 0.462 119.204 118.700 0.069 0.000 2.338 531 N HA 0.181 4.921 4.740 -0.000 0.000 0.251 531 N C -0.298 175.294 175.510 0.137 0.000 1.199 531 N CA 0.219 53.333 53.050 0.106 0.000 0.879 531 N CB 1.210 39.750 38.487 0.090 0.000 1.159 531 N HN 0.237 nan 8.380 nan 0.000 0.514 532 V N -2.852 117.205 119.914 0.238 0.000 3.164 532 V HA 0.583 4.703 4.120 -0.000 0.000 0.313 532 V C -0.149 176.131 176.094 0.310 0.000 1.188 532 V CA -1.179 61.371 62.300 0.417 0.000 1.058 532 V CB 2.227 34.155 31.823 0.175 0.000 1.110 532 V HN -0.035 nan 8.190 nan 0.000 0.453 533 N N 1.078 119.834 118.700 0.092 0.000 2.392 533 N HA 0.557 5.297 4.740 -0.000 0.000 0.283 533 N C -2.323 173.074 175.510 -0.188 0.000 1.003 533 N CA -1.706 51.139 53.050 -0.341 0.000 0.892 533 N CB 2.613 40.805 38.487 -0.491 0.000 1.193 533 N HN 0.639 nan 8.380 nan 0.000 0.487 534 P HA 0.224 nan 4.420 nan 0.000 0.266 534 P C -0.335 177.020 177.300 0.092 0.000 1.381 534 P CA 0.077 63.102 63.100 -0.124 0.000 0.940 534 P CB 0.032 31.516 31.700 -0.360 0.000 1.435 535 F N -0.421 119.368 119.950 -0.268 0.000 2.661 535 F HA 0.309 4.836 4.527 -0.000 0.000 0.306 535 F C 0.636 176.390 175.800 -0.076 0.000 1.094 535 F CA -0.551 57.354 58.000 -0.159 0.000 1.254 535 F CB -0.307 38.581 39.000 -0.186 0.000 1.040 535 F HN -0.164 nan 8.300 nan 0.000 0.562 536 N N 0.075 118.818 118.700 0.072 0.000 2.908 536 N HA 0.115 4.855 4.740 -0.000 0.000 0.316 536 N C -0.460 175.079 175.510 0.049 0.000 1.619 536 N CA 0.101 53.202 53.050 0.085 0.000 1.045 536 N CB -0.103 38.446 38.487 0.104 0.000 1.357 536 N HN 0.110 nan 8.380 nan 0.000 0.501 537 H N -0.877 118.136 119.070 -0.094 0.000 3.199 537 H HA 0.307 4.863 4.556 -0.000 0.000 0.292 537 H C 0.687 175.967 175.328 -0.080 0.000 1.600 537 H CA -0.583 55.388 56.048 -0.127 0.000 1.235 537 H CB 0.867 30.473 29.762 -0.261 0.000 1.839 537 H HN 0.263 nan 8.280 nan 0.000 0.623 538 H N -0.485 118.269 119.070 -0.527 0.000 2.788 538 H HA 0.250 4.806 4.556 -0.000 0.000 0.262 538 H C 0.570 175.628 175.328 -0.451 0.000 0.968 538 H CA -0.132 55.590 56.048 -0.543 0.000 1.218 538 H CB 0.768 30.358 29.762 -0.286 0.000 1.443 538 H HN 0.175 nan 8.280 nan 0.000 0.478 539 R N 1.732 121.907 120.500 -0.542 0.000 3.732 539 R HA 0.179 4.519 4.340 -0.000 0.000 0.258 539 R C -0.734 175.462 176.300 -0.172 0.000 1.661 539 R CA -0.084 55.866 56.100 -0.250 0.000 1.424 539 R CB -0.365 29.743 30.300 -0.320 0.000 1.308 539 R HN 0.390 nan 8.270 nan 0.000 0.634 540 N N -1.063 117.539 118.700 -0.164 0.000 2.314 540 N HA 0.401 5.141 4.740 -0.000 0.000 0.304 540 N C -1.116 174.359 175.510 -0.059 0.000 1.073 540 N CA -0.442 52.530 53.050 -0.130 0.000 0.822 540 N CB 1.628 40.029 38.487 -0.143 0.000 1.280 540 N HN 0.141 nan 8.380 nan 0.000 0.489 541 A N 1.900 124.723 122.820 0.004 0.000 3.113 541 A HA 0.434 4.754 4.320 -0.000 0.000 0.307 541 A C 0.582 178.263 177.584 0.162 0.000 1.025 541 A CA -0.374 51.783 52.037 0.200 0.000 1.012 541 A CB -0.165 19.009 19.000 0.291 0.000 1.085 541 A HN 0.760 nan 8.150 nan 0.000 0.519 542 G N -1.132 107.724 108.800 0.092 0.000 2.695 542 G HA2 0.324 4.284 3.960 -0.000 0.000 0.205 542 G HA3 0.324 4.284 3.960 -0.000 0.000 0.205 542 G C 0.804 175.785 174.900 0.135 0.000 1.068 542 G CA 0.723 45.888 45.100 0.107 0.000 0.842 542 G HN 0.440 nan 8.290 nan 0.000 0.628 543 L N 0.656 121.930 121.223 0.085 0.000 2.586 543 L HA 0.398 4.738 4.340 -0.000 0.000 0.204 543 L C 2.480 179.365 176.870 0.026 0.000 1.053 543 L CA 1.114 55.995 54.840 0.069 0.000 0.856 543 L CB -0.332 41.737 42.059 0.017 0.000 1.192 543 L HN 0.158 nan 8.230 nan 0.000 0.484 544 R N -0.778 119.679 120.500 -0.072 0.000 2.211 544 R HA -0.213 4.127 4.340 -0.000 0.000 0.240 544 R C 0.357 176.539 176.300 -0.198 0.000 1.144 544 R CA 1.906 57.910 56.100 -0.160 0.000 0.992 544 R CB -0.949 29.225 30.300 -0.210 0.000 0.869 544 R HN 0.424 nan 8.270 nan 0.000 0.462 545 Y N -0.286 120.028 120.300 0.023 0.000 2.867 545 Y HA 0.377 4.927 4.550 -0.000 0.000 0.351 545 Y C 1.099 177.046 175.900 0.078 0.000 1.046 545 Y CA -0.438 57.691 58.100 0.048 0.000 1.520 545 Y CB 0.438 38.940 38.460 0.070 0.000 1.337 545 Y HN 0.053 nan 8.280 nan 0.000 0.525 546 R N -1.861 118.726 120.500 0.146 0.000 4.379 546 R HA -0.028 4.312 4.340 -0.000 0.000 0.112 546 R C 2.171 178.549 176.300 0.130 0.000 0.659 546 R CA 0.978 57.180 56.100 0.170 0.000 1.167 546 R CB -0.203 30.220 30.300 0.205 0.000 1.572 546 R HN 0.245 nan 8.270 nan 0.000 0.426 547 S N 1.850 117.625 115.700 0.126 0.000 2.402 547 S HA -0.249 4.221 4.470 -0.000 0.000 0.233 547 S C 1.957 176.611 174.600 0.091 0.000 1.030 547 S CA 1.693 59.974 58.200 0.135 0.000 1.003 547 S CB -0.424 62.897 63.200 0.202 0.000 0.813 547 S HN 0.266 nan 8.310 nan 0.000 0.477 548 M N 1.292 120.919 119.600 0.045 0.000 2.255 548 M HA -0.126 4.354 4.480 -0.000 0.000 0.259 548 M C 2.040 178.354 176.300 0.024 0.000 1.071 548 M CA 1.424 56.732 55.300 0.013 0.000 1.074 548 M CB -1.260 31.311 32.600 -0.048 0.000 1.384 548 M HN 0.461 nan 8.290 nan 0.000 0.415 549 L N -1.594 119.652 121.223 0.038 0.000 2.270 549 L HA 0.129 4.469 4.340 -0.000 0.000 0.210 549 L C 1.553 178.451 176.870 0.046 0.000 1.104 549 L CA 1.118 55.980 54.840 0.037 0.000 0.804 549 L CB -0.671 41.415 42.059 0.046 0.000 0.937 549 L HN 0.194 nan 8.230 nan 0.000 0.450 550 L N 1.025 122.280 121.223 0.054 0.000 2.851 550 L HA 0.340 4.680 4.340 -0.000 0.000 0.237 550 L C 1.921 178.833 176.870 0.069 0.000 1.257 550 L CA 0.230 55.098 54.840 0.046 0.000 1.061 550 L CB -0.785 41.290 42.059 0.027 0.000 1.372 550 L HN 0.471 nan 8.230 nan 0.000 0.493 551 G N 1.879 110.718 108.800 0.065 0.000 3.359 551 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.338 551 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.338 551 G C 0.512 175.467 174.900 0.091 0.000 1.486 551 G CA 1.935 47.077 45.100 0.069 0.000 1.570 551 G HN 0.577 nan 8.290 nan 0.000 1.093 552 N N -3.170 115.589 118.700 0.098 0.000 3.575 552 N HA 0.500 5.240 4.740 -0.000 0.000 0.343 552 N C -0.001 175.607 175.510 0.165 0.000 1.574 552 N CA 0.084 53.211 53.050 0.129 0.000 0.832 552 N CB -0.012 38.521 38.487 0.078 0.000 2.151 552 N HN 1.407 nan 8.380 nan 0.000 0.552 553 G N 0.069 108.990 108.800 0.200 0.000 2.901 553 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.654 553 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.654 553 G C 0.166 175.252 174.900 0.310 0.000 1.550 553 G CA 0.589 45.829 45.100 0.234 0.000 0.978 553 G HN 0.878 nan 8.290 nan 0.000 0.566 554 R N -0.854 119.841 120.500 0.324 0.000 2.307 554 R HA 0.235 4.575 4.340 -0.000 0.000 0.200 554 R C 0.085 176.432 176.300 0.080 0.000 0.893 554 R CA 0.154 56.349 56.100 0.157 0.000 1.042 554 R CB 0.359 30.888 30.300 0.382 0.000 1.059 554 R HN 0.458 nan 8.270 nan 0.000 0.530 555 Y N 1.656 121.967 120.300 0.018 0.000 2.880 555 Y HA 0.281 4.831 4.550 -0.000 0.000 0.329 555 Y C -0.399 175.518 175.900 0.028 0.000 1.156 555 Y CA -0.915 57.195 58.100 0.017 0.000 1.348 555 Y CB 1.658 40.130 38.460 0.020 0.000 1.280 555 Y HN -0.154 nan 8.280 nan 0.000 0.516 556 V N 4.695 124.675 119.914 0.110 0.000 2.169 556 V HA 0.240 4.360 4.120 -0.000 0.000 0.271 556 V C -2.175 174.063 176.094 0.241 0.000 1.372 556 V CA -2.157 60.227 62.300 0.140 0.000 1.348 556 V CB -0.708 31.159 31.823 0.074 0.000 1.379 556 V HN 0.432 nan 8.190 nan 0.000 0.491 557 P HA 0.120 nan 4.420 nan 0.000 0.269 557 P C -0.402 176.997 177.300 0.165 0.000 1.205 557 P CA 0.590 63.709 63.100 0.033 0.000 0.780 557 P CB 0.387 32.087 31.700 0.001 0.000 0.858 558 F N -2.072 117.904 119.950 0.043 0.000 3.523 558 F HA 0.587 5.114 4.527 -0.000 0.000 0.328 558 F C 0.434 176.319 175.800 0.141 0.000 1.181 558 F CA -0.460 57.582 58.000 0.070 0.000 0.901 558 F CB 0.588 39.594 39.000 0.009 0.000 1.586 558 F HN 0.454 nan 8.300 nan 0.000 0.520 559 H N 0.820 120.145 119.070 0.425 0.000 3.621 559 H HA 0.173 4.729 4.556 -0.000 0.000 0.274 559 H C -0.250 175.193 175.328 0.192 0.000 1.094 559 H CA 0.035 56.226 56.048 0.239 0.000 1.148 559 H CB -1.050 28.783 29.762 0.118 0.000 2.548 559 H HN 0.963 nan 8.280 nan 0.000 0.855 560 I N 1.922 122.407 120.570 -0.141 0.000 3.281 560 I HA -0.073 4.097 4.170 -0.000 0.000 0.346 560 I C -1.038 174.874 176.117 -0.341 0.000 1.154 560 I CA 1.003 62.108 61.300 -0.325 0.000 1.507 560 I CB 0.492 38.178 38.000 -0.523 0.000 1.263 560 I HN 0.279 nan 8.210 nan 0.000 0.515 561 Q N 5.904 125.620 119.800 -0.141 0.000 2.263 561 Q HA 0.817 5.157 4.340 -0.000 0.000 0.266 561 Q C -0.893 175.278 176.000 0.284 0.000 1.002 561 Q CA -0.771 55.032 55.803 -0.001 0.000 0.790 561 Q CB 2.119 30.987 28.738 0.218 0.000 1.272 561 Q HN 0.705 nan 8.270 nan 0.000 0.435 562 V N 2.757 122.803 119.914 0.221 0.000 3.087 562 V HA 0.833 4.953 4.120 -0.000 0.000 0.306 562 V C -2.610 173.678 176.094 0.324 0.000 1.187 562 V CA -2.125 60.414 62.300 0.399 0.000 0.999 562 V CB 2.923 35.066 31.823 0.533 0.000 1.049 562 V HN 0.758 nan 8.190 nan 0.000 0.431 563 P HA 0.398 nan 4.420 nan 0.000 0.332 563 P C -1.450 176.062 177.300 0.354 0.000 1.298 563 P CA -0.449 62.954 63.100 0.505 0.000 0.755 563 P CB 0.844 32.780 31.700 0.393 0.000 1.465 564 Q N -0.674 119.328 119.800 0.338 0.000 2.241 564 Q HA 0.476 4.816 4.340 -0.000 0.000 0.262 564 Q C -0.997 175.091 176.000 0.146 0.000 1.014 564 Q CA -0.723 55.227 55.803 0.245 0.000 0.885 564 Q CB 1.106 30.015 28.738 0.286 0.000 1.311 564 Q HN 0.246 nan 8.270 nan 0.000 0.461 565 K N 1.276 121.739 120.400 0.104 0.000 2.469 565 K HA 0.711 5.031 4.320 -0.000 0.000 0.254 565 K C -1.329 175.381 176.600 0.182 0.000 0.939 565 K CA -0.725 55.646 56.287 0.140 0.000 0.812 565 K CB 2.078 34.579 32.500 0.002 0.000 1.301 565 K HN 0.473 nan 8.250 nan 0.000 0.433 566 F N 1.028 121.005 119.950 0.045 0.000 3.410 566 F HA 0.282 4.809 4.527 -0.000 0.000 0.328 566 F C -1.145 174.753 175.800 0.163 0.000 1.099 566 F CA -1.810 56.238 58.000 0.079 0.000 0.841 566 F CB 0.422 39.468 39.000 0.076 0.000 1.527 566 F HN 0.478 nan 8.300 nan 0.000 0.478 567 F N 1.705 121.236 119.950 -0.699 0.000 2.399 567 F HA 0.660 5.187 4.527 -0.000 0.000 0.282 567 F C 0.915 176.343 175.800 -0.621 0.000 1.027 567 F CA 1.012 58.694 58.000 -0.531 0.000 1.333 567 F CB -0.831 37.984 39.000 -0.308 0.000 1.132 567 F HN 0.397 nan 8.300 nan 0.000 0.590 568 A N 0.948 122.502 122.820 -2.110 0.000 3.260 568 A HA 0.613 4.933 4.320 -0.000 0.000 0.268 568 A C 0.440 177.390 177.584 -1.057 0.000 1.491 568 A CA 0.351 51.423 52.037 -1.609 0.000 1.181 568 A CB -1.675 16.317 19.000 -1.680 0.000 1.137 568 A HN 0.725 nan 8.150 nan 0.000 0.642 569 I N -3.950 116.203 120.570 -0.695 0.000 3.121 569 I HA 0.226 4.396 4.170 -0.000 0.000 0.274 569 I C 1.279 177.261 176.117 -0.225 0.000 1.011 569 I CA 0.064 61.151 61.300 -0.354 0.000 1.782 569 I CB -0.328 37.670 38.000 -0.002 0.000 1.850 569 I HN 0.147 nan 8.210 nan 0.000 0.382 570 K N 2.197 122.530 120.400 -0.112 0.000 3.013 570 K HA -0.380 3.940 4.320 -0.000 0.000 0.277 570 K C 1.412 177.993 176.600 -0.032 0.000 0.694 570 K CA 2.810 59.062 56.287 -0.058 0.000 1.164 570 K CB -2.160 30.302 32.500 -0.063 0.000 0.824 570 K HN 0.647 nan 8.250 nan 0.000 0.710 571 N N 1.504 120.216 118.700 0.021 0.000 2.030 571 N HA -0.051 4.689 4.740 -0.000 0.000 0.194 571 N C 0.923 176.424 175.510 -0.014 0.000 1.074 571 N CA 0.856 53.939 53.050 0.055 0.000 0.860 571 N CB -0.318 38.293 38.487 0.206 0.000 1.055 571 N HN 0.210 nan 8.380 nan 0.000 0.429 572 L N 1.047 122.222 121.223 -0.082 0.000 4.616 572 L HA -0.213 4.127 4.340 -0.000 0.000 0.579 572 L C -0.490 176.307 176.870 -0.121 0.000 1.014 572 L CA 0.587 55.295 54.840 -0.220 0.000 0.499 572 L CB 0.061 41.903 42.059 -0.362 0.000 0.294 572 L HN 0.476 nan 8.230 nan 0.000 1.156 573 L N 4.895 126.044 121.223 -0.124 0.000 2.787 573 L HA 0.492 4.832 4.340 -0.000 0.000 0.260 573 L C -1.455 175.358 176.870 -0.094 0.000 0.921 573 L CA -0.882 53.900 54.840 -0.096 0.000 0.984 573 L CB 1.413 43.422 42.059 -0.083 0.000 1.519 573 L HN 0.544 nan 8.230 nan 0.000 0.452 574 L N 4.671 125.838 121.223 -0.093 0.000 2.343 574 L HA 0.703 5.043 4.340 -0.000 0.000 0.275 574 L C -0.338 176.525 176.870 -0.012 0.000 1.056 574 L CA -0.316 54.477 54.840 -0.078 0.000 0.804 574 L CB 1.495 43.463 42.059 -0.152 0.000 1.203 574 L HN 0.777 nan 8.230 nan 0.000 0.440 575 L N 1.243 122.491 121.223 0.041 0.000 2.682 575 L HA 0.670 5.010 4.340 -0.000 0.000 0.209 575 L C -2.077 174.887 176.870 0.156 0.000 1.195 575 L CA -1.902 52.989 54.840 0.084 0.000 0.869 575 L CB -1.032 41.080 42.059 0.088 0.000 1.599 575 L HN 0.430 nan 8.230 nan 0.000 0.518 576 P HA 0.291 nan 4.420 nan 0.000 0.273 576 P C -0.574 176.825 177.300 0.165 0.000 1.319 576 P CA 0.145 63.344 63.100 0.164 0.000 0.885 576 P CB 0.472 32.246 31.700 0.125 0.000 1.015 577 G N 1.222 110.152 108.800 0.218 0.000 2.742 577 G HA2 0.385 4.345 3.960 -0.000 0.000 0.296 577 G HA3 0.385 4.345 3.960 -0.000 0.000 0.296 577 G C -1.230 173.507 174.900 -0.272 0.000 1.436 577 G CA -0.437 44.634 45.100 -0.050 0.000 0.928 577 G HN 0.121 nan 8.290 nan 0.000 0.520 578 S N 0.901 116.312 115.700 -0.481 0.000 2.410 578 S HA 0.606 5.076 4.470 -0.000 0.000 0.304 578 S C -0.584 173.724 174.600 -0.488 0.000 1.095 578 S CA -0.311 57.709 58.200 -0.300 0.000 1.089 578 S CB 0.105 63.217 63.200 -0.148 0.000 0.968 578 S HN 0.468 nan 8.310 nan 0.000 0.480 579 Y N 1.527 121.851 120.300 0.041 0.000 3.304 579 Y HA 0.715 5.265 4.550 -0.000 0.000 0.302 579 Y C 1.040 176.964 175.900 0.039 0.000 1.660 579 Y CA -0.783 57.343 58.100 0.043 0.000 0.779 579 Y CB 0.408 38.900 38.460 0.053 0.000 1.242 579 Y HN 0.408 nan 8.280 nan 0.000 0.741 580 T N -1.817 112.896 114.554 0.266 0.000 2.700 580 T HA 0.311 4.661 4.350 -0.000 0.000 0.307 580 T C -2.022 172.819 174.700 0.235 0.000 1.580 580 T CA -0.702 61.506 62.100 0.180 0.000 0.992 580 T CB 1.367 70.312 68.868 0.130 0.000 1.577 580 T HN 0.375 nan 8.240 nan 0.000 0.496 581 Y N 0.713 121.075 120.300 0.103 0.000 3.072 581 Y HA 0.815 5.365 4.550 -0.000 0.000 0.314 581 Y C 0.525 176.561 175.900 0.227 0.000 1.446 581 Y CA 0.068 58.280 58.100 0.187 0.000 1.055 581 Y CB 1.108 39.720 38.460 0.253 0.000 1.365 581 Y HN 0.885 nan 8.280 nan 0.000 0.657 582 E N -0.615 119.859 120.200 0.457 0.000 6.033 582 E HA -0.069 4.281 4.350 -0.000 0.000 0.553 582 E C -2.088 174.648 176.600 0.227 0.000 1.667 582 E CA 0.340 56.942 56.400 0.337 0.000 3.050 582 E CB -0.562 29.206 29.700 0.112 0.000 0.781 582 E HN 0.648 nan 8.360 nan 0.000 0.263 583 W N 0.198 121.383 121.300 -0.191 0.000 3.551 583 W HA 0.035 4.695 4.660 -0.000 0.000 0.324 583 W C -2.067 174.095 176.519 -0.595 0.000 0.419 583 W CA -0.249 56.832 57.345 -0.439 0.000 0.575 583 W CB -0.717 28.386 29.460 -0.594 0.000 1.097 583 W HN 0.532 nan 8.180 nan 0.000 0.470 584 N N 3.880 121.949 118.700 -1.051 0.000 2.936 584 N HA 0.258 4.998 4.740 -0.000 0.000 0.243 584 N C 0.587 176.154 175.510 0.094 0.000 1.149 584 N CA -0.110 52.711 53.050 -0.381 0.000 0.914 584 N CB -0.284 37.976 38.487 -0.379 0.000 1.179 584 N HN 0.155 nan 8.380 nan 0.000 0.502 585 F N 1.731 121.928 119.950 0.412 0.000 1.988 585 F HA -0.010 4.517 4.527 -0.000 0.000 0.303 585 F C 1.786 177.515 175.800 -0.118 0.000 1.423 585 F CA 0.680 58.712 58.000 0.052 0.000 1.187 585 F CB 0.044 38.891 39.000 -0.254 0.000 0.919 585 F HN 0.273 nan 8.300 nan 0.000 0.526 586 R N -1.067 119.496 120.500 0.105 0.000 3.574 586 R HA 0.455 4.795 4.340 -0.000 0.000 0.259 586 R C -1.275 175.089 176.300 0.106 0.000 0.963 586 R CA -0.919 55.208 56.100 0.046 0.000 0.804 586 R CB 1.173 31.313 30.300 -0.268 0.000 1.680 586 R HN 0.203 nan 8.270 nan 0.000 0.407 587 K N -0.251 120.202 120.400 0.088 0.000 2.974 587 K HA 0.133 4.453 4.320 -0.000 0.000 0.144 587 K C -1.139 175.481 176.600 0.033 0.000 1.066 587 K CA -0.095 56.307 56.287 0.191 0.000 1.110 587 K CB 0.671 33.388 32.500 0.361 0.000 0.748 587 K HN 0.420 nan 8.250 nan 0.000 0.389 588 D N 0.195 120.503 120.400 -0.154 0.000 2.414 588 D HA 0.175 4.815 4.640 -0.000 0.000 0.259 588 D C 0.925 177.173 176.300 -0.086 0.000 1.269 588 D CA 0.432 54.228 54.000 -0.340 0.000 1.028 588 D CB 1.562 42.162 40.800 -0.333 0.000 1.093 588 D HN -0.005 nan 8.370 nan 0.000 0.545 589 V N -1.836 118.062 119.914 -0.027 0.000 3.509 589 V HA 0.219 4.339 4.120 -0.000 0.000 0.286 589 V C 0.411 176.537 176.094 0.053 0.000 1.618 589 V CA -0.338 61.991 62.300 0.049 0.000 1.088 589 V CB -0.073 31.812 31.823 0.103 0.000 0.909 589 V HN 0.554 nan 8.190 nan 0.000 0.429 590 N N -0.879 117.876 118.700 0.093 0.000 2.026 590 N HA 0.182 4.922 4.740 -0.000 0.000 0.239 590 N C 1.350 176.997 175.510 0.227 0.000 1.283 590 N CA 0.249 53.373 53.050 0.123 0.000 0.816 590 N CB 0.127 38.685 38.487 0.118 0.000 1.263 590 N HN 0.240 nan 8.380 nan 0.000 0.470 591 M N 1.672 121.384 119.600 0.186 0.000 2.349 591 M HA 0.014 4.494 4.480 -0.000 0.000 0.266 591 M C 2.092 178.317 176.300 -0.126 0.000 1.076 591 M CA 1.033 56.333 55.300 0.001 0.000 1.126 591 M CB -0.026 32.480 32.600 -0.156 0.000 1.392 591 M HN 0.107 nan 8.290 nan 0.000 0.440 592 V N -1.432 118.392 119.914 -0.150 0.000 2.326 592 V HA 0.043 4.163 4.120 -0.000 0.000 0.238 592 V C 1.116 176.945 176.094 -0.442 0.000 1.038 592 V CA 0.374 62.512 62.300 -0.270 0.000 1.032 592 V CB -0.967 30.767 31.823 -0.147 0.000 0.675 592 V HN 0.198 nan 8.190 nan 0.000 0.467 593 L N 2.098 123.173 121.223 -0.246 0.000 2.313 593 L HA 0.331 4.671 4.340 -0.000 0.000 0.282 593 L C 0.708 177.492 176.870 -0.143 0.000 1.092 593 L CA 0.520 55.222 54.840 -0.229 0.000 0.831 593 L CB 0.595 42.609 42.059 -0.075 0.000 1.159 593 L HN 0.383 nan 8.230 nan 0.000 0.442 594 Q N 1.778 121.482 119.800 -0.158 0.000 2.455 594 Q HA 0.420 4.760 4.340 -0.000 0.000 0.184 594 Q C -0.158 175.837 176.000 -0.008 0.000 1.145 594 Q CA 0.058 55.835 55.803 -0.043 0.000 1.123 594 Q CB 0.965 29.687 28.738 -0.026 0.000 2.291 594 Q HN 0.733 nan 8.270 nan 0.000 0.584 595 S N -1.583 114.137 115.700 0.034 0.000 2.578 595 S HA 0.202 4.672 4.470 -0.000 0.000 0.285 595 S C -1.037 173.629 174.600 0.109 0.000 1.126 595 S CA -0.652 57.567 58.200 0.032 0.000 0.878 595 S CB 1.335 64.465 63.200 -0.117 0.000 1.091 595 S HN 0.366 nan 8.310 nan 0.000 0.450 596 S N 2.498 118.294 115.700 0.159 0.000 2.618 596 S HA 0.489 4.959 4.470 -0.000 0.000 0.242 596 S C 0.461 175.222 174.600 0.268 0.000 0.972 596 S CA 0.129 58.466 58.200 0.228 0.000 1.004 596 S CB -0.912 62.475 63.200 0.313 0.000 0.778 596 S HN 0.692 nan 8.310 nan 0.000 0.459 597 L N -1.222 120.115 121.223 0.190 0.000 1.284 597 L HA 0.318 4.658 4.340 -0.000 0.000 0.047 597 L C -0.371 176.475 176.870 -0.040 0.000 1.584 597 L CA 0.489 55.452 54.840 0.205 0.000 1.080 597 L CB -0.579 41.643 42.059 0.272 0.000 2.129 597 L HN 0.344 nan 8.230 nan 0.000 0.425 598 G N 1.631 110.330 108.800 -0.169 0.000 3.153 598 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.686 598 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.686 598 G C -0.465 174.237 174.900 -0.330 0.000 0.995 598 G CA 0.178 44.965 45.100 -0.521 0.000 0.783 598 G HN 0.758 nan 8.290 nan 0.000 0.551 599 N N 1.017 119.603 118.700 -0.190 0.000 3.490 599 N HA 0.323 5.063 4.740 -0.000 0.000 0.213 599 N C -0.518 174.956 175.510 -0.059 0.000 1.237 599 N CA 0.281 53.319 53.050 -0.020 0.000 1.142 599 N CB 1.135 39.702 38.487 0.133 0.000 1.246 599 N HN 0.609 nan 8.380 nan 0.000 0.684 600 D N 0.288 120.662 120.400 -0.044 0.000 2.881 600 D HA 0.196 4.836 4.640 -0.000 0.000 0.238 600 D C -0.551 175.735 176.300 -0.023 0.000 1.368 600 D CA -0.183 53.791 54.000 -0.043 0.000 0.871 600 D CB 0.239 41.027 40.800 -0.020 0.000 1.516 600 D HN 0.302 nan 8.370 nan 0.000 0.544 601 L N 1.293 122.495 121.223 -0.035 0.000 2.645 601 L HA 0.296 4.636 4.340 -0.000 0.000 0.234 601 L C 2.301 179.185 176.870 0.023 0.000 1.165 601 L CA -0.287 54.547 54.840 -0.010 0.000 0.944 601 L CB -0.185 41.861 42.059 -0.021 0.000 1.149 601 L HN -0.023 nan 8.230 nan 0.000 0.446 602 R N 0.736 121.255 120.500 0.031 0.000 2.072 602 R HA 0.015 4.355 4.340 -0.000 0.000 0.221 602 R C 1.904 178.230 176.300 0.043 0.000 1.166 602 R CA 1.303 57.442 56.100 0.065 0.000 0.917 602 R CB -0.733 29.600 30.300 0.054 0.000 0.815 602 R HN 0.220 nan 8.270 nan 0.000 0.444 603 V N 2.147 122.073 119.914 0.020 0.000 3.541 603 V HA -0.088 4.032 4.120 -0.000 0.000 0.272 603 V C -0.448 175.657 176.094 0.019 0.000 1.215 603 V CA 0.958 63.266 62.300 0.014 0.000 1.176 603 V CB -0.897 30.927 31.823 0.002 0.000 0.854 603 V HN 0.212 nan 8.190 nan 0.000 0.496 604 D N 0.973 121.386 120.400 0.022 0.000 2.460 604 D HA 0.533 5.173 4.640 -0.000 0.000 0.268 604 D C 0.881 177.195 176.300 0.023 0.000 1.153 604 D CA 0.860 54.874 54.000 0.023 0.000 0.929 604 D CB 0.824 41.636 40.800 0.020 0.000 1.015 604 D HN 0.250 nan 8.370 nan 0.000 0.502 605 G N 1.584 110.397 108.800 0.022 0.000 2.509 605 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.256 605 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.256 605 G C 0.654 175.550 174.900 -0.007 0.000 1.152 605 G CA 0.287 45.392 45.100 0.008 0.000 0.951 605 G HN 1.310 nan 8.290 nan 0.000 0.559 606 A N -1.174 121.629 122.820 -0.029 0.000 2.681 606 A HA 0.090 4.410 4.320 -0.000 0.000 0.304 606 A C 1.443 179.016 177.584 -0.019 0.000 1.516 606 A CA 2.340 54.359 52.037 -0.031 0.000 0.837 606 A CB -1.689 17.314 19.000 0.004 0.000 0.998 606 A HN 2.564 nan 8.150 nan 0.000 0.466 607 S N -1.196 114.468 115.700 -0.061 0.000 2.655 607 S HA 0.858 5.328 4.470 -0.000 0.000 0.265 607 S C 0.023 174.555 174.600 -0.114 0.000 1.240 607 S CA 0.290 58.452 58.200 -0.062 0.000 0.986 607 S CB 0.836 63.992 63.200 -0.073 0.000 0.985 607 S HN 1.812 nan 8.310 nan 0.000 0.562 608 I N 0.409 120.881 120.570 -0.163 0.000 2.397 608 I HA 0.289 4.459 4.170 -0.000 0.000 0.311 608 I C -2.436 173.351 176.117 -0.549 0.000 2.151 608 I CA -0.624 60.507 61.300 -0.281 0.000 0.931 608 I CB 0.889 38.790 38.000 -0.165 0.000 1.653 608 I HN 0.720 nan 8.210 nan 0.000 0.634 609 K N 6.934 126.984 120.400 -0.584 0.000 2.604 609 K HA 0.511 4.831 4.320 -0.000 0.000 0.247 609 K C -1.303 174.984 176.600 -0.522 0.000 0.956 609 K CA -0.298 55.617 56.287 -0.620 0.000 0.896 609 K CB 0.911 33.247 32.500 -0.273 0.000 1.131 609 K HN 0.303 nan 8.250 nan 0.000 0.440 610 F N 0.879 120.852 119.950 0.038 0.000 2.459 610 F HA 0.220 4.747 4.527 -0.000 0.000 0.346 610 F C 1.052 176.881 175.800 0.048 0.000 1.128 610 F CA -0.344 57.683 58.000 0.045 0.000 1.268 610 F CB 0.578 39.675 39.000 0.162 0.000 1.161 610 F HN 0.558 nan 8.300 nan 0.000 0.583 611 D N -0.339 120.180 120.400 0.198 0.000 2.932 611 D HA 0.120 4.760 4.640 -0.000 0.000 0.294 611 D C 0.320 176.713 176.300 0.154 0.000 1.119 611 D CA 0.676 54.753 54.000 0.129 0.000 0.980 611 D CB 0.643 41.478 40.800 0.057 0.000 1.361 611 D HN 0.402 nan 8.370 nan 0.000 0.466 612 S N -0.732 115.058 115.700 0.150 0.000 2.739 612 S HA 0.815 5.285 4.470 -0.000 0.000 0.306 612 S C -0.966 173.741 174.600 0.179 0.000 1.115 612 S CA -0.585 57.713 58.200 0.163 0.000 0.985 612 S CB 1.314 64.595 63.200 0.135 0.000 1.133 612 S HN 0.216 nan 8.310 nan 0.000 0.541 613 I N 1.230 121.914 120.570 0.189 0.000 2.640 613 I HA 0.144 4.314 4.170 -0.000 0.000 0.299 613 I C -0.816 175.470 176.117 0.281 0.000 1.716 613 I CA -0.306 61.074 61.300 0.134 0.000 1.181 613 I CB -0.894 37.127 38.000 0.036 0.000 1.643 613 I HN 0.807 nan 8.210 nan 0.000 0.475 614 C N 5.064 124.537 119.300 0.288 0.000 4.131 614 C HA 0.986 5.446 4.460 -0.000 0.000 0.187 614 C C -0.549 174.512 174.990 0.118 0.000 3.211 614 C CA -0.763 58.464 59.018 0.347 0.000 1.865 614 C CB 0.839 28.719 27.740 0.234 0.000 3.975 614 C HN 0.865 nan 8.230 nan 0.000 0.468 615 L N -0.099 121.002 121.223 -0.204 0.000 2.787 615 L HA 0.612 4.952 4.340 -0.000 0.000 0.260 615 L C -1.796 174.701 176.870 -0.623 0.000 0.921 615 L CA -0.083 54.450 54.840 -0.512 0.000 0.984 615 L CB 0.415 41.779 42.059 -1.158 0.000 1.519 615 L HN 0.698 nan 8.230 nan 0.000 0.452 616 Y N 3.225 123.213 120.300 -0.520 0.000 2.968 616 Y HA 1.029 5.579 4.550 -0.000 0.000 0.316 616 Y C 0.544 176.292 175.900 -0.254 0.000 1.359 616 Y CA -0.362 57.536 58.100 -0.337 0.000 1.107 616 Y CB 1.057 39.586 38.460 0.116 0.000 1.374 616 Y HN 0.962 nan 8.280 nan 0.000 0.621 617 A N -0.929 121.939 122.820 0.081 0.000 2.481 617 A HA 0.603 4.923 4.320 -0.000 0.000 0.295 617 A C -0.993 176.653 177.584 0.102 0.000 0.986 617 A CA -0.317 51.759 52.037 0.066 0.000 0.617 617 A CB 0.132 19.143 19.000 0.019 0.000 1.364 617 A HN 0.593 nan 8.150 nan 0.000 0.452 618 T N -0.896 113.731 114.554 0.121 0.000 2.644 618 T HA 0.952 5.302 4.350 -0.000 0.000 0.253 618 T C -0.681 174.185 174.700 0.277 0.000 0.910 618 T CA -0.295 61.900 62.100 0.159 0.000 1.066 618 T CB 0.774 69.713 68.868 0.118 0.000 1.484 618 T HN 1.408 nan 8.240 nan 0.000 0.560 619 F N -0.578 119.416 119.950 0.073 0.000 2.952 619 F HA 0.478 5.005 4.527 -0.000 0.000 0.329 619 F C -2.325 173.574 175.800 0.165 0.000 1.137 619 F CA -1.269 56.790 58.000 0.099 0.000 0.889 619 F CB 1.366 40.400 39.000 0.056 0.000 1.335 619 F HN 0.630 nan 8.300 nan 0.000 0.449 620 F N 5.865 126.064 119.950 0.415 0.000 2.499 620 F HA 0.551 5.078 4.527 -0.000 0.000 0.333 620 F C -2.376 173.627 175.800 0.338 0.000 1.138 620 F CA -2.145 56.013 58.000 0.263 0.000 0.945 620 F CB 1.821 40.874 39.000 0.089 0.000 1.181 620 F HN 0.047 nan 8.300 nan 0.000 0.435 621 P HA 0.035 nan 4.420 nan 0.000 0.267 621 P C -0.734 176.290 177.300 -0.459 0.000 1.328 621 P CA 0.125 62.998 63.100 -0.378 0.000 0.990 621 P CB 0.423 31.932 31.700 -0.318 0.000 1.168 622 M N 2.737 122.233 119.600 -0.173 0.000 2.792 622 M HA 0.849 5.329 4.480 -0.000 0.000 0.290 622 M C -1.267 175.019 176.300 -0.024 0.000 1.155 622 M CA -0.972 54.297 55.300 -0.052 0.000 0.781 622 M CB 1.800 34.467 32.600 0.112 0.000 1.741 622 M HN 0.157 nan 8.290 nan 0.000 0.473 623 A N -0.284 122.555 122.820 0.032 0.000 2.548 623 A HA 0.665 4.985 4.320 -0.000 0.000 0.262 623 A C 0.003 177.643 177.584 0.093 0.000 1.271 623 A CA -0.319 51.736 52.037 0.029 0.000 0.839 623 A CB 0.026 19.119 19.000 0.154 0.000 1.381 623 A HN 1.003 nan 8.150 nan 0.000 0.468 624 H N 0.923 120.016 119.070 0.038 0.000 2.556 624 H HA 0.051 4.607 4.556 -0.000 0.000 0.268 624 H C 0.588 175.941 175.328 0.042 0.000 0.996 624 H CA 0.640 56.713 56.048 0.041 0.000 1.157 624 H CB -0.706 29.075 29.762 0.032 0.000 1.355 624 H HN 0.587 nan 8.280 nan 0.000 0.597 625 N N 0.340 119.157 118.700 0.196 0.000 2.320 625 N HA 0.029 4.769 4.740 -0.000 0.000 0.237 625 N C -0.142 175.426 175.510 0.097 0.000 1.129 625 N CA 0.762 53.879 53.050 0.111 0.000 0.854 625 N CB 0.609 39.148 38.487 0.087 0.000 1.083 625 N HN 0.407 nan 8.380 nan 0.000 0.504 626 T N -3.852 110.768 114.554 0.110 0.000 3.904 626 T HA 0.166 4.516 4.350 -0.000 0.000 0.301 626 T C 1.776 176.539 174.700 0.105 0.000 0.910 626 T CA 0.453 62.614 62.100 0.101 0.000 1.207 626 T CB -0.679 68.258 68.868 0.115 0.000 1.036 626 T HN 0.084 nan 8.240 nan 0.000 0.462 627 A N 1.478 124.366 122.820 0.115 0.000 2.023 627 A HA -0.080 4.240 4.320 -0.000 0.000 0.223 627 A C 2.186 179.832 177.584 0.102 0.000 1.180 627 A CA 2.496 54.598 52.037 0.110 0.000 0.659 627 A CB -0.842 18.209 19.000 0.085 0.000 0.817 627 A HN 0.506 nan 8.150 nan 0.000 0.466 628 S N -2.763 113.000 115.700 0.105 0.000 2.666 628 S HA 0.131 4.601 4.470 -0.000 0.000 0.239 628 S C 1.407 176.053 174.600 0.076 0.000 1.031 628 S CA 0.462 58.717 58.200 0.091 0.000 1.015 628 S CB 0.161 63.420 63.200 0.098 0.000 0.981 628 S HN 0.676 nan 8.310 nan 0.000 0.547 629 T N 2.384 116.983 114.554 0.075 0.000 2.824 629 T HA 0.139 4.489 4.350 -0.000 0.000 0.238 629 T C 0.909 175.642 174.700 0.055 0.000 1.067 629 T CA 0.462 62.598 62.100 0.060 0.000 1.286 629 T CB -0.232 68.670 68.868 0.057 0.000 0.980 629 T HN 0.079 nan 8.240 nan 0.000 0.414 630 L N 2.451 123.707 121.223 0.055 0.000 2.933 630 L HA 0.185 4.525 4.340 -0.000 0.000 0.258 630 L C 1.089 177.992 176.870 0.055 0.000 1.253 630 L CA 0.858 55.726 54.840 0.048 0.000 1.096 630 L CB -1.456 40.629 42.059 0.043 0.000 1.432 630 L HN 0.398 nan 8.230 nan 0.000 0.418 631 E N 0.460 120.698 120.200 0.062 0.000 2.947 631 E HA 0.393 4.743 4.350 -0.000 0.000 0.229 631 E C 0.354 176.995 176.600 0.068 0.000 1.158 631 E CA 0.080 56.522 56.400 0.070 0.000 1.441 631 E CB 0.442 30.188 29.700 0.077 0.000 1.414 631 E HN 0.314 nan 8.360 nan 0.000 0.432 632 A N 1.059 123.915 122.820 0.061 0.000 2.377 632 A HA 0.052 4.372 4.320 -0.000 0.000 0.219 632 A C 0.646 178.260 177.584 0.049 0.000 2.798 632 A CA -0.152 51.921 52.037 0.061 0.000 1.596 632 A CB -0.464 18.571 19.000 0.059 0.000 0.371 632 A HN 0.341 nan 8.150 nan 0.000 0.580 633 M N -0.803 118.820 119.600 0.039 0.000 2.615 633 M HA 0.389 4.869 4.480 -0.000 0.000 0.262 633 M C 1.294 177.602 176.300 0.013 0.000 1.198 633 M CA 1.138 56.453 55.300 0.024 0.000 1.165 633 M CB 0.247 32.858 32.600 0.018 0.000 1.310 633 M HN 0.332 nan 8.290 nan 0.000 0.494 634 L N 0.259 121.492 121.223 0.016 0.000 2.307 634 L HA 0.129 4.469 4.340 -0.000 0.000 0.211 634 L C 1.311 178.183 176.870 0.003 0.000 1.099 634 L CA 1.093 55.932 54.840 -0.001 0.000 0.816 634 L CB -0.657 41.405 42.059 0.005 0.000 0.952 634 L HN 0.271 nan 8.230 nan 0.000 0.455 635 R N 1.228 121.754 120.500 0.044 0.000 2.400 635 R HA -0.031 4.309 4.340 -0.000 0.000 0.207 635 R C -0.294 176.053 176.300 0.078 0.000 1.192 635 R CA 0.072 56.225 56.100 0.088 0.000 1.181 635 R CB -0.544 29.820 30.300 0.107 0.000 0.947 635 R HN 0.463 nan 8.270 nan 0.000 0.479 636 N N -0.013 118.681 118.700 -0.010 0.000 2.815 636 N HA 0.042 4.782 4.740 -0.000 0.000 0.315 636 N C 0.595 175.956 175.510 -0.248 0.000 1.320 636 N CA -0.424 52.590 53.050 -0.060 0.000 0.846 636 N CB 1.043 39.513 38.487 -0.028 0.000 1.344 636 N HN -0.004 nan 8.380 nan 0.000 0.593 637 D N -2.031 118.232 120.400 -0.229 0.000 2.615 637 D HA -0.012 4.628 4.640 -0.000 0.000 0.259 637 D C 0.988 177.212 176.300 -0.127 0.000 0.999 637 D CA 0.724 54.561 54.000 -0.272 0.000 0.938 637 D CB -0.385 40.282 40.800 -0.222 0.000 1.121 637 D HN 0.467 nan 8.370 nan 0.000 0.487 638 T N -0.550 113.960 114.554 -0.072 0.000 2.685 638 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 638 T C 0.795 175.466 174.700 -0.049 0.000 1.034 638 T CA 1.181 63.255 62.100 -0.044 0.000 1.149 638 T CB -1.049 67.804 68.868 -0.026 0.000 0.860 638 T HN 0.185 nan 8.240 nan 0.000 0.449 639 N N 1.877 120.543 118.700 -0.056 0.000 2.422 639 N HA 0.297 5.037 4.740 -0.000 0.000 0.264 639 N C -1.497 173.975 175.510 -0.063 0.000 1.063 639 N CA -0.210 52.811 53.050 -0.048 0.000 0.959 639 N CB 0.490 38.957 38.487 -0.034 0.000 1.087 639 N HN 0.225 nan 8.380 nan 0.000 0.483 640 D N 1.165 121.539 120.400 -0.043 0.000 2.706 640 D HA 0.051 4.691 4.640 -0.000 0.000 0.227 640 D C -0.842 175.462 176.300 0.007 0.000 1.233 640 D CA -0.555 53.423 54.000 -0.036 0.000 0.768 640 D CB 1.209 41.972 40.800 -0.062 0.000 1.490 640 D HN 0.324 nan 8.370 nan 0.000 0.458 641 Q N 0.447 120.273 119.800 0.042 0.000 2.392 641 Q HA 0.404 4.744 4.340 -0.000 0.000 0.262 641 Q C 0.030 176.125 176.000 0.157 0.000 1.003 641 Q CA 0.191 56.097 55.803 0.172 0.000 0.888 641 Q CB 1.288 30.129 28.738 0.172 0.000 1.260 641 Q HN 0.429 nan 8.270 nan 0.000 0.435 642 S N 1.939 117.771 115.700 0.221 0.000 2.689 642 S HA 0.579 5.049 4.470 -0.000 0.000 0.274 642 S C -1.536 173.084 174.600 0.033 0.000 1.176 642 S CA -0.735 57.532 58.200 0.112 0.000 1.014 642 S CB 0.367 63.570 63.200 0.004 0.000 1.071 642 S HN 0.337 nan 8.310 nan 0.000 0.478 643 F N 2.669 122.493 119.950 -0.210 0.000 2.493 643 F HA 0.473 5.000 4.527 -0.000 0.000 0.329 643 F C 0.838 176.557 175.800 -0.133 0.000 1.126 643 F CA -1.032 56.795 58.000 -0.288 0.000 0.937 643 F CB 1.577 40.243 39.000 -0.557 0.000 1.146 643 F HN 0.776 nan 8.300 nan 0.000 0.442 644 N N 2.252 120.960 118.700 0.013 0.000 2.106 644 N HA -0.195 4.545 4.740 -0.000 0.000 0.284 644 N C -0.492 175.226 175.510 0.347 0.000 1.388 644 N CA 0.193 53.318 53.050 0.125 0.000 0.944 644 N CB -0.080 38.420 38.487 0.022 0.000 1.333 644 N HN 0.508 nan 8.380 nan 0.000 0.489 645 D N 3.384 124.025 120.400 0.401 0.000 2.943 645 D HA -0.020 4.620 4.640 -0.000 0.000 0.249 645 D C 0.697 177.077 176.300 0.133 0.000 1.231 645 D CA -0.418 53.736 54.000 0.256 0.000 0.979 645 D CB -0.132 40.667 40.800 -0.001 0.000 1.053 645 D HN 0.458 nan 8.370 nan 0.000 0.504 646 Y N 2.261 122.558 120.300 -0.005 0.000 2.053 646 Y HA -0.250 4.300 4.550 -0.000 0.000 0.277 646 Y C 1.810 177.626 175.900 -0.139 0.000 1.159 646 Y CA 1.770 59.830 58.100 -0.067 0.000 1.125 646 Y CB -0.978 37.459 38.460 -0.039 0.000 0.969 646 Y HN 0.360 nan 8.280 nan 0.000 0.492 647 L N 0.767 121.907 121.223 -0.139 0.000 2.123 647 L HA -0.302 4.038 4.340 -0.000 0.000 0.217 647 L C 2.031 178.737 176.870 -0.273 0.000 1.081 647 L CA 2.525 57.186 54.840 -0.298 0.000 0.772 647 L CB -0.946 40.993 42.059 -0.199 0.000 0.890 647 L HN 0.371 nan 8.230 nan 0.000 0.437 648 S N -0.880 114.681 115.700 -0.232 0.000 3.155 648 S HA -0.266 4.204 4.470 -0.000 0.000 0.356 648 S C 0.409 174.802 174.600 -0.345 0.000 1.181 648 S CA 0.631 58.646 58.200 -0.308 0.000 1.001 648 S CB -1.285 61.642 63.200 -0.454 0.000 0.944 648 S HN 0.997 nan 8.310 nan 0.000 0.597 649 A N -0.377 122.272 122.820 -0.285 0.000 2.435 649 A HA 0.914 5.234 4.320 -0.000 0.000 0.296 649 A C -0.313 177.162 177.584 -0.182 0.000 1.147 649 A CA -0.013 51.874 52.037 -0.251 0.000 0.775 649 A CB 1.867 20.717 19.000 -0.250 0.000 1.340 649 A HN 1.324 nan 8.150 nan 0.000 0.427 650 A N 1.752 124.478 122.820 -0.156 0.000 2.768 650 A HA 0.510 4.830 4.320 -0.000 0.000 0.299 650 A C 0.233 177.747 177.584 -0.116 0.000 1.171 650 A CA -0.800 51.169 52.037 -0.115 0.000 0.759 650 A CB -0.076 18.863 19.000 -0.103 0.000 1.267 650 A HN 0.797 nan 8.150 nan 0.000 0.421 651 N N 2.110 120.762 118.700 -0.080 0.000 2.234 651 N HA -0.084 4.656 4.740 -0.000 0.000 0.211 651 N C 0.825 176.243 175.510 -0.153 0.000 1.171 651 N CA 1.291 54.288 53.050 -0.089 0.000 0.862 651 N CB -0.180 38.412 38.487 0.175 0.000 0.860 651 N HN 1.413 nan 8.380 nan 0.000 0.356 652 M N -0.767 118.767 119.600 -0.110 0.000 4.018 652 M HA -0.110 4.370 4.480 -0.000 0.000 0.158 652 M C -2.010 174.066 176.300 -0.375 0.000 1.525 652 M CA -0.105 55.068 55.300 -0.211 0.000 1.088 652 M CB -1.171 31.287 32.600 -0.237 0.000 1.348 652 M HN 0.258 nan 8.290 nan 0.000 0.229 653 L N 3.490 124.558 121.223 -0.259 0.000 2.479 653 L HA 0.595 4.935 4.340 -0.000 0.000 0.248 653 L C 0.135 176.737 176.870 -0.446 0.000 1.205 653 L CA -0.017 54.665 54.840 -0.264 0.000 0.817 653 L CB 0.102 42.112 42.059 -0.081 0.000 1.162 653 L HN 0.777 nan 8.230 nan 0.000 0.486 654 Y N -1.086 119.210 120.300 -0.006 0.000 2.597 654 Y HA 0.332 4.882 4.550 -0.000 0.000 0.340 654 Y C -2.068 173.827 175.900 -0.008 0.000 1.097 654 Y CA -2.013 56.082 58.100 -0.008 0.000 1.037 654 Y CB 2.776 41.230 38.460 -0.010 0.000 1.305 654 Y HN 0.453 nan 8.280 nan 0.000 0.463 655 P HA 0.192 nan 4.420 nan 0.000 0.270 655 P C -0.917 176.425 177.300 0.070 0.000 1.223 655 P CA 0.404 63.566 63.100 0.103 0.000 0.785 655 P CB 1.541 33.279 31.700 0.065 0.000 0.923 656 I N 1.601 122.200 120.570 0.048 0.000 2.667 656 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 656 I C -2.505 173.630 176.117 0.029 0.000 1.267 656 I CA -2.390 58.929 61.300 0.032 0.000 1.055 656 I CB 2.604 40.620 38.000 0.027 0.000 1.294 656 I HN 0.145 nan 8.210 nan 0.000 0.429 657 P HA -0.028 nan 4.420 nan 0.000 0.271 657 P C 0.429 177.742 177.300 0.022 0.000 1.212 657 P CA 0.153 63.266 63.100 0.023 0.000 0.788 657 P CB 0.678 32.390 31.700 0.021 0.000 0.865 658 A N 1.329 124.160 122.820 0.019 0.000 2.209 658 A HA -0.065 4.255 4.320 -0.000 0.000 0.212 658 A C 0.835 178.431 177.584 0.020 0.000 1.158 658 A CA 1.218 53.264 52.037 0.016 0.000 0.742 658 A CB -0.788 18.218 19.000 0.010 0.000 0.790 658 A HN 0.625 nan 8.150 nan 0.000 0.472 659 N N -2.581 116.134 118.700 0.024 0.000 3.167 659 N HA 0.673 5.413 4.740 -0.000 0.000 0.323 659 N C -1.207 174.323 175.510 0.034 0.000 1.478 659 N CA -0.293 52.774 53.050 0.029 0.000 0.753 659 N CB 1.630 40.133 38.487 0.026 0.000 1.721 659 N HN 0.106 nan 8.380 nan 0.000 0.618 660 A N 0.041 122.884 122.820 0.038 0.000 2.497 660 A HA 0.406 4.726 4.320 -0.000 0.000 0.280 660 A C -0.563 177.048 177.584 0.045 0.000 1.065 660 A CA -0.268 51.797 52.037 0.046 0.000 0.781 660 A CB 1.209 20.243 19.000 0.056 0.000 1.289 660 A HN 0.494 nan 8.150 nan 0.000 0.415 661 T N 1.611 116.191 114.554 0.044 0.000 3.200 661 T HA 0.462 4.812 4.350 -0.000 0.000 0.284 661 T C 0.099 174.827 174.700 0.047 0.000 1.009 661 T CA 0.477 62.601 62.100 0.040 0.000 0.907 661 T CB -1.155 67.732 68.868 0.032 0.000 1.120 661 T HN 0.933 nan 8.240 nan 0.000 0.534 662 N N -1.862 116.875 118.700 0.062 0.000 6.061 662 N HA -0.056 4.684 4.740 -0.000 0.000 0.355 662 N C -1.561 174.007 175.510 0.095 0.000 1.346 662 N CA -0.300 52.797 53.050 0.080 0.000 1.608 662 N CB -0.079 38.446 38.487 0.063 0.000 1.283 662 N HN -0.068 nan 8.380 nan 0.000 0.471 663 V N 1.338 121.337 119.914 0.142 0.000 2.575 663 V HA 0.337 4.457 4.120 -0.000 0.000 0.281 663 V C -2.477 173.730 176.094 0.188 0.000 1.087 663 V CA -0.649 61.734 62.300 0.138 0.000 1.193 663 V CB 0.618 32.512 31.823 0.118 0.000 1.426 663 V HN 0.427 nan 8.190 nan 0.000 0.623 664 P HA 0.308 nan 4.420 nan 0.000 0.265 664 P C -0.299 177.051 177.300 0.084 0.000 1.222 664 P CA 0.588 63.755 63.100 0.112 0.000 0.767 664 P CB 0.651 32.392 31.700 0.068 0.000 0.801 665 I N 1.221 121.857 120.570 0.110 0.000 3.217 665 I HA 0.600 4.770 4.170 -0.000 0.000 0.308 665 I C 0.274 176.430 176.117 0.066 0.000 1.091 665 I CA -0.562 60.787 61.300 0.082 0.000 1.013 665 I CB 1.547 39.621 38.000 0.123 0.000 1.250 665 I HN 0.077 nan 8.210 nan 0.000 0.496 666 S N 2.595 118.330 115.700 0.058 0.000 2.511 666 S HA 0.483 4.953 4.470 -0.000 0.000 0.283 666 S C -0.940 173.701 174.600 0.067 0.000 1.078 666 S CA -0.613 57.619 58.200 0.053 0.000 0.994 666 S CB 0.646 63.866 63.200 0.035 0.000 1.171 666 S HN 0.401 nan 8.310 nan 0.000 0.444 667 I N 1.790 122.414 120.570 0.089 0.000 2.863 667 I HA 0.689 4.859 4.170 -0.000 0.000 0.311 667 I C -2.103 174.104 176.117 0.150 0.000 1.026 667 I CA -2.636 58.742 61.300 0.131 0.000 1.077 667 I CB 0.077 38.170 38.000 0.155 0.000 1.262 667 I HN 0.314 nan 8.210 nan 0.000 0.461 668 P HA 0.212 nan 4.420 nan 0.000 0.327 668 P C 0.019 177.470 177.300 0.253 0.000 1.342 668 P CA 0.003 63.219 63.100 0.193 0.000 0.761 668 P CB 0.396 32.219 31.700 0.205 0.000 1.675 669 S N -1.775 114.014 115.700 0.147 0.000 3.884 669 S HA 0.546 5.016 4.470 -0.000 0.000 0.212 669 S C 0.081 174.457 174.600 -0.373 0.000 1.037 669 S CA -0.386 57.791 58.200 -0.039 0.000 1.611 669 S CB -0.278 62.819 63.200 -0.171 0.000 0.898 669 S HN 0.648 nan 8.310 nan 0.000 0.672 670 R N 0.994 121.089 120.500 -0.674 0.000 3.528 670 R HA -0.141 4.199 4.340 -0.000 0.000 0.389 670 R C -1.775 173.894 176.300 -1.051 0.000 0.757 670 R CA 0.556 56.049 56.100 -1.012 0.000 1.197 670 R CB -0.984 28.183 30.300 -1.889 0.000 2.101 670 R HN 0.938 nan 8.270 nan 0.000 0.473 671 N N 2.899 121.201 118.700 -0.664 0.000 2.466 671 N HA 0.218 4.958 4.740 -0.000 0.000 0.263 671 N C -0.283 175.181 175.510 -0.077 0.000 1.178 671 N CA -0.066 52.781 53.050 -0.337 0.000 0.983 671 N CB 0.110 38.503 38.487 -0.156 0.000 1.331 671 N HN 0.532 nan 8.380 nan 0.000 0.500 672 W N 1.454 122.875 121.300 0.202 0.000 2.637 672 W HA 0.715 5.375 4.660 -0.000 0.000 0.420 672 W C -0.138 176.589 176.519 0.347 0.000 0.766 672 W CA -2.405 55.161 57.345 0.367 0.000 2.499 672 W CB -1.207 28.508 29.460 0.424 0.000 1.395 672 W HN 0.438 nan 8.180 nan 0.000 0.802 673 A N 1.956 125.118 122.820 0.570 0.000 2.475 673 A HA 0.498 4.818 4.320 -0.000 0.000 0.239 673 A C 1.257 179.144 177.584 0.505 0.000 1.087 673 A CA 0.504 52.868 52.037 0.546 0.000 0.779 673 A CB -0.492 18.717 19.000 0.348 0.000 1.036 673 A HN 1.842 nan 8.150 nan 0.000 0.506 674 A N -1.026 122.057 122.820 0.438 0.000 1.478 674 A HA 0.052 4.372 4.320 -0.000 0.000 0.209 674 A C -0.511 177.442 177.584 0.615 0.000 1.187 674 A CA 0.992 53.187 52.037 0.264 0.000 0.583 674 A CB -1.777 17.169 19.000 -0.090 0.000 1.272 674 A HN 2.090 nan 8.150 nan 0.000 0.177 675 F N 4.011 124.370 119.950 0.681 0.000 3.051 675 F HA 0.449 4.976 4.527 -0.000 0.000 0.363 675 F C 0.615 176.610 175.800 0.325 0.000 1.257 675 F CA -0.517 57.761 58.000 0.464 0.000 1.126 675 F CB 0.887 39.700 39.000 -0.311 0.000 1.476 675 F HN 0.860 nan 8.300 nan 0.000 0.576 676 R N 1.686 121.986 120.500 -0.332 0.000 3.371 676 R HA 0.085 4.425 4.340 -0.000 0.000 0.268 676 R C 1.093 177.019 176.300 -0.624 0.000 1.028 676 R CA 0.830 56.576 56.100 -0.589 0.000 1.150 676 R CB -0.154 29.553 30.300 -0.988 0.000 1.064 676 R HN 0.825 nan 8.270 nan 0.000 0.503 677 G N -0.497 107.946 108.800 -0.595 0.000 2.393 677 G HA2 0.024 3.984 3.960 -0.000 0.000 0.268 677 G HA3 0.024 3.984 3.960 -0.000 0.000 0.268 677 G C -0.707 173.745 174.900 -0.747 0.000 1.472 677 G CA -0.248 44.378 45.100 -0.789 0.000 1.059 677 G HN 0.546 nan 8.290 nan 0.000 0.555 678 W N -2.750 118.593 121.300 0.072 0.000 3.248 678 W HA 0.628 5.288 4.660 -0.000 0.000 0.311 678 W C -0.183 176.458 176.519 0.203 0.000 1.258 678 W CA -0.651 56.818 57.345 0.207 0.000 1.191 678 W CB 1.292 30.917 29.460 0.275 0.000 1.389 678 W HN 0.912 nan 8.180 nan 0.000 0.561 679 A N 1.654 124.736 122.820 0.436 0.000 2.601 679 A HA 0.923 5.243 4.320 -0.000 0.000 0.291 679 A C -1.762 175.902 177.584 0.134 0.000 1.075 679 A CA -0.632 51.532 52.037 0.210 0.000 0.671 679 A CB 1.845 20.770 19.000 -0.125 0.000 1.277 679 A HN 1.011 nan 8.150 nan 0.000 0.417 680 F N -2.257 117.623 119.950 -0.116 0.000 3.250 680 F HA 0.906 5.433 4.527 -0.000 0.000 0.326 680 F C -0.628 175.185 175.800 0.023 0.000 1.154 680 F CA -0.361 57.551 58.000 -0.145 0.000 0.870 680 F CB 0.888 39.833 39.000 -0.093 0.000 1.476 680 F HN 1.067 nan 8.300 nan 0.000 0.491 681 T N 1.212 115.880 114.554 0.190 0.000 3.510 681 T HA 0.160 4.510 4.350 -0.000 0.000 0.438 681 T C -0.683 174.115 174.700 0.162 0.000 1.204 681 T CA -0.996 61.137 62.100 0.055 0.000 1.043 681 T CB 0.549 69.189 68.868 -0.380 0.000 1.406 681 T HN 0.970 nan 8.240 nan 0.000 0.427 682 R N 1.469 122.107 120.500 0.231 0.000 3.011 682 R HA 0.372 4.712 4.340 -0.000 0.000 0.283 682 R C 0.418 176.740 176.300 0.037 0.000 0.990 682 R CA 0.544 56.721 56.100 0.129 0.000 1.178 682 R CB 0.102 30.486 30.300 0.140 0.000 1.136 682 R HN 0.556 nan 8.270 nan 0.000 0.500 683 L N -1.042 120.175 121.223 -0.009 0.000 2.731 683 L HA 0.456 4.796 4.340 -0.000 0.000 0.240 683 L C -1.117 175.707 176.870 -0.078 0.000 1.041 683 L CA -1.057 53.746 54.840 -0.061 0.000 1.198 683 L CB 0.978 42.983 42.059 -0.091 0.000 1.597 683 L HN 0.460 nan 8.230 nan 0.000 0.401 684 K N -0.348 120.008 120.400 -0.073 0.000 2.651 684 K HA 0.262 4.582 4.320 -0.000 0.000 0.259 684 K C -0.510 176.089 176.600 -0.002 0.000 1.017 684 K CA -0.365 55.884 56.287 -0.063 0.000 0.897 684 K CB 1.777 34.192 32.500 -0.142 0.000 1.262 684 K HN 0.458 nan 8.250 nan 0.000 0.460 685 T N 0.658 115.242 114.554 0.049 0.000 3.003 685 T HA -0.241 4.109 4.350 -0.000 0.000 0.270 685 T C 1.382 176.196 174.700 0.189 0.000 1.153 685 T CA 1.624 63.811 62.100 0.144 0.000 1.089 685 T CB -0.114 68.875 68.868 0.202 0.000 0.838 685 T HN 0.550 nan 8.240 nan 0.000 0.562 686 K N 1.652 122.110 120.400 0.096 0.000 2.183 686 K HA 0.016 4.336 4.320 -0.000 0.000 0.218 686 K C 1.450 178.150 176.600 0.166 0.000 1.025 686 K CA 0.373 56.723 56.287 0.105 0.000 0.944 686 K CB 0.149 32.656 32.500 0.011 0.000 0.936 686 K HN 0.285 nan 8.250 nan 0.000 0.460 687 E N 0.962 121.154 120.200 -0.013 0.000 2.352 687 E HA 0.031 4.381 4.350 -0.000 0.000 0.197 687 E C -1.096 175.595 176.600 0.153 0.000 1.224 687 E CA 0.263 56.660 56.400 -0.004 0.000 1.118 687 E CB 0.071 29.320 29.700 -0.750 0.000 1.198 687 E HN 0.130 nan 8.360 nan 0.000 0.454 688 T N 0.824 115.495 114.554 0.195 0.000 3.583 688 T HA 0.134 4.484 4.350 -0.000 0.000 0.274 688 T C -2.657 172.147 174.700 0.175 0.000 0.698 688 T CA -1.228 60.958 62.100 0.143 0.000 1.262 688 T CB 1.022 69.917 68.868 0.045 0.000 1.000 688 T HN 0.004 nan 8.240 nan 0.000 0.528 689 P HA 0.182 nan 4.420 nan 0.000 0.300 689 P C 0.877 178.206 177.300 0.049 0.000 1.294 689 P CA -0.142 63.093 63.100 0.226 0.000 0.757 689 P CB 0.697 32.502 31.700 0.175 0.000 1.377 690 S N -1.590 114.028 115.700 -0.138 0.000 3.320 690 S HA 0.232 4.702 4.470 -0.000 0.000 0.185 690 S C 0.996 175.517 174.600 -0.132 0.000 1.028 690 S CA 0.346 58.345 58.200 -0.336 0.000 1.641 690 S CB -0.683 62.096 63.200 -0.702 0.000 0.630 690 S HN 0.409 nan 8.310 nan 0.000 0.555 691 L N -1.062 120.087 121.223 -0.123 0.000 4.379 691 L HA 0.406 4.746 4.340 -0.000 0.000 0.437 691 L C 0.977 177.819 176.870 -0.046 0.000 0.984 691 L CA 0.493 55.298 54.840 -0.058 0.000 1.693 691 L CB -0.184 41.848 42.059 -0.044 0.000 1.966 691 L HN 0.625 nan 8.230 nan 0.000 0.629 692 G N 0.227 108.991 108.800 -0.060 0.000 3.102 692 G HA2 0.440 4.400 3.960 -0.000 0.000 0.264 692 G HA3 0.440 4.400 3.960 -0.000 0.000 0.264 692 G C -0.021 174.875 174.900 -0.005 0.000 0.788 692 G CA 0.861 45.941 45.100 -0.033 0.000 2.029 692 G HN 0.281 nan 8.290 nan 0.000 0.608 693 S N -0.847 114.856 115.700 0.005 0.000 4.267 693 S HA 0.734 5.204 4.470 -0.000 0.000 0.252 693 S C 1.016 175.654 174.600 0.064 0.000 1.024 693 S CA 0.301 58.524 58.200 0.038 0.000 1.207 693 S CB 0.649 63.880 63.200 0.052 0.000 1.873 693 S HN 1.216 nan 8.310 nan 0.000 0.562 694 G N -0.587 108.282 108.800 0.115 0.000 3.272 694 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.219 694 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.219 694 G C -0.089 174.995 174.900 0.307 0.000 0.952 694 G CA 0.267 45.528 45.100 0.269 0.000 0.833 694 G HN 0.542 nan 8.290 nan 0.000 0.608 695 Y N 0.621 120.899 120.300 -0.038 0.000 2.515 695 Y HA 0.263 4.813 4.550 -0.000 0.000 0.267 695 Y C 0.470 176.351 175.900 -0.031 0.000 1.058 695 Y CA -0.041 57.999 58.100 -0.100 0.000 1.231 695 Y CB 1.008 39.257 38.460 -0.353 0.000 1.350 695 Y HN 0.109 nan 8.280 nan 0.000 0.554 696 D N 2.700 123.204 120.400 0.174 0.000 6.987 696 D HA -0.167 4.473 4.640 -0.000 0.000 0.083 696 D C -2.158 174.275 176.300 0.222 0.000 0.967 696 D CA 0.461 54.555 54.000 0.157 0.000 0.738 696 D CB 0.842 41.708 40.800 0.111 0.000 1.484 696 D HN 0.210 nan 8.370 nan 0.000 0.835 697 P HA -0.019 nan 4.420 nan 0.000 0.249 697 P C 0.743 178.134 177.300 0.152 0.000 1.229 697 P CA 0.350 63.525 63.100 0.124 0.000 0.788 697 P CB 0.023 31.751 31.700 0.046 0.000 1.072 698 Y N -0.641 119.726 120.300 0.110 0.000 2.546 698 Y HA 0.115 4.665 4.550 -0.000 0.000 0.287 698 Y C 0.706 176.721 175.900 0.191 0.000 1.158 698 Y CA 0.344 58.511 58.100 0.112 0.000 1.307 698 Y CB 0.089 38.601 38.460 0.087 0.000 1.036 698 Y HN -0.043 nan 8.280 nan 0.000 0.532 699 Y N -1.015 119.388 120.300 0.172 0.000 2.470 699 Y HA 0.466 5.016 4.550 -0.000 0.000 0.341 699 Y C -0.333 175.647 175.900 0.133 0.000 1.021 699 Y CA -0.593 57.597 58.100 0.150 0.000 1.025 699 Y CB 1.686 40.247 38.460 0.169 0.000 1.266 699 Y HN -0.088 nan 8.280 nan 0.000 0.448 700 T N 1.030 115.513 114.554 -0.118 0.000 3.769 700 T HA 0.030 4.380 4.350 -0.000 0.000 0.317 700 T C -0.195 174.302 174.700 -0.339 0.000 0.931 700 T CA -0.165 61.836 62.100 -0.164 0.000 1.005 700 T CB -0.891 67.964 68.868 -0.021 0.000 1.202 700 T HN 0.785 nan 8.240 nan 0.000 0.501 701 Y N 2.854 122.662 120.300 -0.819 0.000 2.540 701 Y HA 0.417 4.967 4.550 -0.000 0.000 0.240 701 Y C 1.699 177.321 175.900 -0.462 0.000 1.003 701 Y CA 1.679 59.471 58.100 -0.514 0.000 1.018 701 Y CB -0.185 38.032 38.460 -0.405 0.000 1.043 701 Y HN 0.308 nan 8.280 nan 0.000 0.471 702 S N -2.277 113.083 115.700 -0.567 0.000 7.388 702 S HA 0.024 4.494 4.470 -0.000 0.000 0.037 702 S C 0.863 175.500 174.600 0.061 0.000 1.526 702 S CA -0.029 58.005 58.200 -0.277 0.000 0.959 702 S CB -1.677 61.293 63.200 -0.384 0.000 0.855 702 S HN 0.846 nan 8.310 nan 0.000 0.538 703 G N 2.803 111.532 108.800 -0.119 0.000 2.190 703 G HA2 0.217 4.177 3.960 -0.000 0.000 0.295 703 G HA3 0.217 4.177 3.960 -0.000 0.000 0.295 703 G C 0.085 175.260 174.900 0.458 0.000 1.507 703 G CA 0.636 45.925 45.100 0.316 0.000 1.034 703 G HN 1.146 nan 8.290 nan 0.000 0.483 704 S N 0.286 116.246 115.700 0.433 0.000 2.430 704 S HA 0.461 4.931 4.470 -0.000 0.000 0.282 704 S C 0.003 174.702 174.600 0.166 0.000 1.186 704 S CA -0.342 57.990 58.200 0.220 0.000 1.060 704 S CB 0.450 63.724 63.200 0.123 0.000 0.966 704 S HN 0.385 nan 8.310 nan 0.000 0.501 705 I N 3.174 123.814 120.570 0.117 0.000 2.498 705 I HA 0.348 4.518 4.170 -0.000 0.000 0.301 705 I C -2.254 173.877 176.117 0.024 0.000 0.984 705 I CA -3.031 58.317 61.300 0.081 0.000 1.204 705 I CB 1.493 39.562 38.000 0.114 0.000 1.362 705 I HN 0.303 nan 8.210 nan 0.000 0.471 706 P HA 0.087 nan 4.420 nan 0.000 0.228 706 P C -0.710 176.455 177.300 -0.225 0.000 1.748 706 P CA 0.553 63.611 63.100 -0.069 0.000 0.909 706 P CB -0.158 31.608 31.700 0.110 0.000 1.882 707 Y N -0.623 119.520 120.300 -0.261 0.000 3.274 707 Y HA 0.207 4.757 4.550 -0.000 0.000 0.174 707 Y C 1.665 177.431 175.900 -0.223 0.000 0.880 707 Y CA 0.148 58.090 58.100 -0.263 0.000 1.793 707 Y CB -0.658 37.690 38.460 -0.186 0.000 1.409 707 Y HN -0.195 nan 8.280 nan 0.000 0.368 708 L N 1.171 122.409 121.223 0.024 0.000 2.013 708 L HA -0.080 4.260 4.340 -0.000 0.000 0.204 708 L C 2.018 178.819 176.870 -0.116 0.000 1.081 708 L CA 2.290 57.084 54.840 -0.076 0.000 0.751 708 L CB -0.957 41.039 42.059 -0.105 0.000 0.901 708 L HN 0.372 nan 8.230 nan 0.000 0.440 709 D N -0.152 120.176 120.400 -0.120 0.000 2.220 709 D HA -0.204 4.436 4.640 -0.000 0.000 0.198 709 D C 1.237 177.393 176.300 -0.240 0.000 1.001 709 D CA 1.157 55.075 54.000 -0.136 0.000 0.875 709 D CB -0.566 40.164 40.800 -0.118 0.000 0.921 709 D HN 0.478 nan 8.370 nan 0.000 0.454 710 G N 1.438 110.019 108.800 -0.366 0.000 2.353 710 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.294 710 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.294 710 G C 0.225 174.601 174.900 -0.874 0.000 1.077 710 G CA 0.515 45.225 45.100 -0.649 0.000 1.098 710 G HN 0.687 nan 8.290 nan 0.000 0.511 711 T N -1.548 112.471 114.554 -0.892 0.000 3.410 711 T HA 0.636 4.986 4.350 -0.000 0.000 0.328 711 T C 0.470 174.700 174.700 -0.783 0.000 1.567 711 T CA -0.689 60.897 62.100 -0.856 0.000 1.626 711 T CB -0.146 68.280 68.868 -0.737 0.000 0.939 711 T HN 0.596 nan 8.240 nan 0.000 0.656 712 F N 0.496 120.230 119.950 -0.359 0.000 2.299 712 F HA 0.498 5.025 4.527 -0.000 0.000 0.293 712 F C 1.308 176.936 175.800 -0.286 0.000 1.252 712 F CA -1.149 56.749 58.000 -0.171 0.000 1.160 712 F CB 0.354 39.336 39.000 -0.031 0.000 1.405 712 F HN 0.258 nan 8.300 nan 0.000 0.517 713 Y N -1.757 118.607 120.300 0.106 0.000 2.425 713 Y HA 0.398 4.948 4.550 -0.000 0.000 0.261 713 Y C -0.196 175.751 175.900 0.078 0.000 1.084 713 Y CA -0.686 57.416 58.100 0.004 0.000 1.248 713 Y CB 0.384 38.836 38.460 -0.014 0.000 1.270 713 Y HN 0.113 nan 8.280 nan 0.000 0.524 714 L N 2.038 123.472 121.223 0.351 0.000 2.417 714 L HA 0.318 4.658 4.340 -0.000 0.000 0.258 714 L C -1.068 175.949 176.870 0.245 0.000 1.088 714 L CA 0.159 55.181 54.840 0.303 0.000 0.975 714 L CB 0.282 42.430 42.059 0.148 0.000 1.341 714 L HN 0.112 nan 8.230 nan 0.000 0.431 715 N N 2.241 121.204 118.700 0.438 0.000 2.790 715 N HA 0.412 5.152 4.740 -0.000 0.000 0.256 715 N C 0.021 175.765 175.510 0.390 0.000 1.409 715 N CA -0.168 53.174 53.050 0.486 0.000 0.799 715 N CB 0.467 39.096 38.487 0.237 0.000 1.170 715 N HN 0.643 nan 8.380 nan 0.000 0.507 716 H N -1.798 116.762 119.070 -0.850 0.000 1.795 716 H HA -0.172 4.384 4.556 -0.000 0.000 0.115 716 H C 1.289 175.930 175.328 -1.146 0.000 1.194 716 H CA 0.698 56.261 56.048 -0.809 0.000 0.413 716 H CB -0.961 28.503 29.762 -0.496 0.000 0.313 716 H HN 0.174 nan 8.280 nan 0.000 0.206 717 T N 3.324 116.539 114.554 -2.232 0.000 2.019 717 T HA -0.366 3.984 4.350 -0.000 0.000 0.163 717 T C 1.205 175.517 174.700 -0.646 0.000 1.761 717 T CA 2.658 64.001 62.100 -1.261 0.000 0.929 717 T CB -2.306 65.984 68.868 -0.964 0.000 0.787 717 T HN 0.434 nan 8.240 nan 0.000 0.427 718 F N 2.213 122.092 119.950 -0.117 0.000 2.304 718 F HA 0.044 4.571 4.527 -0.000 0.000 0.321 718 F C 1.346 177.115 175.800 -0.052 0.000 0.865 718 F CA 0.125 58.119 58.000 -0.010 0.000 1.105 718 F CB -0.108 38.947 39.000 0.090 0.000 0.864 718 F HN 0.146 nan 8.300 nan 0.000 0.609 719 K N 0.829 121.310 120.400 0.136 0.000 2.586 719 K HA 0.327 4.647 4.320 -0.000 0.000 0.198 719 K C -0.728 175.901 176.600 0.048 0.000 1.170 719 K CA -0.222 56.089 56.287 0.041 0.000 1.069 719 K CB 0.718 33.231 32.500 0.021 0.000 0.944 719 K HN 0.500 nan 8.250 nan 0.000 0.572 720 K N -0.406 120.045 120.400 0.085 0.000 2.736 720 K HA 0.289 4.609 4.320 -0.000 0.000 0.290 720 K C -1.223 175.413 176.600 0.059 0.000 1.033 720 K CA -0.627 55.700 56.287 0.066 0.000 0.852 720 K CB 2.280 34.812 32.500 0.053 0.000 1.494 720 K HN -0.233 nan 8.250 nan 0.000 0.378 721 V N 0.639 120.539 119.914 -0.023 0.000 3.098 721 V HA 0.189 4.309 4.120 -0.000 0.000 0.416 721 V C 0.133 175.949 176.094 -0.463 0.000 1.449 721 V CA -0.468 61.671 62.300 -0.269 0.000 1.486 721 V CB 0.657 32.500 31.823 0.033 0.000 1.277 721 V HN 0.883 nan 8.190 nan 0.000 0.623 722 A N 1.072 123.673 122.820 -0.365 0.000 2.552 722 A HA 0.575 4.895 4.320 -0.000 0.000 0.241 722 A C -0.102 177.236 177.584 -0.409 0.000 1.103 722 A CA 1.134 53.002 52.037 -0.283 0.000 0.789 722 A CB 0.211 19.112 19.000 -0.164 0.000 1.050 722 A HN 0.598 nan 8.150 nan 0.000 0.515 723 I N -3.079 117.359 120.570 -0.220 0.000 3.289 723 I HA 0.521 4.691 4.170 -0.000 0.000 0.319 723 I C 0.320 176.414 176.117 -0.038 0.000 1.340 723 I CA -0.281 60.920 61.300 -0.165 0.000 0.903 723 I CB 1.595 39.491 38.000 -0.173 0.000 1.291 723 I HN 0.713 nan 8.210 nan 0.000 0.496 724 T N -1.147 113.434 114.554 0.046 0.000 2.578 724 T HA 0.562 4.912 4.350 -0.000 0.000 0.149 724 T C -0.734 174.180 174.700 0.356 0.000 0.737 724 T CA 0.328 62.518 62.100 0.150 0.000 1.029 724 T CB 0.734 69.671 68.868 0.116 0.000 2.342 724 T HN 0.663 nan 8.240 nan 0.000 0.360 725 F N -0.219 119.790 119.950 0.098 0.000 2.955 725 F HA 0.074 4.601 4.527 -0.000 0.000 0.265 725 F C -0.570 175.329 175.800 0.165 0.000 1.223 725 F CA -0.115 57.970 58.000 0.142 0.000 0.940 725 F CB -0.432 38.707 39.000 0.231 0.000 2.582 725 F HN 0.399 nan 8.300 nan 0.000 0.198 726 D N 1.370 121.816 120.400 0.077 0.000 2.422 726 D HA 0.053 4.693 4.640 -0.000 0.000 0.245 726 D C 0.794 177.119 176.300 0.042 0.000 1.102 726 D CA 1.831 55.813 54.000 -0.030 0.000 0.981 726 D CB -0.111 40.776 40.800 0.145 0.000 0.877 726 D HN 0.500 nan 8.370 nan 0.000 0.522 727 S N -2.543 113.198 115.700 0.069 0.000 2.000 727 S HA -0.260 4.210 4.470 -0.000 0.000 0.243 727 S C 1.447 176.094 174.600 0.079 0.000 1.092 727 S CA 1.514 59.750 58.200 0.061 0.000 1.426 727 S CB -1.197 62.024 63.200 0.034 0.000 1.779 727 S HN 0.522 nan 8.310 nan 0.000 0.565 728 S N -0.408 115.357 115.700 0.110 0.000 3.313 728 S HA 0.300 4.770 4.470 -0.000 0.000 0.247 728 S C 0.564 175.253 174.600 0.148 0.000 1.058 728 S CA 0.520 58.782 58.200 0.103 0.000 0.794 728 S CB -0.127 63.121 63.200 0.081 0.000 0.842 728 S HN 0.525 nan 8.310 nan 0.000 0.526 729 V N 4.043 124.093 119.914 0.226 0.000 2.885 729 V HA -0.009 4.111 4.120 -0.000 0.000 0.230 729 V C 0.601 176.865 176.094 0.283 0.000 1.023 729 V CA 0.538 63.022 62.300 0.307 0.000 1.222 729 V CB -1.716 30.446 31.823 0.565 0.000 1.062 729 V HN 0.590 nan 8.190 nan 0.000 0.494 730 S N 4.337 120.108 115.700 0.118 0.000 2.571 730 S HA 0.077 4.547 4.470 -0.000 0.000 0.297 730 S C -0.409 174.151 174.600 -0.067 0.000 1.234 730 S CA -0.249 57.976 58.200 0.042 0.000 1.120 730 S CB -0.188 62.992 63.200 -0.033 0.000 0.923 730 S HN 0.634 nan 8.310 nan 0.000 0.504 731 W N 6.742 128.030 121.300 -0.020 0.000 2.361 731 W HA 0.373 5.033 4.660 -0.000 0.000 0.314 731 W C -1.922 174.528 176.519 -0.116 0.000 1.041 731 W CA -1.746 55.543 57.345 -0.094 0.000 1.241 731 W CB 0.728 30.080 29.460 -0.181 0.000 1.279 731 W HN 0.571 nan 8.180 nan 0.000 0.436 732 P HA -0.182 nan 4.420 nan 0.000 0.297 732 P C 0.267 176.628 177.300 -1.565 0.000 1.937 732 P CA 1.642 64.138 63.100 -1.007 0.000 1.719 732 P CB 0.508 31.898 31.700 -0.517 0.000 0.362 733 G N -1.702 106.415 108.800 -1.137 0.000 3.508 733 G HA2 0.070 4.030 3.960 -0.000 0.000 0.172 733 G HA3 0.070 4.030 3.960 -0.000 0.000 0.172 733 G C -0.674 173.985 174.900 -0.402 0.000 1.231 733 G CA -0.462 44.170 45.100 -0.781 0.000 1.218 733 G HN 0.525 nan 8.290 nan 0.000 0.709 734 N N 2.806 121.336 118.700 -0.283 0.000 2.950 734 N HA 0.180 4.920 4.740 -0.000 0.000 0.313 734 N C -1.053 174.349 175.510 -0.180 0.000 1.213 734 N CA 0.702 53.646 53.050 -0.176 0.000 1.184 734 N CB 0.048 38.468 38.487 -0.112 0.000 1.454 734 N HN 0.361 nan 8.380 nan 0.000 0.532 735 D N 0.617 120.901 120.400 -0.192 0.000 3.639 735 D HA -0.109 4.531 4.640 -0.000 0.000 0.253 735 D C -0.269 175.911 176.300 -0.200 0.000 1.049 735 D CA 0.625 54.524 54.000 -0.168 0.000 1.059 735 D CB -0.254 40.469 40.800 -0.128 0.000 0.953 735 D HN 0.369 nan 8.370 nan 0.000 0.420 736 R N 0.157 120.513 120.500 -0.239 0.000 2.797 736 R HA 0.761 5.101 4.340 -0.000 0.000 0.251 736 R C 1.302 177.482 176.300 -0.199 0.000 1.107 736 R CA -0.961 54.986 56.100 -0.254 0.000 1.084 736 R CB 0.571 30.654 30.300 -0.361 0.000 1.205 736 R HN 0.315 nan 8.270 nan 0.000 0.515 737 L N -0.554 120.548 121.223 -0.201 0.000 5.895 737 L HA -0.354 3.986 4.340 -0.000 0.000 0.253 737 L C 0.652 177.452 176.870 -0.117 0.000 1.232 737 L CA 1.023 55.759 54.840 -0.174 0.000 1.483 737 L CB -0.265 41.682 42.059 -0.186 0.000 2.199 737 L HN 0.598 nan 8.230 nan 0.000 0.895 738 L N -0.927 120.253 121.223 -0.073 0.000 2.818 738 L HA 0.261 4.601 4.340 -0.000 0.000 0.243 738 L C -0.264 176.589 176.870 -0.028 0.000 1.185 738 L CA 0.275 55.081 54.840 -0.058 0.000 0.988 738 L CB -0.051 41.984 42.059 -0.039 0.000 1.292 738 L HN 0.613 nan 8.230 nan 0.000 0.519 739 T N -2.234 112.300 114.554 -0.033 0.000 3.424 739 T HA 0.164 4.514 4.350 -0.000 0.000 0.293 739 T C -2.170 172.498 174.700 -0.052 0.000 0.788 739 T CA -0.703 61.388 62.100 -0.016 0.000 1.337 739 T CB 1.482 70.370 68.868 0.033 0.000 0.948 739 T HN -0.246 nan 8.240 nan 0.000 0.534 740 P HA -0.298 nan 4.420 nan 0.000 0.225 740 P C 1.175 178.398 177.300 -0.129 0.000 0.810 740 P CA 1.787 64.816 63.100 -0.119 0.000 1.060 740 P CB -0.026 31.612 31.700 -0.103 0.000 0.728 741 N N -0.597 118.046 118.700 -0.096 0.000 2.362 741 N HA 0.041 4.781 4.740 -0.000 0.000 0.211 741 N C 0.396 175.861 175.510 -0.074 0.000 1.170 741 N CA 0.516 53.511 53.050 -0.092 0.000 0.828 741 N CB -0.040 38.406 38.487 -0.069 0.000 1.034 741 N HN 0.355 nan 8.380 nan 0.000 0.475 742 E N -0.697 119.474 120.200 -0.049 0.000 2.417 742 E HA 0.533 4.883 4.350 -0.000 0.000 0.200 742 E C -1.200 175.463 176.600 0.106 0.000 0.791 742 E CA -0.751 55.647 56.400 -0.004 0.000 0.911 742 E CB 1.502 31.212 29.700 0.015 0.000 1.936 742 E HN 0.042 nan 8.360 nan 0.000 0.395 743 F N 0.348 120.291 119.950 -0.012 0.000 3.212 743 F HA 0.077 4.604 4.527 -0.000 0.000 0.320 743 F C -1.051 174.813 175.800 0.106 0.000 1.265 743 F CA -0.323 57.722 58.000 0.074 0.000 0.816 743 F CB 0.456 39.530 39.000 0.123 0.000 1.725 743 F HN 0.345 nan 8.300 nan 0.000 0.476 744 E N 2.777 123.113 120.200 0.226 0.000 3.434 744 E HA -0.129 4.221 4.350 -0.000 0.000 0.248 744 E C -0.027 176.601 176.600 0.047 0.000 0.895 744 E CA 0.659 57.116 56.400 0.095 0.000 0.953 744 E CB -0.048 29.695 29.700 0.072 0.000 0.893 744 E HN 0.464 nan 8.360 nan 0.000 0.570 745 I N 2.484 122.981 120.570 -0.122 0.000 2.781 745 I HA 0.237 4.407 4.170 -0.000 0.000 0.303 745 I C -0.171 175.825 176.117 -0.202 0.000 1.161 745 I CA -0.326 60.816 61.300 -0.263 0.000 1.341 745 I CB -0.330 37.233 38.000 -0.730 0.000 1.585 745 I HN 0.307 nan 8.210 nan 0.000 0.567 746 K N 2.304 122.625 120.400 -0.133 0.000 2.530 746 K HA 0.343 4.663 4.320 -0.000 0.000 0.328 746 K C -1.333 175.216 176.600 -0.085 0.000 1.266 746 K CA -0.373 55.822 56.287 -0.152 0.000 1.084 746 K CB 0.840 33.278 32.500 -0.103 0.000 1.379 746 K HN 0.050 nan 8.250 nan 0.000 0.491 747 R N 2.290 122.731 120.500 -0.099 0.000 2.576 747 R HA 0.516 4.856 4.340 -0.000 0.000 0.283 747 R C -1.393 174.865 176.300 -0.070 0.000 1.493 747 R CA -0.455 55.617 56.100 -0.047 0.000 1.170 747 R CB 1.341 31.644 30.300 0.006 0.000 1.189 747 R HN 0.674 nan 8.270 nan 0.000 0.542 748 S N -0.083 115.576 115.700 -0.068 0.000 2.537 748 S HA 0.460 4.930 4.470 -0.000 0.000 0.271 748 S C 0.183 174.752 174.600 -0.051 0.000 1.148 748 S CA -0.375 57.785 58.200 -0.067 0.000 0.868 748 S CB 2.679 65.829 63.200 -0.084 0.000 1.115 748 S HN 0.214 nan 8.310 nan 0.000 0.461 749 V N 0.537 120.421 119.914 -0.049 0.000 0.354 749 V HA -0.182 3.938 4.120 -0.000 0.000 0.092 749 V C 0.545 176.610 176.094 -0.048 0.000 2.827 749 V CA 2.253 64.527 62.300 -0.043 0.000 3.859 749 V CB -0.946 30.857 31.823 -0.035 0.000 1.103 749 V HN 0.986 nan 8.190 nan 0.000 1.163 750 D N -1.254 119.115 120.400 -0.052 0.000 2.690 750 D HA 0.175 4.815 4.640 -0.000 0.000 0.235 750 D C 1.698 177.949 176.300 -0.082 0.000 1.327 750 D CA 1.026 54.990 54.000 -0.060 0.000 1.264 750 D CB 0.063 40.836 40.800 -0.045 0.000 1.574 750 D HN 0.487 nan 8.370 nan 0.000 0.421 751 G N 1.718 110.480 108.800 -0.064 0.000 2.621 751 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.215 751 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.215 751 G C 1.203 176.033 174.900 -0.116 0.000 1.127 751 G CA 0.603 45.662 45.100 -0.067 0.000 0.747 751 G HN 0.288 nan 8.290 nan 0.000 0.561 752 E N 0.679 120.810 120.200 -0.115 0.000 2.352 752 E HA -0.202 4.147 4.350 -0.000 0.000 0.203 752 E C 2.597 179.060 176.600 -0.228 0.000 1.024 752 E CA 0.864 57.192 56.400 -0.120 0.000 0.842 752 E CB -0.703 28.937 29.700 -0.099 0.000 0.753 752 E HN 0.452 nan 8.360 nan 0.000 0.508 753 G N 0.469 109.044 108.800 -0.375 0.000 2.663 753 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.222 753 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.222 753 G C 0.224 174.401 174.900 -1.205 0.000 1.146 753 G CA 1.724 46.288 45.100 -0.893 0.000 0.764 753 G HN 0.339 nan 8.290 nan 0.000 0.608 754 Y N -0.998 119.312 120.300 0.017 0.000 2.274 754 Y HA 0.472 5.022 4.550 -0.000 0.000 0.323 754 Y C -0.943 174.974 175.900 0.029 0.000 1.171 754 Y CA -1.415 56.704 58.100 0.031 0.000 1.163 754 Y CB 0.708 39.193 38.460 0.042 0.000 1.183 754 Y HN -0.136 nan 8.280 nan 0.000 0.424 755 N N 2.031 120.809 118.700 0.129 0.000 2.442 755 N HA 0.416 5.156 4.740 -0.000 0.000 0.274 755 N C -0.521 175.042 175.510 0.088 0.000 1.002 755 N CA -0.563 52.530 53.050 0.072 0.000 0.910 755 N CB 2.811 41.298 38.487 0.001 0.000 1.244 755 N HN 0.405 nan 8.380 nan 0.000 0.492 756 V N 1.597 121.566 119.914 0.091 0.000 3.139 756 V HA 0.066 4.186 4.120 -0.000 0.000 0.307 756 V C 1.350 177.466 176.094 0.038 0.000 1.095 756 V CA 0.853 63.206 62.300 0.088 0.000 1.160 756 V CB 0.806 32.642 31.823 0.022 0.000 1.003 756 V HN 0.942 nan 8.190 nan 0.000 0.489 757 A N 2.687 125.535 122.820 0.047 0.000 2.766 757 A HA -0.394 3.926 4.320 -0.000 0.000 0.287 757 A C 1.242 178.872 177.584 0.076 0.000 1.383 757 A CA 2.158 54.236 52.037 0.068 0.000 0.996 757 A CB -1.905 17.141 19.000 0.077 0.000 0.935 757 A HN 1.526 nan 8.150 nan 0.000 0.605 758 Q N -4.607 115.232 119.800 0.065 0.000 2.177 758 Q HA -0.406 3.934 4.340 -0.000 0.000 0.174 758 Q C 1.328 177.342 176.000 0.023 0.000 0.609 758 Q CA 2.411 58.242 55.803 0.047 0.000 1.453 758 Q CB -3.426 25.345 28.738 0.054 0.000 1.591 758 Q HN 2.030 nan 8.270 nan 0.000 0.818 759 C N 0.249 119.568 119.300 0.031 0.000 4.457 759 C HA -0.035 4.425 4.460 -0.000 0.000 0.223 759 C C 1.743 176.666 174.990 -0.112 0.000 2.772 759 C CA 0.988 60.016 59.018 0.016 0.000 1.775 759 C CB -0.601 27.209 27.740 0.117 0.000 1.754 759 C HN 0.602 nan 8.230 nan 0.000 0.321 760 N N -0.181 118.318 118.700 -0.335 0.000 2.205 760 N HA 0.199 4.939 4.740 -0.000 0.000 0.201 760 N C -0.055 174.974 175.510 -0.801 0.000 1.128 760 N CA 0.011 52.724 53.050 -0.562 0.000 0.867 760 N CB -0.110 37.963 38.487 -0.690 0.000 0.996 760 N HN 0.613 nan 8.380 nan 0.000 0.503 761 M N 0.998 120.216 119.600 -0.637 0.000 2.478 761 M HA 0.162 4.642 4.480 -0.000 0.000 0.327 761 M C 0.787 177.011 176.300 -0.126 0.000 1.187 761 M CA -0.185 54.870 55.300 -0.409 0.000 1.022 761 M CB 1.598 34.081 32.600 -0.195 0.000 1.629 761 M HN 0.064 nan 8.290 nan 0.000 0.461 762 T N 0.646 115.182 114.554 -0.030 0.000 2.753 762 T HA 0.257 4.607 4.350 -0.000 0.000 0.309 762 T C 1.006 175.796 174.700 0.150 0.000 1.043 762 T CA -0.279 61.869 62.100 0.081 0.000 0.964 762 T CB 0.532 69.474 68.868 0.123 0.000 1.206 762 T HN 0.650 nan 8.240 nan 0.000 0.528 763 K N 0.845 121.363 120.400 0.196 0.000 2.439 763 K HA 0.021 4.341 4.320 -0.000 0.000 0.197 763 K C 0.678 177.451 176.600 0.288 0.000 1.041 763 K CA 0.505 56.927 56.287 0.224 0.000 0.970 763 K CB -0.227 32.376 32.500 0.171 0.000 0.773 763 K HN 0.643 nan 8.250 nan 0.000 0.479 764 D N 0.142 120.740 120.400 0.330 0.000 2.197 764 D HA -0.117 4.523 4.640 -0.000 0.000 0.290 764 D C 0.868 177.535 176.300 0.613 0.000 1.145 764 D CA -0.542 53.715 54.000 0.428 0.000 1.061 764 D CB -0.293 40.801 40.800 0.489 0.000 1.151 764 D HN 0.095 nan 8.370 nan 0.000 0.504 765 W N 0.529 122.281 121.300 0.753 0.000 6.875 765 W HA -0.291 4.369 4.660 -0.000 0.000 0.389 765 W C -0.039 176.587 176.519 0.178 0.000 1.389 765 W CA -0.047 57.596 57.345 0.497 0.000 1.115 765 W CB -1.056 28.437 29.460 0.054 0.000 2.513 765 W HN 0.215 nan 8.180 nan 0.000 1.672 766 F N -0.064 120.016 119.950 0.216 0.000 2.258 766 F HA -0.003 4.524 4.527 -0.000 0.000 0.262 766 F C 2.088 177.895 175.800 0.011 0.000 1.124 766 F CA 1.121 59.178 58.000 0.094 0.000 1.069 766 F CB -1.254 37.816 39.000 0.117 0.000 1.081 766 F HN -0.269 nan 8.300 nan 0.000 0.555 767 L N 0.448 121.930 121.223 0.431 0.000 2.131 767 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 767 L C 2.372 179.334 176.870 0.153 0.000 1.092 767 L CA 1.137 56.135 54.840 0.263 0.000 0.759 767 L CB -1.292 40.901 42.059 0.224 0.000 0.903 767 L HN 0.059 nan 8.230 nan 0.000 0.435 768 V N -0.158 119.819 119.914 0.104 0.000 2.511 768 V HA -0.284 3.836 4.120 -0.000 0.000 0.257 768 V C 2.008 178.047 176.094 -0.091 0.000 1.088 768 V CA 1.435 63.744 62.300 0.015 0.000 1.098 768 V CB -0.508 31.249 31.823 -0.110 0.000 0.674 768 V HN 0.546 nan 8.190 nan 0.000 0.470 769 Q N -1.865 117.845 119.800 -0.149 0.000 2.198 769 Q HA 0.359 4.699 4.340 -0.000 0.000 0.209 769 Q C 1.107 177.056 176.000 -0.084 0.000 0.848 769 Q CA 0.276 55.897 55.803 -0.302 0.000 0.974 769 Q CB 0.857 29.141 28.738 -0.757 0.000 1.115 769 Q HN 0.715 nan 8.270 nan 0.000 0.494 770 M N -2.060 117.601 119.600 0.101 0.000 2.331 770 M HA 0.147 4.627 4.480 -0.000 0.000 0.187 770 M C 1.644 178.076 176.300 0.220 0.000 1.915 770 M CA -0.041 55.431 55.300 0.286 0.000 1.082 770 M CB -0.032 32.746 32.600 0.296 0.000 1.445 770 M HN -0.078 nan 8.290 nan 0.000 0.602 771 L N 1.668 122.988 121.223 0.161 0.000 1.965 771 L HA -0.297 4.043 4.340 -0.000 0.000 0.226 771 L C 2.960 179.905 176.870 0.126 0.000 1.083 771 L CA 2.137 57.056 54.840 0.132 0.000 0.790 771 L CB -1.139 41.016 42.059 0.160 0.000 0.898 771 L HN 0.597 nan 8.230 nan 0.000 0.439 772 A N 0.776 123.666 122.820 0.117 0.000 1.920 772 A HA -0.350 3.970 4.320 -0.000 0.000 0.229 772 A C 1.854 179.477 177.584 0.064 0.000 1.516 772 A CA 3.033 55.116 52.037 0.078 0.000 0.714 772 A CB -0.972 18.060 19.000 0.052 0.000 0.845 772 A HN 0.816 nan 8.150 nan 0.000 0.493 773 N N -3.777 114.962 118.700 0.064 0.000 2.724 773 N HA 0.017 4.757 4.740 -0.000 0.000 0.226 773 N C 1.673 177.260 175.510 0.128 0.000 1.030 773 N CA 0.888 53.977 53.050 0.065 0.000 1.038 773 N CB -0.536 37.954 38.487 0.005 0.000 1.475 773 N HN 0.349 nan 8.380 nan 0.000 0.472 774 Y N 1.549 121.869 120.300 0.033 0.000 2.169 774 Y HA -0.165 4.385 4.550 -0.000 0.000 0.219 774 Y C 1.424 177.300 175.900 -0.041 0.000 0.994 774 Y CA 1.638 59.726 58.100 -0.020 0.000 0.986 774 Y CB -0.564 37.880 38.460 -0.026 0.000 0.961 774 Y HN 0.293 nan 8.280 nan 0.000 0.518 775 N N -4.147 114.647 118.700 0.157 0.000 2.460 775 N HA -0.133 4.607 4.740 -0.000 0.000 0.307 775 N C -0.197 175.303 175.510 -0.016 0.000 1.650 775 N CA 0.550 53.635 53.050 0.058 0.000 3.275 775 N CB -1.095 37.443 38.487 0.085 0.000 1.527 775 N HN 0.147 nan 8.380 nan 0.000 1.133 776 I N 2.095 122.622 120.570 -0.070 0.000 3.875 776 I HA -0.134 4.036 4.170 -0.000 0.000 0.336 776 I C 1.554 177.720 176.117 0.082 0.000 1.118 776 I CA 1.212 62.480 61.300 -0.053 0.000 2.575 776 I CB -1.048 36.862 38.000 -0.151 0.000 1.845 776 I HN 0.363 nan 8.210 nan 0.000 1.244 777 G N 2.853 111.520 108.800 -0.223 0.000 2.621 777 G HA2 0.003 3.963 3.960 -0.000 0.000 0.209 777 G HA3 0.003 3.963 3.960 -0.000 0.000 0.209 777 G C 0.843 175.461 174.900 -0.470 0.000 1.379 777 G CA 0.130 45.052 45.100 -0.298 0.000 0.766 777 G HN 0.410 nan 8.290 nan 0.000 0.599 778 Y N 1.793 121.946 120.300 -0.244 0.000 2.389 778 Y HA 0.188 4.738 4.550 -0.000 0.000 0.292 778 Y C 1.944 177.625 175.900 -0.364 0.000 1.117 778 Y CA -0.030 57.889 58.100 -0.301 0.000 1.195 778 Y CB -0.890 37.470 38.460 -0.167 0.000 1.076 778 Y HN 0.210 nan 8.280 nan 0.000 0.548 779 Q N 2.278 121.893 119.800 -0.309 0.000 2.871 779 Q HA 0.187 4.527 4.340 -0.000 0.000 0.218 779 Q C 1.068 176.857 176.000 -0.352 0.000 1.204 779 Q CA 0.723 56.367 55.803 -0.265 0.000 0.922 779 Q CB -0.998 27.569 28.738 -0.284 0.000 1.751 779 Q HN 0.641 nan 8.270 nan 0.000 0.476 780 G N 2.123 110.640 108.800 -0.472 0.000 2.692 780 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.339 780 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.339 780 G C -0.190 174.012 174.900 -1.164 0.000 1.226 780 G CA 0.710 45.454 45.100 -0.594 0.000 0.979 780 G HN 0.617 nan 8.290 nan 0.000 0.549 781 F N -0.473 119.489 119.950 0.020 0.000 3.596 781 F HA 0.396 4.923 4.527 -0.000 0.000 0.407 781 F C -0.405 175.412 175.800 0.028 0.000 1.168 781 F CA -0.794 57.211 58.000 0.008 0.000 1.405 781 F CB 0.352 39.338 39.000 -0.024 0.000 2.272 781 F HN 0.724 nan 8.300 nan 0.000 0.758 782 Y N 1.726 121.992 120.300 -0.057 0.000 2.486 782 Y HA 0.499 5.049 4.550 -0.000 0.000 0.348 782 Y C -0.124 175.692 175.900 -0.140 0.000 1.000 782 Y CA -1.547 56.500 58.100 -0.089 0.000 1.253 782 Y CB 0.420 38.815 38.460 -0.108 0.000 1.140 782 Y HN 0.490 nan 8.280 nan 0.000 0.526 783 I N 8.095 128.588 120.570 -0.128 0.000 2.436 783 I HA 0.194 4.364 4.170 -0.000 0.000 0.289 783 I C -2.096 173.922 176.117 -0.165 0.000 1.083 783 I CA -1.834 59.322 61.300 -0.241 0.000 1.372 783 I CB 1.048 38.948 38.000 -0.168 0.000 1.408 783 I HN 0.651 nan 8.210 nan 0.000 0.516 784 P HA 0.363 nan 4.420 nan 0.000 0.297 784 P C -0.470 176.804 177.300 -0.044 0.000 1.307 784 P CA -0.222 62.780 63.100 -0.164 0.000 0.773 784 P CB 1.132 32.686 31.700 -0.244 0.000 1.265 785 E N -1.248 118.932 120.200 -0.033 0.000 4.231 785 E HA 0.136 4.486 4.350 -0.000 0.000 0.202 785 E C 1.461 178.129 176.600 0.113 0.000 1.161 785 E CA -0.062 56.381 56.400 0.072 0.000 0.821 785 E CB -0.931 28.826 29.700 0.096 0.000 2.683 785 E HN 0.162 nan 8.360 nan 0.000 0.517 786 S N 1.103 116.905 115.700 0.171 0.000 2.398 786 S HA -0.145 4.325 4.470 -0.000 0.000 0.220 786 S C 1.960 176.711 174.600 0.253 0.000 1.038 786 S CA 2.236 60.555 58.200 0.197 0.000 1.080 786 S CB -1.033 62.294 63.200 0.211 0.000 1.039 786 S HN 0.494 nan 8.310 nan 0.000 0.419 787 Y N 1.342 121.670 120.300 0.047 0.000 3.379 787 Y HA 0.365 4.915 4.550 -0.000 0.000 0.233 787 Y C 1.941 177.878 175.900 0.063 0.000 0.858 787 Y CA -0.454 57.672 58.100 0.045 0.000 0.983 787 Y CB -1.437 37.045 38.460 0.037 0.000 1.160 787 Y HN -0.135 nan 8.280 nan 0.000 0.500 788 K N -0.152 120.150 120.400 -0.163 0.000 2.384 788 K HA -0.334 3.986 4.320 -0.000 0.000 0.197 788 K C 0.466 177.058 176.600 -0.013 0.000 0.769 788 K CA 2.430 58.607 56.287 -0.183 0.000 1.051 788 K CB -1.568 30.693 32.500 -0.399 0.000 1.156 788 K HN 0.775 nan 8.250 nan 0.000 0.594 789 D N 2.142 122.542 120.400 0.001 0.000 2.367 789 D HA -0.022 4.618 4.640 -0.000 0.000 0.255 789 D C -0.269 176.162 176.300 0.219 0.000 1.300 789 D CA 0.102 54.198 54.000 0.159 0.000 0.959 789 D CB 0.331 41.215 40.800 0.140 0.000 1.064 789 D HN 0.061 nan 8.370 nan 0.000 0.509 790 R N 4.428 125.070 120.500 0.236 0.000 2.370 790 R HA 0.006 4.346 4.340 -0.000 0.000 0.309 790 R C 1.586 178.028 176.300 0.237 0.000 1.059 790 R CA -0.305 55.910 56.100 0.191 0.000 0.981 790 R CB 0.977 31.379 30.300 0.170 0.000 0.972 790 R HN 0.559 nan 8.270 nan 0.000 0.437 791 M N 3.756 123.478 119.600 0.203 0.000 2.089 791 M HA -0.266 4.214 4.480 -0.000 0.000 0.257 791 M C 0.941 177.388 176.300 0.245 0.000 1.071 791 M CA 2.012 57.436 55.300 0.208 0.000 1.096 791 M CB -0.732 31.956 32.600 0.147 0.000 1.330 791 M HN 0.675 nan 8.290 nan 0.000 0.403 792 Y N 1.759 122.088 120.300 0.048 0.000 2.653 792 Y HA -0.235 4.315 4.550 -0.000 0.000 0.271 792 Y C 1.839 177.737 175.900 -0.003 0.000 1.177 792 Y CA 0.201 58.313 58.100 0.020 0.000 1.527 792 Y CB -0.141 38.330 38.460 0.018 0.000 0.955 792 Y HN 0.448 nan 8.280 nan 0.000 0.612 793 S N -0.751 114.988 115.700 0.065 0.000 2.278 793 S HA -0.072 4.398 4.470 -0.000 0.000 0.218 793 S C 0.828 175.428 174.600 -0.001 0.000 1.345 793 S CA 0.012 58.133 58.200 -0.131 0.000 1.006 793 S CB -0.053 62.835 63.200 -0.521 0.000 0.811 793 S HN 0.340 nan 8.310 nan 0.000 0.459 794 F N -0.497 119.358 119.950 -0.159 0.000 2.717 794 F HA 0.288 4.815 4.527 -0.000 0.000 0.295 794 F C 1.347 177.313 175.800 0.277 0.000 1.117 794 F CA -0.011 57.984 58.000 -0.008 0.000 1.361 794 F CB -0.015 38.919 39.000 -0.109 0.000 1.112 794 F HN 0.450 nan 8.300 nan 0.000 0.594 795 F N 1.486 121.627 119.950 0.318 0.000 2.059 795 F HA 0.151 4.678 4.527 -0.000 0.000 0.289 795 F C 1.549 177.487 175.800 0.230 0.000 1.128 795 F CA 1.184 59.406 58.000 0.370 0.000 1.181 795 F CB -0.831 38.438 39.000 0.450 0.000 1.012 795 F HN -0.347 nan 8.300 nan 0.000 0.473 796 R N 1.345 121.925 120.500 0.134 0.000 4.980 796 R HA 0.072 4.412 4.340 -0.000 0.000 0.190 796 R C -0.349 175.966 176.300 0.025 0.000 2.095 796 R CA 0.539 56.620 56.100 -0.032 0.000 1.717 796 R CB -0.942 29.387 30.300 0.048 0.000 1.337 796 R HN 0.452 nan 8.270 nan 0.000 0.820 797 N N -1.893 116.821 118.700 0.022 0.000 2.297 797 N HA 0.063 4.803 4.740 -0.000 0.000 0.311 797 N C -0.621 174.873 175.510 -0.027 0.000 0.755 797 N CA -0.228 52.810 53.050 -0.020 0.000 0.725 797 N CB 0.168 38.612 38.487 -0.073 0.000 2.195 797 N HN 0.191 nan 8.380 nan 0.000 1.138 798 F N 0.604 120.367 119.950 -0.312 0.000 2.631 798 F HA 0.802 5.329 4.527 -0.000 0.000 0.350 798 F C -1.465 174.232 175.800 -0.171 0.000 1.080 798 F CA -0.375 57.398 58.000 -0.379 0.000 1.026 798 F CB 1.508 39.984 39.000 -0.874 0.000 1.347 798 F HN -0.251 nan 8.300 nan 0.000 0.501 799 Q N 1.574 120.576 119.800 -1.331 0.000 2.616 799 Q HA 0.274 4.614 4.340 -0.000 0.000 0.254 799 Q C -2.923 172.522 176.000 -0.926 0.000 0.975 799 Q CA -1.371 53.691 55.803 -1.234 0.000 0.976 799 Q CB 1.963 30.454 28.738 -0.412 0.000 1.594 799 Q HN 0.417 nan 8.270 nan 0.000 0.425 800 P HA 0.471 nan 4.420 nan 0.000 0.276 800 P C -0.172 177.082 177.300 -0.078 0.000 1.261 800 P CA -0.332 62.644 63.100 -0.207 0.000 0.800 800 P CB 0.767 32.463 31.700 -0.006 0.000 1.066 801 M N -2.250 117.371 119.600 0.034 0.000 2.990 801 M HA 0.755 5.235 4.480 -0.000 0.000 0.462 801 M C -1.033 175.451 176.300 0.306 0.000 1.961 801 M CA -0.740 54.644 55.300 0.139 0.000 0.798 801 M CB 1.196 33.844 32.600 0.080 0.000 3.332 801 M HN 0.222 nan 8.290 nan 0.000 0.541 802 S N -0.299 115.781 115.700 0.634 0.000 2.884 802 S HA 0.286 4.756 4.470 -0.000 0.000 0.274 802 S C -1.435 173.154 174.600 -0.018 0.000 0.782 802 S CA -0.615 57.873 58.200 0.479 0.000 0.854 802 S CB 1.021 64.335 63.200 0.190 0.000 1.076 802 S HN 1.047 nan 8.310 nan 0.000 0.525 803 R N 1.834 121.994 120.500 -0.567 0.000 3.416 803 R HA 0.815 5.155 4.340 -0.000 0.000 0.236 803 R C -1.273 174.790 176.300 -0.396 0.000 1.576 803 R CA -0.781 54.918 56.100 -0.668 0.000 1.011 803 R CB 0.524 30.018 30.300 -1.343 0.000 1.670 803 R HN 0.415 nan 8.270 nan 0.000 0.519 804 Q N 0.840 120.420 119.800 -0.367 0.000 2.961 804 Q HA 0.294 4.634 4.340 -0.000 0.000 0.223 804 Q C -1.691 174.189 176.000 -0.200 0.000 0.859 804 Q CA -0.287 55.380 55.803 -0.227 0.000 0.771 804 Q CB 2.184 30.823 28.738 -0.166 0.000 1.389 804 Q HN 0.449 nan 8.270 nan 0.000 0.460 805 V N 3.041 122.848 119.914 -0.177 0.000 2.673 805 V HA 0.113 4.233 4.120 -0.000 0.000 0.303 805 V C 0.549 176.580 176.094 -0.104 0.000 1.046 805 V CA -0.068 62.155 62.300 -0.129 0.000 1.126 805 V CB 0.653 32.420 31.823 -0.094 0.000 0.934 805 V HN 0.509 nan 8.190 nan 0.000 0.487 806 V N 2.585 122.448 119.914 -0.084 0.000 3.133 806 V HA 0.288 4.407 4.120 -0.000 0.000 0.305 806 V C 0.127 176.149 176.094 -0.121 0.000 1.084 806 V CA -0.787 61.465 62.300 -0.081 0.000 1.089 806 V CB 0.954 32.764 31.823 -0.022 0.000 1.073 806 V HN 0.777 nan 8.190 nan 0.000 0.477 807 D N 1.236 121.548 120.400 -0.146 0.000 2.428 807 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 807 D C 0.386 176.420 176.300 -0.443 0.000 1.123 807 D CA -0.335 53.541 54.000 -0.207 0.000 0.869 807 D CB 0.614 41.339 40.800 -0.124 0.000 1.032 807 D HN 0.573 nan 8.370 nan 0.000 0.506 808 D N 1.988 122.002 120.400 -0.645 0.000 2.346 808 D HA -0.020 4.620 4.640 -0.000 0.000 0.248 808 D C 0.718 176.567 176.300 -0.752 0.000 1.173 808 D CA 0.353 53.544 54.000 -1.349 0.000 0.878 808 D CB 0.780 41.122 40.800 -0.763 0.000 0.919 808 D HN 0.294 nan 8.370 nan 0.000 0.513 809 T N -0.259 114.034 114.554 -0.435 0.000 3.425 809 T HA -0.026 4.324 4.350 -0.000 0.000 0.225 809 T C 1.591 176.197 174.700 -0.156 0.000 0.992 809 T CA -0.171 61.791 62.100 -0.229 0.000 1.174 809 T CB 0.352 69.132 68.868 -0.146 0.000 1.240 809 T HN -0.184 nan 8.240 nan 0.000 0.350 810 K N 1.199 121.533 120.400 -0.110 0.000 2.103 810 K HA -0.001 4.319 4.320 -0.000 0.000 0.207 810 K C 0.525 177.141 176.600 0.027 0.000 1.048 810 K CA 0.738 57.000 56.287 -0.041 0.000 0.930 810 K CB -0.529 31.951 32.500 -0.034 0.000 0.716 810 K HN 0.351 nan 8.250 nan 0.000 0.444 811 Y N 2.243 122.472 120.300 -0.119 0.000 2.425 811 Y HA 0.087 4.637 4.550 -0.000 0.000 0.331 811 Y C -0.605 175.282 175.900 -0.022 0.000 1.157 811 Y CA -1.069 56.988 58.100 -0.070 0.000 1.372 811 Y CB 0.290 38.693 38.460 -0.096 0.000 1.253 811 Y HN -0.092 nan 8.280 nan 0.000 0.536 812 K N 5.449 125.916 120.400 0.112 0.000 2.273 812 K HA 0.265 4.585 4.320 -0.000 0.000 0.287 812 K C -1.258 175.156 176.600 -0.310 0.000 1.089 812 K CA -0.124 56.105 56.287 -0.098 0.000 0.909 812 K CB 0.200 32.745 32.500 0.074 0.000 1.123 812 K HN 0.705 nan 8.250 nan 0.000 0.473 813 D N 1.373 121.570 120.400 -0.339 0.000 2.812 813 D HA -0.149 4.491 4.640 -0.000 0.000 0.181 813 D C -1.716 174.460 176.300 -0.207 0.000 1.008 813 D CA 0.397 54.283 54.000 -0.190 0.000 0.830 813 D CB -1.592 39.193 40.800 -0.026 0.000 0.934 813 D HN 0.649 nan 8.370 nan 0.000 0.437 814 Y N 1.535 121.598 120.300 -0.395 0.000 2.447 814 Y HA 0.426 4.976 4.550 -0.000 0.000 0.325 814 Y C -0.625 175.199 175.900 -0.128 0.000 0.976 814 Y CA -0.371 57.512 58.100 -0.361 0.000 1.280 814 Y CB 0.675 38.812 38.460 -0.540 0.000 1.104 814 Y HN -0.077 nan 8.280 nan 0.000 0.486 815 Q N 4.604 124.334 119.800 -0.115 0.000 2.282 815 Q HA 0.133 4.473 4.340 -0.000 0.000 0.260 815 Q C -0.829 175.100 176.000 -0.119 0.000 0.964 815 Q CA -1.105 54.675 55.803 -0.039 0.000 0.880 815 Q CB 2.192 30.933 28.738 0.004 0.000 1.286 815 Q HN 0.759 nan 8.270 nan 0.000 0.445 816 Q N 1.900 121.691 119.800 -0.016 0.000 2.317 816 Q HA 0.091 4.431 4.340 -0.000 0.000 0.286 816 Q C -0.898 175.103 176.000 0.002 0.000 1.198 816 Q CA 0.070 55.874 55.803 0.002 0.000 0.973 816 Q CB -0.035 28.738 28.738 0.058 0.000 1.207 816 Q HN 0.343 nan 8.270 nan 0.000 0.416 817 V N 2.304 122.209 119.914 -0.015 0.000 3.211 817 V HA 0.879 4.999 4.120 -0.000 0.000 0.319 817 V C 0.671 176.795 176.094 0.050 0.000 1.096 817 V CA -0.614 61.711 62.300 0.042 0.000 1.029 817 V CB 1.696 33.554 31.823 0.058 0.000 1.137 817 V HN 0.772 nan 8.190 nan 0.000 0.453 818 G N -0.517 108.317 108.800 0.057 0.000 2.590 818 G HA2 0.576 4.536 3.960 -0.000 0.000 0.310 818 G HA3 0.576 4.536 3.960 -0.000 0.000 0.310 818 G C 0.154 174.991 174.900 -0.106 0.000 1.347 818 G CA -0.718 44.364 45.100 -0.029 0.000 0.963 818 G HN 0.693 nan 8.290 nan 0.000 0.494 819 I N 1.721 122.222 120.570 -0.114 0.000 2.761 819 I HA -0.212 3.958 4.170 -0.000 0.000 0.266 819 I C 2.362 178.357 176.117 -0.202 0.000 1.239 819 I CA 0.632 61.829 61.300 -0.172 0.000 1.451 819 I CB -0.058 37.850 38.000 -0.153 0.000 1.096 819 I HN 0.418 nan 8.210 nan 0.000 0.465 820 L N -0.376 120.670 121.223 -0.296 0.000 2.141 820 L HA -0.195 4.145 4.340 -0.000 0.000 0.209 820 L C 1.564 178.303 176.870 -0.218 0.000 1.094 820 L CA 1.667 56.302 54.840 -0.342 0.000 0.763 820 L CB -0.508 41.233 42.059 -0.531 0.000 0.908 820 L HN 0.361 nan 8.230 nan 0.000 0.437 821 H N -2.350 116.746 119.070 0.044 0.000 2.487 821 H HA 0.276 4.832 4.556 -0.000 0.000 0.290 821 H C -0.165 175.220 175.328 0.095 0.000 1.081 821 H CA -0.282 55.823 56.048 0.094 0.000 1.116 821 H CB 0.213 30.015 29.762 0.067 0.000 1.560 821 H HN 0.232 nan 8.280 nan 0.000 0.548 822 Q N 2.398 122.210 119.800 0.020 0.000 2.394 822 Q HA 0.178 4.518 4.340 -0.000 0.000 0.259 822 Q C -0.423 175.421 176.000 -0.260 0.000 1.021 822 Q CA -0.521 55.158 55.803 -0.206 0.000 0.805 822 Q CB 1.441 29.947 28.738 -0.387 0.000 1.226 822 Q HN 0.618 nan 8.270 nan 0.000 0.476 823 H N 0.627 119.615 119.070 -0.136 0.000 2.949 823 H HA 0.565 5.121 4.556 -0.000 0.000 0.310 823 H C -0.745 174.630 175.328 0.080 0.000 1.405 823 H CA -0.724 55.292 56.048 -0.054 0.000 1.253 823 H CB 2.206 31.971 29.762 0.006 0.000 1.932 823 H HN 0.582 nan 8.280 nan 0.000 0.602 824 N N -0.335 118.508 118.700 0.239 0.000 2.539 824 N HA -0.138 4.602 4.740 -0.000 0.000 0.338 824 N C -0.632 174.930 175.510 0.088 0.000 1.221 824 N CA -0.310 52.858 53.050 0.197 0.000 1.735 824 N CB -0.019 38.604 38.487 0.226 0.000 0.715 824 N HN 0.585 nan 8.380 nan 0.000 1.554 825 N N 1.411 120.110 118.700 -0.002 0.000 2.921 825 N HA 0.010 4.750 4.740 -0.000 0.000 0.325 825 N C -1.080 174.320 175.510 -0.183 0.000 1.194 825 N CA 0.084 53.037 53.050 -0.161 0.000 1.184 825 N CB -0.176 38.256 38.487 -0.092 0.000 1.433 825 N HN 0.232 nan 8.380 nan 0.000 0.539 826 S N 0.677 116.284 115.700 -0.155 0.000 2.485 826 S HA 0.492 4.962 4.470 -0.000 0.000 0.312 826 S C 1.130 175.625 174.600 -0.176 0.000 1.102 826 S CA -0.283 57.860 58.200 -0.095 0.000 1.066 826 S CB 0.956 64.135 63.200 -0.035 0.000 1.102 826 S HN 0.534 nan 8.310 nan 0.000 0.519 827 G N 1.283 110.011 108.800 -0.120 0.000 2.321 827 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.174 827 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.174 827 G C 0.081 175.154 174.900 0.289 0.000 1.008 827 G CA -0.396 44.697 45.100 -0.011 0.000 0.739 827 G HN 0.566 nan 8.290 nan 0.000 0.502 828 F N -0.214 119.734 119.950 -0.003 0.000 2.667 828 F HA 0.530 5.057 4.527 -0.000 0.000 0.288 828 F C 1.055 176.838 175.800 -0.028 0.000 1.086 828 F CA -0.339 57.649 58.000 -0.020 0.000 1.297 828 F CB 0.548 39.533 39.000 -0.024 0.000 1.059 828 F HN 0.180 nan 8.300 nan 0.000 0.624 829 V N 1.101 121.108 119.914 0.156 0.000 2.357 829 V HA 0.751 4.871 4.120 -0.000 0.000 0.284 829 V C 0.394 176.527 176.094 0.065 0.000 1.018 829 V CA -0.843 61.497 62.300 0.067 0.000 0.841 829 V CB 0.605 32.439 31.823 0.017 0.000 0.991 829 V HN 0.276 nan 8.190 nan 0.000 0.437 830 G N 5.332 114.163 108.800 0.052 0.000 2.238 830 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.234 830 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.234 830 G C -0.195 174.780 174.900 0.124 0.000 1.181 830 G CA 0.602 45.738 45.100 0.060 0.000 0.871 830 G HN 1.207 nan 8.290 nan 0.000 0.490 831 Y N 2.646 122.945 120.300 -0.001 0.000 3.012 831 Y HA 0.066 4.616 4.550 -0.000 0.000 0.348 831 Y C 1.398 177.326 175.900 0.046 0.000 1.280 831 Y CA 1.206 59.315 58.100 0.015 0.000 1.492 831 Y CB 0.162 38.627 38.460 0.009 0.000 1.315 831 Y HN 0.823 nan 8.280 nan 0.000 0.651 832 L N 0.670 121.640 121.223 -0.422 0.000 6.447 832 L HA -0.388 3.952 4.340 -0.000 0.000 0.053 832 L C 0.787 177.620 176.870 -0.062 0.000 2.588 832 L CA 0.937 55.586 54.840 -0.318 0.000 1.411 832 L CB -1.936 40.038 42.059 -0.141 0.000 2.990 832 L HN 0.965 nan 8.230 nan 0.000 1.106 833 A N 0.392 123.240 122.820 0.047 0.000 2.896 833 A HA 0.670 4.990 4.320 -0.000 0.000 0.232 833 A C -2.482 175.157 177.584 0.091 0.000 1.809 833 A CA 0.140 52.239 52.037 0.103 0.000 0.855 833 A CB -0.411 18.680 19.000 0.152 0.000 1.773 833 A HN 0.408 nan 8.150 nan 0.000 0.644 834 P HA 0.282 nan 4.420 nan 0.000 0.285 834 P C -0.141 177.202 177.300 0.072 0.000 1.448 834 P CA -0.079 63.053 63.100 0.054 0.000 0.953 834 P CB 1.085 32.797 31.700 0.021 0.000 1.175 835 T N 0.831 115.428 114.554 0.072 0.000 3.066 835 T HA 0.418 4.768 4.350 -0.000 0.000 0.176 835 T C 0.471 175.182 174.700 0.017 0.000 0.826 835 T CA -0.107 62.045 62.100 0.086 0.000 1.280 835 T CB -0.002 68.958 68.868 0.154 0.000 2.214 835 T HN 0.253 nan 8.240 nan 0.000 0.399 836 M N 1.539 121.118 119.600 -0.034 0.000 2.716 836 M HA 0.488 4.968 4.480 -0.000 0.000 0.307 836 M C 0.419 176.709 176.300 -0.018 0.000 1.223 836 M CA -1.185 54.089 55.300 -0.044 0.000 0.871 836 M CB 2.065 34.607 32.600 -0.098 0.000 1.739 836 M HN 0.419 nan 8.290 nan 0.000 0.475 837 R N 2.269 122.766 120.500 -0.005 0.000 2.389 837 R HA 0.012 4.352 4.340 -0.000 0.000 0.210 837 R C -0.885 175.440 176.300 0.042 0.000 1.157 837 R CA 0.273 56.393 56.100 0.032 0.000 1.169 837 R CB -1.400 28.901 30.300 0.001 0.000 1.004 837 R HN 0.694 nan 8.270 nan 0.000 0.482 838 E N 0.300 120.500 120.200 0.000 0.000 2.366 838 E HA 0.418 4.768 4.350 -0.000 0.000 0.266 838 E C 0.212 176.822 176.600 0.017 0.000 1.015 838 E CA 0.186 56.577 56.400 -0.016 0.000 0.906 838 E CB 0.738 30.389 29.700 -0.082 0.000 0.979 838 E HN 0.438 nan 8.360 nan 0.000 0.443 839 G N 2.486 111.300 108.800 0.023 0.000 2.332 839 G HA2 0.134 4.094 3.960 -0.000 0.000 0.265 839 G HA3 0.134 4.094 3.960 -0.000 0.000 0.265 839 G C -1.752 173.173 174.900 0.043 0.000 1.329 839 G CA -0.975 44.143 45.100 0.030 0.000 0.949 839 G HN 0.498 nan 8.290 nan 0.000 0.476 840 Q N -0.587 119.237 119.800 0.039 0.000 2.268 840 Q HA 0.691 5.031 4.340 -0.000 0.000 0.266 840 Q C -0.169 175.829 176.000 -0.003 0.000 1.006 840 Q CA -0.293 55.530 55.803 0.034 0.000 0.824 840 Q CB 2.283 31.059 28.738 0.064 0.000 1.306 840 Q HN 1.321 nan 8.270 nan 0.000 0.424 841 A N 2.476 125.245 122.820 -0.084 0.000 2.407 841 A HA 0.691 5.011 4.320 -0.000 0.000 0.248 841 A C -1.099 176.320 177.584 -0.275 0.000 1.082 841 A CA 0.399 52.301 52.037 -0.226 0.000 0.785 841 A CB 0.270 19.149 19.000 -0.202 0.000 1.020 841 A HN 0.695 nan 8.150 nan 0.000 0.489 842 Y N 0.036 120.261 120.300 -0.125 0.000 2.774 842 Y HA 0.389 4.939 4.550 -0.000 0.000 0.346 842 Y C -2.254 173.644 175.900 -0.002 0.000 1.222 842 Y CA -1.115 56.957 58.100 -0.047 0.000 1.088 842 Y CB 1.898 40.331 38.460 -0.045 0.000 1.354 842 Y HN 0.617 nan 8.280 nan 0.000 0.455 843 P HA 0.419 nan 4.420 nan 0.000 0.277 843 P C -1.452 175.994 177.300 0.244 0.000 1.271 843 P CA -0.379 62.840 63.100 0.198 0.000 0.795 843 P CB 0.995 32.790 31.700 0.159 0.000 1.101 844 A N 1.708 124.612 122.820 0.139 0.000 2.258 844 A HA 0.267 4.587 4.320 -0.000 0.000 0.316 844 A C 0.765 178.324 177.584 -0.042 0.000 1.279 844 A CA -0.649 51.408 52.037 0.035 0.000 0.876 844 A CB -0.407 18.684 19.000 0.152 0.000 1.170 844 A HN 0.641 nan 8.150 nan 0.000 0.520 845 N N 2.531 121.112 118.700 -0.198 0.000 2.575 845 N HA 0.116 4.856 4.740 -0.000 0.000 0.275 845 N C -1.010 174.414 175.510 -0.144 0.000 1.202 845 N CA -0.161 52.796 53.050 -0.155 0.000 0.945 845 N CB -0.107 38.299 38.487 -0.135 0.000 1.247 845 N HN 0.472 nan 8.380 nan 0.000 0.510 846 F N 0.992 120.807 119.950 -0.225 0.000 2.671 846 F HA 0.616 5.143 4.527 -0.000 0.000 0.332 846 F C -2.676 173.105 175.800 -0.031 0.000 1.189 846 F CA -1.417 56.511 58.000 -0.120 0.000 0.988 846 F CB 1.602 40.526 39.000 -0.126 0.000 1.258 846 F HN -0.084 nan 8.300 nan 0.000 0.471 847 P HA 0.394 nan 4.420 nan 0.000 0.332 847 P C -1.542 175.856 177.300 0.164 0.000 1.348 847 P CA -0.270 62.836 63.100 0.010 0.000 0.840 847 P CB 1.027 32.708 31.700 -0.031 0.000 2.049 848 Y N -1.806 118.491 120.300 -0.006 0.000 2.446 848 Y HA 0.451 5.001 4.550 -0.000 0.000 0.345 848 Y C -1.864 173.948 175.900 -0.148 0.000 0.984 848 Y CA -2.877 55.234 58.100 0.019 0.000 1.058 848 Y CB 0.313 38.967 38.460 0.324 0.000 1.220 848 Y HN 0.116 nan 8.280 nan 0.000 0.455 849 P HA -0.201 nan 4.420 nan 0.000 0.265 849 P C -0.225 176.969 177.300 -0.176 0.000 1.132 849 P CA 0.787 63.818 63.100 -0.115 0.000 0.752 849 P CB 0.877 32.506 31.700 -0.119 0.000 0.728 850 L N 2.693 123.841 121.223 -0.124 0.000 3.202 850 L HA 0.286 4.626 4.340 -0.000 0.000 0.166 850 L C 0.582 177.397 176.870 -0.092 0.000 1.204 850 L CA 0.176 54.942 54.840 -0.123 0.000 0.894 850 L CB -0.108 41.883 42.059 -0.115 0.000 1.719 850 L HN 0.234 nan 8.230 nan 0.000 0.562 851 I N -0.607 119.917 120.570 -0.076 0.000 2.577 851 I HA 0.637 4.807 4.170 -0.000 0.000 0.300 851 I C 0.751 176.839 176.117 -0.049 0.000 0.990 851 I CA 0.261 61.526 61.300 -0.059 0.000 1.283 851 I CB 1.091 39.059 38.000 -0.053 0.000 1.411 851 I HN 0.516 nan 8.210 nan 0.000 0.515 852 G N 4.322 113.099 108.800 -0.039 0.000 2.846 852 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.225 852 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.225 852 G C 0.355 175.238 174.900 -0.029 0.000 1.285 852 G CA 0.040 45.122 45.100 -0.031 0.000 1.055 852 G HN 0.657 nan 8.290 nan 0.000 0.579 853 K N 0.149 120.533 120.400 -0.027 0.000 2.329 853 K HA 0.195 4.515 4.320 -0.000 0.000 0.198 853 K C 0.634 177.217 176.600 -0.028 0.000 1.085 853 K CA 1.159 57.432 56.287 -0.023 0.000 0.961 853 K CB 0.442 32.934 32.500 -0.015 0.000 0.971 853 K HN 0.444 nan 8.250 nan 0.000 0.502 854 T N 1.561 116.093 114.554 -0.036 0.000 3.477 854 T HA 0.342 4.692 4.350 -0.000 0.000 0.347 854 T C -0.133 174.519 174.700 -0.080 0.000 1.567 854 T CA -0.366 61.706 62.100 -0.047 0.000 1.169 854 T CB 0.824 69.668 68.868 -0.041 0.000 1.196 854 T HN 0.039 nan 8.240 nan 0.000 0.768 855 A N 3.325 126.099 122.820 -0.076 0.000 3.078 855 A HA 0.523 4.843 4.320 -0.000 0.000 0.279 855 A C 0.745 178.255 177.584 -0.123 0.000 1.594 855 A CA -0.783 51.195 52.037 -0.099 0.000 1.301 855 A CB -0.823 18.134 19.000 -0.071 0.000 1.162 855 A HN 0.720 nan 8.150 nan 0.000 0.585 856 V N 0.980 120.770 119.914 -0.206 0.000 2.694 856 V HA -0.016 4.104 4.120 -0.000 0.000 0.306 856 V C 0.380 176.363 176.094 -0.185 0.000 1.054 856 V CA -0.935 61.215 62.300 -0.251 0.000 1.161 856 V CB -0.276 31.147 31.823 -0.667 0.000 0.916 856 V HN 0.739 nan 8.190 nan 0.000 0.490 857 D N 3.227 123.599 120.400 -0.047 0.000 2.973 857 D HA 0.091 4.731 4.640 -0.000 0.000 0.214 857 D C 0.443 176.729 176.300 -0.023 0.000 1.079 857 D CA 1.088 55.083 54.000 -0.008 0.000 0.797 857 D CB 0.330 41.159 40.800 0.049 0.000 1.168 857 D HN 0.872 nan 8.370 nan 0.000 0.515 858 S N 0.384 116.056 115.700 -0.046 0.000 2.655 858 S HA 0.558 5.028 4.470 -0.000 0.000 0.273 858 S C -0.372 174.190 174.600 -0.063 0.000 1.177 858 S CA -0.726 57.437 58.200 -0.063 0.000 0.918 858 S CB 1.223 64.370 63.200 -0.087 0.000 1.217 858 S HN 0.549 nan 8.310 nan 0.000 0.492 859 I N -0.078 120.449 120.570 -0.071 0.000 3.511 859 I HA 0.724 4.894 4.170 -0.000 0.000 0.314 859 I C -1.230 174.843 176.117 -0.073 0.000 1.231 859 I CA -0.061 61.200 61.300 -0.065 0.000 0.989 859 I CB 2.069 40.033 38.000 -0.059 0.000 1.331 859 I HN 0.963 nan 8.210 nan 0.000 0.465 860 T N -0.756 113.758 114.554 -0.068 0.000 2.671 860 T HA 0.574 4.924 4.350 -0.000 0.000 0.300 860 T C -1.921 172.739 174.700 -0.066 0.000 1.238 860 T CA -0.568 61.486 62.100 -0.077 0.000 1.020 860 T CB 1.986 70.807 68.868 -0.078 0.000 1.503 860 T HN 0.586 nan 8.240 nan 0.000 0.497 861 Q N 0.160 119.915 119.800 -0.076 0.000 2.456 861 Q HA 0.624 4.964 4.340 -0.000 0.000 0.284 861 Q C -1.463 174.526 176.000 -0.019 0.000 1.061 861 Q CA -1.051 54.725 55.803 -0.044 0.000 0.799 861 Q CB 3.069 31.785 28.738 -0.035 0.000 1.445 861 Q HN 0.639 nan 8.270 nan 0.000 0.411 862 K N 0.875 121.300 120.400 0.041 0.000 2.532 862 K HA 0.548 4.868 4.320 -0.000 0.000 0.265 862 K C -1.405 175.280 176.600 0.141 0.000 0.948 862 K CA -0.780 55.568 56.287 0.102 0.000 0.842 862 K CB 2.894 35.427 32.500 0.054 0.000 1.392 862 K HN 0.591 nan 8.250 nan 0.000 0.436 863 K N 1.642 122.166 120.400 0.206 0.000 2.555 863 K HA 0.417 4.737 4.320 -0.000 0.000 0.279 863 K C -0.718 176.030 176.600 0.248 0.000 0.986 863 K CA -0.966 55.425 56.287 0.172 0.000 0.880 863 K CB 1.180 33.807 32.500 0.212 0.000 1.474 863 K HN 0.516 nan 8.250 nan 0.000 0.433 864 F N 0.119 120.078 119.950 0.013 0.000 2.589 864 F HA 0.776 5.303 4.527 -0.000 0.000 0.207 864 F C -0.574 175.199 175.800 -0.045 0.000 1.028 864 F CA -1.366 56.660 58.000 0.043 0.000 1.009 864 F CB 0.410 39.511 39.000 0.169 0.000 2.173 864 F HN 0.341 nan 8.300 nan 0.000 0.637 865 L N 0.600 121.668 121.223 -0.259 0.000 5.724 865 L HA 0.056 4.396 4.340 -0.000 0.000 0.234 865 L C -1.401 175.351 176.870 -0.195 0.000 1.210 865 L CA -0.111 54.418 54.840 -0.519 0.000 0.659 865 L CB -0.329 41.489 42.059 -0.402 0.000 1.390 865 L HN 1.044 nan 8.230 nan 0.000 0.133 866 C N 2.714 121.923 119.300 -0.153 0.000 2.712 866 C HA 0.896 5.356 4.460 -0.000 0.000 0.308 866 C C -0.132 174.771 174.990 -0.145 0.000 1.201 866 C CA -0.046 58.949 59.018 -0.039 0.000 1.554 866 C CB 1.581 29.295 27.740 -0.043 0.000 2.117 866 C HN 0.897 nan 8.230 nan 0.000 0.480 867 D N 1.641 121.954 120.400 -0.146 0.000 2.969 867 D HA 0.248 4.888 4.640 -0.000 0.000 0.317 867 D C 0.744 176.993 176.300 -0.084 0.000 1.650 867 D CA -0.035 53.883 54.000 -0.137 0.000 0.789 867 D CB 0.288 40.934 40.800 -0.256 0.000 1.277 867 D HN 0.638 nan 8.370 nan 0.000 0.463 868 R N -1.053 119.417 120.500 -0.049 0.000 3.969 868 R HA 0.165 4.505 4.340 -0.000 0.000 0.120 868 R C 0.076 176.398 176.300 0.036 0.000 0.681 868 R CA 0.193 56.257 56.100 -0.060 0.000 1.259 868 R CB 0.427 30.595 30.300 -0.221 0.000 1.619 868 R HN 0.066 nan 8.270 nan 0.000 0.452 869 T N 1.444 115.955 114.554 -0.072 0.000 2.904 869 T HA 0.499 4.849 4.350 -0.000 0.000 0.290 869 T C -0.303 174.298 174.700 -0.166 0.000 1.018 869 T CA -0.218 61.819 62.100 -0.104 0.000 1.075 869 T CB 0.696 69.499 68.868 -0.109 0.000 0.986 869 T HN 0.060 nan 8.240 nan 0.000 0.523 870 L N 2.813 123.890 121.223 -0.244 0.000 2.334 870 L HA 0.562 4.902 4.340 -0.000 0.000 0.272 870 L C -0.700 175.986 176.870 -0.307 0.000 1.020 870 L CA -1.111 53.362 54.840 -0.611 0.000 0.812 870 L CB 1.439 43.162 42.059 -0.560 0.000 1.264 870 L HN 0.832 nan 8.230 nan 0.000 0.439 871 W N 2.433 123.781 121.300 0.079 0.000 1.912 871 W HA 0.328 4.988 4.660 -0.000 0.000 0.399 871 W C 0.397 176.918 176.519 0.003 0.000 0.800 871 W CA -0.970 56.383 57.345 0.013 0.000 1.593 871 W CB -0.623 28.813 29.460 -0.040 0.000 1.769 871 W HN 0.300 nan 8.180 nan 0.000 0.281 872 R N 4.263 124.794 120.500 0.053 0.000 2.605 872 R HA 0.115 4.455 4.340 -0.000 0.000 0.271 872 R C -0.715 175.606 176.300 0.036 0.000 1.418 872 R CA -0.040 56.077 56.100 0.029 0.000 1.102 872 R CB -0.664 29.610 30.300 -0.043 0.000 1.131 872 R HN 0.690 nan 8.270 nan 0.000 0.554 873 I N 6.929 127.575 120.570 0.126 0.000 2.337 873 I HA 0.190 4.360 4.170 -0.000 0.000 0.291 873 I C -1.496 174.311 176.117 -0.517 0.000 1.046 873 I CA -2.395 58.932 61.300 0.045 0.000 1.324 873 I CB 0.887 39.140 38.000 0.422 0.000 1.409 873 I HN 0.273 nan 8.210 nan 0.000 0.494 874 P HA -0.176 nan 4.420 nan 0.000 0.250 874 P C -0.006 176.430 177.300 -1.440 0.000 1.363 874 P CA 0.855 63.502 63.100 -0.755 0.000 0.832 874 P CB 0.336 31.816 31.700 -0.367 0.000 1.074 875 F N -2.963 116.297 119.950 -1.151 0.000 2.580 875 F HA 0.161 4.688 4.527 -0.000 0.000 0.395 875 F C -0.350 175.371 175.800 -0.132 0.000 1.157 875 F CA -0.067 57.462 58.000 -0.786 0.000 1.021 875 F CB -0.624 38.145 39.000 -0.385 0.000 2.108 875 F HN -0.077 nan 8.300 nan 0.000 0.439 876 S N -0.631 115.070 115.700 0.002 0.000 2.521 876 S HA 0.344 4.814 4.470 -0.000 0.000 0.278 876 S C 1.220 175.919 174.600 0.165 0.000 1.140 876 S CA 0.148 58.396 58.200 0.081 0.000 1.028 876 S CB 1.176 64.464 63.200 0.147 0.000 1.203 876 S HN 0.185 nan 8.310 nan 0.000 0.491 877 S N 0.873 116.590 115.700 0.027 0.000 2.406 877 S HA 0.017 4.487 4.470 -0.000 0.000 0.224 877 S C 1.245 175.745 174.600 -0.167 0.000 1.030 877 S CA 1.104 59.258 58.200 -0.076 0.000 0.958 877 S CB -0.495 62.658 63.200 -0.079 0.000 0.811 877 S HN 0.754 nan 8.310 nan 0.000 0.489 878 N N -1.574 117.058 118.700 -0.114 0.000 2.143 878 N HA 0.272 5.011 4.740 -0.000 0.000 0.222 878 N C 0.527 175.993 175.510 -0.072 0.000 1.264 878 N CA -0.010 52.912 53.050 -0.214 0.000 0.897 878 N CB 0.183 38.609 38.487 -0.103 0.000 1.092 878 N HN 0.371 nan 8.380 nan 0.000 0.516 879 F N -0.189 119.771 119.950 0.018 0.000 2.571 879 F HA -0.424 4.103 4.527 -0.000 0.000 0.671 879 F C 0.876 176.702 175.800 0.043 0.000 0.488 879 F CA 0.820 58.835 58.000 0.026 0.000 0.731 879 F CB -1.168 37.868 39.000 0.061 0.000 1.619 879 F HN 0.199 nan 8.300 nan 0.000 0.262 880 M N 3.109 122.870 119.600 0.269 0.000 2.248 880 M HA -0.128 4.351 4.480 -0.000 0.000 0.541 880 M C 0.348 176.737 176.300 0.148 0.000 1.391 880 M CA 0.908 56.333 55.300 0.207 0.000 0.720 880 M CB 0.158 32.902 32.600 0.239 0.000 1.916 880 M HN 0.238 nan 8.290 nan 0.000 0.550 881 S N 5.185 120.954 115.700 0.116 0.000 3.631 881 S HA 0.048 4.518 4.470 -0.000 0.000 0.431 881 S C 0.204 174.839 174.600 0.058 0.000 1.132 881 S CA 0.895 59.138 58.200 0.072 0.000 1.188 881 S CB -0.220 63.015 63.200 0.059 0.000 0.805 881 S HN 0.740 nan 8.310 nan 0.000 0.526 882 M N 4.104 123.732 119.600 0.047 0.000 2.120 882 M HA 0.456 4.936 4.480 -0.000 0.000 0.376 882 M C 0.709 177.023 176.300 0.023 0.000 2.204 882 M CA -0.302 55.020 55.300 0.036 0.000 1.494 882 M CB 0.030 32.658 32.600 0.046 0.000 2.730 882 M HN 0.392 nan 8.290 nan 0.000 0.880 883 G N 0.040 108.858 108.800 0.030 0.000 2.415 883 G HA2 0.584 4.544 3.960 -0.000 0.000 0.317 883 G HA3 0.584 4.544 3.960 -0.000 0.000 0.317 883 G C 0.632 175.562 174.900 0.051 0.000 1.152 883 G CA -0.059 45.058 45.100 0.029 0.000 0.956 883 G HN 0.729 nan 8.290 nan 0.000 0.458 884 A N 3.618 126.492 122.820 0.090 0.000 2.104 884 A HA -0.108 4.212 4.320 -0.000 0.000 0.223 884 A C 1.686 179.323 177.584 0.087 0.000 1.164 884 A CA 0.714 52.877 52.037 0.210 0.000 0.659 884 A CB -0.194 19.050 19.000 0.408 0.000 0.808 884 A HN 0.532 nan 8.150 nan 0.000 0.465 885 L N 2.434 123.645 121.223 -0.020 0.000 2.869 885 L HA -0.006 4.334 4.340 -0.000 0.000 0.240 885 L C 1.200 178.056 176.870 -0.024 0.000 1.448 885 L CA 1.065 55.855 54.840 -0.084 0.000 1.158 885 L CB -2.349 39.679 42.059 -0.051 0.000 1.497 885 L HN 0.584 nan 8.230 nan 0.000 0.447 886 T N -2.417 112.153 114.554 0.027 0.000 2.466 886 T HA -0.144 4.206 4.350 -0.000 0.000 0.234 886 T C 0.905 175.560 174.700 -0.074 0.000 1.069 886 T CA -0.258 61.851 62.100 0.014 0.000 1.271 886 T CB -0.336 68.601 68.868 0.116 0.000 1.048 886 T HN 0.424 nan 8.240 nan 0.000 0.487 887 D N 2.673 123.024 120.400 -0.081 0.000 2.436 887 D HA -0.086 4.554 4.640 -0.000 0.000 0.229 887 D C 1.289 177.468 176.300 -0.202 0.000 1.011 887 D CA 0.446 54.389 54.000 -0.095 0.000 1.003 887 D CB -0.006 40.753 40.800 -0.069 0.000 0.857 887 D HN 0.479 nan 8.370 nan 0.000 0.514 888 L N -1.031 119.991 121.223 -0.335 0.000 2.624 888 L HA 0.229 4.569 4.340 -0.000 0.000 0.222 888 L C 2.306 179.116 176.870 -0.099 0.000 1.046 888 L CA 0.749 55.204 54.840 -0.641 0.000 0.872 888 L CB -0.736 40.678 42.059 -1.076 0.000 1.190 888 L HN 0.173 nan 8.230 nan 0.000 0.487 889 G N 0.580 109.399 108.800 0.032 0.000 2.480 889 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.216 889 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.216 889 G C 1.048 176.061 174.900 0.188 0.000 1.200 889 G CA 0.378 45.606 45.100 0.214 0.000 0.782 889 G HN 0.431 nan 8.290 nan 0.000 0.554 890 Q N -0.613 119.248 119.800 0.102 0.000 2.668 890 Q HA 0.044 4.384 4.340 -0.000 0.000 0.441 890 Q C 0.498 176.621 176.000 0.204 0.000 1.115 890 Q CA -0.068 55.799 55.803 0.107 0.000 0.690 890 Q CB -0.483 28.287 28.738 0.052 0.000 4.428 890 Q HN 0.418 nan 8.270 nan 0.000 0.367 891 N N 1.087 119.892 118.700 0.174 0.000 2.702 891 N HA -0.248 4.492 4.740 -0.000 0.000 0.255 891 N C 0.830 176.516 175.510 0.293 0.000 0.983 891 N CA 0.291 53.506 53.050 0.274 0.000 0.768 891 N CB -0.846 37.886 38.487 0.408 0.000 0.918 891 N HN 0.612 nan 8.380 nan 0.000 0.540 892 L N -3.388 117.925 121.223 0.150 0.000 2.646 892 L HA -0.465 3.875 4.340 -0.000 0.000 0.231 892 L C 1.799 178.652 176.870 -0.030 0.000 1.882 892 L CA 2.277 57.156 54.840 0.065 0.000 0.753 892 L CB -1.650 40.416 42.059 0.011 0.000 1.432 892 L HN 0.223 nan 8.230 nan 0.000 0.393 893 L N -0.454 120.637 121.223 -0.220 0.000 2.356 893 L HA -0.250 4.090 4.340 -0.000 0.000 0.219 893 L C 1.963 178.606 176.870 -0.377 0.000 1.095 893 L CA 1.951 56.557 54.840 -0.389 0.000 0.784 893 L CB -1.842 39.901 42.059 -0.527 0.000 0.890 893 L HN 0.587 nan 8.230 nan 0.000 0.441 894 Y N -1.056 119.379 120.300 0.225 0.000 2.955 894 Y HA 0.558 5.108 4.550 -0.000 0.000 0.386 894 Y C 0.842 176.898 175.900 0.261 0.000 1.069 894 Y CA 0.219 58.510 58.100 0.318 0.000 1.764 894 Y CB -0.502 38.115 38.460 0.262 0.000 1.646 894 Y HN 0.157 nan 8.280 nan 0.000 0.486 895 A N 0.241 123.181 122.820 0.199 0.000 2.799 895 A HA 0.418 4.738 4.320 -0.000 0.000 0.308 895 A C 0.839 178.396 177.584 -0.045 0.000 1.108 895 A CA -0.278 51.818 52.037 0.098 0.000 0.600 895 A CB -0.164 18.902 19.000 0.110 0.000 1.452 895 A HN 0.358 nan 8.150 nan 0.000 0.617 896 N N -1.317 117.346 118.700 -0.063 0.000 2.379 896 N HA -0.314 4.426 4.740 -0.000 0.000 0.230 896 N C 0.558 175.956 175.510 -0.186 0.000 0.733 896 N CA 3.671 56.657 53.050 -0.106 0.000 2.635 896 N CB -1.817 36.616 38.487 -0.090 0.000 0.833 896 N HN 1.871 nan 8.380 nan 0.000 0.498 897 S N -0.937 114.590 115.700 -0.288 0.000 2.666 897 S HA 0.777 5.247 4.470 -0.000 0.000 0.279 897 S C 0.060 174.286 174.600 -0.623 0.000 1.149 897 S CA -0.412 57.523 58.200 -0.442 0.000 1.020 897 S CB 1.541 64.432 63.200 -0.514 0.000 1.127 897 S HN 0.960 nan 8.310 nan 0.000 0.537 898 A N 0.809 123.254 122.820 -0.625 0.000 2.323 898 A HA 0.617 4.937 4.320 -0.000 0.000 0.305 898 A C 0.068 177.304 177.584 -0.579 0.000 1.275 898 A CA -0.838 50.869 52.037 -0.551 0.000 0.804 898 A CB 0.122 18.930 19.000 -0.319 0.000 1.152 898 A HN 0.858 nan 8.150 nan 0.000 0.487 899 H N 1.496 120.291 119.070 -0.458 0.000 3.542 899 H HA 0.876 5.432 4.556 -0.000 0.000 0.159 899 H C 0.359 175.459 175.328 -0.381 0.000 1.583 899 H CA -0.244 55.545 56.048 -0.433 0.000 1.628 899 H CB 0.872 30.322 29.762 -0.520 0.000 0.792 899 H HN 1.036 nan 8.280 nan 0.000 0.810 900 A N -0.146 122.542 122.820 -0.220 0.000 2.489 900 A HA 0.431 4.751 4.320 -0.000 0.000 0.293 900 A C -2.212 175.318 177.584 -0.089 0.000 1.004 900 A CA -0.473 51.515 52.037 -0.081 0.000 0.626 900 A CB 1.126 20.062 19.000 -0.107 0.000 1.345 900 A HN 0.317 nan 8.150 nan 0.000 0.447 901 L N 0.210 121.455 121.223 0.037 0.000 2.341 901 L HA 1.043 5.383 4.340 -0.000 0.000 0.254 901 L C -1.169 175.725 176.870 0.040 0.000 1.040 901 L CA 0.066 54.923 54.840 0.029 0.000 0.837 901 L CB 2.292 44.356 42.059 0.009 0.000 1.425 901 L HN 0.988 nan 8.230 nan 0.000 0.414 902 D N 0.294 120.716 120.400 0.036 0.000 2.742 902 D HA 0.732 5.372 4.640 -0.000 0.000 0.262 902 D C -1.436 174.875 176.300 0.019 0.000 1.240 902 D CA -0.224 53.800 54.000 0.040 0.000 0.752 902 D CB 1.348 42.179 40.800 0.052 0.000 1.290 902 D HN 0.522 nan 8.370 nan 0.000 0.420 903 M N -0.095 119.526 119.600 0.035 0.000 2.880 903 M HA 0.594 5.074 4.480 -0.000 0.000 0.269 903 M C -1.516 174.814 176.300 0.050 0.000 1.248 903 M CA -0.551 54.762 55.300 0.021 0.000 0.821 903 M CB 2.697 35.387 32.600 0.149 0.000 1.650 903 M HN 0.338 nan 8.290 nan 0.000 0.479 904 T N 0.373 114.900 114.554 -0.046 0.000 3.486 904 T HA 0.541 4.891 4.350 -0.000 0.000 0.375 904 T C -1.431 173.169 174.700 -0.166 0.000 1.459 904 T CA -0.559 61.567 62.100 0.044 0.000 1.151 904 T CB 1.102 69.966 68.868 -0.008 0.000 1.336 904 T HN 0.480 nan 8.240 nan 0.000 0.477 905 F N 1.201 121.133 119.950 -0.030 0.000 3.162 905 F HA 0.883 5.410 4.527 -0.000 0.000 0.171 905 F C 0.184 175.995 175.800 0.018 0.000 1.616 905 F CA -0.683 57.304 58.000 -0.021 0.000 0.939 905 F CB 0.324 39.283 39.000 -0.068 0.000 1.924 905 F HN 0.644 nan 8.300 nan 0.000 0.267 906 E N 0.045 120.422 120.200 0.295 0.000 3.745 906 E HA 0.497 4.847 4.350 -0.000 0.000 0.349 906 E C -1.902 174.814 176.600 0.194 0.000 1.106 906 E CA -0.336 56.169 56.400 0.175 0.000 0.879 906 E CB 0.693 30.462 29.700 0.114 0.000 1.186 906 E HN 0.508 nan 8.360 nan 0.000 0.519 907 V N 0.010 120.008 119.914 0.140 0.000 3.069 907 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 907 V C -0.665 175.458 176.094 0.048 0.000 1.369 907 V CA -0.882 61.495 62.300 0.129 0.000 1.047 907 V CB 1.587 33.519 31.823 0.183 0.000 1.098 907 V HN 0.674 nan 8.190 nan 0.000 0.473 908 D N 1.541 121.945 120.400 0.007 0.000 2.277 908 D HA 0.534 5.174 4.640 -0.000 0.000 0.249 908 D C -2.496 173.821 176.300 0.028 0.000 1.134 908 D CA -1.625 52.370 54.000 -0.010 0.000 0.863 908 D CB 1.591 42.348 40.800 -0.072 0.000 1.143 908 D HN 0.472 nan 8.370 nan 0.000 0.458 909 P HA 0.019 nan 4.420 nan 0.000 0.237 909 P C -0.375 176.959 177.300 0.056 0.000 1.701 909 P CA 0.093 63.223 63.100 0.050 0.000 0.955 909 P CB -0.239 31.494 31.700 0.054 0.000 1.937 910 M N 2.343 121.971 119.600 0.047 0.000 2.350 910 M HA -0.028 4.452 4.480 -0.000 0.000 0.338 910 M C 1.281 177.593 176.300 0.019 0.000 1.559 910 M CA 0.106 55.432 55.300 0.043 0.000 1.217 910 M CB 0.404 33.020 32.600 0.026 0.000 1.808 910 M HN 0.111 nan 8.290 nan 0.000 0.458 911 D N 3.084 123.489 120.400 0.008 0.000 2.322 911 D HA -0.237 4.403 4.640 -0.000 0.000 0.210 911 D C 0.338 176.631 176.300 -0.011 0.000 0.983 911 D CA 1.224 55.218 54.000 -0.009 0.000 0.902 911 D CB -0.052 40.728 40.800 -0.033 0.000 0.905 911 D HN 0.640 nan 8.370 nan 0.000 0.483 912 E N 1.120 121.313 120.200 -0.013 0.000 2.070 912 E HA 0.225 4.575 4.350 -0.000 0.000 0.282 912 E C -2.326 174.267 176.600 -0.012 0.000 1.104 912 E CA -2.358 54.029 56.400 -0.021 0.000 0.876 912 E CB 1.156 30.832 29.700 -0.041 0.000 1.055 912 E HN -0.085 nan 8.360 nan 0.000 0.401 913 P HA -0.072 nan 4.420 nan 0.000 0.219 913 P C -0.589 176.716 177.300 0.009 0.000 1.501 913 P CA 0.384 63.488 63.100 0.008 0.000 1.124 913 P CB -0.762 30.945 31.700 0.012 0.000 1.848 914 T N -0.533 114.022 114.554 0.001 0.000 2.616 914 T HA 0.121 4.471 4.350 -0.000 0.000 0.327 914 T C 0.527 175.235 174.700 0.013 0.000 1.049 914 T CA -0.403 61.694 62.100 -0.005 0.000 1.022 914 T CB 0.445 69.309 68.868 -0.007 0.000 1.009 914 T HN -0.078 nan 8.240 nan 0.000 0.535 915 L N -0.330 120.898 121.223 0.008 0.000 2.491 915 L HA 0.805 5.145 4.340 -0.000 0.000 0.264 915 L C -0.446 176.442 176.870 0.029 0.000 1.053 915 L CA -1.013 53.838 54.840 0.019 0.000 0.858 915 L CB 1.301 43.358 42.059 -0.004 0.000 1.519 915 L HN 0.762 nan 8.230 nan 0.000 0.508 916 L N -0.363 120.881 121.223 0.035 0.000 2.370 916 L HA 0.497 4.837 4.340 -0.000 0.000 0.266 916 L C -1.613 175.298 176.870 0.070 0.000 1.002 916 L CA -0.419 54.448 54.840 0.046 0.000 0.818 916 L CB 1.591 43.671 42.059 0.034 0.000 1.325 916 L HN 0.406 nan 8.230 nan 0.000 0.418 917 Y N 3.937 124.185 120.300 -0.087 0.000 2.409 917 Y HA 0.801 5.351 4.550 -0.000 0.000 0.339 917 Y C -1.256 174.542 175.900 -0.170 0.000 1.033 917 Y CA -1.575 56.432 58.100 -0.155 0.000 1.094 917 Y CB 1.838 40.223 38.460 -0.125 0.000 1.210 917 Y HN 0.384 nan 8.280 nan 0.000 0.456 918 V N 7.772 127.543 119.914 -0.238 0.000 2.711 918 V HA 0.404 4.524 4.120 -0.000 0.000 0.304 918 V C -1.070 174.572 176.094 -0.753 0.000 1.097 918 V CA -0.752 61.163 62.300 -0.642 0.000 0.906 918 V CB 1.988 33.505 31.823 -0.510 0.000 1.015 918 V HN 0.680 nan 8.190 nan 0.000 0.427 919 L N 2.592 123.193 121.223 -1.038 0.000 3.474 919 L HA 0.399 4.739 4.340 -0.000 0.000 0.376 919 L C -0.469 176.127 176.870 -0.457 0.000 1.298 919 L CA -0.240 54.224 54.840 -0.626 0.000 1.019 919 L CB -1.974 39.850 42.059 -0.391 0.000 1.289 919 L HN 0.410 nan 8.230 nan 0.000 0.578 920 F N 1.273 121.221 119.950 -0.004 0.000 2.569 920 F HA -0.008 4.519 4.527 -0.000 0.000 0.372 920 F C 1.449 177.155 175.800 -0.157 0.000 1.053 920 F CA 0.617 58.716 58.000 0.165 0.000 1.282 920 F CB 0.242 39.581 39.000 0.566 0.000 0.956 920 F HN 0.222 nan 8.300 nan 0.000 0.591 921 E N 2.051 122.137 120.200 -0.191 0.000 2.324 921 E HA 0.281 4.631 4.350 -0.000 0.000 0.271 921 E C 0.113 176.027 176.600 -1.144 0.000 1.028 921 E CA -0.329 55.730 56.400 -0.568 0.000 0.890 921 E CB 1.201 30.602 29.700 -0.498 0.000 1.004 921 E HN 0.515 nan 8.360 nan 0.000 0.431 922 V N 1.451 120.808 119.914 -0.927 0.000 3.998 922 V HA 0.685 4.805 4.120 -0.000 0.000 0.297 922 V C -1.154 174.489 176.094 -0.751 0.000 1.378 922 V CA -0.644 61.143 62.300 -0.855 0.000 0.949 922 V CB 1.083 32.641 31.823 -0.442 0.000 1.258 922 V HN 0.462 nan 8.190 nan 0.000 0.471 923 F N 0.301 120.168 119.950 -0.138 0.000 2.591 923 F HA 0.862 5.389 4.527 -0.000 0.000 0.309 923 F C -0.662 175.144 175.800 0.011 0.000 1.098 923 F CA -0.116 57.860 58.000 -0.040 0.000 0.937 923 F CB 1.999 41.010 39.000 0.018 0.000 1.250 923 F HN 0.881 nan 8.300 nan 0.000 0.447 924 D N 0.733 121.263 120.400 0.216 0.000 2.951 924 D HA 0.582 5.222 4.640 -0.000 0.000 0.262 924 D C -1.477 174.973 176.300 0.250 0.000 1.110 924 D CA -0.188 53.935 54.000 0.205 0.000 0.724 924 D CB 1.554 42.428 40.800 0.122 0.000 1.516 924 D HN 0.266 nan 8.370 nan 0.000 0.447 925 V N 0.316 120.479 119.914 0.415 0.000 6.580 925 V HA 0.809 4.929 4.120 -0.000 0.000 0.143 925 V C -0.150 176.316 176.094 0.619 0.000 1.322 925 V CA 0.341 63.028 62.300 0.644 0.000 1.037 925 V CB 0.541 32.615 31.823 0.419 0.000 2.163 925 V HN 1.057 nan 8.190 nan 0.000 0.348 926 V N -1.270 118.801 119.914 0.261 0.000 3.208 926 V HA 0.733 4.853 4.120 -0.000 0.000 0.267 926 V C -1.047 175.032 176.094 -0.024 0.000 1.892 926 V CA -0.445 61.849 62.300 -0.011 0.000 0.979 926 V CB 1.577 33.304 31.823 -0.159 0.000 1.319 926 V HN 1.268 nan 8.190 nan 0.000 0.467 927 R N 0.102 120.543 120.500 -0.098 0.000 2.993 927 R HA 0.788 5.128 4.340 -0.000 0.000 0.288 927 R C -2.437 173.813 176.300 -0.082 0.000 0.982 927 R CA -0.110 55.959 56.100 -0.051 0.000 0.832 927 R CB 1.682 31.973 30.300 -0.015 0.000 1.340 927 R HN 2.294 nan 8.270 nan 0.000 0.516 928 V N -1.697 118.182 119.914 -0.058 0.000 3.106 928 V HA 0.365 4.485 4.120 -0.000 0.000 0.280 928 V C -1.262 174.829 176.094 -0.005 0.000 1.525 928 V CA -0.952 61.328 62.300 -0.034 0.000 0.999 928 V CB 1.676 33.470 31.823 -0.048 0.000 1.186 928 V HN 0.971 nan 8.190 nan 0.000 0.448 929 H N 2.347 121.407 119.070 -0.016 0.000 2.788 929 H HA 0.510 5.066 4.556 -0.000 0.000 0.254 929 H C 0.421 175.751 175.328 0.004 0.000 1.541 929 H CA -0.333 55.712 56.048 -0.007 0.000 1.295 929 H CB 0.482 30.236 29.762 -0.013 0.000 1.592 929 H HN 0.646 nan 8.280 nan 0.000 0.545 930 R N 5.191 125.802 120.500 0.186 0.000 2.666 930 R HA 0.189 4.529 4.340 -0.000 0.000 0.275 930 R C -2.419 173.988 176.300 0.177 0.000 1.266 930 R CA -1.721 54.478 56.100 0.165 0.000 1.401 930 R CB 0.549 30.930 30.300 0.135 0.000 1.145 930 R HN 0.401 nan 8.270 nan 0.000 0.581 931 P HA 0.146 nan 4.420 nan 0.000 0.275 931 P C -0.271 177.150 177.300 0.201 0.000 1.310 931 P CA 0.352 63.543 63.100 0.152 0.000 0.904 931 P CB 0.515 32.279 31.700 0.108 0.000 1.381 932 H N -0.240 118.871 119.070 0.068 0.000 3.980 932 H HA 0.528 5.084 4.556 -0.000 0.000 0.225 932 H C 0.114 175.457 175.328 0.024 0.000 1.531 932 H CA -0.718 55.351 56.048 0.034 0.000 1.357 932 H CB 0.941 30.709 29.762 0.010 0.000 0.873 932 H HN -0.312 nan 8.280 nan 0.000 0.645 933 R N 0.002 120.573 120.500 0.119 0.000 2.674 933 R HA 0.252 4.592 4.340 -0.000 0.000 0.270 933 R C -0.747 175.452 176.300 -0.168 0.000 1.492 933 R CA 0.471 56.553 56.100 -0.030 0.000 1.624 933 R CB 0.346 30.607 30.300 -0.065 0.000 1.307 933 R HN 0.832 nan 8.270 nan 0.000 0.683 934 G N 0.193 108.836 108.800 -0.262 0.000 2.240 934 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.181 934 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.181 934 G C -0.892 173.972 174.900 -0.059 0.000 1.028 934 G CA -0.070 44.679 45.100 -0.585 0.000 0.760 934 G HN 0.245 nan 8.290 nan 0.000 0.508 935 V N 1.207 121.212 119.914 0.153 0.000 2.495 935 V HA 0.877 4.997 4.120 -0.000 0.000 0.298 935 V C 0.332 176.569 176.094 0.238 0.000 1.031 935 V CA -0.241 62.172 62.300 0.188 0.000 0.871 935 V CB 1.380 33.256 31.823 0.089 0.000 0.988 935 V HN 0.492 nan 8.190 nan 0.000 0.432 936 I N 1.499 122.179 120.570 0.184 0.000 3.747 936 I HA 0.776 4.946 4.170 -0.000 0.000 0.292 936 I C -0.363 175.805 176.117 0.085 0.000 1.173 936 I CA -0.745 60.630 61.300 0.125 0.000 1.233 936 I CB 0.948 38.994 38.000 0.077 0.000 1.254 936 I HN 0.503 nan 8.210 nan 0.000 0.419 937 E N -0.862 119.370 120.200 0.053 0.000 2.395 937 E HA 0.259 4.609 4.350 -0.000 0.000 0.273 937 E C -1.716 174.889 176.600 0.009 0.000 1.206 937 E CA -0.477 55.950 56.400 0.044 0.000 0.899 937 E CB 1.730 31.466 29.700 0.061 0.000 1.405 937 E HN 0.705 nan 8.360 nan 0.000 0.418 938 T N -0.349 114.224 114.554 0.031 0.000 2.758 938 T HA 0.589 4.939 4.350 -0.000 0.000 0.285 938 T C -0.810 173.890 174.700 0.000 0.000 0.981 938 T CA -0.396 61.719 62.100 0.025 0.000 0.965 938 T CB 0.294 69.272 68.868 0.184 0.000 0.927 938 T HN 0.164 nan 8.240 nan 0.000 0.448 939 V N 7.306 127.090 119.914 -0.217 0.000 2.538 939 V HA 0.585 4.705 4.120 -0.000 0.000 0.265 939 V C -1.435 174.639 176.094 -0.034 0.000 0.977 939 V CA -0.958 61.296 62.300 -0.077 0.000 0.852 939 V CB -0.189 31.595 31.823 -0.066 0.000 1.058 939 V HN 0.968 nan 8.190 nan 0.000 0.462 940 Y N 2.241 122.606 120.300 0.108 0.000 2.673 940 Y HA 0.747 5.297 4.550 -0.000 0.000 0.357 940 Y C -1.910 174.055 175.900 0.108 0.000 1.211 940 Y CA -2.363 55.810 58.100 0.122 0.000 1.307 940 Y CB 0.730 39.285 38.460 0.158 0.000 1.384 940 Y HN 0.567 nan 8.280 nan 0.000 0.499 941 L N 2.327 123.688 121.223 0.230 0.000 2.465 941 L HA 0.782 5.122 4.340 -0.000 0.000 0.257 941 L C -1.271 175.668 176.870 0.115 0.000 0.988 941 L CA -0.958 53.953 54.840 0.118 0.000 0.827 941 L CB 2.683 44.821 42.059 0.131 0.000 1.397 941 L HN 0.892 nan 8.230 nan 0.000 0.410 942 R N 1.912 122.465 120.500 0.087 0.000 2.246 942 R HA 0.497 4.837 4.340 -0.000 0.000 0.332 942 R C -1.348 175.057 176.300 0.175 0.000 0.974 942 R CA -0.205 55.963 56.100 0.114 0.000 0.837 942 R CB 1.463 31.796 30.300 0.057 0.000 1.145 942 R HN 0.676 nan 8.270 nan 0.000 0.467 943 T N 6.909 121.595 114.554 0.219 0.000 2.779 943 T HA 0.328 4.678 4.350 -0.000 0.000 0.280 943 T C -2.523 172.390 174.700 0.355 0.000 0.987 943 T CA -1.564 60.712 62.100 0.292 0.000 0.966 943 T CB 1.701 70.713 68.868 0.240 0.000 0.933 943 T HN 0.453 nan 8.240 nan 0.000 0.442 944 P HA -0.081 nan 4.420 nan 0.000 0.261 944 P C -0.411 177.306 177.300 0.695 0.000 1.140 944 P CA 0.425 63.932 63.100 0.678 0.000 0.757 944 P CB -0.357 31.762 31.700 0.699 0.000 0.735 945 F N 0.173 120.268 119.950 0.241 0.000 2.355 945 F HA -0.224 4.303 4.527 -0.000 0.000 0.340 945 F C 1.316 177.192 175.800 0.126 0.000 1.097 945 F CA 0.238 58.334 58.000 0.159 0.000 1.174 945 F CB -2.780 36.316 39.000 0.160 0.000 1.642 945 F HN 0.217 nan 8.300 nan 0.000 0.791 946 S N 0.963 116.823 115.700 0.267 0.000 2.081 946 S HA 0.412 4.882 4.470 -0.000 0.000 0.167 946 S C 1.786 176.472 174.600 0.145 0.000 1.409 946 S CA 0.336 58.646 58.200 0.184 0.000 2.079 946 S CB -0.534 62.751 63.200 0.142 0.000 0.384 946 S HN 2.058 nan 8.310 nan 0.000 0.360 947 A N 0.026 122.910 122.820 0.106 0.000 2.869 947 A HA -0.150 4.170 4.320 -0.000 0.000 0.272 947 A C 1.152 178.786 177.584 0.083 0.000 1.332 947 A CA 1.155 53.242 52.037 0.084 0.000 0.939 947 A CB -2.333 16.712 19.000 0.075 0.000 1.018 947 A HN 1.360 nan 8.150 nan 0.000 0.696 948 G N 0.043 108.899 108.800 0.092 0.000 3.353 948 G HA2 0.341 4.301 3.960 -0.000 0.000 0.247 948 G HA3 0.341 4.301 3.960 -0.000 0.000 0.247 948 G C 0.232 175.173 174.900 0.069 0.000 1.025 948 G CA 0.388 45.531 45.100 0.073 0.000 1.863 948 G HN 0.673 nan 8.290 nan 0.000 0.635 949 N N 0.390 119.131 118.700 0.069 0.000 2.104 949 N HA 0.223 4.963 4.740 -0.000 0.000 0.252 949 N C 0.485 176.043 175.510 0.080 0.000 1.224 949 N CA 1.617 54.710 53.050 0.072 0.000 0.844 949 N CB 0.402 38.924 38.487 0.057 0.000 1.074 949 N HN 0.657 nan 8.380 nan 0.000 0.464 950 A N 0.000 122.881 122.820 0.101 0.000 2.254 950 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 950 A CA 0.000 52.114 52.037 0.129 0.000 0.836 950 A CB 0.000 19.126 19.000 0.209 0.000 0.831 950 A HN 0.000 nan 8.150 nan 0.000 0.486