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_F 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 NTETLTKVKP KTGQENGWEK 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 RTPFSAGN 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 0.000 177.577 177.584 -0.012 0.000 1.274 2 A CA 0.000 52.032 52.037 -0.009 0.000 0.836 2 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 3 T N 2.567 117.114 114.554 -0.011 0.000 0.542 3 T HA 0.004 4.354 4.350 -0.000 0.000 0.774 3 T C -2.208 172.480 174.700 -0.020 0.000 0.992 3 T CA 1.146 63.236 62.100 -0.016 0.000 4.076 3 T CB -0.680 68.174 68.868 -0.023 0.000 2.302 3 T HN 0.679 nan 8.240 nan 0.000 0.398 4 P HA 0.545 nan 4.420 nan 0.000 0.279 4 P C -0.673 176.596 177.300 -0.051 0.000 1.282 4 P CA -0.763 62.327 63.100 -0.018 0.000 0.788 4 P CB 0.608 32.310 31.700 0.004 0.000 1.139 5 S N 0.642 116.312 115.700 -0.051 0.000 2.508 5 S HA 0.788 5.258 4.470 -0.000 0.000 0.284 5 S C -0.287 174.137 174.600 -0.294 0.000 1.192 5 S CA -0.374 57.754 58.200 -0.120 0.000 1.070 5 S CB -0.559 62.610 63.200 -0.051 0.000 1.004 5 S HN 0.676 nan 8.310 nan 0.000 0.493 6 M N 3.234 122.520 119.600 -0.523 0.000 2.779 6 M HA 0.250 4.730 4.480 -0.000 0.000 0.481 6 M C -2.441 173.324 176.300 -0.893 0.000 1.833 6 M CA -0.558 54.030 55.300 -1.187 0.000 0.800 6 M CB 0.687 32.650 32.600 -1.061 0.000 3.414 6 M HN 0.634 nan 8.290 nan 0.000 0.534 7 M N 1.754 120.700 119.600 -1.089 0.000 2.326 7 M HA 0.431 4.911 4.480 -0.000 0.000 0.292 7 M C -2.258 173.831 176.300 -0.351 0.000 1.081 7 M CA -1.087 53.904 55.300 -0.514 0.000 0.919 7 M CB 2.467 34.882 32.600 -0.308 0.000 1.634 7 M HN 0.452 nan 8.290 nan 0.000 0.451 8 P HA -0.146 nan 4.420 nan 0.000 0.258 8 P C 0.215 177.545 177.300 0.050 0.000 1.249 8 P CA 1.133 64.213 63.100 -0.033 0.000 0.751 8 P CB 0.115 31.809 31.700 -0.010 0.000 0.994 9 Q N -2.521 117.333 119.800 0.090 0.000 2.387 9 Q HA 0.031 4.371 4.340 -0.000 0.000 0.208 9 Q C 1.246 177.428 176.000 0.304 0.000 0.935 9 Q CA 0.735 56.649 55.803 0.186 0.000 0.891 9 Q CB -0.429 28.457 28.738 0.246 0.000 1.007 9 Q HN 0.110 nan 8.270 nan 0.000 0.548 10 W N 1.245 122.552 121.300 0.011 0.000 1.365 10 W HA -0.251 4.409 4.660 -0.000 0.000 0.267 10 W C 2.388 178.926 176.519 0.032 0.000 0.800 10 W CA 1.425 58.779 57.345 0.014 0.000 0.897 10 W CB -1.965 27.505 29.460 0.018 0.000 0.996 10 W HN 0.286 nan 8.180 nan 0.000 0.547 11 S N -0.182 115.726 115.700 0.347 0.000 2.472 11 S HA -0.495 3.975 4.470 -0.000 0.000 0.292 11 S C 1.806 176.519 174.600 0.190 0.000 1.175 11 S CA 2.355 60.678 58.200 0.206 0.000 1.249 11 S CB -2.040 61.246 63.200 0.144 0.000 1.208 11 S HN 0.427 nan 8.310 nan 0.000 0.442 12 Y N 0.777 121.101 120.300 0.040 0.000 2.516 12 Y HA -0.091 4.459 4.550 -0.000 0.000 0.284 12 Y C 1.611 177.425 175.900 -0.143 0.000 1.166 12 Y CA 1.154 59.248 58.100 -0.010 0.000 1.350 12 Y CB -0.000 38.460 38.460 -0.000 0.000 0.967 12 Y HN 0.288 nan 8.280 nan 0.000 0.568 13 M N -0.100 119.527 119.600 0.045 0.000 2.809 13 M HA 0.130 4.610 4.480 -0.000 0.000 0.388 13 M C -0.267 175.900 176.300 -0.222 0.000 1.248 13 M CA -0.096 55.069 55.300 -0.224 0.000 0.885 13 M CB -0.696 31.839 32.600 -0.108 0.000 1.386 13 M HN 0.265 nan 8.290 nan 0.000 0.509 14 H N -1.856 117.182 119.070 -0.054 0.000 3.538 14 H HA -0.225 4.331 4.556 -0.000 0.000 0.237 14 H C 1.314 176.617 175.328 -0.042 0.000 1.048 14 H CA 1.530 57.495 56.048 -0.138 0.000 1.204 14 H CB -2.213 27.480 29.762 -0.115 0.000 1.226 14 H HN 0.468 nan 8.280 nan 0.000 0.318 15 I N -0.333 120.279 120.570 0.071 0.000 2.761 15 I HA -0.141 4.029 4.170 -0.000 0.000 0.266 15 I C 1.018 177.141 176.117 0.010 0.000 1.239 15 I CA 1.464 62.753 61.300 -0.017 0.000 1.451 15 I CB -0.020 37.950 38.000 -0.051 0.000 1.096 15 I HN 0.245 nan 8.210 nan 0.000 0.465 16 S N -0.582 115.200 115.700 0.136 0.000 2.543 16 S HA 0.647 5.117 4.470 -0.000 0.000 0.273 16 S C -0.287 174.392 174.600 0.132 0.000 1.152 16 S CA 0.040 58.354 58.200 0.191 0.000 0.910 16 S CB 1.357 64.832 63.200 0.458 0.000 1.105 16 S HN 0.519 nan 8.310 nan 0.000 0.465 17 G N 3.575 112.445 108.800 0.117 0.000 2.348 17 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.199 17 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.199 17 G C -1.367 173.592 174.900 0.098 0.000 1.235 17 G CA -0.531 44.627 45.100 0.097 0.000 1.264 17 G HN 0.893 nan 8.290 nan 0.000 0.543 18 Q N 1.363 121.241 119.800 0.129 0.000 2.247 18 Q HA 0.341 4.681 4.340 -0.000 0.000 0.288 18 Q C 0.008 176.101 176.000 0.155 0.000 1.079 18 Q CA 0.579 56.482 55.803 0.166 0.000 0.932 18 Q CB 0.392 29.306 28.738 0.293 0.000 1.133 18 Q HN 0.476 nan 8.270 nan 0.000 0.377 19 D N 2.831 123.282 120.400 0.084 0.000 2.486 19 D HA 0.016 4.656 4.640 -0.000 0.000 0.264 19 D C 0.490 176.810 176.300 0.033 0.000 1.305 19 D CA 1.168 55.202 54.000 0.056 0.000 0.986 19 D CB -0.222 40.596 40.800 0.030 0.000 0.980 19 D HN 0.692 nan 8.370 nan 0.000 0.492 20 A N -0.584 122.276 122.820 0.066 0.000 4.632 20 A HA -0.186 4.134 4.320 -0.000 0.000 0.234 20 A C 0.974 178.265 177.584 -0.488 0.000 2.421 20 A CA 0.153 52.145 52.037 -0.075 0.000 0.727 20 A CB -1.683 17.257 19.000 -0.100 0.000 0.873 20 A HN 0.633 nan 8.150 nan 0.000 0.295 21 S N 1.443 116.859 115.700 -0.473 0.000 3.737 21 S HA 0.345 4.815 4.470 -0.000 0.000 0.182 21 S C 0.332 174.679 174.600 -0.422 0.000 1.072 21 S CA 1.420 59.303 58.200 -0.528 0.000 1.014 21 S CB -0.882 62.136 63.200 -0.303 0.000 1.471 21 S HN 0.680 nan 8.310 nan 0.000 0.447 22 E N -0.412 119.467 120.200 -0.535 0.000 2.703 22 E HA 0.106 4.456 4.350 -0.000 0.000 0.214 22 E C 0.067 176.559 176.600 -0.181 0.000 0.944 22 E CA -0.054 56.192 56.400 -0.257 0.000 1.299 22 E CB 0.323 29.960 29.700 -0.105 0.000 1.189 22 E HN 0.875 nan 8.360 nan 0.000 0.597 23 Y N -1.321 118.911 120.300 -0.114 0.000 2.453 23 Y HA 0.403 4.953 4.550 -0.000 0.000 0.247 23 Y C 0.437 176.295 175.900 -0.069 0.000 1.124 23 Y CA -0.629 57.423 58.100 -0.079 0.000 1.243 23 Y CB 0.632 39.041 38.460 -0.085 0.000 1.213 23 Y HN -0.107 nan 8.280 nan 0.000 0.523 24 L N 2.517 123.493 121.223 -0.413 0.000 2.270 24 L HA 0.330 4.670 4.340 -0.000 0.000 0.286 24 L C 0.441 177.239 176.870 -0.121 0.000 1.059 24 L CA 0.159 54.881 54.840 -0.195 0.000 0.839 24 L CB 0.184 42.016 42.059 -0.378 0.000 1.221 24 L HN 0.403 nan 8.230 nan 0.000 0.431 25 S N 5.971 121.658 115.700 -0.022 0.000 3.866 25 S HA -0.116 4.354 4.470 -0.000 0.000 0.232 25 S C -1.369 173.215 174.600 -0.026 0.000 0.711 25 S CA -0.501 57.696 58.200 -0.006 0.000 1.361 25 S CB -0.120 63.088 63.200 0.014 0.000 1.635 25 S HN 0.549 nan 8.310 nan 0.000 0.388 26 P HA -0.117 nan 4.420 nan 0.000 0.222 26 P C 1.289 178.584 177.300 -0.008 0.000 1.139 26 P CA 1.453 64.530 63.100 -0.038 0.000 0.790 26 P CB -0.134 31.551 31.700 -0.025 0.000 0.757 27 G N -1.649 107.163 108.800 0.020 0.000 2.887 27 G HA2 0.004 3.964 3.960 -0.000 0.000 0.211 27 G HA3 0.004 3.964 3.960 -0.000 0.000 0.211 27 G C 0.557 175.536 174.900 0.131 0.000 1.152 27 G CA 0.025 45.156 45.100 0.052 0.000 0.769 27 G HN 0.229 nan 8.290 nan 0.000 0.541 28 L N 1.358 122.654 121.223 0.121 0.000 3.084 28 L HA 0.561 4.901 4.340 -0.000 0.000 0.238 28 L C 0.627 177.579 176.870 0.138 0.000 1.327 28 L CA -0.110 54.845 54.840 0.192 0.000 1.094 28 L CB 0.568 42.647 42.059 0.032 0.000 1.477 28 L HN -0.086 nan 8.230 nan 0.000 0.514 29 V N -0.478 119.527 119.914 0.153 0.000 3.539 29 V HA 0.213 4.333 4.120 -0.000 0.000 0.262 29 V C 0.887 177.047 176.094 0.110 0.000 1.381 29 V CA 0.207 62.544 62.300 0.062 0.000 1.060 29 V CB 0.461 32.272 31.823 -0.020 0.000 0.842 29 V HN 0.388 nan 8.190 nan 0.000 0.445 30 Q N 0.023 119.893 119.800 0.118 0.000 3.041 30 Q HA 0.360 4.700 4.340 -0.000 0.000 0.372 30 Q C -0.243 175.654 176.000 -0.171 0.000 1.241 30 Q CA 0.113 55.903 55.803 -0.021 0.000 1.010 30 Q CB 0.133 28.806 28.738 -0.109 0.000 1.467 30 Q HN 0.585 nan 8.270 nan 0.000 0.462 31 F N -0.242 119.719 119.950 0.017 0.000 2.683 31 F HA 0.493 5.020 4.527 -0.000 0.000 0.306 31 F C 0.328 176.176 175.800 0.080 0.000 1.102 31 F CA -0.376 57.653 58.000 0.048 0.000 1.244 31 F CB 1.277 40.313 39.000 0.060 0.000 1.029 31 F HN 0.127 nan 8.300 nan 0.000 0.545 32 A N 0.751 123.672 122.820 0.168 0.000 1.346 32 A HA 0.415 4.735 4.320 -0.000 0.000 0.225 32 A C 0.207 177.843 177.584 0.086 0.000 0.958 32 A CA -0.711 51.410 52.037 0.140 0.000 0.740 32 A CB -0.344 18.793 19.000 0.229 0.000 0.733 32 A HN 0.379 nan 8.150 nan 0.000 0.326 33 R N 0.815 121.341 120.500 0.044 0.000 2.276 33 R HA 0.632 4.972 4.340 -0.000 0.000 0.195 33 R C 1.441 177.755 176.300 0.022 0.000 0.908 33 R CA 1.599 57.712 56.100 0.023 0.000 1.083 33 R CB -0.023 30.278 30.300 0.001 0.000 1.182 33 R HN 1.119 nan 8.270 nan 0.000 0.608 34 A N 0.895 123.726 122.820 0.018 0.000 2.014 34 A HA 0.091 4.411 4.320 -0.000 0.000 0.210 34 A C 1.391 178.992 177.584 0.028 0.000 1.188 34 A CA 0.815 52.860 52.037 0.013 0.000 0.731 34 A CB -0.315 18.681 19.000 -0.006 0.000 0.858 34 A HN 0.420 nan 8.150 nan 0.000 0.464 35 T N 0.251 114.831 114.554 0.044 0.000 3.820 35 T HA 0.179 4.529 4.350 -0.000 0.000 0.224 35 T C 0.589 175.379 174.700 0.150 0.000 0.869 35 T CA 0.323 62.475 62.100 0.086 0.000 0.932 35 T CB -0.782 68.130 68.868 0.072 0.000 1.259 35 T HN 0.635 nan 8.240 nan 0.000 0.676 36 E N 0.922 121.181 120.200 0.099 0.000 2.510 36 E HA -0.030 4.320 4.350 -0.000 0.000 0.202 36 E C -0.014 176.652 176.600 0.109 0.000 1.072 36 E CA 0.181 56.636 56.400 0.091 0.000 0.883 36 E CB -0.551 29.183 29.700 0.056 0.000 0.818 36 E HN 0.707 nan 8.360 nan 0.000 0.548 37 T N -1.604 113.040 114.554 0.149 0.000 3.483 37 T HA 0.358 4.708 4.350 -0.000 0.000 0.329 37 T C -0.654 174.202 174.700 0.261 0.000 1.014 37 T CA -0.656 61.538 62.100 0.158 0.000 1.056 37 T CB 0.699 69.631 68.868 0.106 0.000 1.090 37 T HN 0.375 nan 8.240 nan 0.000 0.460 38 Y N 1.130 121.488 120.300 0.097 0.000 3.039 38 Y HA 0.397 4.947 4.550 -0.000 0.000 0.350 38 Y C -1.549 174.486 175.900 0.226 0.000 0.913 38 Y CA -0.419 57.732 58.100 0.085 0.000 0.895 38 Y CB 0.233 38.692 38.460 -0.002 0.000 1.350 38 Y HN 0.587 nan 8.280 nan 0.000 0.506 39 F N 2.907 122.504 119.950 -0.588 0.000 2.675 39 F HA 0.345 4.872 4.527 -0.000 0.000 0.390 39 F C 0.084 175.731 175.800 -0.255 0.000 1.421 39 F CA -0.823 56.824 58.000 -0.588 0.000 1.091 39 F CB 0.155 38.547 39.000 -1.013 0.000 2.085 39 F HN 0.130 nan 8.300 nan 0.000 0.525 40 S N 1.241 116.953 115.700 0.020 0.000 3.442 40 S HA 0.021 4.491 4.470 -0.000 0.000 0.237 40 S C 0.890 175.482 174.600 -0.013 0.000 0.992 40 S CA 0.027 58.242 58.200 0.024 0.000 1.381 40 S CB -0.705 62.513 63.200 0.030 0.000 1.566 40 S HN 0.453 nan 8.310 nan 0.000 0.559 41 L N 1.476 122.691 121.223 -0.013 0.000 2.805 41 L HA 0.221 4.561 4.340 -0.000 0.000 0.237 41 L C 1.534 178.434 176.870 0.050 0.000 1.252 41 L CA -0.274 54.554 54.840 -0.021 0.000 1.064 41 L CB -0.506 41.525 42.059 -0.047 0.000 1.361 41 L HN 0.376 nan 8.230 nan 0.000 0.474 42 N N 0.890 119.622 118.700 0.052 0.000 2.409 42 N HA -0.113 4.627 4.740 -0.000 0.000 0.179 42 N C 1.568 177.140 175.510 0.104 0.000 1.032 42 N CA 0.868 53.962 53.050 0.074 0.000 0.898 42 N CB 0.035 38.554 38.487 0.053 0.000 0.971 42 N HN 0.570 nan 8.380 nan 0.000 0.441 43 N N 1.149 119.889 118.700 0.066 0.000 2.250 43 N HA -0.087 4.653 4.740 -0.000 0.000 0.181 43 N C 1.027 176.570 175.510 0.054 0.000 1.017 43 N CA 0.897 53.979 53.050 0.054 0.000 0.866 43 N CB -0.482 38.011 38.487 0.011 0.000 0.985 43 N HN 0.056 nan 8.380 nan 0.000 0.429 44 K N -0.632 119.794 120.400 0.043 0.000 2.520 44 K HA -0.121 4.199 4.320 -0.000 0.000 0.198 44 K C -0.552 175.984 176.600 -0.107 0.000 1.045 44 K CA 0.711 56.985 56.287 -0.023 0.000 0.934 44 K CB -0.429 32.074 32.500 0.006 0.000 0.766 44 K HN 0.281 nan 8.250 nan 0.000 0.483 45 F N 1.120 121.082 119.950 0.021 0.000 2.659 45 F HA 0.177 4.704 4.527 -0.000 0.000 0.342 45 F C 0.383 176.208 175.800 0.042 0.000 1.168 45 F CA -1.350 56.681 58.000 0.051 0.000 1.003 45 F CB 1.296 40.325 39.000 0.048 0.000 1.267 45 F HN -0.131 nan 8.300 nan 0.000 0.463 46 R N 1.399 121.999 120.500 0.167 0.000 2.808 46 R HA 0.014 4.354 4.340 -0.000 0.000 0.215 46 R C -0.373 176.012 176.300 0.141 0.000 1.569 46 R CA -0.001 56.168 56.100 0.116 0.000 1.396 46 R CB -1.179 29.162 30.300 0.068 0.000 1.048 46 R HN 0.397 nan 8.270 nan 0.000 0.501 47 N N 1.687 120.501 118.700 0.190 0.000 2.661 47 N HA -0.132 4.608 4.740 -0.000 0.000 0.304 47 N C -2.277 173.303 175.510 0.118 0.000 1.273 47 N CA 0.852 53.986 53.050 0.141 0.000 0.684 47 N CB -0.078 38.459 38.487 0.084 0.000 1.036 47 N HN 0.412 nan 8.380 nan 0.000 0.527 48 P HA 0.478 nan 4.420 nan 0.000 0.282 48 P C -0.328 177.016 177.300 0.074 0.000 1.259 48 P CA -0.239 62.923 63.100 0.104 0.000 0.826 48 P CB 1.252 33.029 31.700 0.128 0.000 1.064 49 T N -1.617 112.969 114.554 0.052 0.000 2.731 49 T HA 0.696 5.046 4.350 -0.000 0.000 0.300 49 T C -0.326 174.389 174.700 0.025 0.000 1.283 49 T CA -0.559 61.565 62.100 0.039 0.000 1.005 49 T CB 0.825 69.711 68.868 0.030 0.000 1.420 49 T HN 0.242 nan 8.240 nan 0.000 0.503 50 V N -1.033 118.893 119.914 0.020 0.000 3.277 50 V HA 1.030 5.150 4.120 -0.000 0.000 0.313 50 V C -1.201 174.895 176.094 0.003 0.000 1.574 50 V CA -0.541 61.761 62.300 0.003 0.000 0.966 50 V CB 1.102 32.933 31.823 0.012 0.000 1.027 50 V HN 1.730 nan 8.190 nan 0.000 0.484 51 A N -0.187 122.630 122.820 -0.006 0.000 2.571 51 A HA 0.760 5.080 4.320 -0.000 0.000 0.296 51 A C -3.201 174.344 177.584 -0.065 0.000 1.005 51 A CA -0.622 51.404 52.037 -0.018 0.000 0.682 51 A CB -0.272 18.716 19.000 -0.020 0.000 1.292 51 A HN 0.675 nan 8.150 nan 0.000 0.420 52 P HA 0.644 nan 4.420 nan 0.000 0.288 52 P C 0.632 177.738 177.300 -0.323 0.000 1.291 52 P CA 0.789 63.706 63.100 -0.305 0.000 0.766 52 P CB 0.566 32.141 31.700 -0.208 0.000 1.242 53 T N -4.294 109.952 114.554 -0.513 0.000 3.419 53 T HA 0.084 4.434 4.350 -0.000 0.000 0.291 53 T C -0.554 174.015 174.700 -0.219 0.000 0.865 53 T CA -0.285 61.643 62.100 -0.287 0.000 0.861 53 T CB -0.969 67.775 68.868 -0.207 0.000 1.229 53 T HN 0.623 nan 8.240 nan 0.000 0.727 54 H N 0.133 119.183 119.070 -0.032 0.000 2.492 54 H HA 0.743 5.299 4.556 -0.000 0.000 0.345 54 H C 0.058 175.358 175.328 -0.048 0.000 1.136 54 H CA -0.803 55.222 56.048 -0.040 0.000 1.202 54 H CB 0.421 30.170 29.762 -0.021 0.000 1.524 54 H HN -0.109 nan 8.280 nan 0.000 0.506 55 D N 0.893 121.345 120.400 0.086 0.000 2.792 55 D HA -0.177 4.463 4.640 -0.000 0.000 0.231 55 D C 0.348 176.648 176.300 0.000 0.000 1.160 55 D CA 0.878 54.888 54.000 0.018 0.000 0.697 55 D CB -0.479 40.338 40.800 0.028 0.000 1.070 55 D HN 0.457 nan 8.370 nan 0.000 0.426 56 V N -1.497 118.396 119.914 -0.035 0.000 3.097 56 V HA 0.159 4.279 4.120 -0.000 0.000 0.223 56 V C 1.055 177.057 176.094 -0.154 0.000 1.199 56 V CA 1.229 63.486 62.300 -0.072 0.000 1.260 56 V CB 1.403 33.180 31.823 -0.076 0.000 1.155 56 V HN 0.180 nan 8.190 nan 0.000 0.509 57 T N -0.708 113.736 114.554 -0.184 0.000 2.901 57 T HA 0.463 4.813 4.350 -0.000 0.000 0.293 57 T C -0.238 174.324 174.700 -0.229 0.000 1.084 57 T CA 0.293 62.239 62.100 -0.257 0.000 1.008 57 T CB 1.771 70.450 68.868 -0.315 0.000 1.170 57 T HN 0.542 nan 8.240 nan 0.000 0.509 58 T N -0.128 114.273 114.554 -0.255 0.000 2.753 58 T HA 0.286 4.636 4.350 -0.000 0.000 0.309 58 T C -0.201 174.432 174.700 -0.112 0.000 1.043 58 T CA 0.021 61.992 62.100 -0.215 0.000 0.964 58 T CB 0.137 68.904 68.868 -0.168 0.000 1.206 58 T HN 0.658 nan 8.240 nan 0.000 0.528 59 D N -0.008 120.358 120.400 -0.057 0.000 2.740 59 D HA 0.210 4.850 4.640 -0.000 0.000 0.305 59 D C 0.062 176.359 176.300 -0.004 0.000 1.583 59 D CA -0.395 53.587 54.000 -0.030 0.000 0.790 59 D CB 0.525 41.308 40.800 -0.028 0.000 1.187 59 D HN 0.306 nan 8.370 nan 0.000 0.447 60 R N 0.193 120.698 120.500 0.009 0.000 2.797 60 R HA 0.527 4.867 4.340 -0.000 0.000 0.251 60 R C -0.023 176.285 176.300 0.012 0.000 1.107 60 R CA -0.470 55.640 56.100 0.016 0.000 1.084 60 R CB 0.958 31.275 30.300 0.029 0.000 1.205 60 R HN -0.203 nan 8.270 nan 0.000 0.515 61 S N 1.511 117.218 115.700 0.012 0.000 2.448 61 S HA 0.219 4.689 4.470 -0.000 0.000 0.279 61 S C -0.876 173.733 174.600 0.014 0.000 1.195 61 S CA -0.465 57.742 58.200 0.012 0.000 1.051 61 S CB 0.168 63.373 63.200 0.010 0.000 0.948 61 S HN 0.315 nan 8.310 nan 0.000 0.493 62 Q N 2.411 122.223 119.800 0.020 0.000 2.501 62 Q HA 0.614 4.954 4.340 -0.000 0.000 0.288 62 Q C -0.905 175.118 176.000 0.039 0.000 1.051 62 Q CA -1.278 54.541 55.803 0.027 0.000 0.788 62 Q CB 2.176 30.932 28.738 0.029 0.000 1.469 62 Q HN 0.723 nan 8.270 nan 0.000 0.416 63 R N 0.209 120.736 120.500 0.046 0.000 2.795 63 R HA 0.633 4.973 4.340 -0.000 0.000 0.275 63 R C -0.357 175.994 176.300 0.085 0.000 0.981 63 R CA -0.919 55.214 56.100 0.054 0.000 0.917 63 R CB 1.002 31.320 30.300 0.030 0.000 1.202 63 R HN 0.793 nan 8.270 nan 0.000 0.469 64 L N -0.809 120.467 121.223 0.088 0.000 3.141 64 L HA 0.468 4.808 4.340 -0.000 0.000 0.267 64 L C -0.765 176.124 176.870 0.031 0.000 1.281 64 L CA -0.481 54.422 54.840 0.106 0.000 1.037 64 L CB 0.863 42.989 42.059 0.112 0.000 1.407 64 L HN 0.809 nan 8.230 nan 0.000 0.566 65 T N -0.099 114.464 114.554 0.015 0.000 2.928 65 T HA 0.746 5.096 4.350 -0.000 0.000 0.296 65 T C -0.711 173.948 174.700 -0.069 0.000 1.000 65 T CA -0.596 61.496 62.100 -0.014 0.000 0.989 65 T CB 2.199 71.077 68.868 0.016 0.000 1.005 65 T HN 0.209 nan 8.240 nan 0.000 0.442 66 L N 0.998 122.126 121.223 -0.158 0.000 2.409 66 L HA 0.660 5.000 4.340 -0.000 0.000 0.255 66 L C 0.658 177.347 176.870 -0.302 0.000 1.027 66 L CA -1.211 53.490 54.840 -0.232 0.000 0.834 66 L CB 1.412 43.280 42.059 -0.318 0.000 1.426 66 L HN 0.606 nan 8.230 nan 0.000 0.411 67 R N -0.221 120.152 120.500 -0.212 0.000 1.895 67 R HA 0.329 4.669 4.340 -0.000 0.000 0.164 67 R C 0.015 176.303 176.300 -0.019 0.000 1.151 67 R CA 0.960 56.990 56.100 -0.117 0.000 1.395 67 R CB 0.077 30.362 30.300 -0.025 0.000 0.735 67 R HN 0.655 nan 8.270 nan 0.000 0.568 68 F N -2.539 117.413 119.950 0.002 0.000 1.242 68 F HA -0.026 4.501 4.527 -0.000 0.000 0.398 68 F C -0.089 175.737 175.800 0.042 0.000 0.573 68 F CA -0.491 57.553 58.000 0.075 0.000 2.589 68 F CB -0.534 38.587 39.000 0.202 0.000 3.500 68 F HN 0.080 nan 8.300 nan 0.000 0.211 69 I N 3.840 124.525 120.570 0.192 0.000 2.732 69 I HA -0.216 3.954 4.170 -0.000 0.000 0.126 69 I C -1.424 174.642 176.117 -0.085 0.000 0.882 69 I CA 0.314 61.639 61.300 0.042 0.000 2.786 69 I CB -1.013 37.009 38.000 0.037 0.000 0.554 69 I HN -0.036 nan 8.210 nan 0.000 0.352 70 P HA -0.028 nan 4.420 nan 0.000 0.273 70 P C 1.096 178.171 177.300 -0.376 0.000 1.248 70 P CA -0.206 62.477 63.100 -0.694 0.000 0.817 70 P CB 0.879 31.576 31.700 -1.672 0.000 0.995 71 V N -0.783 118.900 119.914 -0.385 0.000 2.261 71 V HA -0.023 4.097 4.120 -0.000 0.000 0.235 71 V C 0.991 176.985 176.094 -0.168 0.000 1.044 71 V CA 1.767 63.943 62.300 -0.207 0.000 1.007 71 V CB -0.679 31.049 31.823 -0.159 0.000 0.647 71 V HN 0.516 nan 8.190 nan 0.000 0.462 72 D N -0.659 119.643 120.400 -0.163 0.000 2.442 72 D HA 0.511 5.151 4.640 -0.000 0.000 0.254 72 D C -0.321 175.940 176.300 -0.066 0.000 1.069 72 D CA -0.483 53.456 54.000 -0.102 0.000 1.017 72 D CB 1.169 41.917 40.800 -0.087 0.000 1.172 72 D HN 0.263 nan 8.370 nan 0.000 0.561 73 R N 0.871 121.338 120.500 -0.056 0.000 2.721 73 R HA 0.253 4.593 4.340 -0.000 0.000 0.272 73 R C -0.873 175.283 176.300 -0.240 0.000 1.721 73 R CA -0.543 55.535 56.100 -0.037 0.000 1.325 73 R CB 1.103 31.428 30.300 0.041 0.000 1.271 73 R HN 0.233 nan 8.270 nan 0.000 0.556 74 E N 2.244 122.246 120.200 -0.330 0.000 2.136 74 E HA 0.092 4.442 4.350 -0.000 0.000 0.246 74 E C -0.741 175.510 176.600 -0.581 0.000 1.017 74 E CA -0.466 55.710 56.400 -0.374 0.000 0.883 74 E CB 0.883 30.451 29.700 -0.221 0.000 1.199 74 E HN 0.289 nan 8.360 nan 0.000 0.447 75 D N 3.304 123.296 120.400 -0.679 0.000 2.441 75 D HA -0.029 4.611 4.640 -0.000 0.000 0.243 75 D C 1.288 177.408 176.300 -0.300 0.000 1.257 75 D CA 0.299 53.946 54.000 -0.588 0.000 1.027 75 D CB 0.685 41.240 40.800 -0.409 0.000 1.084 75 D HN 0.440 nan 8.370 nan 0.000 0.514 76 T N 0.059 114.451 114.554 -0.270 0.000 3.374 76 T HA 0.056 4.406 4.350 -0.000 0.000 0.212 76 T C 1.338 175.970 174.700 -0.113 0.000 0.981 76 T CA 1.029 63.019 62.100 -0.184 0.000 2.269 76 T CB 0.102 68.841 68.868 -0.214 0.000 1.403 76 T HN 0.194 nan 8.240 nan 0.000 0.350 77 A N 0.633 123.399 122.820 -0.089 0.000 2.068 77 A HA 0.448 4.768 4.320 -0.000 0.000 0.206 77 A C 1.141 178.796 177.584 0.118 0.000 1.822 77 A CA 0.266 52.331 52.037 0.047 0.000 0.899 77 A CB -0.231 18.885 19.000 0.193 0.000 1.251 77 A HN 0.968 nan 8.150 nan 0.000 0.599 78 Y N -1.156 119.095 120.300 -0.081 0.000 2.578 78 Y HA 0.801 5.351 4.550 -0.000 0.000 0.317 78 Y C -0.159 175.760 175.900 0.032 0.000 0.940 78 Y CA -0.319 57.768 58.100 -0.022 0.000 1.174 78 Y CB 0.183 38.603 38.460 -0.066 0.000 1.198 78 Y HN 0.109 nan 8.280 nan 0.000 0.597 79 S N 0.464 116.030 115.700 -0.224 0.000 2.643 79 S HA 0.573 5.043 4.470 -0.000 0.000 0.270 79 S C -2.472 172.060 174.600 -0.113 0.000 1.166 79 S CA -0.680 57.420 58.200 -0.167 0.000 0.815 79 S CB 1.670 64.689 63.200 -0.303 0.000 1.139 79 S HN 0.324 nan 8.310 nan 0.000 0.472 80 Y N 1.362 121.576 120.300 -0.143 0.000 2.294 80 Y HA 0.408 4.958 4.550 -0.000 0.000 0.329 80 Y C -0.551 175.360 175.900 0.018 0.000 1.135 80 Y CA -0.330 57.674 58.100 -0.161 0.000 1.213 80 Y CB 0.974 39.226 38.460 -0.346 0.000 1.141 80 Y HN 0.574 nan 8.280 nan 0.000 0.446 81 K N 3.828 124.276 120.400 0.080 0.000 3.141 81 K HA 0.543 4.863 4.320 -0.000 0.000 0.248 81 K C 0.106 176.788 176.600 0.137 0.000 1.282 81 K CA -0.203 56.146 56.287 0.104 0.000 1.251 81 K CB 0.133 32.596 32.500 -0.061 0.000 1.533 81 K HN 0.617 nan 8.250 nan 0.000 0.409 82 A N 1.927 124.928 122.820 0.301 0.000 2.513 82 A HA -0.029 4.291 4.320 -0.000 0.000 0.274 82 A C 0.175 177.880 177.584 0.202 0.000 1.115 82 A CA 0.203 52.383 52.037 0.239 0.000 0.792 82 A CB -0.121 19.091 19.000 0.353 0.000 1.053 82 A HN 0.468 nan 8.150 nan 0.000 0.515 83 R N 1.529 122.051 120.500 0.036 0.000 2.537 83 R HA 0.352 4.692 4.340 -0.000 0.000 0.280 83 R C -1.065 175.195 176.300 -0.066 0.000 1.058 83 R CA 0.623 56.733 56.100 0.016 0.000 1.057 83 R CB 0.255 30.528 30.300 -0.045 0.000 0.973 83 R HN 0.629 nan 8.270 nan 0.000 0.438 84 F N -0.658 119.262 119.950 -0.051 0.000 2.618 84 F HA 0.340 4.867 4.527 -0.000 0.000 0.332 84 F C 0.259 176.034 175.800 -0.042 0.000 1.061 84 F CA -0.383 57.546 58.000 -0.119 0.000 0.974 84 F CB 2.308 41.189 39.000 -0.198 0.000 1.310 84 F HN 0.411 nan 8.300 nan 0.000 0.491 85 T N 1.277 115.904 114.554 0.121 0.000 3.050 85 T HA 0.661 5.011 4.350 -0.000 0.000 0.310 85 T C -0.800 174.051 174.700 0.252 0.000 0.978 85 T CA -0.809 61.389 62.100 0.165 0.000 1.013 85 T CB 0.177 69.109 68.868 0.106 0.000 1.000 85 T HN 0.567 nan 8.240 nan 0.000 0.447 86 L N 1.859 123.262 121.223 0.300 0.000 2.874 86 L HA 1.062 5.402 4.340 -0.000 0.000 0.229 86 L C 0.436 177.471 176.870 0.274 0.000 1.200 86 L CA -1.600 53.438 54.840 0.330 0.000 0.976 86 L CB -0.052 42.167 42.059 0.267 0.000 1.887 86 L HN 0.998 nan 8.230 nan 0.000 0.543 87 A N -0.562 122.365 122.820 0.177 0.000 2.522 87 A HA 0.605 4.925 4.320 -0.000 0.000 0.291 87 A C -1.315 176.237 177.584 -0.054 0.000 1.039 87 A CA -0.001 52.099 52.037 0.105 0.000 0.643 87 A CB 1.240 20.303 19.000 0.106 0.000 1.310 87 A HN 1.219 nan 8.150 nan 0.000 0.436 88 V N -1.402 118.462 119.914 -0.085 0.000 2.934 88 V HA 0.697 4.817 4.120 -0.000 0.000 0.254 88 V C 0.235 176.258 176.094 -0.118 0.000 0.984 88 V CA 0.241 62.428 62.300 -0.188 0.000 0.938 88 V CB 0.297 31.959 31.823 -0.268 0.000 1.046 88 V HN 2.056 nan 8.190 nan 0.000 0.505 89 G N 1.523 110.253 108.800 -0.116 0.000 2.975 89 G HA2 0.292 4.252 3.960 -0.000 0.000 0.159 89 G HA3 0.292 4.252 3.960 -0.000 0.000 0.159 89 G C 0.154 174.992 174.900 -0.103 0.000 1.525 89 G CA 0.115 45.166 45.100 -0.082 0.000 1.075 89 G HN 0.585 nan 8.290 nan 0.000 0.574 90 D N 0.905 121.244 120.400 -0.101 0.000 2.489 90 D HA 0.051 4.691 4.640 -0.000 0.000 0.264 90 D C 0.547 176.761 176.300 -0.143 0.000 1.294 90 D CA 0.643 54.567 54.000 -0.126 0.000 0.938 90 D CB -0.257 40.459 40.800 -0.139 0.000 0.985 90 D HN 0.403 nan 8.370 nan 0.000 0.492 91 N N -0.225 118.396 118.700 -0.131 0.000 3.692 91 N HA -0.097 4.643 4.740 -0.000 0.000 0.121 91 N C -0.497 174.886 175.510 -0.213 0.000 0.944 91 N CA -0.217 52.770 53.050 -0.106 0.000 3.226 91 N CB 0.114 38.576 38.487 -0.042 0.000 1.188 91 N HN -0.034 nan 8.380 nan 0.000 0.830 92 R N 1.432 121.734 120.500 -0.329 0.000 2.275 92 R HA 0.559 4.899 4.340 -0.000 0.000 0.326 92 R C -1.046 174.828 176.300 -0.710 0.000 0.973 92 R CA -0.327 55.353 56.100 -0.699 0.000 0.854 92 R CB 0.985 30.930 30.300 -0.591 0.000 1.156 92 R HN 0.013 nan 8.270 nan 0.000 0.487 93 V N 3.219 122.652 119.914 -0.802 0.000 2.839 93 V HA 0.377 4.497 4.120 -0.000 0.000 0.284 93 V C -0.954 175.306 176.094 0.277 0.000 1.397 93 V CA -1.165 61.007 62.300 -0.213 0.000 0.938 93 V CB 0.858 32.612 31.823 -0.114 0.000 1.112 93 V HN 0.648 nan 8.190 nan 0.000 0.443 94 L N 0.089 121.607 121.223 0.491 0.000 2.301 94 L HA 0.863 5.203 4.340 -0.000 0.000 0.249 94 L C 0.137 177.066 176.870 0.099 0.000 1.069 94 L CA -0.571 54.462 54.840 0.322 0.000 0.865 94 L CB 2.111 44.287 42.059 0.195 0.000 1.467 94 L HN 0.553 nan 8.230 nan 0.000 0.419 95 D N -0.299 120.118 120.400 0.028 0.000 1.880 95 D HA 0.178 4.818 4.640 -0.000 0.000 0.265 95 D C 0.668 176.943 176.300 -0.041 0.000 1.095 95 D CA 1.189 55.182 54.000 -0.011 0.000 0.954 95 D CB 0.091 40.883 40.800 -0.013 0.000 1.234 95 D HN 0.574 nan 8.370 nan 0.000 0.465 96 M N -0.929 118.649 119.600 -0.037 0.000 2.346 96 M HA 0.240 4.720 4.480 -0.000 0.000 0.417 96 M C -0.297 176.008 176.300 0.008 0.000 1.015 96 M CA 0.051 55.331 55.300 -0.034 0.000 0.968 96 M CB 1.388 33.953 32.600 -0.059 0.000 1.859 96 M HN 0.264 nan 8.290 nan 0.000 0.623 97 A N 0.596 123.415 122.820 -0.003 0.000 2.503 97 A HA 0.430 4.750 4.320 -0.000 0.000 0.263 97 A C 0.318 177.888 177.584 -0.023 0.000 1.258 97 A CA 0.007 52.044 52.037 -0.000 0.000 0.936 97 A CB 0.106 19.090 19.000 -0.026 0.000 1.070 97 A HN 0.217 nan 8.150 nan 0.000 0.522 98 S N 1.061 116.738 115.700 -0.038 0.000 2.259 98 S HA 0.569 5.039 4.470 -0.000 0.000 0.181 98 S C -0.755 173.791 174.600 -0.090 0.000 1.589 98 S CA -0.207 57.946 58.200 -0.078 0.000 1.234 98 S CB 0.244 63.363 63.200 -0.135 0.000 1.119 98 S HN 0.635 nan 8.310 nan 0.000 0.458 99 T N -0.091 114.456 114.554 -0.012 0.000 3.802 99 T HA 0.532 4.882 4.350 -0.000 0.000 0.397 99 T C -1.343 173.425 174.700 0.112 0.000 1.404 99 T CA -0.805 61.271 62.100 -0.039 0.000 1.151 99 T CB 0.692 69.523 68.868 -0.062 0.000 1.329 99 T HN 0.819 nan 8.240 nan 0.000 0.474 100 Y N 2.097 122.324 120.300 -0.123 0.000 2.641 100 Y HA 0.730 5.280 4.550 -0.000 0.000 0.333 100 Y C -2.627 173.277 175.900 0.006 0.000 1.174 100 Y CA -2.672 55.452 58.100 0.040 0.000 1.057 100 Y CB 1.166 39.633 38.460 0.013 0.000 1.322 100 Y HN 0.800 nan 8.280 nan 0.000 0.457 101 F N 2.826 122.729 119.950 -0.078 0.000 2.507 101 F HA 0.540 5.067 4.527 -0.000 0.000 0.325 101 F C -0.360 175.452 175.800 0.020 0.000 1.116 101 F CA -0.940 56.928 58.000 -0.220 0.000 0.930 101 F CB 1.930 40.835 39.000 -0.159 0.000 1.146 101 F HN 0.580 nan 8.300 nan 0.000 0.447 102 D N 2.542 123.068 120.400 0.211 0.000 2.449 102 D HA 0.769 5.409 4.640 -0.000 0.000 0.250 102 D C -0.408 176.030 176.300 0.231 0.000 1.050 102 D CA -0.304 53.926 54.000 0.384 0.000 1.024 102 D CB 1.781 42.915 40.800 0.556 0.000 1.218 102 D HN 0.465 nan 8.370 nan 0.000 0.566 103 I N -1.671 119.072 120.570 0.287 0.000 3.452 103 I HA 0.534 4.704 4.170 -0.000 0.000 0.319 103 I C -1.472 174.884 176.117 0.398 0.000 1.262 103 I CA -1.251 60.229 61.300 0.300 0.000 0.958 103 I CB 1.763 39.929 38.000 0.276 0.000 1.311 103 I HN 0.557 nan 8.210 nan 0.000 0.463 104 R N 0.091 120.839 120.500 0.412 0.000 3.233 104 R HA 0.563 4.903 4.340 -0.000 0.000 0.301 104 R C -1.194 174.824 176.300 -0.469 0.000 1.018 104 R CA -0.144 55.902 56.100 -0.090 0.000 0.989 104 R CB 0.264 30.560 30.300 -0.007 0.000 1.393 104 R HN 0.990 nan 8.270 nan 0.000 0.370 105 G N 1.320 109.155 108.800 -1.609 0.000 3.193 105 G HA2 0.690 4.650 3.960 -0.000 0.000 0.186 105 G HA3 0.690 4.650 3.960 -0.000 0.000 0.186 105 G C -0.746 173.615 174.900 -0.899 0.000 1.536 105 G CA 0.251 44.776 45.100 -0.958 0.000 0.943 105 G HN 0.410 nan 8.290 nan 0.000 0.781 106 V N -0.798 118.760 119.914 -0.592 0.000 3.157 106 V HA 0.838 4.958 4.120 -0.000 0.000 0.312 106 V C -1.437 174.617 176.094 -0.068 0.000 1.502 106 V CA -0.581 61.533 62.300 -0.310 0.000 0.997 106 V CB 1.656 33.322 31.823 -0.262 0.000 1.053 106 V HN 1.097 nan 8.190 nan 0.000 0.482 107 L N 0.854 121.963 121.223 -0.190 0.000 2.781 107 L HA 0.683 5.023 4.340 -0.000 0.000 0.256 107 L C -2.466 174.166 176.870 -0.398 0.000 0.930 107 L CA 0.052 54.780 54.840 -0.186 0.000 0.967 107 L CB 2.139 44.145 42.059 -0.088 0.000 1.551 107 L HN 0.862 nan 8.230 nan 0.000 0.445 108 D N 3.727 123.938 120.400 -0.315 0.000 2.381 108 D HA 0.293 4.933 4.640 -0.000 0.000 0.245 108 D C 0.562 176.776 176.300 -0.143 0.000 1.297 108 D CA -0.396 53.406 54.000 -0.329 0.000 0.931 108 D CB 1.244 41.826 40.800 -0.362 0.000 1.334 108 D HN 0.688 nan 8.370 nan 0.000 0.535 109 R N 1.364 121.792 120.500 -0.121 0.000 2.211 109 R HA 0.100 4.440 4.340 -0.000 0.000 0.240 109 R C 1.449 177.726 176.300 -0.038 0.000 1.144 109 R CA 1.186 57.233 56.100 -0.088 0.000 0.992 109 R CB -0.207 30.001 30.300 -0.153 0.000 0.869 109 R HN 0.625 nan 8.270 nan 0.000 0.462 110 G N -0.503 108.290 108.800 -0.011 0.000 2.795 110 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.664 110 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.664 110 G C -2.084 172.816 174.900 0.001 0.000 1.381 110 G CA -0.493 44.603 45.100 -0.007 0.000 0.853 110 G HN 0.012 nan 8.290 nan 0.000 0.545 111 P HA 0.022 nan 4.420 nan 0.000 0.247 111 P C 0.806 178.014 177.300 -0.153 0.000 1.215 111 P CA 1.387 64.482 63.100 -0.008 0.000 0.752 111 P CB -0.320 31.414 31.700 0.056 0.000 0.927 112 T N -0.338 114.100 114.554 -0.194 0.000 3.218 112 T HA 0.296 4.646 4.350 -0.000 0.000 0.241 112 T C -0.392 174.375 174.700 0.112 0.000 0.929 112 T CA -0.089 61.901 62.100 -0.183 0.000 0.979 112 T CB -0.731 68.002 68.868 -0.226 0.000 1.129 112 T HN -0.031 nan 8.240 nan 0.000 0.559 113 F N 1.197 121.125 119.950 -0.037 0.000 2.664 113 F HA 0.797 5.324 4.527 -0.000 0.000 0.317 113 F C -1.227 174.533 175.800 -0.066 0.000 1.108 113 F CA -1.584 56.395 58.000 -0.034 0.000 0.957 113 F CB 1.829 40.818 39.000 -0.017 0.000 1.365 113 F HN -0.055 nan 8.300 nan 0.000 0.475 114 K N 2.825 122.297 120.400 -1.547 0.000 2.609 114 K HA 0.319 4.639 4.320 -0.000 0.000 0.261 114 K C -2.786 172.800 176.600 -1.690 0.000 0.945 114 K CA -0.948 54.530 56.287 -1.349 0.000 0.898 114 K CB 1.929 33.955 32.500 -0.791 0.000 1.349 114 K HN 0.166 nan 8.250 nan 0.000 0.420 115 P HA 0.048 nan 4.420 nan 0.000 0.236 115 P C -0.199 176.904 177.300 -0.328 0.000 1.177 115 P CA 0.933 63.782 63.100 -0.418 0.000 0.773 115 P CB -0.050 31.691 31.700 0.068 0.000 0.878 116 Y N -3.204 116.703 120.300 -0.655 0.000 2.876 116 Y HA 0.468 5.018 4.550 -0.000 0.000 0.120 116 Y C 0.061 175.630 175.900 -0.551 0.000 0.941 116 Y CA 0.121 57.764 58.100 -0.762 0.000 1.882 116 Y CB -0.173 38.099 38.460 -0.313 0.000 1.240 116 Y HN -0.022 nan 8.280 nan 0.000 0.220 117 S N -0.228 115.007 115.700 -0.776 0.000 2.707 117 S HA 0.497 4.967 4.470 -0.000 0.000 0.268 117 S C -0.053 174.457 174.600 -0.149 0.000 1.004 117 S CA -0.191 57.810 58.200 -0.332 0.000 0.902 117 S CB 0.546 63.792 63.200 0.077 0.000 1.157 117 S HN 2.377 nan 8.310 nan 0.000 0.468 118 G N 0.398 109.151 108.800 -0.079 0.000 2.496 118 G HA2 0.222 4.182 3.960 -0.000 0.000 0.243 118 G HA3 0.222 4.182 3.960 -0.000 0.000 0.243 118 G C -0.201 174.659 174.900 -0.066 0.000 1.176 118 G CA 0.138 45.236 45.100 -0.003 0.000 0.940 118 G HN 1.926 nan 8.290 nan 0.000 0.573 119 T N 0.194 114.745 114.554 -0.004 0.000 3.032 119 T HA 0.701 5.051 4.350 -0.000 0.000 0.312 119 T C 0.352 175.116 174.700 0.107 0.000 1.078 119 T CA 0.691 62.737 62.100 -0.090 0.000 1.028 119 T CB 1.537 70.225 68.868 -0.299 0.000 1.091 119 T HN 1.924 nan 8.240 nan 0.000 0.457 120 A N 3.112 125.911 122.820 -0.035 0.000 2.606 120 A HA 0.497 4.817 4.320 -0.000 0.000 0.290 120 A C -0.042 177.538 177.584 -0.007 0.000 1.174 120 A CA -0.147 51.915 52.037 0.041 0.000 0.958 120 A CB -0.107 18.900 19.000 0.013 0.000 1.194 120 A HN 0.680 nan 8.150 nan 0.000 0.526 121 Y N 0.333 120.763 120.300 0.217 0.000 2.697 121 Y HA 0.093 4.643 4.550 -0.000 0.000 0.471 121 Y C 1.371 177.397 175.900 0.209 0.000 1.418 121 Y CA -0.636 57.572 58.100 0.180 0.000 2.076 121 Y CB -0.107 38.455 38.460 0.171 0.000 1.805 121 Y HN 0.356 nan 8.280 nan 0.000 0.660 122 N N 1.271 120.215 118.700 0.406 0.000 2.377 122 N HA -0.094 4.646 4.740 -0.000 0.000 0.299 122 N C 0.598 176.178 175.510 0.118 0.000 1.251 122 N CA 0.230 53.410 53.050 0.218 0.000 1.130 122 N CB 0.038 38.633 38.487 0.180 0.000 1.487 122 N HN 0.661 nan 8.380 nan 0.000 0.490 123 A N 4.054 126.873 122.820 -0.001 0.000 1.953 123 A HA -0.223 4.097 4.320 -0.000 0.000 0.212 123 A C 2.038 179.320 177.584 -0.503 0.000 1.250 123 A CA 1.305 53.154 52.037 -0.313 0.000 0.726 123 A CB -0.938 17.973 19.000 -0.148 0.000 0.837 123 A HN 0.695 nan 8.150 nan 0.000 0.481 124 L N -0.279 120.790 121.223 -0.257 0.000 2.483 124 L HA -0.176 4.164 4.340 -0.000 0.000 0.224 124 L C 1.562 178.322 176.870 -0.182 0.000 1.135 124 L CA 0.459 55.181 54.840 -0.198 0.000 0.790 124 L CB -1.325 40.672 42.059 -0.104 0.000 0.911 124 L HN 0.472 nan 8.230 nan 0.000 0.445 125 A N -0.394 122.314 122.820 -0.186 0.000 2.425 125 A HA 0.430 4.750 4.320 -0.000 0.000 0.249 125 A C -1.898 175.645 177.584 -0.068 0.000 1.084 125 A CA -1.226 50.766 52.037 -0.075 0.000 0.781 125 A CB -0.156 18.859 19.000 0.024 0.000 1.019 125 A HN -0.072 nan 8.150 nan 0.000 0.490 126 P HA 0.076 nan 4.420 nan 0.000 0.273 126 P C 0.048 177.474 177.300 0.209 0.000 1.252 126 P CA 0.117 63.257 63.100 0.066 0.000 0.809 126 P CB 0.349 32.081 31.700 0.053 0.000 1.017 127 K N -0.872 119.676 120.400 0.247 0.000 2.393 127 K HA 0.280 4.600 4.320 -0.000 0.000 0.193 127 K C 1.178 177.876 176.600 0.163 0.000 1.026 127 K CA 0.531 57.004 56.287 0.310 0.000 1.064 127 K CB -0.147 32.505 32.500 0.252 0.000 0.833 127 K HN 0.569 nan 8.250 nan 0.000 0.521 128 G N -0.132 108.742 108.800 0.125 0.000 5.252 128 G HA2 0.447 4.407 3.960 -0.000 0.000 0.214 128 G HA3 0.447 4.407 3.960 -0.000 0.000 0.214 128 G C -0.886 174.052 174.900 0.063 0.000 0.817 128 G CA -0.285 44.866 45.100 0.085 0.000 0.715 128 G HN 0.145 nan 8.290 nan 0.000 0.480 129 A N 1.969 124.829 122.820 0.067 0.000 2.328 129 A HA 0.833 5.153 4.320 -0.000 0.000 0.318 129 A C -1.749 175.858 177.584 0.038 0.000 1.347 129 A CA -1.436 50.623 52.037 0.037 0.000 0.842 129 A CB 1.788 20.808 19.000 0.033 0.000 1.148 129 A HN 0.207 nan 8.150 nan 0.000 0.499 130 P HA 0.123 nan 4.420 nan 0.000 0.330 130 P C -0.555 176.757 177.300 0.021 0.000 1.377 130 P CA 0.030 63.144 63.100 0.023 0.000 0.793 130 P CB 0.537 32.245 31.700 0.014 0.000 1.813 131 N N -2.887 115.826 118.700 0.022 0.000 2.610 131 N HA 0.324 5.064 4.740 -0.000 0.000 0.264 131 N C -2.884 172.649 175.510 0.038 0.000 1.348 131 N CA -1.682 51.385 53.050 0.028 0.000 0.819 131 N CB 0.291 38.797 38.487 0.031 0.000 1.521 131 N HN 0.102 nan 8.380 nan 0.000 0.497 132 P HA 0.247 nan 4.420 nan 0.000 0.267 132 P C -0.479 176.863 177.300 0.069 0.000 1.328 132 P CA 0.043 63.186 63.100 0.071 0.000 0.990 132 P CB -0.148 31.595 31.700 0.071 0.000 1.168 133 C N 3.104 122.458 119.300 0.090 0.000 3.119 133 C HA 0.771 5.231 4.460 -0.000 0.000 0.359 133 C C 0.147 175.216 174.990 0.131 0.000 1.486 133 C CA -0.488 58.588 59.018 0.096 0.000 1.556 133 C CB 1.826 29.622 27.740 0.095 0.000 2.063 133 C HN 0.548 nan 8.230 nan 0.000 0.454 134 E N -1.158 119.131 120.200 0.148 0.000 2.442 134 E HA 0.515 4.865 4.350 -0.000 0.000 0.278 134 E C -1.166 175.607 176.600 0.288 0.000 1.082 134 E CA -0.819 55.681 56.400 0.167 0.000 0.861 134 E CB 0.834 30.504 29.700 -0.051 0.000 1.462 134 E HN 0.825 nan 8.360 nan 0.000 0.458 135 W N 0.344 121.709 121.300 0.108 0.000 3.875 135 W HA 0.632 5.292 4.660 -0.000 0.000 0.638 135 W C -0.050 176.547 176.519 0.130 0.000 2.902 135 W CA -0.216 57.184 57.345 0.092 0.000 1.043 135 W CB -0.664 28.831 29.460 0.059 0.000 2.656 135 W HN 0.363 nan 8.180 nan 0.000 0.526 167 H N 0.501 119.125 119.070 -0.744 0.000 2.572 167 H HA 0.789 5.345 4.556 -0.000 0.000 0.359 167 H C 0.063 175.156 175.328 -0.392 0.000 1.134 167 H CA -0.668 54.954 56.048 -0.710 0.000 1.187 167 H CB 2.561 31.477 29.762 -1.410 0.000 1.597 167 H HN 0.471 nan 8.280 nan 0.000 0.524 168 V N 0.450 120.335 119.914 -0.047 0.000 3.105 168 V HA 0.779 4.899 4.120 -0.000 0.000 0.311 168 V C -1.236 174.965 176.094 0.179 0.000 1.282 168 V CA -0.456 61.875 62.300 0.051 0.000 1.065 168 V CB 2.790 34.624 31.823 0.018 0.000 1.136 168 V HN 0.698 nan 8.190 nan 0.000 0.469 169 F N -1.737 118.188 119.950 -0.041 0.000 3.908 169 F HA 0.761 5.288 4.527 -0.000 0.000 0.327 169 F C 0.158 175.889 175.800 -0.115 0.000 1.027 169 F CA 0.467 58.435 58.000 -0.053 0.000 0.818 169 F CB 0.982 39.985 39.000 0.006 0.000 1.715 169 F HN 1.310 nan 8.300 nan 0.000 0.487 170 G N 0.715 109.744 108.800 0.383 0.000 2.333 170 G HA2 0.494 4.454 3.960 -0.000 0.000 0.288 170 G HA3 0.494 4.454 3.960 -0.000 0.000 0.288 170 G C -2.118 172.867 174.900 0.142 0.000 1.286 170 G CA -0.385 44.796 45.100 0.134 0.000 0.865 170 G HN 0.670 nan 8.290 nan 0.000 0.506 171 Q N -2.064 117.762 119.800 0.044 0.000 2.765 171 Q HA 0.683 5.023 4.340 -0.000 0.000 0.343 171 Q C -1.351 174.657 176.000 0.014 0.000 0.744 171 Q CA -0.092 55.737 55.803 0.042 0.000 0.882 171 Q CB 1.782 30.557 28.738 0.062 0.000 1.276 171 Q HN 2.300 nan 8.270 nan 0.000 0.508 172 A N 0.271 123.105 122.820 0.023 0.000 2.481 172 A HA 0.644 4.964 4.320 -0.000 0.000 0.295 172 A C -2.814 174.791 177.584 0.035 0.000 0.986 172 A CA -0.521 51.528 52.037 0.021 0.000 0.617 172 A CB 0.378 19.380 19.000 0.004 0.000 1.364 172 A HN 0.516 nan 8.150 nan 0.000 0.452 173 P HA 0.404 nan 4.420 nan 0.000 0.316 173 P C -0.029 177.336 177.300 0.107 0.000 1.284 173 P CA -0.521 62.625 63.100 0.078 0.000 0.803 173 P CB -0.244 31.508 31.700 0.086 0.000 1.980 174 Y N 1.254 121.552 120.300 -0.003 0.000 2.895 174 Y HA 0.023 4.574 4.550 -0.000 0.000 0.334 174 Y C 1.152 177.048 175.900 -0.008 0.000 1.261 174 Y CA 0.173 58.270 58.100 -0.006 0.000 1.560 174 Y CB 0.138 38.590 38.460 -0.014 0.000 1.253 174 Y HN 0.152 nan 8.280 nan 0.000 0.582 175 S N 3.341 118.821 115.700 -0.366 0.000 2.572 175 S HA 0.299 4.769 4.470 -0.000 0.000 0.262 175 S C 0.255 174.490 174.600 -0.609 0.000 1.375 175 S CA 0.116 58.075 58.200 -0.401 0.000 0.996 175 S CB 0.011 63.031 63.200 -0.301 0.000 0.892 175 S HN 0.998 nan 8.310 nan 0.000 0.562 176 G N 0.573 109.184 108.800 -0.316 0.000 2.489 176 G HA2 0.549 4.509 3.960 -0.000 0.000 0.327 176 G HA3 0.549 4.509 3.960 -0.000 0.000 0.327 176 G C 0.244 175.060 174.900 -0.139 0.000 1.189 176 G CA -0.728 44.234 45.100 -0.231 0.000 0.962 176 G HN 0.585 nan 8.290 nan 0.000 0.486 177 I N 0.196 120.714 120.570 -0.086 0.000 2.716 177 I HA 0.133 4.303 4.170 -0.000 0.000 0.259 177 I C 0.769 176.885 176.117 -0.002 0.000 1.172 177 I CA 0.523 61.804 61.300 -0.032 0.000 1.478 177 I CB -0.024 37.969 38.000 -0.012 0.000 1.104 177 I HN 0.491 nan 8.210 nan 0.000 0.439 178 N N -0.109 118.581 118.700 -0.016 0.000 3.993 178 N HA 0.157 4.897 4.740 -0.000 0.000 0.204 178 N C -1.787 173.652 175.510 -0.119 0.000 1.071 178 N CA -0.415 52.559 53.050 -0.128 0.000 1.076 178 N CB 0.954 39.325 38.487 -0.192 0.000 1.644 178 N HN -0.088 nan 8.380 nan 0.000 0.650 179 I N 2.718 123.167 120.570 -0.203 0.000 2.371 179 I HA 0.191 4.361 4.170 -0.000 0.000 0.282 179 I C 0.669 176.697 176.117 -0.148 0.000 1.031 179 I CA -0.040 61.218 61.300 -0.070 0.000 1.180 179 I CB 1.381 39.443 38.000 0.104 0.000 1.336 179 I HN 0.531 nan 8.210 nan 0.000 0.467 180 T N 4.047 118.534 114.554 -0.112 0.000 2.855 180 T HA 0.321 4.671 4.350 -0.000 0.000 0.275 180 T C 1.183 175.847 174.700 -0.060 0.000 1.022 180 T CA -0.221 61.827 62.100 -0.086 0.000 0.977 180 T CB 1.344 70.173 68.868 -0.066 0.000 1.559 180 T HN 0.478 nan 8.240 nan 0.000 0.600 181 K N 0.378 120.773 120.400 -0.008 0.000 2.021 181 K HA 0.078 4.398 4.320 -0.000 0.000 0.205 181 K C 2.188 178.801 176.600 0.022 0.000 1.047 181 K CA 1.170 57.486 56.287 0.048 0.000 0.943 181 K CB -0.143 32.408 32.500 0.084 0.000 0.725 181 K HN 0.659 nan 8.250 nan 0.000 0.439 182 E N 0.255 120.470 120.200 0.026 0.000 2.007 182 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 182 E C 0.443 177.094 176.600 0.084 0.000 0.999 182 E CA 1.326 57.761 56.400 0.057 0.000 0.811 182 E CB 0.063 29.787 29.700 0.040 0.000 0.762 182 E HN 0.208 nan 8.360 nan 0.000 0.450 183 G N 0.204 109.067 108.800 0.106 0.000 2.547 183 G HA2 0.348 4.308 3.960 -0.000 0.000 0.291 183 G HA3 0.348 4.308 3.960 -0.000 0.000 0.291 183 G C -1.027 173.938 174.900 0.109 0.000 1.471 183 G CA -0.481 44.717 45.100 0.162 0.000 0.798 183 G HN 0.472 nan 8.290 nan 0.000 0.504 184 I N -0.181 120.444 120.570 0.092 0.000 2.741 184 I HA 0.350 4.520 4.170 -0.000 0.000 0.288 184 I C 0.743 176.892 176.117 0.053 0.000 1.192 184 I CA -0.304 61.018 61.300 0.037 0.000 1.426 184 I CB 0.645 38.660 38.000 0.025 0.000 1.367 184 I HN 0.591 nan 8.210 nan 0.000 0.563 185 Q N 6.015 125.832 119.800 0.027 0.000 2.296 185 Q HA 0.272 4.612 4.340 -0.000 0.000 0.263 185 Q C 0.361 176.379 176.000 0.030 0.000 1.026 185 Q CA -0.347 55.482 55.803 0.043 0.000 0.912 185 Q CB 0.990 29.736 28.738 0.014 0.000 1.198 185 Q HN 0.822 nan 8.270 nan 0.000 0.407 186 I N 1.558 122.153 120.570 0.041 0.000 2.163 186 I HA 0.189 4.359 4.170 -0.000 0.000 0.240 186 I C 1.127 177.267 176.117 0.038 0.000 1.081 186 I CA 0.871 62.190 61.300 0.032 0.000 1.353 186 I CB -0.460 37.549 38.000 0.015 0.000 1.054 186 I HN 0.760 nan 8.210 nan 0.000 0.407 187 G N -0.583 108.242 108.800 0.043 0.000 2.328 187 G HA2 0.459 4.419 3.960 -0.000 0.000 0.295 187 G HA3 0.459 4.419 3.960 -0.000 0.000 0.295 187 G C -1.551 173.372 174.900 0.038 0.000 1.413 187 G CA 0.055 45.177 45.100 0.037 0.000 0.817 187 G HN 0.079 nan 8.290 nan 0.000 0.546 188 V N -0.802 119.129 119.914 0.028 0.000 3.707 188 V HA 0.954 5.074 4.120 -0.000 0.000 0.293 188 V C 0.650 176.758 176.094 0.023 0.000 1.307 188 V CA 0.723 63.037 62.300 0.024 0.000 0.971 188 V CB 1.798 33.630 31.823 0.015 0.000 1.263 188 V HN 1.465 nan 8.190 nan 0.000 0.473 189 E N -0.563 119.648 120.200 0.018 0.000 1.624 189 E HA 0.107 4.457 4.350 -0.000 0.000 0.181 189 E C 0.132 176.740 176.600 0.013 0.000 0.783 189 E CA 0.647 57.057 56.400 0.017 0.000 1.147 189 E CB -0.660 29.052 29.700 0.020 0.000 3.415 189 E HN 1.401 nan 8.360 nan 0.000 0.588 190 G N 1.468 110.275 108.800 0.012 0.000 5.515 190 G HA2 0.226 4.186 3.960 -0.000 0.000 0.198 190 G HA3 0.226 4.186 3.960 -0.000 0.000 0.198 190 G C 0.183 175.087 174.900 0.006 0.000 0.858 190 G CA 0.396 45.501 45.100 0.009 0.000 0.634 190 G HN 0.075 nan 8.290 nan 0.000 0.290 191 Q N -0.473 119.330 119.800 0.004 0.000 2.429 191 Q HA -0.173 4.167 4.340 -0.000 0.000 0.232 191 Q C 0.351 176.349 176.000 -0.003 0.000 0.724 191 Q CA 1.717 57.520 55.803 0.000 0.000 1.287 191 Q CB -1.932 26.805 28.738 -0.002 0.000 1.429 191 Q HN 0.508 nan 8.270 nan 0.000 0.721 192 T N 0.332 114.886 114.554 0.001 0.000 3.390 192 T HA 0.419 4.769 4.350 -0.000 0.000 0.315 192 T C -2.628 172.074 174.700 0.003 0.000 1.799 192 T CA -1.115 60.983 62.100 -0.004 0.000 1.553 192 T CB 0.889 69.756 68.868 -0.002 0.000 1.002 192 T HN -0.006 nan 8.240 nan 0.000 0.715 193 P HA 0.013 nan 4.420 nan 0.000 0.245 193 P C 0.276 177.588 177.300 0.019 0.000 1.347 193 P CA 0.158 63.263 63.100 0.008 0.000 1.314 193 P CB -0.121 31.575 31.700 -0.007 0.000 1.679 194 K N 2.881 123.314 120.400 0.056 0.000 2.219 194 K HA 0.064 4.384 4.320 -0.000 0.000 0.258 194 K C 1.255 178.008 176.600 0.254 0.000 1.008 194 K CA -0.351 56.009 56.287 0.123 0.000 0.928 194 K CB 0.136 32.757 32.500 0.201 0.000 0.983 194 K HN 0.257 nan 8.250 nan 0.000 0.484 195 Y N 0.062 120.375 120.300 0.020 0.000 3.014 195 Y HA 0.113 4.663 4.550 -0.000 0.000 0.414 195 Y C 1.136 177.040 175.900 0.007 0.000 0.805 195 Y CA 0.132 58.251 58.100 0.031 0.000 1.716 195 Y CB -1.252 37.249 38.460 0.069 0.000 1.440 195 Y HN 0.601 nan 8.280 nan 0.000 0.677 196 A N -0.357 122.374 122.820 -0.148 0.000 2.218 196 A HA 0.552 4.872 4.320 -0.000 0.000 0.198 196 A C -1.234 175.999 177.584 -0.584 0.000 1.857 196 A CA 0.624 52.466 52.037 -0.325 0.000 1.620 196 A CB 0.099 18.935 19.000 -0.272 0.000 1.424 196 A HN 0.674 nan 8.150 nan 0.000 0.562 197 D N -2.361 117.698 120.400 -0.568 0.000 2.367 197 D HA 0.198 4.838 4.640 -0.000 0.000 0.176 197 D C -0.852 175.270 176.300 -0.297 0.000 0.959 197 D CA -0.341 53.423 54.000 -0.393 0.000 0.952 197 D CB 0.773 41.539 40.800 -0.055 0.000 4.022 197 D HN 0.071 nan 8.370 nan 0.000 0.476 198 K N 1.063 121.340 120.400 -0.206 0.000 2.546 198 K HA 0.154 4.474 4.320 -0.000 0.000 0.198 198 K C 1.146 177.733 176.600 -0.023 0.000 1.028 198 K CA 0.508 56.705 56.287 -0.150 0.000 1.150 198 K CB -0.205 32.257 32.500 -0.064 0.000 0.876 198 K HN 0.606 nan 8.250 nan 0.000 0.508 199 T N -2.359 112.245 114.554 0.083 0.000 3.056 199 T HA 0.076 4.426 4.350 -0.000 0.000 0.243 199 T C 1.420 176.254 174.700 0.223 0.000 0.995 199 T CA -0.013 62.151 62.100 0.106 0.000 1.091 199 T CB -0.103 68.777 68.868 0.020 0.000 0.990 199 T HN 0.106 nan 8.240 nan 0.000 0.464 200 F N 0.853 120.740 119.950 -0.106 0.000 2.043 200 F HA 0.583 5.110 4.527 -0.000 0.000 0.236 200 F C 0.401 176.139 175.800 -0.103 0.000 1.117 200 F CA -1.277 56.672 58.000 -0.085 0.000 1.263 200 F CB -0.920 38.041 39.000 -0.065 0.000 1.642 200 F HN -0.085 nan 8.300 nan 0.000 0.518 201 Q N 3.938 123.311 119.800 -0.711 0.000 2.333 201 Q HA 0.168 4.508 4.340 -0.000 0.000 0.299 201 Q C -2.481 173.298 176.000 -0.369 0.000 1.067 201 Q CA -1.144 54.315 55.803 -0.572 0.000 0.943 201 Q CB 0.161 28.431 28.738 -0.779 0.000 1.233 201 Q HN 0.092 nan 8.270 nan 0.000 0.401 202 P HA 0.032 nan 4.420 nan 0.000 0.282 202 P C -0.933 176.310 177.300 -0.096 0.000 1.262 202 P CA -0.219 62.791 63.100 -0.151 0.000 0.773 202 P CB 0.795 32.444 31.700 -0.085 0.000 0.879 203 E N 4.955 125.103 120.200 -0.086 0.000 2.415 203 E HA 0.017 4.367 4.350 -0.000 0.000 0.262 203 E C -1.492 175.100 176.600 -0.015 0.000 1.038 203 E CA -1.102 55.270 56.400 -0.048 0.000 0.921 203 E CB -0.117 29.547 29.700 -0.060 0.000 0.950 203 E HN 0.382 nan 8.360 nan 0.000 0.438 204 P HA -0.030 nan 4.420 nan 0.000 0.210 204 P C 0.885 178.192 177.300 0.012 0.000 1.173 204 P CA 0.881 63.988 63.100 0.011 0.000 0.898 204 P CB 0.203 31.916 31.700 0.020 0.000 0.758 205 Q N 0.427 120.231 119.800 0.006 0.000 2.096 205 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 205 Q C 1.145 177.144 176.000 -0.002 0.000 0.982 205 Q CA 0.905 56.710 55.803 0.003 0.000 0.850 205 Q CB -1.415 27.321 28.738 -0.003 0.000 0.901 205 Q HN 0.312 nan 8.270 nan 0.000 0.422 206 I N -0.178 120.380 120.570 -0.019 0.000 3.060 206 I HA 0.333 4.503 4.170 -0.000 0.000 0.285 206 I C 0.875 176.991 176.117 -0.001 0.000 1.190 206 I CA 0.224 61.499 61.300 -0.042 0.000 1.363 206 I CB 0.280 38.216 38.000 -0.107 0.000 1.396 206 I HN 0.225 nan 8.210 nan 0.000 0.607 207 G N 2.484 111.292 108.800 0.013 0.000 2.899 207 G HA2 0.260 4.220 3.960 -0.000 0.000 0.137 207 G HA3 0.260 4.220 3.960 -0.000 0.000 0.137 207 G C -1.355 173.675 174.900 0.218 0.000 1.198 207 G CA -0.643 44.526 45.100 0.115 0.000 1.126 207 G HN 0.697 nan 8.290 nan 0.000 0.589 208 E N 1.130 121.451 120.200 0.201 0.000 2.360 208 E HA 0.402 4.752 4.350 -0.000 0.000 0.269 208 E C 0.873 177.577 176.600 0.173 0.000 1.022 208 E CA 0.258 56.793 56.400 0.224 0.000 0.887 208 E CB 1.903 31.688 29.700 0.141 0.000 0.990 208 E HN 0.196 nan 8.360 nan 0.000 0.426 209 S N 1.702 117.520 115.700 0.198 0.000 2.380 209 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 209 S C 1.005 175.617 174.600 0.019 0.000 1.050 209 S CA 2.265 60.521 58.200 0.094 0.000 1.100 209 S CB -0.029 63.225 63.200 0.090 0.000 0.984 209 S HN 0.639 nan 8.310 nan 0.000 0.434 210 Q N -1.730 118.059 119.800 -0.017 0.000 3.025 210 Q HA 0.362 4.702 4.340 -0.000 0.000 0.238 210 Q C -1.336 174.658 176.000 -0.010 0.000 1.116 210 Q CA -0.219 55.493 55.803 -0.152 0.000 0.467 210 Q CB 0.652 29.109 28.738 -0.468 0.000 5.116 210 Q HN 0.589 nan 8.270 nan 0.000 0.283 211 W N 1.039 122.398 121.300 0.099 0.000 1.023 211 W HA 0.397 5.057 4.660 -0.000 0.000 0.305 211 W C -1.278 175.327 176.519 0.144 0.000 0.850 211 W CA -0.722 56.679 57.345 0.095 0.000 1.790 211 W CB -0.464 29.037 29.460 0.069 0.000 1.654 211 W HN 0.463 nan 8.180 nan 0.000 0.495 212 Y N 1.869 122.252 120.300 0.138 0.000 2.402 212 Y HA 0.454 5.004 4.550 -0.000 0.000 0.332 212 Y C 0.403 176.354 175.900 0.085 0.000 0.960 212 Y CA -1.674 56.497 58.100 0.119 0.000 1.228 212 Y CB 0.629 39.094 38.460 0.007 0.000 1.120 212 Y HN 0.243 nan 8.280 nan 0.000 0.491 213 E N 2.250 122.463 120.200 0.021 0.000 3.111 213 E HA -0.065 4.285 4.350 -0.000 0.000 0.230 213 E C 0.062 176.364 176.600 -0.496 0.000 1.035 213 E CA 0.939 57.256 56.400 -0.139 0.000 0.944 213 E CB -0.270 29.419 29.700 -0.018 0.000 0.919 213 E HN 0.568 nan 8.360 nan 0.000 0.554 214 T N 2.726 116.960 114.554 -0.534 0.000 3.350 214 T HA 0.141 4.491 4.350 -0.000 0.000 0.246 214 T C 0.504 175.018 174.700 -0.311 0.000 1.284 214 T CA -0.334 61.383 62.100 -0.639 0.000 1.329 214 T CB -0.569 67.852 68.868 -0.745 0.000 1.033 214 T HN 0.716 nan 8.240 nan 0.000 0.632 215 E N 0.474 120.543 120.200 -0.218 0.000 3.244 215 E HA -0.351 3.999 4.350 -0.000 0.000 0.275 215 E C 0.830 177.341 176.600 -0.149 0.000 0.964 215 E CA 1.179 57.490 56.400 -0.148 0.000 0.829 215 E CB -0.773 28.849 29.700 -0.130 0.000 1.418 215 E HN 0.842 nan 8.360 nan 0.000 0.467 216 I N -2.698 117.773 120.570 -0.165 0.000 4.172 216 I HA -0.534 3.636 4.170 -0.000 0.000 0.099 216 I C 1.020 177.033 176.117 -0.173 0.000 0.511 216 I CA 1.961 63.175 61.300 -0.145 0.000 1.179 216 I CB -1.428 36.508 38.000 -0.107 0.000 1.046 216 I HN 0.471 nan 8.210 nan 0.000 0.184 217 N N -0.366 118.203 118.700 -0.218 0.000 1.202 217 N HA -0.233 4.507 4.740 -0.000 0.000 0.108 217 N C 0.013 175.297 175.510 -0.376 0.000 0.816 217 N CA 1.913 54.743 53.050 -0.367 0.000 0.848 217 N CB -0.866 37.448 38.487 -0.288 0.000 0.972 217 N HN 0.632 nan 8.380 nan 0.000 0.645 218 H N 0.651 119.681 119.070 -0.068 0.000 2.610 218 H HA 0.631 5.187 4.556 -0.000 0.000 0.336 218 H C 0.507 175.778 175.328 -0.096 0.000 1.087 218 H CA 0.507 56.513 56.048 -0.069 0.000 1.405 218 H CB 0.745 30.472 29.762 -0.058 0.000 1.460 218 H HN 0.650 nan 8.280 nan 0.000 0.538 219 A N 1.589 124.425 122.820 0.026 0.000 2.973 219 A HA 0.906 5.226 4.320 -0.000 0.000 0.267 219 A C -1.153 176.418 177.584 -0.020 0.000 1.210 219 A CA -0.135 51.878 52.037 -0.039 0.000 0.749 219 A CB 1.180 20.147 19.000 -0.055 0.000 1.373 219 A HN 0.806 nan 8.150 nan 0.000 0.585 220 A N -1.759 121.050 122.820 -0.018 0.000 2.565 220 A HA 0.735 5.055 4.320 -0.000 0.000 0.298 220 A C -0.347 177.246 177.584 0.015 0.000 1.062 220 A CA 0.356 52.398 52.037 0.008 0.000 0.723 220 A CB 0.699 19.702 19.000 0.004 0.000 1.282 220 A HN 2.544 nan 8.150 nan 0.000 0.400 221 G N 0.202 109.016 108.800 0.024 0.000 2.495 221 G HA2 0.698 4.658 3.960 -0.000 0.000 0.294 221 G HA3 0.698 4.658 3.960 -0.000 0.000 0.294 221 G C -1.278 173.639 174.900 0.029 0.000 1.397 221 G CA -0.510 44.601 45.100 0.018 0.000 0.790 221 G HN 0.879 nan 8.290 nan 0.000 0.486 222 R N -2.024 118.488 120.500 0.020 0.000 2.885 222 R HA 0.888 5.228 4.340 -0.000 0.000 0.260 222 R C -1.669 174.648 176.300 0.029 0.000 1.107 222 R CA -0.594 55.523 56.100 0.029 0.000 0.978 222 R CB 2.407 32.709 30.300 0.005 0.000 1.227 222 R HN 0.878 nan 8.270 nan 0.000 0.473 223 V N 1.873 121.808 119.914 0.035 0.000 3.155 223 V HA 0.177 4.297 4.120 -0.000 0.000 0.272 223 V C -0.084 176.031 176.094 0.036 0.000 1.639 223 V CA -0.798 61.521 62.300 0.032 0.000 1.006 223 V CB 1.923 33.762 31.823 0.026 0.000 1.244 223 V HN 0.785 nan 8.190 nan 0.000 0.458 224 L N 2.298 123.540 121.223 0.032 0.000 2.237 224 L HA 0.362 4.702 4.340 -0.000 0.000 0.163 224 L C 0.414 177.304 176.870 0.033 0.000 0.816 224 L CA 0.342 55.200 54.840 0.030 0.000 1.199 224 L CB 0.062 42.136 42.059 0.025 0.000 1.458 224 L HN 0.684 nan 8.230 nan 0.000 0.441 225 K N -1.805 118.614 120.400 0.031 0.000 2.208 225 K HA 0.260 4.580 4.320 -0.000 0.000 0.241 225 K C 0.445 177.069 176.600 0.039 0.000 1.087 225 K CA -0.662 55.645 56.287 0.033 0.000 0.883 225 K CB 1.917 34.434 32.500 0.028 0.000 1.360 225 K HN 0.517 nan 8.250 nan 0.000 0.496 226 K N -0.148 120.276 120.400 0.040 0.000 2.020 226 K HA 0.064 4.384 4.320 -0.000 0.000 0.206 226 K C 0.250 176.882 176.600 0.052 0.000 1.038 226 K CA 1.111 57.428 56.287 0.051 0.000 0.947 226 K CB -0.014 32.514 32.500 0.047 0.000 0.744 226 K HN 0.327 nan 8.250 nan 0.000 0.442 227 T N 1.504 116.082 114.554 0.041 0.000 2.738 227 T HA 0.162 4.512 4.350 -0.000 0.000 0.294 227 T C -1.166 173.547 174.700 0.022 0.000 0.914 227 T CA 0.465 62.586 62.100 0.034 0.000 1.052 227 T CB 0.309 69.194 68.868 0.029 0.000 0.897 227 T HN 0.595 nan 8.240 nan 0.000 0.522 228 T N 2.614 117.181 114.554 0.022 0.000 4.621 228 T HA 0.073 4.423 4.350 -0.000 0.000 0.149 228 T C -2.926 171.782 174.700 0.014 0.000 0.542 228 T CA -1.112 60.994 62.100 0.009 0.000 0.807 228 T CB -1.036 67.833 68.868 0.002 0.000 1.077 228 T HN 0.269 nan 8.240 nan 0.000 0.435 229 P HA -0.210 nan 4.420 nan 0.000 0.035 229 P C 1.275 178.586 177.300 0.018 0.000 0.507 229 P CA 1.113 64.225 63.100 0.020 0.000 1.047 229 P CB -0.730 30.974 31.700 0.006 0.000 1.842 230 M N -1.138 118.483 119.600 0.036 0.000 7.319 230 M HA -0.364 4.116 4.480 -0.000 0.000 0.072 230 M C 0.535 176.846 176.300 0.018 0.000 0.480 230 M CA 1.633 56.955 55.300 0.037 0.000 1.311 230 M CB -0.458 32.168 32.600 0.043 0.000 0.421 230 M HN 0.289 nan 8.290 nan 0.000 0.183 231 K N -0.529 119.880 120.400 0.015 0.000 7.375 231 K HA 0.069 4.389 4.320 -0.000 0.000 0.897 231 K C -2.878 173.735 176.600 0.021 0.000 1.123 231 K CA -0.533 55.760 56.287 0.010 0.000 0.886 231 K CB 0.187 32.688 32.500 0.002 0.000 1.256 231 K HN 0.332 nan 8.250 nan 0.000 0.546 232 P HA 0.348 nan 4.420 nan 0.000 0.281 232 P C -0.542 176.804 177.300 0.076 0.000 1.281 232 P CA -0.635 62.496 63.100 0.052 0.000 0.811 232 P CB 0.887 32.622 31.700 0.059 0.000 1.154 233 C N 1.962 121.325 119.300 0.106 0.000 2.264 233 C HA 0.575 5.035 4.460 -0.000 0.000 0.322 233 C C -1.088 174.057 174.990 0.259 0.000 1.210 233 C CA 0.090 59.191 59.018 0.138 0.000 1.539 233 C CB -2.441 25.356 27.740 0.095 0.000 2.167 233 C HN 0.630 nan 8.230 nan 0.000 0.463 234 Y N 3.633 123.987 120.300 0.089 0.000 2.695 234 Y HA 0.273 4.823 4.550 -0.000 0.000 0.236 234 Y C 0.405 176.399 175.900 0.156 0.000 2.270 234 Y CA 0.397 58.570 58.100 0.120 0.000 1.407 234 Y CB -0.886 37.627 38.460 0.089 0.000 1.799 234 Y HN 0.955 nan 8.280 nan 0.000 0.271 235 G N 2.391 111.391 108.800 0.332 0.000 2.234 235 G HA2 0.064 4.024 3.960 -0.000 0.000 0.153 235 G HA3 0.064 4.024 3.960 -0.000 0.000 0.153 235 G C -0.779 174.170 174.900 0.082 0.000 1.013 235 G CA -0.030 45.232 45.100 0.271 0.000 0.712 235 G HN 1.011 nan 8.290 nan 0.000 0.491 236 S N -0.811 114.883 115.700 -0.010 0.000 2.541 236 S HA 0.811 5.281 4.470 -0.000 0.000 0.271 236 S C -1.002 173.534 174.600 -0.107 0.000 1.133 236 S CA -0.496 57.548 58.200 -0.260 0.000 0.876 236 S CB 2.644 65.783 63.200 -0.101 0.000 1.105 236 S HN 1.532 nan 8.310 nan 0.000 0.470 237 Y N 0.218 120.309 120.300 -0.347 0.000 2.725 237 Y HA 0.796 5.346 4.550 -0.000 0.000 0.333 237 Y C -2.133 173.692 175.900 -0.124 0.000 1.242 237 Y CA -1.047 56.968 58.100 -0.142 0.000 1.059 237 Y CB 0.666 39.106 38.460 -0.033 0.000 1.306 237 Y HN 0.998 nan 8.280 nan 0.000 0.454 238 A N 2.712 125.063 122.820 -0.782 0.000 2.408 238 A HA 0.572 4.892 4.320 -0.000 0.000 0.295 238 A C -1.650 175.413 177.584 -0.868 0.000 1.040 238 A CA -1.184 50.386 52.037 -0.778 0.000 0.707 238 A CB 0.873 19.703 19.000 -0.284 0.000 1.235 238 A HN 0.671 nan 8.150 nan 0.000 0.418 239 K N 4.102 124.043 120.400 -0.766 0.000 2.453 239 K HA 0.259 4.579 4.320 -0.000 0.000 0.280 239 K C -2.233 174.347 176.600 -0.035 0.000 1.045 239 K CA -0.946 55.201 56.287 -0.234 0.000 1.059 239 K CB 0.088 32.510 32.500 -0.131 0.000 0.901 239 K HN 0.470 nan 8.250 nan 0.000 0.475 240 P HA -0.121 nan 4.420 nan 0.000 0.282 240 P C 0.327 177.638 177.300 0.018 0.000 1.273 240 P CA 0.246 63.379 63.100 0.056 0.000 0.809 240 P CB 0.303 32.051 31.700 0.081 0.000 1.246 241 T N -6.508 108.050 114.554 0.007 0.000 3.328 241 T HA 0.171 4.521 4.350 -0.000 0.000 0.297 241 T C 0.266 174.954 174.700 -0.020 0.000 0.882 241 T CA -0.342 61.754 62.100 -0.008 0.000 0.906 241 T CB -0.668 68.192 68.868 -0.014 0.000 1.210 241 T HN 0.640 nan 8.240 nan 0.000 0.631 242 N N 0.169 118.855 118.700 -0.024 0.000 3.667 242 N HA 0.308 5.048 4.740 -0.000 0.000 0.347 242 N C 0.366 175.851 175.510 -0.042 0.000 1.550 242 N CA -0.543 52.481 53.050 -0.044 0.000 0.731 242 N CB 0.279 38.719 38.487 -0.078 0.000 2.741 242 N HN -0.116 nan 8.380 nan 0.000 0.555 243 E N -0.029 120.133 120.200 -0.065 0.000 2.075 243 E HA 0.150 4.500 4.350 -0.000 0.000 0.190 243 E C -0.086 176.477 176.600 -0.061 0.000 0.969 243 E CA 0.503 56.868 56.400 -0.057 0.000 0.815 243 E CB -0.161 29.498 29.700 -0.068 0.000 0.776 243 E HN 0.462 nan 8.360 nan 0.000 0.457 244 N N 1.463 120.098 118.700 -0.108 0.000 2.623 244 N HA 0.084 4.824 4.740 -0.000 0.000 0.263 244 N C 0.636 176.122 175.510 -0.040 0.000 1.218 244 N CA 0.223 53.209 53.050 -0.106 0.000 0.949 244 N CB 0.509 38.821 38.487 -0.292 0.000 1.270 244 N HN 0.119 nan 8.380 nan 0.000 0.507 245 G N 0.768 109.563 108.800 -0.009 0.000 2.606 245 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.285 245 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.285 245 G C 0.263 175.178 174.900 0.026 0.000 1.311 245 G CA -0.318 44.798 45.100 0.026 0.000 0.922 245 G HN 0.774 nan 8.290 nan 0.000 0.559 246 G N -2.587 106.244 108.800 0.052 0.000 2.603 246 G HA2 0.499 4.459 3.960 -0.000 0.000 0.686 246 G HA3 0.499 4.459 3.960 -0.000 0.000 0.686 246 G C 0.003 174.920 174.900 0.028 0.000 1.286 246 G CA 0.745 45.873 45.100 0.047 0.000 0.871 246 G HN 2.390 nan 8.290 nan 0.000 0.568 247 Q N -1.467 118.341 119.800 0.014 0.000 1.810 247 Q HA 0.321 4.661 4.340 -0.000 0.000 0.178 247 Q C 0.855 176.849 176.000 -0.011 0.000 0.788 247 Q CA 0.294 56.094 55.803 -0.004 0.000 0.857 247 Q CB -0.657 28.073 28.738 -0.014 0.000 1.275 247 Q HN 2.016 nan 8.270 nan 0.000 0.368 248 G N 1.954 110.753 108.800 -0.002 0.000 2.378 248 G HA2 0.186 4.146 3.960 -0.000 0.000 0.334 248 G HA3 0.186 4.146 3.960 -0.000 0.000 0.334 248 G C 0.043 174.941 174.900 -0.003 0.000 1.339 248 G CA 0.046 45.146 45.100 0.001 0.000 1.158 248 G HN 0.440 nan 8.290 nan 0.000 0.636 249 I N -0.932 119.642 120.570 0.006 0.000 2.607 249 I HA 0.847 5.017 4.170 -0.000 0.000 0.305 249 I C -0.455 175.668 176.117 0.010 0.000 0.995 249 I CA -0.989 60.315 61.300 0.006 0.000 1.148 249 I CB 1.651 39.658 38.000 0.012 0.000 1.323 249 I HN 0.741 nan 8.210 nan 0.000 0.461 250 L N 6.552 127.779 121.223 0.007 0.000 3.067 250 L HA 0.530 4.870 4.340 -0.000 0.000 0.252 250 L C -1.950 174.924 176.870 0.007 0.000 0.984 250 L CA -0.666 54.180 54.840 0.009 0.000 1.032 250 L CB 1.127 43.191 42.059 0.008 0.000 1.505 250 L HN 0.604 nan 8.230 nan 0.000 0.408 251 V N 0.515 120.434 119.914 0.009 0.000 4.821 251 V HA 0.703 4.823 4.120 -0.000 0.000 0.304 251 V C -1.384 174.715 176.094 0.008 0.000 1.525 251 V CA -0.560 61.744 62.300 0.007 0.000 0.847 251 V CB 2.422 34.251 31.823 0.009 0.000 1.269 251 V HN 0.840 nan 8.190 nan 0.000 0.454 252 K N 1.273 121.678 120.400 0.008 0.000 2.656 252 K HA 0.277 4.597 4.320 -0.000 0.000 0.253 252 K C -0.376 176.229 176.600 0.009 0.000 1.002 252 K CA -0.294 55.998 56.287 0.008 0.000 0.880 252 K CB 1.705 34.209 32.500 0.007 0.000 1.232 252 K HN 0.629 nan 8.250 nan 0.000 0.456 253 Q N 2.263 122.069 119.800 0.010 0.000 2.585 253 Q HA -0.215 4.125 4.340 -0.000 0.000 0.219 253 Q C 0.470 176.476 176.000 0.009 0.000 0.984 253 Q CA 1.737 57.546 55.803 0.010 0.000 0.915 253 Q CB 0.081 28.826 28.738 0.011 0.000 0.967 253 Q HN 0.631 nan 8.270 nan 0.000 0.530 254 Q N -1.477 118.328 119.800 0.008 0.000 3.105 254 Q HA -0.232 4.108 4.340 -0.000 0.000 0.257 254 Q C -0.765 175.239 176.000 0.007 0.000 2.353 254 Q CA 0.980 56.787 55.803 0.007 0.000 0.783 254 Q CB -1.447 27.296 28.738 0.007 0.000 1.713 254 Q HN 0.487 nan 8.270 nan 0.000 0.501 255 N N 2.221 120.925 118.700 0.007 0.000 2.434 255 N HA 0.281 5.021 4.740 -0.000 0.000 0.268 255 N C 0.544 176.058 175.510 0.007 0.000 1.256 255 N CA 1.636 54.690 53.050 0.007 0.000 0.914 255 N CB 0.731 39.222 38.487 0.007 0.000 1.088 255 N HN 0.659 nan 8.380 nan 0.000 0.478 256 G N 1.567 110.371 108.800 0.007 0.000 2.318 256 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.367 256 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.367 256 G C -0.862 174.042 174.900 0.007 0.000 1.260 256 G CA -0.641 44.464 45.100 0.007 0.000 1.055 256 G HN 0.463 nan 8.290 nan 0.000 0.484 257 K N -1.303 119.102 120.400 0.007 0.000 2.512 257 K HA 0.826 5.146 4.320 -0.000 0.000 0.272 257 K C 0.569 177.173 176.600 0.008 0.000 1.033 257 K CA -0.699 55.592 56.287 0.006 0.000 1.096 257 K CB 0.024 32.528 32.500 0.006 0.000 1.498 257 K HN 0.378 nan 8.250 nan 0.000 0.629 258 L N 1.366 122.593 121.223 0.007 0.000 2.475 258 L HA 0.112 4.452 4.340 -0.000 0.000 0.250 258 L C 0.805 177.682 176.870 0.012 0.000 1.224 258 L CA 0.952 55.797 54.840 0.008 0.000 0.821 258 L CB 0.241 42.303 42.059 0.004 0.000 1.141 258 L HN 0.845 nan 8.230 nan 0.000 0.494 259 E N -1.530 118.679 120.200 0.014 0.000 3.952 259 E HA 0.387 4.737 4.350 -0.000 0.000 0.223 259 E C -0.741 175.874 176.600 0.025 0.000 1.295 259 E CA -0.238 56.174 56.400 0.020 0.000 1.670 259 E CB 0.462 30.175 29.700 0.022 0.000 1.588 259 E HN 0.332 nan 8.360 nan 0.000 0.664 260 S N -0.103 115.613 115.700 0.025 0.000 2.707 260 S HA -0.059 4.411 4.470 -0.000 0.000 0.850 260 S C -0.535 174.089 174.600 0.039 0.000 0.806 260 S CA -0.047 58.171 58.200 0.030 0.000 1.560 260 S CB -0.082 63.139 63.200 0.034 0.000 1.124 260 S HN 0.402 nan 8.310 nan 0.000 0.215 261 Q N 0.845 120.669 119.800 0.040 0.000 2.263 261 Q HA 0.568 4.908 4.340 -0.000 0.000 0.258 261 Q C 0.068 176.106 176.000 0.063 0.000 0.993 261 Q CA 0.478 56.309 55.803 0.046 0.000 0.820 261 Q CB -0.088 28.673 28.738 0.037 0.000 1.737 261 Q HN 1.085 nan 8.270 nan 0.000 0.522 262 V N 2.282 122.236 119.914 0.065 0.000 3.725 262 V HA -0.243 3.877 4.120 -0.000 0.000 0.530 262 V C -0.327 175.831 176.094 0.107 0.000 0.682 262 V CA 1.222 63.578 62.300 0.093 0.000 2.090 262 V CB -1.003 30.887 31.823 0.112 0.000 2.494 262 V HN 0.786 nan 8.190 nan 0.000 0.517 263 E N 3.633 123.901 120.200 0.113 0.000 2.435 263 E HA 0.870 5.220 4.350 -0.000 0.000 0.272 263 E C -0.737 175.900 176.600 0.062 0.000 1.031 263 E CA -0.852 55.599 56.400 0.085 0.000 0.872 263 E CB 2.420 32.156 29.700 0.060 0.000 1.588 263 E HN 1.003 nan 8.360 nan 0.000 0.460 264 M N -0.865 118.745 119.600 0.016 0.000 2.843 264 M HA 0.716 5.196 4.480 -0.000 0.000 0.273 264 M C -1.254 175.098 176.300 0.087 0.000 1.286 264 M CA -0.989 54.298 55.300 -0.021 0.000 0.807 264 M CB 2.310 34.748 32.600 -0.270 0.000 1.684 264 M HN 0.382 nan 8.290 nan 0.000 0.458 265 Q N 0.023 119.904 119.800 0.134 0.000 2.438 265 Q HA 0.639 4.979 4.340 -0.000 0.000 0.272 265 Q C -2.197 174.048 176.000 0.408 0.000 0.994 265 Q CA -0.344 55.637 55.803 0.296 0.000 0.887 265 Q CB 2.226 31.074 28.738 0.183 0.000 1.432 265 Q HN 0.712 nan 8.270 nan 0.000 0.392 266 F N 1.497 121.480 119.950 0.055 0.000 2.272 266 F HA 0.756 5.283 4.527 -0.000 0.000 0.316 266 F C -0.061 175.901 175.800 0.271 0.000 1.068 266 F CA -0.822 57.235 58.000 0.096 0.000 1.114 266 F CB 0.799 39.815 39.000 0.027 0.000 1.611 266 F HN 0.467 nan 8.300 nan 0.000 0.519 267 F N -0.392 119.665 119.950 0.179 0.000 2.680 267 F HA 0.406 4.933 4.527 -0.000 0.000 0.315 267 F C -0.502 175.324 175.800 0.043 0.000 1.099 267 F CA -0.414 57.624 58.000 0.064 0.000 1.033 267 F CB 1.590 40.598 39.000 0.014 0.000 1.285 267 F HN 0.391 nan 8.300 nan 0.000 0.457 268 S N 0.624 116.307 115.700 -0.028 0.000 2.707 268 S HA 0.528 4.998 4.470 -0.000 0.000 0.268 268 S C -0.827 173.724 174.600 -0.082 0.000 1.004 268 S CA -0.493 57.705 58.200 -0.003 0.000 0.902 268 S CB 1.182 64.407 63.200 0.041 0.000 1.157 268 S HN 0.675 nan 8.310 nan 0.000 0.468 269 T N 1.083 115.609 114.554 -0.046 0.000 2.769 269 T HA 0.597 4.947 4.350 -0.000 0.000 0.258 269 T C 0.628 175.301 174.700 -0.044 0.000 1.008 269 T CA -0.236 61.830 62.100 -0.057 0.000 1.021 269 T CB -0.565 68.280 68.868 -0.039 0.000 1.788 269 T HN 0.923 nan 8.240 nan 0.000 0.577 280 L N 1.169 122.379 121.223 -0.021 0.000 2.874 280 L HA 0.175 4.515 4.340 -0.000 0.000 0.270 280 L C 0.978 177.844 176.870 -0.007 0.000 1.404 280 L CA 0.542 55.369 54.840 -0.021 0.000 1.192 280 L CB -0.920 41.120 42.059 -0.031 0.000 1.415 280 L HN 0.329 nan 8.230 nan 0.000 0.443 281 T N 0.528 115.085 114.554 0.005 0.000 2.930 281 T HA 0.686 5.036 4.350 -0.000 0.000 0.290 281 T C -2.332 172.394 174.700 0.044 0.000 1.052 281 T CA -1.297 60.816 62.100 0.021 0.000 1.017 281 T CB 1.553 70.434 68.868 0.021 0.000 1.137 281 T HN 0.251 nan 8.240 nan 0.000 0.511 282 P HA 0.578 nan 4.420 nan 0.000 0.281 282 P C -0.461 176.904 177.300 0.108 0.000 1.249 282 P CA -0.407 62.754 63.100 0.102 0.000 0.810 282 P CB 1.339 33.097 31.700 0.098 0.000 1.008 283 K N -0.049 120.424 120.400 0.123 0.000 2.400 283 K HA 0.187 4.507 4.320 -0.000 0.000 0.155 283 K C -0.626 176.023 176.600 0.082 0.000 1.954 283 K CA 0.365 56.715 56.287 0.106 0.000 1.203 283 K CB 0.226 32.767 32.500 0.070 0.000 2.000 283 K HN 0.187 nan 8.250 nan 0.000 0.532 284 V N 0.384 120.335 119.914 0.062 0.000 3.113 284 V HA 0.753 4.873 4.120 -0.000 0.000 0.316 284 V C -1.059 174.830 176.094 -0.341 0.000 1.125 284 V CA -0.780 61.498 62.300 -0.038 0.000 1.026 284 V CB 2.193 34.061 31.823 0.076 0.000 1.080 284 V HN -0.170 nan 8.190 nan 0.000 0.444 285 V N 3.000 122.681 119.914 -0.388 0.000 3.882 285 V HA 0.324 4.444 4.120 -0.000 0.000 0.239 285 V C -1.599 174.295 176.094 -0.333 0.000 1.099 285 V CA 0.086 62.008 62.300 -0.630 0.000 1.116 285 V CB 1.263 32.773 31.823 -0.521 0.000 0.886 285 V HN 0.633 nan 8.190 nan 0.000 0.489 286 L N 5.297 126.338 121.223 -0.303 0.000 2.388 286 L HA 0.775 5.115 4.340 -0.000 0.000 0.264 286 L C -0.768 176.053 176.870 -0.081 0.000 0.998 286 L CA -0.311 54.480 54.840 -0.082 0.000 0.817 286 L CB 2.360 44.408 42.059 -0.019 0.000 1.338 286 L HN 0.500 nan 8.230 nan 0.000 0.414 287 Y N -0.619 119.662 120.300 -0.032 0.000 2.679 287 Y HA 0.843 5.393 4.550 -0.000 0.000 0.331 287 Y C 0.529 176.429 175.900 0.000 0.000 1.183 287 Y CA -0.967 57.129 58.100 -0.007 0.000 1.290 287 Y CB 1.252 39.706 38.460 -0.011 0.000 1.489 287 Y HN 0.588 nan 8.280 nan 0.000 0.583 288 S N -1.199 114.627 115.700 0.210 0.000 2.819 288 S HA 0.852 5.322 4.470 -0.000 0.000 0.299 288 S C -1.263 173.384 174.600 0.079 0.000 1.192 288 S CA -0.906 57.359 58.200 0.109 0.000 0.847 288 S CB 3.011 66.260 63.200 0.082 0.000 1.224 288 S HN 0.775 nan 8.310 nan 0.000 0.537 289 E N -0.527 119.704 120.200 0.051 0.000 2.185 289 E HA 0.709 5.059 4.350 -0.000 0.000 0.249 289 E C -2.169 174.443 176.600 0.020 0.000 1.408 289 E CA -0.760 55.660 56.400 0.033 0.000 0.937 289 E CB 0.252 29.966 29.700 0.023 0.000 1.581 289 E HN 0.563 nan 8.360 nan 0.000 0.498 290 D N -1.486 118.918 120.400 0.006 0.000 2.884 290 D HA 0.552 5.192 4.640 -0.000 0.000 0.255 290 D C -1.729 174.558 176.300 -0.023 0.000 1.142 290 D CA 0.224 54.221 54.000 -0.005 0.000 0.726 290 D CB 2.001 42.803 40.800 0.003 0.000 1.436 290 D HN 0.947 nan 8.370 nan 0.000 0.441 291 V N -1.183 118.707 119.914 -0.040 0.000 3.304 291 V HA 0.514 4.634 4.120 -0.000 0.000 0.287 291 V C -1.006 175.040 176.094 -0.081 0.000 1.640 291 V CA -1.160 61.103 62.300 -0.062 0.000 1.051 291 V CB 1.372 33.143 31.823 -0.085 0.000 1.175 291 V HN 0.549 nan 8.190 nan 0.000 0.475 292 D N 0.490 120.833 120.400 -0.095 0.000 2.425 292 D HA 0.462 5.102 4.640 -0.000 0.000 0.247 292 D C -0.373 175.835 176.300 -0.153 0.000 1.147 292 D CA 0.488 54.428 54.000 -0.100 0.000 0.879 292 D CB 1.414 42.163 40.800 -0.086 0.000 1.179 292 D HN 0.647 nan 8.370 nan 0.000 0.456 293 I N 2.191 122.680 120.570 -0.134 0.000 3.078 293 I HA 0.178 4.348 4.170 -0.000 0.000 0.318 293 I C 0.045 176.055 176.117 -0.179 0.000 1.016 293 I CA -0.317 60.877 61.300 -0.177 0.000 1.130 293 I CB 1.062 38.981 38.000 -0.135 0.000 1.397 293 I HN 0.230 nan 8.210 nan 0.000 0.570 294 E N 0.777 120.825 120.200 -0.253 0.000 3.666 294 E HA 0.188 4.538 4.350 -0.000 0.000 0.230 294 E C -0.060 176.386 176.600 -0.256 0.000 1.235 294 E CA -0.006 56.266 56.400 -0.214 0.000 1.096 294 E CB 0.532 30.111 29.700 -0.201 0.000 1.287 294 E HN 0.642 nan 8.360 nan 0.000 0.406 295 T N -1.418 113.067 114.554 -0.116 0.000 3.067 295 T HA 0.003 4.353 4.350 -0.000 0.000 0.261 295 T C -1.201 173.513 174.700 0.023 0.000 1.110 295 T CA -0.119 61.953 62.100 -0.047 0.000 1.113 295 T CB -0.675 68.170 68.868 -0.038 0.000 0.917 295 T HN 0.176 nan 8.240 nan 0.000 0.499 296 P HA -0.265 nan 4.420 nan 0.000 0.221 296 P C 0.789 178.022 177.300 -0.112 0.000 0.967 296 P CA 2.019 65.120 63.100 0.001 0.000 1.038 296 P CB -0.286 31.459 31.700 0.075 0.000 0.731 297 D N -0.849 119.537 120.400 -0.024 0.000 1.799 297 D HA -0.066 4.574 4.640 -0.000 0.000 0.258 297 D C 0.066 176.160 176.300 -0.344 0.000 1.087 297 D CA 0.692 54.570 54.000 -0.203 0.000 0.939 297 D CB -2.210 38.485 40.800 -0.175 0.000 1.307 297 D HN 0.127 nan 8.370 nan 0.000 0.466 298 T N -0.102 114.325 114.554 -0.210 0.000 2.308 298 T HA -0.099 4.251 4.350 -0.000 0.000 0.204 298 T C 0.485 175.177 174.700 -0.013 0.000 1.089 298 T CA 0.573 62.611 62.100 -0.104 0.000 1.419 298 T CB -0.616 68.164 68.868 -0.148 0.000 1.041 298 T HN 0.383 nan 8.240 nan 0.000 0.458 299 H N 2.883 121.924 119.070 -0.048 0.000 2.296 299 H HA 0.725 5.281 4.556 -0.000 0.000 0.328 299 H C 0.954 176.260 175.328 -0.037 0.000 1.162 299 H CA -0.426 55.600 56.048 -0.037 0.000 1.717 299 H CB 0.188 29.923 29.762 -0.044 0.000 1.514 299 H HN 0.646 nan 8.280 nan 0.000 0.621 300 I N -2.062 118.560 120.570 0.086 0.000 3.193 300 I HA 0.241 4.411 4.170 -0.000 0.000 0.318 300 I C -0.694 175.394 176.117 -0.048 0.000 1.420 300 I CA -0.232 61.068 61.300 0.000 0.000 0.910 300 I CB 1.509 39.499 38.000 -0.017 0.000 1.277 300 I HN 0.486 nan 8.210 nan 0.000 0.516 301 S N 0.062 115.759 115.700 -0.004 0.000 3.362 301 S HA 0.474 4.944 4.470 -0.000 0.000 0.235 301 S C -0.673 173.974 174.600 0.077 0.000 1.026 301 S CA -0.202 58.031 58.200 0.056 0.000 1.257 301 S CB 0.308 63.587 63.200 0.132 0.000 1.187 301 S HN 0.526 nan 8.310 nan 0.000 0.660 302 Y N 1.181 121.471 120.300 -0.016 0.000 2.607 302 Y HA 0.376 4.926 4.550 -0.000 0.000 0.348 302 Y C 0.246 176.136 175.900 -0.017 0.000 1.261 302 Y CA -0.523 57.565 58.100 -0.020 0.000 1.480 302 Y CB 0.243 38.687 38.460 -0.026 0.000 1.358 302 Y HN 0.535 nan 8.280 nan 0.000 0.630 303 M N 6.190 125.587 119.600 -0.339 0.000 2.108 303 M HA 0.220 4.700 4.480 -0.000 0.000 0.347 303 M C -1.994 173.948 176.300 -0.596 0.000 1.326 303 M CA -2.014 53.051 55.300 -0.390 0.000 1.126 303 M CB 1.010 33.512 32.600 -0.163 0.000 1.606 303 M HN 0.614 nan 8.290 nan 0.000 0.462 304 P HA -0.066 nan 4.420 nan 0.000 0.202 304 P C -0.227 176.948 177.300 -0.209 0.000 1.149 304 P CA 1.178 64.007 63.100 -0.452 0.000 0.931 304 P CB 0.105 31.632 31.700 -0.287 0.000 0.762 305 T N 0.635 115.098 114.554 -0.152 0.000 2.779 305 T HA 0.364 4.714 4.350 -0.000 0.000 0.280 305 T C 0.444 175.092 174.700 -0.086 0.000 0.987 305 T CA -0.595 61.444 62.100 -0.103 0.000 0.966 305 T CB 0.288 69.098 68.868 -0.096 0.000 0.933 305 T HN -0.181 nan 8.240 nan 0.000 0.442 306 I N 2.063 122.593 120.570 -0.066 0.000 3.846 306 I HA 0.434 4.604 4.170 -0.000 0.000 0.233 306 I C 1.403 177.498 176.117 -0.037 0.000 1.435 306 I CA -0.819 60.451 61.300 -0.049 0.000 0.795 306 I CB -0.487 37.491 38.000 -0.037 0.000 1.760 306 I HN 0.738 nan 8.210 nan 0.000 0.818 307 K N -0.192 120.193 120.400 -0.025 0.000 2.128 307 K HA -0.297 4.023 4.320 -0.000 0.000 0.209 307 K C 0.076 176.667 176.600 -0.014 0.000 1.577 307 K CA 1.787 58.064 56.287 -0.016 0.000 0.659 307 K CB -0.511 31.979 32.500 -0.016 0.000 0.684 307 K HN 0.755 nan 8.250 nan 0.000 0.906 308 E N -0.772 119.423 120.200 -0.008 0.000 2.207 308 E HA 0.536 4.886 4.350 -0.000 0.000 0.270 308 E C -1.006 175.595 176.600 0.002 0.000 0.927 308 E CA -0.037 56.362 56.400 -0.001 0.000 0.799 308 E CB 1.853 31.557 29.700 0.006 0.000 1.172 308 E HN 0.723 nan 8.360 nan 0.000 0.404 309 G N 2.864 111.671 108.800 0.011 0.000 3.326 309 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.681 309 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.681 309 G C -0.736 174.174 174.900 0.018 0.000 1.255 309 G CA -0.609 44.506 45.100 0.024 0.000 0.976 309 G HN 0.592 nan 8.290 nan 0.000 0.563 310 N N 2.039 120.771 118.700 0.052 0.000 2.623 310 N HA 0.132 4.872 4.740 -0.000 0.000 0.263 310 N C 1.397 176.967 175.510 0.099 0.000 1.218 310 N CA 0.291 53.377 53.050 0.060 0.000 0.949 310 N CB 0.272 38.807 38.487 0.080 0.000 1.270 310 N HN 0.704 nan 8.380 nan 0.000 0.507 311 S N 2.172 117.882 115.700 0.016 0.000 3.651 311 S HA -0.204 4.266 4.470 -0.000 0.000 0.282 311 S C 1.565 176.005 174.600 -0.266 0.000 1.616 311 S CA 0.477 58.599 58.200 -0.130 0.000 1.293 311 S CB 0.042 63.075 63.200 -0.279 0.000 0.626 311 S HN 0.613 nan 8.310 nan 0.000 0.377 312 R N 0.373 120.376 120.500 -0.828 0.000 2.223 312 R HA 0.320 4.660 4.340 -0.000 0.000 0.198 312 R C 0.800 176.898 176.300 -0.337 0.000 0.984 312 R CA 0.346 55.920 56.100 -0.877 0.000 1.018 312 R CB -0.124 29.317 30.300 -1.432 0.000 0.945 312 R HN 0.421 nan 8.270 nan 0.000 0.479 313 E N 1.334 121.367 120.200 -0.278 0.000 2.280 313 E HA 0.176 4.526 4.350 -0.000 0.000 0.279 313 E C -0.683 175.853 176.600 -0.107 0.000 1.325 313 E CA -0.026 56.285 56.400 -0.150 0.000 1.486 313 E CB 0.389 30.009 29.700 -0.134 0.000 1.466 313 E HN 0.279 nan 8.360 nan 0.000 0.473 314 L N 1.461 122.639 121.223 -0.075 0.000 3.088 314 L HA 0.306 4.646 4.340 -0.000 0.000 0.337 314 L C -0.190 176.668 176.870 -0.020 0.000 1.293 314 L CA 0.226 55.034 54.840 -0.054 0.000 0.784 314 L CB 0.478 42.516 42.059 -0.035 0.000 1.215 314 L HN 0.179 nan 8.230 nan 0.000 0.581 315 M N 0.090 119.682 119.600 -0.013 0.000 3.402 315 M HA 0.366 4.846 4.480 -0.000 0.000 0.372 315 M C 0.556 176.868 176.300 0.020 0.000 1.610 315 M CA 0.086 55.388 55.300 0.004 0.000 0.650 315 M CB 1.312 33.918 32.600 0.009 0.000 1.421 315 M HN 0.192 nan 8.290 nan 0.000 0.493 316 G N 0.122 108.936 108.800 0.024 0.000 4.517 316 G HA2 0.080 4.040 3.960 -0.000 0.000 0.258 316 G HA3 0.080 4.040 3.960 -0.000 0.000 0.258 316 G C 0.092 175.064 174.900 0.120 0.000 1.038 316 G CA -0.189 44.978 45.100 0.111 0.000 0.810 316 G HN 0.445 nan 8.290 nan 0.000 0.383 317 Q N 0.443 120.245 119.800 0.004 0.000 2.316 317 Q HA 0.563 4.903 4.340 -0.000 0.000 0.215 317 Q C -1.072 174.958 176.000 0.050 0.000 1.020 317 Q CA -0.086 55.704 55.803 -0.022 0.000 0.970 317 Q CB 0.507 29.212 28.738 -0.056 0.000 1.187 317 Q HN 0.329 nan 8.270 nan 0.000 0.546 318 Q N 0.287 120.114 119.800 0.045 0.000 2.536 318 Q HA 0.251 4.591 4.340 -0.000 0.000 0.231 318 Q C -0.454 175.570 176.000 0.041 0.000 0.811 318 Q CA -0.308 55.532 55.803 0.062 0.000 0.966 318 Q CB 1.226 30.016 28.738 0.086 0.000 1.512 318 Q HN 0.679 nan 8.270 nan 0.000 0.456 319 S N 1.959 117.681 115.700 0.037 0.000 2.548 319 S HA -0.152 4.318 4.470 -0.000 0.000 0.252 319 S C 0.702 175.317 174.600 0.025 0.000 1.076 319 S CA 1.323 59.542 58.200 0.032 0.000 1.395 319 S CB -0.133 63.042 63.200 -0.042 0.000 1.230 319 S HN 0.776 nan 8.310 nan 0.000 0.418 320 M N 0.051 119.642 119.600 -0.015 0.000 4.047 320 M HA -0.081 4.399 4.480 -0.000 0.000 0.157 320 M C -2.950 173.374 176.300 0.041 0.000 1.532 320 M CA -0.487 54.812 55.300 -0.002 0.000 1.097 320 M CB -0.773 31.809 32.600 -0.030 0.000 1.346 320 M HN 0.102 nan 8.290 nan 0.000 0.191 321 P HA 0.040 nan 4.420 nan 0.000 0.273 321 P C 0.047 177.406 177.300 0.099 0.000 1.248 321 P CA 0.084 63.173 63.100 -0.018 0.000 0.817 321 P CB 0.451 32.156 31.700 0.008 0.000 0.995 322 N N -0.227 118.485 118.700 0.019 0.000 2.996 322 N HA 0.302 5.042 4.740 -0.000 0.000 0.312 322 N C -0.173 175.326 175.510 -0.019 0.000 1.362 322 N CA -0.401 52.670 53.050 0.035 0.000 0.714 322 N CB 0.382 38.821 38.487 -0.080 0.000 1.171 322 N HN 0.166 nan 8.380 nan 0.000 0.478 323 R N 1.267 121.742 120.500 -0.041 0.000 2.295 323 R HA 0.366 4.706 4.340 -0.000 0.000 0.324 323 R C -2.314 173.962 176.300 -0.040 0.000 0.968 323 R CA -1.592 54.486 56.100 -0.038 0.000 0.837 323 R CB 1.434 31.727 30.300 -0.012 0.000 1.133 323 R HN 0.337 nan 8.270 nan 0.000 0.450 324 P HA -0.060 nan 4.420 nan 0.000 0.263 324 P C -0.945 176.413 177.300 0.096 0.000 1.345 324 P CA 0.111 63.262 63.100 0.086 0.000 1.119 324 P CB 0.252 32.145 31.700 0.321 0.000 1.363 325 N N 2.840 121.500 118.700 -0.067 0.000 3.124 325 N HA 0.046 4.786 4.740 -0.000 0.000 0.284 325 N C -0.595 174.889 175.510 -0.043 0.000 1.209 325 N CA -0.346 52.692 53.050 -0.020 0.000 1.149 325 N CB -0.478 37.980 38.487 -0.049 0.000 1.434 325 N HN 0.316 nan 8.380 nan 0.000 0.529 326 Y N 2.035 122.308 120.300 -0.045 0.000 2.573 326 Y HA 0.172 4.722 4.550 -0.000 0.000 0.346 326 Y C 0.846 176.794 175.900 0.080 0.000 1.198 326 Y CA -0.100 58.003 58.100 0.005 0.000 1.627 326 Y CB 0.165 38.623 38.460 -0.003 0.000 1.457 326 Y HN 0.216 nan 8.280 nan 0.000 0.483 327 I N 3.911 124.643 120.570 0.271 0.000 2.256 327 I HA 0.291 4.461 4.170 -0.000 0.000 0.294 327 I C 0.140 176.421 176.117 0.273 0.000 1.127 327 I CA -0.153 61.311 61.300 0.273 0.000 1.247 327 I CB -0.107 38.089 38.000 0.327 0.000 1.460 327 I HN 0.455 nan 8.210 nan 0.000 0.511 328 A N 6.537 129.491 122.820 0.225 0.000 2.331 328 A HA 0.513 4.833 4.320 -0.000 0.000 0.320 328 A C -0.666 177.032 177.584 0.190 0.000 1.138 328 A CA -0.535 51.635 52.037 0.222 0.000 0.790 328 A CB 0.851 19.990 19.000 0.231 0.000 1.206 328 A HN 0.538 nan 8.150 nan 0.000 0.470 329 F N 3.712 123.686 119.950 0.039 0.000 2.623 329 F HA 0.095 4.622 4.527 -0.000 0.000 0.383 329 F C 1.534 177.345 175.800 0.020 0.000 1.077 329 F CA 0.327 58.331 58.000 0.007 0.000 1.268 329 F CB 0.637 39.604 39.000 -0.054 0.000 1.053 329 F HN 0.647 nan 8.300 nan 0.000 0.571 330 R N 3.801 124.058 120.500 -0.405 0.000 2.598 330 R HA -0.145 4.195 4.340 -0.000 0.000 0.266 330 R C -0.153 176.146 176.300 -0.002 0.000 0.977 330 R CA -0.068 55.898 56.100 -0.223 0.000 1.097 330 R CB -0.312 29.772 30.300 -0.361 0.000 0.911 330 R HN 0.663 nan 8.270 nan 0.000 0.419 331 D N 1.209 121.626 120.400 0.029 0.000 2.482 331 D HA -0.159 4.481 4.640 -0.000 0.000 0.228 331 D C -0.074 176.332 176.300 0.176 0.000 1.257 331 D CA 1.054 55.112 54.000 0.096 0.000 0.885 331 D CB 0.167 41.009 40.800 0.071 0.000 1.242 331 D HN 0.473 nan 8.370 nan 0.000 0.520 332 N N 1.927 120.755 118.700 0.213 0.000 3.046 332 N HA -0.285 4.455 4.740 -0.000 0.000 0.301 332 N C -0.177 175.586 175.510 0.421 0.000 1.069 332 N CA 0.031 53.280 53.050 0.332 0.000 0.855 332 N CB -0.580 38.123 38.487 0.360 0.000 0.940 332 N HN 0.358 nan 8.380 nan 0.000 0.623 333 F N -1.540 118.545 119.950 0.224 0.000 2.480 333 F HA -0.384 4.143 4.527 -0.000 0.000 0.722 333 F C 0.830 176.882 175.800 0.420 0.000 0.488 333 F CA 1.499 59.684 58.000 0.308 0.000 0.782 333 F CB -0.734 38.259 39.000 -0.011 0.000 2.110 333 F HN 0.344 nan 8.300 nan 0.000 0.267 334 I N -0.495 120.371 120.570 0.494 0.000 8.029 334 I HA 0.222 4.392 4.170 -0.000 0.000 0.261 334 I C 0.101 176.293 176.117 0.125 0.000 1.850 334 I CA 0.634 62.045 61.300 0.185 0.000 2.037 334 I CB -0.992 36.995 38.000 -0.023 0.000 3.756 334 I HN 1.764 nan 8.210 nan 0.000 0.169 335 G N 5.300 114.141 108.800 0.067 0.000 2.587 335 G HA2 0.051 4.011 3.960 -0.000 0.000 0.274 335 G HA3 0.051 4.011 3.960 -0.000 0.000 0.274 335 G C -0.563 174.409 174.900 0.121 0.000 1.046 335 G CA 0.358 45.484 45.100 0.044 0.000 1.308 335 G HN 1.319 nan 8.290 nan 0.000 0.529 336 L N -0.985 120.286 121.223 0.080 0.000 3.091 336 L HA 0.831 5.171 4.340 -0.000 0.000 0.230 336 L C 1.176 178.033 176.870 -0.022 0.000 1.556 336 L CA -1.570 53.307 54.840 0.061 0.000 1.607 336 L CB -0.213 41.865 42.059 0.032 0.000 1.757 336 L HN 0.208 nan 8.230 nan 0.000 0.515 337 M N 0.951 120.475 119.600 -0.127 0.000 2.146 337 M HA -0.197 4.283 4.480 -0.000 0.000 0.401 337 M C -0.805 175.356 176.300 -0.231 0.000 1.144 337 M CA 0.881 55.925 55.300 -0.427 0.000 0.764 337 M CB -0.304 31.480 32.600 -1.360 0.000 1.819 337 M HN 0.335 nan 8.290 nan 0.000 0.513 338 Y N 4.567 125.223 120.300 0.594 0.000 2.971 338 Y HA 0.115 4.665 4.550 -0.000 0.000 0.384 338 Y C -0.000 176.043 175.900 0.238 0.000 1.166 338 Y CA -0.437 57.750 58.100 0.145 0.000 1.973 338 Y CB -1.049 37.287 38.460 -0.207 0.000 2.082 338 Y HN 0.503 nan 8.280 nan 0.000 0.420 339 Y N -0.981 119.750 120.300 0.718 0.000 2.806 339 Y HA -0.146 4.404 4.550 -0.000 0.000 0.216 339 Y C 1.096 177.184 175.900 0.313 0.000 0.928 339 Y CA 0.204 58.637 58.100 0.556 0.000 0.941 339 Y CB -0.994 37.686 38.460 0.368 0.000 1.058 339 Y HN 0.024 nan 8.280 nan 0.000 0.498 340 N N 1.554 120.517 118.700 0.437 0.000 2.111 340 N HA 0.037 4.777 4.740 -0.000 0.000 0.281 340 N C -0.749 174.903 175.510 0.238 0.000 1.384 340 N CA 0.509 53.700 53.050 0.234 0.000 0.994 340 N CB -0.114 38.441 38.487 0.113 0.000 1.411 340 N HN 0.305 nan 8.380 nan 0.000 0.485 341 S N -0.554 115.252 115.700 0.176 0.000 2.716 341 S HA 0.065 4.535 4.470 -0.000 0.000 0.277 341 S C 0.236 174.824 174.600 -0.019 0.000 0.874 341 S CA -0.451 57.804 58.200 0.091 0.000 1.049 341 S CB 0.140 63.441 63.200 0.168 0.000 1.319 341 S HN 0.475 nan 8.310 nan 0.000 0.457 342 T N 0.688 115.182 114.554 -0.100 0.000 3.174 342 T HA 0.270 4.620 4.350 -0.000 0.000 0.252 342 T C 1.638 176.202 174.700 -0.227 0.000 0.984 342 T CA 0.544 62.564 62.100 -0.133 0.000 1.113 342 T CB -0.696 68.127 68.868 -0.074 0.000 1.088 342 T HN 1.060 nan 8.240 nan 0.000 0.442 343 G N 1.940 110.608 108.800 -0.219 0.000 3.229 343 G HA2 0.138 4.098 3.960 -0.000 0.000 0.214 343 G HA3 0.138 4.098 3.960 -0.000 0.000 0.214 343 G C 0.083 174.740 174.900 -0.404 0.000 1.256 343 G CA -0.083 44.871 45.100 -0.243 0.000 1.042 343 G HN 0.443 nan 8.290 nan 0.000 0.497 344 N N -0.566 117.791 118.700 -0.572 0.000 3.261 344 N HA 0.270 5.010 4.740 -0.000 0.000 0.227 344 N C -0.852 174.172 175.510 -0.810 0.000 1.338 344 N CA -0.218 52.309 53.050 -0.872 0.000 0.833 344 N CB 1.047 38.444 38.487 -1.816 0.000 1.606 344 N HN 0.165 nan 8.380 nan 0.000 0.649 345 M N 0.119 119.239 119.600 -0.800 0.000 2.981 345 M HA 0.457 4.937 4.480 -0.000 0.000 0.510 345 M C -1.215 174.479 176.300 -1.010 0.000 2.068 345 M CA -0.499 54.064 55.300 -1.229 0.000 0.763 345 M CB 1.652 33.702 32.600 -0.917 0.000 3.696 345 M HN 0.403 nan 8.290 nan 0.000 0.490 346 G N -0.011 108.274 108.800 -0.858 0.000 2.561 346 G HA2 0.573 4.533 3.960 -0.000 0.000 0.310 346 G HA3 0.573 4.533 3.960 -0.000 0.000 0.310 346 G C -1.973 172.828 174.900 -0.166 0.000 1.292 346 G CA -0.548 44.297 45.100 -0.424 0.000 0.811 346 G HN 0.545 nan 8.290 nan 0.000 0.482 347 V N 0.111 119.945 119.914 -0.133 0.000 2.863 347 V HA 0.696 4.816 4.120 -0.000 0.000 0.307 347 V C 0.273 176.442 176.094 0.125 0.000 1.061 347 V CA -0.193 62.092 62.300 -0.025 0.000 1.024 347 V CB 1.543 33.336 31.823 -0.050 0.000 1.049 347 V HN 0.934 nan 8.190 nan 0.000 0.471 348 L N 2.362 123.728 121.223 0.238 0.000 3.126 348 L HA 0.480 4.820 4.340 -0.000 0.000 0.355 348 L C 0.315 177.282 176.870 0.161 0.000 1.288 348 L CA 0.930 56.023 54.840 0.421 0.000 0.852 348 L CB -0.553 41.851 42.059 0.575 0.000 1.193 348 L HN 0.666 nan 8.230 nan 0.000 0.565 349 A N -0.555 122.297 122.820 0.054 0.000 3.280 349 A HA 0.973 5.293 4.320 -0.000 0.000 0.203 349 A C 0.915 178.389 177.584 -0.183 0.000 2.143 349 A CA 0.679 52.675 52.037 -0.069 0.000 1.168 349 A CB -0.545 18.425 19.000 -0.050 0.000 1.267 349 A HN 0.698 nan 8.150 nan 0.000 0.436 350 G N -2.848 105.874 108.800 -0.129 0.000 2.706 350 G HA2 0.454 4.414 3.960 -0.000 0.000 0.307 350 G HA3 0.454 4.414 3.960 -0.000 0.000 0.307 350 G C -0.589 174.273 174.900 -0.063 0.000 1.307 350 G CA 0.417 45.432 45.100 -0.141 0.000 0.790 350 G HN 0.397 nan 8.290 nan 0.000 0.503 351 Q N -0.918 118.853 119.800 -0.049 0.000 2.247 351 Q HA 0.391 4.731 4.340 -0.000 0.000 0.211 351 Q C 1.048 177.027 176.000 -0.034 0.000 0.861 351 Q CA 0.637 56.425 55.803 -0.025 0.000 0.949 351 Q CB 1.774 30.511 28.738 -0.002 0.000 1.115 351 Q HN 0.641 nan 8.270 nan 0.000 0.507 352 A N 0.207 122.996 122.820 -0.053 0.000 2.635 352 A HA 0.408 4.728 4.320 -0.000 0.000 0.279 352 A C 0.890 178.429 177.584 -0.075 0.000 1.122 352 A CA 0.006 52.010 52.037 -0.056 0.000 0.965 352 A CB 0.561 19.530 19.000 -0.051 0.000 1.221 352 A HN 0.191 nan 8.150 nan 0.000 0.566 353 S N -1.097 114.554 115.700 -0.081 0.000 3.669 353 S HA 0.394 4.864 4.470 -0.000 0.000 0.171 353 S C 0.615 175.176 174.600 -0.065 0.000 0.855 353 S CA 0.582 58.731 58.200 -0.086 0.000 1.037 353 S CB 0.045 63.176 63.200 -0.115 0.000 1.477 353 S HN 0.998 nan 8.310 nan 0.000 0.854 354 Q N 0.014 119.776 119.800 -0.064 0.000 2.414 354 Q HA -0.074 4.266 4.340 -0.000 0.000 0.211 354 Q C -0.762 175.216 176.000 -0.037 0.000 0.638 354 Q CA 0.370 56.146 55.803 -0.045 0.000 1.332 354 Q CB -2.447 26.267 28.738 -0.040 0.000 1.094 354 Q HN 0.549 nan 8.270 nan 0.000 0.941 355 L N 2.469 123.663 121.223 -0.048 0.000 2.939 355 L HA 0.231 4.571 4.340 -0.000 0.000 0.239 355 L C 0.833 177.691 176.870 -0.020 0.000 1.325 355 L CA 0.255 55.075 54.840 -0.034 0.000 1.170 355 L CB -1.124 40.908 42.059 -0.046 0.000 1.538 355 L HN 0.396 nan 8.230 nan 0.000 0.452 356 N N 0.465 119.162 118.700 -0.006 0.000 2.374 356 N HA 0.015 4.755 4.740 -0.000 0.000 0.241 356 N C 0.567 176.104 175.510 0.044 0.000 1.262 356 N CA 0.858 53.925 53.050 0.027 0.000 0.880 356 N CB 1.114 39.626 38.487 0.041 0.000 1.105 356 N HN 0.188 nan 8.380 nan 0.000 0.438 357 A N 1.489 124.352 122.820 0.071 0.000 2.358 357 A HA 0.235 4.555 4.320 -0.000 0.000 0.223 357 A C 0.020 177.692 177.584 0.148 0.000 1.218 357 A CA -0.280 51.817 52.037 0.099 0.000 0.942 357 A CB -0.256 18.797 19.000 0.090 0.000 1.005 357 A HN 0.517 nan 8.150 nan 0.000 0.514 358 V N 1.596 121.607 119.914 0.162 0.000 2.707 358 V HA 0.014 4.134 4.120 -0.000 0.000 0.291 358 V C -0.260 175.951 176.094 0.196 0.000 1.002 358 V CA 0.826 63.265 62.300 0.231 0.000 1.200 358 V CB -0.696 31.282 31.823 0.258 0.000 0.854 358 V HN 0.194 nan 8.190 nan 0.000 0.462 359 V N 4.929 124.998 119.914 0.259 0.000 2.668 359 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 359 V C -0.368 175.875 176.094 0.248 0.000 1.071 359 V CA -0.489 61.931 62.300 0.201 0.000 0.894 359 V CB 2.107 34.029 31.823 0.165 0.000 1.008 359 V HN 0.955 nan 8.190 nan 0.000 0.425 360 D N 2.144 122.655 120.400 0.185 0.000 2.759 360 D HA 0.748 5.388 4.640 -0.000 0.000 0.321 360 D C -0.712 175.657 176.300 0.114 0.000 1.267 360 D CA -0.151 53.958 54.000 0.182 0.000 0.933 360 D CB 2.374 43.329 40.800 0.258 0.000 1.431 360 D HN 0.358 nan 8.370 nan 0.000 0.504 361 L N -1.015 120.269 121.223 0.101 0.000 3.317 361 L HA 0.447 4.787 4.340 -0.000 0.000 0.224 361 L C 0.861 177.770 176.870 0.064 0.000 1.944 361 L CA -0.704 54.178 54.840 0.070 0.000 1.937 361 L CB 0.196 42.292 42.059 0.062 0.000 1.936 361 L HN 0.242 nan 8.230 nan 0.000 0.556 362 Q N -0.401 119.430 119.800 0.051 0.000 2.211 362 Q HA 0.176 4.516 4.340 -0.000 0.000 0.242 362 Q C -0.078 175.942 176.000 0.034 0.000 0.825 362 Q CA -0.170 55.656 55.803 0.039 0.000 0.951 362 Q CB 1.373 30.128 28.738 0.028 0.000 1.130 362 Q HN 0.503 nan 8.270 nan 0.000 0.496 363 D N 1.705 122.127 120.400 0.037 0.000 2.267 363 D HA -0.009 4.631 4.640 -0.000 0.000 0.258 363 D C 0.593 176.906 176.300 0.022 0.000 1.207 363 D CA 0.028 54.034 54.000 0.010 0.000 0.954 363 D CB -0.349 40.469 40.800 0.029 0.000 0.975 363 D HN -0.056 nan 8.370 nan 0.000 0.371 364 R N 1.112 121.623 120.500 0.018 0.000 2.375 364 R HA -0.213 4.127 4.340 -0.000 0.000 0.287 364 R C -0.345 175.979 176.300 0.039 0.000 0.964 364 R CA 0.803 56.908 56.100 0.009 0.000 1.057 364 R CB -0.042 30.267 30.300 0.014 0.000 0.815 364 R HN 0.264 nan 8.270 nan 0.000 0.432 365 N N 0.930 119.629 118.700 -0.003 0.000 2.549 365 N HA 0.101 4.841 4.740 -0.000 0.000 0.290 365 N C -1.065 174.366 175.510 -0.131 0.000 1.122 365 N CA -0.316 52.750 53.050 0.027 0.000 0.885 365 N CB 1.767 40.379 38.487 0.207 0.000 1.455 365 N HN 0.578 nan 8.380 nan 0.000 0.521 366 T N -0.395 114.009 114.554 -0.250 0.000 3.228 366 T HA 0.232 4.582 4.350 -0.000 0.000 0.278 366 T C 0.382 174.757 174.700 -0.542 0.000 1.014 366 T CA -0.274 61.577 62.100 -0.415 0.000 0.904 366 T CB 0.156 68.688 68.868 -0.560 0.000 1.110 366 T HN 0.415 nan 8.240 nan 0.000 0.541 367 E N 0.829 120.792 120.200 -0.396 0.000 2.340 367 E HA 0.202 4.552 4.350 -0.000 0.000 0.198 367 E C 1.186 177.635 176.600 -0.252 0.000 0.961 367 E CA 0.097 56.303 56.400 -0.323 0.000 0.905 367 E CB 0.151 29.753 29.700 -0.165 0.000 0.884 367 E HN 0.416 nan 8.360 nan 0.000 0.491 368 L N 0.432 121.534 121.223 -0.201 0.000 3.135 368 L HA 0.367 4.707 4.340 -0.000 0.000 0.279 368 L C 1.199 177.952 176.870 -0.196 0.000 1.200 368 L CA 0.300 55.089 54.840 -0.085 0.000 1.016 368 L CB 0.252 42.369 42.059 0.098 0.000 1.391 368 L HN -0.223 nan 8.230 nan 0.000 0.588 369 S N -0.203 115.266 115.700 -0.385 0.000 2.428 369 S HA -0.201 4.269 4.470 -0.000 0.000 0.240 369 S C 0.917 175.450 174.600 -0.112 0.000 1.036 369 S CA 2.462 60.499 58.200 -0.272 0.000 1.009 369 S CB -0.427 62.599 63.200 -0.291 0.000 0.803 369 S HN 0.761 nan 8.310 nan 0.000 0.486 370 Y N -2.119 118.203 120.300 0.037 0.000 3.288 370 Y HA 0.549 5.099 4.550 -0.000 0.000 0.346 370 Y C 1.465 177.363 175.900 -0.004 0.000 1.333 370 Y CA -0.868 57.250 58.100 0.030 0.000 0.853 370 Y CB -0.094 38.392 38.460 0.043 0.000 1.155 370 Y HN -0.187 nan 8.280 nan 0.000 0.862 371 Q N -1.060 118.941 119.800 0.336 0.000 4.152 371 Q HA -0.251 4.089 4.340 -0.000 0.000 0.221 371 Q C 1.169 177.066 176.000 -0.172 0.000 2.114 371 Q CA 1.558 57.420 55.803 0.097 0.000 0.736 371 Q CB -1.865 26.984 28.738 0.186 0.000 0.635 371 Q HN 0.842 nan 8.270 nan 0.000 0.862 372 L N 0.645 121.755 121.223 -0.189 0.000 1.960 372 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 372 L C 1.981 178.702 176.870 -0.248 0.000 1.090 372 L CA 1.724 56.323 54.840 -0.403 0.000 0.759 372 L CB -0.705 41.271 42.059 -0.139 0.000 0.892 372 L HN 0.259 nan 8.230 nan 0.000 0.436 373 L N -0.167 121.010 121.223 -0.076 0.000 2.251 373 L HA -0.320 4.020 4.340 -0.000 0.000 0.226 373 L C 2.547 179.363 176.870 -0.090 0.000 1.103 373 L CA 2.444 57.249 54.840 -0.058 0.000 0.827 373 L CB -1.826 40.223 42.059 -0.016 0.000 0.907 373 L HN 0.572 nan 8.230 nan 0.000 0.449 374 L N -0.305 120.845 121.223 -0.121 0.000 2.554 374 L HA -0.091 4.249 4.340 -0.000 0.000 0.226 374 L C 1.865 178.671 176.870 -0.107 0.000 1.137 374 L CA 1.117 55.882 54.840 -0.126 0.000 0.863 374 L CB -0.247 41.715 42.059 -0.163 0.000 0.985 374 L HN 0.498 nan 8.230 nan 0.000 0.451 375 D N -2.034 118.283 120.400 -0.138 0.000 2.346 375 D HA -0.123 4.517 4.640 -0.000 0.000 0.206 375 D C 1.875 178.184 176.300 0.015 0.000 1.001 375 D CA 0.831 54.790 54.000 -0.070 0.000 0.871 375 D CB -0.175 40.488 40.800 -0.229 0.000 0.943 375 D HN 0.318 nan 8.370 nan 0.000 0.518 376 S N 0.378 116.076 115.700 -0.004 0.000 2.607 376 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 376 S C 0.998 175.624 174.600 0.043 0.000 0.969 376 S CA -0.314 57.913 58.200 0.044 0.000 0.927 376 S CB -0.958 62.261 63.200 0.032 0.000 0.772 376 S HN 0.567 nan 8.310 nan 0.000 0.533 377 I N -3.062 117.515 120.570 0.012 0.000 2.534 377 I HA 0.786 4.956 4.170 -0.000 0.000 0.288 377 I C -0.106 176.010 176.117 -0.002 0.000 1.077 377 I CA -0.723 60.580 61.300 0.005 0.000 1.051 377 I CB 1.387 39.370 38.000 -0.028 0.000 1.234 377 I HN 0.172 nan 8.210 nan 0.000 0.425 378 G N 4.153 112.959 108.800 0.010 0.000 3.383 378 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.685 378 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.685 378 G C -0.011 174.894 174.900 0.008 0.000 1.104 378 G CA -0.156 44.945 45.100 0.001 0.000 0.957 378 G HN 0.914 nan 8.290 nan 0.000 0.461 379 D N 1.022 121.422 120.400 0.001 0.000 2.280 379 D HA -0.162 4.478 4.640 -0.000 0.000 0.206 379 D C 1.962 178.243 176.300 -0.032 0.000 0.988 379 D CA 1.571 55.567 54.000 -0.006 0.000 0.886 379 D CB 0.165 40.953 40.800 -0.020 0.000 0.914 379 D HN 0.763 nan 8.370 nan 0.000 0.473 380 R N -1.688 118.778 120.500 -0.057 0.000 3.954 380 R HA -0.145 4.195 4.340 -0.000 0.000 0.422 380 R C 0.911 177.054 176.300 -0.262 0.000 1.091 380 R CA 1.261 57.304 56.100 -0.094 0.000 1.168 380 R CB -2.383 27.906 30.300 -0.018 0.000 1.752 380 R HN 0.025 nan 8.270 nan 0.000 0.547 381 T N 0.998 115.376 114.554 -0.293 0.000 3.227 381 T HA 0.036 4.386 4.350 -0.000 0.000 0.257 381 T C 0.069 174.237 174.700 -0.886 0.000 1.162 381 T CA 0.505 62.314 62.100 -0.485 0.000 1.051 381 T CB -0.200 68.546 68.868 -0.205 0.000 0.953 381 T HN 0.121 nan 8.240 nan 0.000 0.535 382 R N 2.054 122.233 120.500 -0.535 0.000 2.287 382 R HA 0.218 4.558 4.340 -0.000 0.000 0.316 382 R C -1.047 175.177 176.300 -0.127 0.000 1.050 382 R CA -0.401 55.553 56.100 -0.242 0.000 0.983 382 R CB -0.057 30.221 30.300 -0.038 0.000 1.140 382 R HN 0.530 nan 8.270 nan 0.000 0.528 383 Y N 1.168 121.503 120.300 0.058 0.000 2.958 383 Y HA 0.231 4.781 4.550 -0.000 0.000 0.336 383 Y C 1.026 176.796 175.900 -0.216 0.000 1.160 383 Y CA -1.342 56.731 58.100 -0.045 0.000 1.292 383 Y CB -0.159 38.340 38.460 0.065 0.000 1.306 383 Y HN 0.301 nan 8.280 nan 0.000 0.547 384 F N 2.052 121.967 119.950 -0.060 0.000 1.977 384 F HA -0.154 4.373 4.527 -0.000 0.000 0.259 384 F C 0.940 176.579 175.800 -0.268 0.000 1.330 384 F CA 1.761 59.695 58.000 -0.111 0.000 1.193 384 F CB 0.005 38.958 39.000 -0.079 0.000 1.564 384 F HN 0.479 nan 8.300 nan 0.000 0.541 385 S N -2.460 113.300 115.700 0.101 0.000 3.178 385 S HA 0.231 4.701 4.470 -0.000 0.000 0.300 385 S C -0.135 174.681 174.600 0.360 0.000 1.242 385 S CA -0.295 57.920 58.200 0.025 0.000 1.291 385 S CB 0.710 63.819 63.200 -0.151 0.000 1.484 385 S HN 0.721 nan 8.310 nan 0.000 0.468 386 M N 0.179 119.913 119.600 0.222 0.000 7.319 386 M HA -0.280 4.200 4.480 -0.000 0.000 0.292 386 M C 1.195 177.647 176.300 0.253 0.000 0.480 386 M CA 2.313 57.783 55.300 0.283 0.000 1.311 386 M CB -1.938 30.949 32.600 0.478 0.000 0.421 386 M HN 0.926 nan 8.290 nan 0.000 0.539 387 W N 0.997 122.335 121.300 0.064 0.000 2.274 387 W HA -0.325 4.335 4.660 -0.000 0.000 0.314 387 W C 0.712 177.195 176.519 -0.061 0.000 1.254 387 W CA 1.979 59.405 57.345 0.135 0.000 1.265 387 W CB -0.279 29.318 29.460 0.227 0.000 1.141 387 W HN 0.782 nan 8.180 nan 0.000 0.505 388 N N -2.345 116.525 118.700 0.285 0.000 4.951 388 N HA -0.160 4.580 4.740 -0.000 0.000 0.283 388 N C 0.580 176.192 175.510 0.170 0.000 0.993 388 N CA 0.471 53.622 53.050 0.168 0.000 0.917 388 N CB -1.480 37.075 38.487 0.113 0.000 1.663 388 N HN 0.040 nan 8.380 nan 0.000 0.697 389 Q N 1.331 121.238 119.800 0.178 0.000 2.014 389 Q HA -0.097 4.243 4.340 -0.000 0.000 0.207 389 Q C 0.734 176.778 176.000 0.073 0.000 0.993 389 Q CA 1.953 57.823 55.803 0.111 0.000 0.850 389 Q CB -0.222 28.590 28.738 0.124 0.000 0.916 389 Q HN 0.594 nan 8.270 nan 0.000 0.417 390 A N 1.251 124.061 122.820 -0.015 0.000 1.600 390 A HA -0.165 4.155 4.320 -0.000 0.000 0.269 390 A C 0.349 177.975 177.584 0.069 0.000 1.116 390 A CA 0.520 52.505 52.037 -0.087 0.000 1.028 390 A CB -1.393 17.608 19.000 0.001 0.000 1.026 390 A HN 0.319 nan 8.150 nan 0.000 0.277 391 V N 3.295 123.262 119.914 0.089 0.000 2.568 391 V HA -0.107 4.013 4.120 -0.000 0.000 0.270 391 V C 0.843 177.010 176.094 0.122 0.000 0.963 391 V CA 1.052 63.418 62.300 0.110 0.000 1.161 391 V CB -0.707 31.179 31.823 0.106 0.000 0.969 391 V HN 0.797 nan 8.190 nan 0.000 0.464 392 D N 4.507 124.967 120.400 0.101 0.000 2.434 392 D HA 0.314 4.954 4.640 -0.000 0.000 0.252 392 D C 0.356 176.762 176.300 0.177 0.000 1.185 392 D CA 0.607 54.681 54.000 0.123 0.000 0.886 392 D CB 0.629 41.455 40.800 0.043 0.000 1.148 392 D HN 0.668 nan 8.370 nan 0.000 0.483 393 S N 1.879 117.680 115.700 0.169 0.000 3.642 393 S HA 0.393 4.863 4.470 -0.000 0.000 0.312 393 S C -0.597 173.976 174.600 -0.046 0.000 1.117 393 S CA -0.572 57.639 58.200 0.018 0.000 1.104 393 S CB 0.430 63.557 63.200 -0.121 0.000 1.397 393 S HN 0.658 nan 8.310 nan 0.000 0.756 394 Y N -0.196 120.033 120.300 -0.118 0.000 2.463 394 Y HA 0.616 5.166 4.550 -0.000 0.000 0.288 394 Y C -1.081 174.783 175.900 -0.060 0.000 1.041 394 Y CA -0.027 57.914 58.100 -0.266 0.000 1.054 394 Y CB 0.034 38.127 38.460 -0.611 0.000 1.380 394 Y HN 0.551 nan 8.280 nan 0.000 0.581 395 D N 0.371 120.804 120.400 0.054 0.000 6.809 395 D HA -0.008 4.632 4.640 -0.000 0.000 0.235 395 D C -2.742 173.692 176.300 0.224 0.000 1.943 395 D CA 0.151 54.235 54.000 0.140 0.000 1.792 395 D CB 0.041 40.989 40.800 0.248 0.000 0.671 395 D HN 0.081 nan 8.370 nan 0.000 0.355 396 P HA -0.010 nan 4.420 nan 0.000 0.234 396 P C 0.392 177.764 177.300 0.121 0.000 1.167 396 P CA 0.735 63.892 63.100 0.094 0.000 0.763 396 P CB 0.281 31.973 31.700 -0.014 0.000 0.835 397 D N -2.010 118.471 120.400 0.135 0.000 2.389 397 D HA 0.056 4.696 4.640 -0.000 0.000 0.206 397 D C 1.548 177.939 176.300 0.152 0.000 1.055 397 D CA 0.351 54.416 54.000 0.110 0.000 0.856 397 D CB 0.525 41.389 40.800 0.107 0.000 0.957 397 D HN 0.026 nan 8.370 nan 0.000 0.509 398 V N 0.922 120.968 119.914 0.220 0.000 3.263 398 V HA -0.001 4.120 4.120 -0.000 0.000 0.208 398 V C 2.317 178.459 176.094 0.079 0.000 1.184 398 V CA 0.390 62.833 62.300 0.238 0.000 1.341 398 V CB -0.497 31.532 31.823 0.343 0.000 1.238 398 V HN -0.055 nan 8.190 nan 0.000 0.504 399 R N 0.553 120.998 120.500 -0.092 0.000 2.228 399 R HA -0.208 4.132 4.340 -0.000 0.000 0.259 399 R C 0.698 176.790 176.300 -0.347 0.000 1.183 399 R CA 1.604 57.405 56.100 -0.499 0.000 1.002 399 R CB -0.806 28.541 30.300 -1.588 0.000 0.879 399 R HN 0.383 nan 8.270 nan 0.000 0.467 400 I N 2.493 122.970 120.570 -0.155 0.000 2.705 400 I HA -0.033 4.137 4.170 -0.000 0.000 0.291 400 I C -0.211 175.865 176.117 -0.067 0.000 1.146 400 I CA 0.074 61.337 61.300 -0.063 0.000 1.383 400 I CB 0.175 38.197 38.000 0.037 0.000 1.454 400 I HN 0.198 nan 8.210 nan 0.000 0.581 401 I N 6.703 127.221 120.570 -0.087 0.000 3.349 401 I HA -0.106 4.064 4.170 -0.000 0.000 0.324 401 I C 1.049 177.119 176.117 -0.077 0.000 1.103 401 I CA 0.712 61.966 61.300 -0.077 0.000 2.716 401 I CB -1.003 36.977 38.000 -0.033 0.000 1.772 401 I HN 0.458 nan 8.210 nan 0.000 1.271 402 E N 3.942 124.078 120.200 -0.107 0.000 2.055 402 E HA 0.124 4.474 4.350 -0.000 0.000 0.274 402 E C -0.504 175.982 176.600 -0.191 0.000 0.949 402 E CA -0.567 55.755 56.400 -0.130 0.000 0.775 402 E CB 0.554 30.167 29.700 -0.145 0.000 1.097 402 E HN 0.243 nan 8.360 nan 0.000 0.404 403 N N 2.943 121.552 118.700 -0.151 0.000 2.521 403 N HA 0.066 4.806 4.740 -0.000 0.000 0.236 403 N C 0.422 175.951 175.510 0.032 0.000 1.067 403 N CA -0.078 52.882 53.050 -0.150 0.000 0.939 403 N CB 0.277 38.673 38.487 -0.152 0.000 1.201 403 N HN 0.471 nan 8.380 nan 0.000 0.511 404 H N 2.028 121.116 119.070 0.030 0.000 2.330 404 H HA -0.134 4.422 4.556 -0.000 0.000 0.290 404 H C 1.670 177.032 175.328 0.057 0.000 1.111 404 H CA 2.154 58.255 56.048 0.089 0.000 1.226 404 H CB 0.024 29.894 29.762 0.180 0.000 1.355 404 H HN 0.765 nan 8.280 nan 0.000 0.485 405 G N -1.798 107.135 108.800 0.222 0.000 3.031 405 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.198 405 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.198 405 G C -0.120 174.869 174.900 0.148 0.000 1.242 405 G CA 0.311 45.484 45.100 0.121 0.000 0.878 405 G HN 1.065 nan 8.290 nan 0.000 0.493 406 T N -2.109 112.549 114.554 0.173 0.000 2.998 406 T HA 0.168 4.518 4.350 -0.000 0.000 0.408 406 T C -0.500 174.226 174.700 0.042 0.000 1.548 406 T CA 0.514 62.672 62.100 0.098 0.000 0.963 406 T CB 0.386 69.299 68.868 0.074 0.000 1.711 406 T HN 0.956 nan 8.240 nan 0.000 0.460 407 E N 0.828 121.019 120.200 -0.015 0.000 2.422 407 E HA 0.227 4.577 4.350 -0.000 0.000 0.267 407 E C 0.092 176.671 176.600 -0.034 0.000 1.466 407 E CA -0.320 56.072 56.400 -0.014 0.000 1.767 407 E CB -0.403 29.278 29.700 -0.031 0.000 1.471 407 E HN 0.539 nan 8.360 nan 0.000 0.446 408 D N 0.231 120.616 120.400 -0.025 0.000 2.676 408 D HA -0.013 4.627 4.640 -0.000 0.000 0.239 408 D C -0.070 176.214 176.300 -0.027 0.000 1.213 408 D CA -0.011 53.966 54.000 -0.039 0.000 0.835 408 D CB 0.267 41.045 40.800 -0.037 0.000 1.009 408 D HN 0.320 nan 8.370 nan 0.000 0.479 409 E N 0.086 120.276 120.200 -0.016 0.000 2.403 409 E HA 0.177 4.527 4.350 -0.000 0.000 0.188 409 E C -0.110 176.486 176.600 -0.008 0.000 1.056 409 E CA -0.074 56.322 56.400 -0.006 0.000 0.892 409 E CB 0.631 30.334 29.700 0.004 0.000 1.049 409 E HN 0.209 nan 8.360 nan 0.000 0.465 410 L N 1.805 123.015 121.223 -0.022 0.000 2.455 410 L HA 0.413 4.753 4.340 -0.000 0.000 0.264 410 L C -2.474 174.369 176.870 -0.045 0.000 0.968 410 L CA -2.016 52.814 54.840 -0.017 0.000 0.827 410 L CB 2.138 44.188 42.059 -0.015 0.000 1.317 410 L HN -0.061 nan 8.230 nan 0.000 0.407 411 P HA 0.224 nan 4.420 nan 0.000 0.274 411 P C -1.240 175.970 177.300 -0.150 0.000 1.231 411 P CA -0.397 62.641 63.100 -0.103 0.000 0.790 411 P CB 0.676 32.424 31.700 0.080 0.000 0.951 412 N N 0.745 119.218 118.700 -0.378 0.000 2.707 412 N HA 0.242 4.982 4.740 -0.000 0.000 0.249 412 N C -1.400 173.784 175.510 -0.544 0.000 1.299 412 N CA -0.516 52.324 53.050 -0.350 0.000 0.769 412 N CB 0.260 38.577 38.487 -0.283 0.000 1.236 412 N HN 0.291 nan 8.380 nan 0.000 0.524 413 Y N 0.136 120.220 120.300 -0.359 0.000 2.367 413 Y HA 0.275 4.825 4.550 -0.000 0.000 0.342 413 Y C 0.615 175.921 175.900 -0.990 0.000 0.979 413 Y CA -1.177 56.639 58.100 -0.473 0.000 1.161 413 Y CB 0.761 39.080 38.460 -0.237 0.000 1.155 413 Y HN 0.404 nan 8.280 nan 0.000 0.503 414 C N 6.028 124.976 119.300 -0.586 0.000 2.531 414 C HA 0.037 4.497 4.460 -0.000 0.000 0.401 414 C C 0.192 174.931 174.990 -0.419 0.000 1.473 414 C CA -0.431 58.263 59.018 -0.541 0.000 1.472 414 C CB -2.396 25.186 27.740 -0.263 0.000 2.429 414 C HN 0.584 nan 8.230 nan 0.000 0.620 415 F N 5.672 125.612 119.950 -0.016 0.000 2.399 415 F HA 0.455 4.982 4.527 -0.000 0.000 0.334 415 F C -0.632 175.161 175.800 -0.011 0.000 1.097 415 F CA -1.613 56.381 58.000 -0.010 0.000 1.076 415 F CB 0.290 39.283 39.000 -0.013 0.000 1.162 415 F HN 0.483 nan 8.300 nan 0.000 0.495 416 P HA 0.282 nan 4.420 nan 0.000 0.318 416 P C 0.399 177.686 177.300 -0.021 0.000 1.387 416 P CA -0.089 63.040 63.100 0.048 0.000 0.865 416 P CB 0.311 32.031 31.700 0.032 0.000 2.164 417 L N -4.797 116.347 121.223 -0.132 0.000 2.609 417 L HA 0.666 5.006 4.340 -0.000 0.000 0.230 417 L C 0.891 177.622 176.870 -0.232 0.000 1.064 417 L CA 0.511 55.197 54.840 -0.257 0.000 0.873 417 L CB -0.746 40.955 42.059 -0.598 0.000 1.139 417 L HN 0.535 nan 8.230 nan 0.000 0.490 418 G N -0.781 107.910 108.800 -0.182 0.000 2.459 418 G HA2 0.419 4.379 3.960 -0.000 0.000 0.273 418 G HA3 0.419 4.379 3.960 -0.000 0.000 0.273 418 G C -0.251 174.583 174.900 -0.110 0.000 1.070 418 G CA -0.444 44.593 45.100 -0.104 0.000 1.287 418 G HN 0.750 nan 8.290 nan 0.000 0.642 419 G N -1.965 106.790 108.800 -0.075 0.000 2.427 419 G HA2 0.819 4.779 3.960 -0.000 0.000 0.306 419 G HA3 0.819 4.779 3.960 -0.000 0.000 0.306 419 G C -1.531 173.357 174.900 -0.021 0.000 1.280 419 G CA 0.287 45.359 45.100 -0.047 0.000 0.837 419 G HN 1.683 nan 8.290 nan 0.000 0.482 420 V N 0.418 120.324 119.914 -0.013 0.000 2.766 420 V HA 0.309 4.429 4.120 -0.000 0.000 0.286 420 V C 0.006 176.098 176.094 -0.004 0.000 1.237 420 V CA -0.138 62.155 62.300 -0.011 0.000 0.934 420 V CB 1.330 33.152 31.823 -0.002 0.000 1.068 420 V HN 1.123 nan 8.190 nan 0.000 0.451 421 I N 4.857 125.420 120.570 -0.012 0.000 3.228 421 I HA 0.263 4.433 4.170 -0.000 0.000 0.279 421 I C 1.249 177.365 176.117 -0.002 0.000 1.221 421 I CA 0.936 62.236 61.300 0.001 0.000 1.458 421 I CB 0.123 38.124 38.000 0.001 0.000 1.105 421 I HN 0.665 nan 8.210 nan 0.000 0.445 422 N N 2.971 121.661 118.700 -0.015 0.000 2.991 422 N HA -0.043 4.697 4.740 -0.000 0.000 0.324 422 N C 0.102 175.609 175.510 -0.005 0.000 1.208 422 N CA 0.711 53.752 53.050 -0.015 0.000 1.190 422 N CB -1.150 37.321 38.487 -0.028 0.000 1.443 422 N HN 0.471 nan 8.380 nan 0.000 0.542 423 T N -0.531 114.025 114.554 0.004 0.000 2.903 423 T HA -0.087 4.263 4.350 -0.000 0.000 0.299 423 T C 0.097 174.801 174.700 0.006 0.000 1.041 423 T CA 0.211 62.317 62.100 0.009 0.000 1.138 423 T CB 0.590 69.469 68.868 0.018 0.000 1.040 423 T HN 0.314 nan 8.240 nan 0.000 0.524 424 E N 3.061 123.265 120.200 0.007 0.000 2.761 424 E HA 0.138 4.488 4.350 -0.000 0.000 0.266 424 E C -0.605 176.000 176.600 0.008 0.000 1.097 424 E CA -0.699 55.703 56.400 0.005 0.000 0.773 424 E CB 1.046 30.746 29.700 0.001 0.000 1.453 424 E HN 0.766 nan 8.360 nan 0.000 0.388 425 T N 3.114 117.674 114.554 0.011 0.000 2.758 425 T HA 0.088 4.438 4.350 -0.000 0.000 0.281 425 T C 0.405 175.113 174.700 0.013 0.000 0.963 425 T CA 0.437 62.545 62.100 0.014 0.000 1.201 425 T CB 0.049 68.928 68.868 0.017 0.000 0.906 425 T HN 0.267 nan 8.240 nan 0.000 0.528 426 L N 3.522 124.753 121.223 0.014 0.000 2.365 426 L HA 0.394 4.734 4.340 -0.000 0.000 0.273 426 L C 1.590 178.471 176.870 0.019 0.000 1.000 426 L CA -1.056 53.793 54.840 0.014 0.000 0.819 426 L CB 2.053 44.117 42.059 0.010 0.000 1.284 426 L HN 0.753 nan 8.230 nan 0.000 0.418 427 T N 0.532 115.101 114.554 0.026 0.000 5.825 427 T HA 0.212 4.562 4.350 -0.000 0.000 0.383 427 T C 0.160 174.885 174.700 0.041 0.000 0.920 427 T CA 0.042 62.164 62.100 0.037 0.000 0.947 427 T CB 0.405 69.300 68.868 0.045 0.000 1.292 427 T HN 0.539 nan 8.240 nan 0.000 0.356 428 K N -1.151 119.287 120.400 0.063 0.000 2.575 428 K HA 0.733 5.053 4.320 -0.000 0.000 0.279 428 K C -1.666 174.994 176.600 0.101 0.000 0.969 428 K CA -0.852 55.485 56.287 0.084 0.000 0.868 428 K CB 2.675 35.256 32.500 0.136 0.000 1.457 428 K HN 0.419 nan 8.250 nan 0.000 0.426 429 V N 0.546 120.529 119.914 0.115 0.000 3.221 429 V HA 0.372 4.492 4.120 -0.000 0.000 0.299 429 V C -1.517 174.645 176.094 0.113 0.000 1.594 429 V CA -0.897 61.470 62.300 0.112 0.000 1.036 429 V CB 2.669 34.560 31.823 0.114 0.000 1.107 429 V HN 0.738 nan 8.190 nan 0.000 0.476 430 K N 0.781 121.235 120.400 0.091 0.000 2.372 430 K HA 0.726 5.046 4.320 -0.000 0.000 0.251 430 K C -2.260 174.361 176.600 0.035 0.000 1.055 430 K CA -1.348 54.977 56.287 0.063 0.000 0.879 430 K CB 2.240 34.765 32.500 0.041 0.000 1.384 430 K HN 0.372 nan 8.250 nan 0.000 0.465 431 P HA 0.033 nan 4.420 nan 0.000 0.251 431 P C -1.371 175.841 177.300 -0.147 0.000 1.198 431 P CA 0.296 63.344 63.100 -0.088 0.000 0.847 431 P CB 0.125 31.780 31.700 -0.075 0.000 1.082 432 K N -0.199 120.148 120.400 -0.088 0.000 6.744 432 K HA -0.150 4.170 4.320 -0.000 0.000 0.720 432 K C -0.999 175.529 176.600 -0.122 0.000 2.325 432 K CA 1.133 57.365 56.287 -0.091 0.000 1.691 432 K CB -1.962 30.483 32.500 -0.090 0.000 1.863 432 K HN 0.279 nan 8.250 nan 0.000 0.302 433 T N 1.315 115.816 114.554 -0.089 0.000 2.671 433 T HA 0.691 5.041 4.350 -0.000 0.000 0.287 433 T C 0.391 175.054 174.700 -0.062 0.000 1.630 433 T CA 0.606 62.651 62.100 -0.091 0.000 1.001 433 T CB 0.498 69.300 68.868 -0.110 0.000 1.970 433 T HN 1.275 nan 8.240 nan 0.000 0.437 434 G N -0.560 108.205 108.800 -0.057 0.000 3.827 434 G HA2 0.089 4.049 3.960 -0.000 0.000 0.218 434 G HA3 0.089 4.049 3.960 -0.000 0.000 0.218 434 G C 0.581 175.457 174.900 -0.040 0.000 0.892 434 G CA 1.018 46.093 45.100 -0.042 0.000 0.857 434 G HN 0.706 nan 8.290 nan 0.000 0.508 435 Q N -0.373 119.398 119.800 -0.049 0.000 2.477 435 Q HA 0.316 4.656 4.340 -0.000 0.000 0.197 435 Q C 0.930 176.898 176.000 -0.053 0.000 0.706 435 Q CA 0.688 56.465 55.803 -0.043 0.000 0.900 435 Q CB 0.861 29.577 28.738 -0.036 0.000 1.285 435 Q HN 0.567 nan 8.270 nan 0.000 0.504 436 E N 0.774 120.929 120.200 -0.075 0.000 2.490 436 E HA 0.325 4.675 4.350 -0.000 0.000 0.176 436 E C -0.461 176.035 176.600 -0.172 0.000 0.781 436 E CA -1.063 55.282 56.400 -0.092 0.000 0.911 436 E CB 0.053 29.715 29.700 -0.063 0.000 2.014 436 E HN -0.172 nan 8.360 nan 0.000 0.388 437 N N -0.073 118.500 118.700 -0.212 0.000 1.935 437 N HA -0.183 4.557 4.740 -0.000 0.000 0.273 437 N C 0.120 175.183 175.510 -0.745 0.000 1.281 437 N CA 1.583 54.356 53.050 -0.461 0.000 0.870 437 N CB -0.236 38.036 38.487 -0.359 0.000 0.979 437 N HN 0.702 nan 8.380 nan 0.000 0.518 438 G N -1.762 106.092 108.800 -1.577 0.000 3.433 438 G HA2 0.448 4.408 3.960 -0.000 0.000 0.173 438 G HA3 0.448 4.408 3.960 -0.000 0.000 0.173 438 G C -1.467 172.750 174.900 -1.139 0.000 1.196 438 G CA 0.161 44.560 45.100 -1.169 0.000 1.062 438 G HN 0.784 nan 8.290 nan 0.000 0.699 439 W N 0.598 121.905 121.300 0.012 0.000 4.116 439 W HA 0.014 4.675 4.660 -0.000 0.000 0.438 439 W C -0.218 176.309 176.519 0.014 0.000 1.762 439 W CA 0.314 57.667 57.345 0.013 0.000 0.690 439 W CB -1.966 27.500 29.460 0.010 0.000 2.907 439 W HN 0.839 nan 8.180 nan 0.000 0.846 440 E N 1.385 121.671 120.200 0.143 0.000 2.388 440 E HA 0.327 4.677 4.350 -0.000 0.000 0.289 440 E C 0.092 176.735 176.600 0.072 0.000 0.944 440 E CA -1.377 55.075 56.400 0.086 0.000 0.792 440 E CB 1.145 30.866 29.700 0.034 0.000 1.239 440 E HN 0.190 nan 8.360 nan 0.000 0.412 441 K N 3.150 123.591 120.400 0.068 0.000 2.440 441 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 441 K C -0.547 176.081 176.600 0.048 0.000 0.980 441 K CA -0.031 56.295 56.287 0.064 0.000 0.953 441 K CB 0.433 32.967 32.500 0.056 0.000 0.925 441 K HN 0.566 nan 8.250 nan 0.000 0.497 442 D N -0.975 119.462 120.400 0.062 0.000 2.781 442 D HA 0.543 5.183 4.640 -0.000 0.000 0.295 442 D C -1.040 175.233 176.300 -0.045 0.000 1.143 442 D CA -0.568 53.441 54.000 0.015 0.000 1.076 442 D CB 1.630 42.456 40.800 0.043 0.000 1.444 442 D HN 0.593 nan 8.370 nan 0.000 0.567 447 S N -0.196 115.671 115.700 0.278 0.000 2.719 447 S HA 0.445 4.915 4.470 -0.000 0.000 0.285 447 S C -0.258 174.408 174.600 0.109 0.000 1.137 447 S CA 0.092 58.373 58.200 0.134 0.000 1.012 447 S CB 1.712 64.964 63.200 0.086 0.000 1.134 447 S HN 0.509 nan 8.310 nan 0.000 0.544 448 D N -0.200 120.242 120.400 0.071 0.000 3.105 448 D HA 0.361 5.001 4.640 -0.000 0.000 0.291 448 D C -0.469 175.859 176.300 0.046 0.000 1.218 448 D CA 0.734 54.768 54.000 0.058 0.000 1.029 448 D CB 0.232 41.059 40.800 0.045 0.000 1.207 448 D HN 0.458 nan 8.370 nan 0.000 0.437 449 K N 0.953 121.376 120.400 0.038 0.000 2.274 449 K HA 0.425 4.745 4.320 -0.000 0.000 0.262 449 K C -1.078 175.539 176.600 0.028 0.000 0.961 449 K CA -0.419 55.887 56.287 0.031 0.000 0.833 449 K CB 1.379 33.897 32.500 0.029 0.000 1.102 449 K HN -0.092 nan 8.250 nan 0.000 0.436 450 N N 3.460 122.173 118.700 0.022 0.000 3.112 450 N HA 0.054 4.794 4.740 -0.000 0.000 0.270 450 N C -1.157 174.364 175.510 0.019 0.000 1.385 450 N CA -0.429 52.631 53.050 0.016 0.000 0.986 450 N CB 0.962 39.452 38.487 0.004 0.000 1.261 450 N HN 0.547 nan 8.380 nan 0.000 0.495 451 E N 0.836 121.051 120.200 0.025 0.000 2.026 451 E HA 0.008 4.358 4.350 -0.000 0.000 0.249 451 E C 0.595 177.210 176.600 0.025 0.000 1.273 451 E CA 0.157 56.572 56.400 0.025 0.000 0.991 451 E CB -0.144 29.574 29.700 0.031 0.000 1.076 451 E HN 0.440 nan 8.360 nan 0.000 0.438 452 I N 1.588 122.168 120.570 0.018 0.000 5.955 452 I HA 0.326 4.496 4.170 -0.000 0.000 0.214 452 I C 0.688 176.812 176.117 0.011 0.000 0.896 452 I CA -0.495 60.814 61.300 0.016 0.000 1.593 452 I CB 0.043 38.049 38.000 0.011 0.000 1.367 452 I HN 0.400 nan 8.210 nan 0.000 0.446 453 R N -0.996 119.507 120.500 0.006 0.000 3.321 453 R HA 0.503 4.843 4.340 -0.000 0.000 0.271 453 R C -2.422 173.877 176.300 -0.001 0.000 0.994 453 R CA -0.544 55.556 56.100 0.000 0.000 0.920 453 R CB 0.577 30.875 30.300 -0.003 0.000 1.271 453 R HN 0.135 nan 8.270 nan 0.000 0.531 454 V N 3.006 122.917 119.914 -0.005 0.000 2.581 454 V HA 0.899 5.019 4.120 -0.000 0.000 0.303 454 V C 0.689 176.780 176.094 -0.005 0.000 1.041 454 V CA 0.988 63.286 62.300 -0.004 0.000 0.907 454 V CB 1.322 33.142 31.823 -0.005 0.000 0.994 454 V HN 1.094 nan 8.190 nan 0.000 0.442 455 G N 4.768 113.568 108.800 0.000 0.000 1.838 455 G HA2 0.034 3.994 3.960 -0.000 0.000 0.067 455 G HA3 0.034 3.994 3.960 -0.000 0.000 0.067 455 G C -0.552 174.359 174.900 0.018 0.000 1.666 455 G CA 0.445 45.547 45.100 0.003 0.000 1.135 455 G HN 0.912 nan 8.290 nan 0.000 0.333 456 N N -0.541 118.176 118.700 0.029 0.000 3.533 456 N HA 0.271 5.011 4.740 -0.000 0.000 0.229 456 N C -1.004 174.555 175.510 0.081 0.000 1.418 456 N CA -0.337 52.747 53.050 0.057 0.000 0.880 456 N CB 0.859 39.398 38.487 0.087 0.000 1.415 456 N HN 0.450 nan 8.380 nan 0.000 0.491 457 N N -0.230 118.529 118.700 0.099 0.000 2.452 457 N HA 0.497 5.237 4.740 -0.000 0.000 0.296 457 N C -0.983 174.691 175.510 0.273 0.000 1.304 457 N CA 0.241 53.367 53.050 0.126 0.000 0.956 457 N CB 0.493 39.028 38.487 0.080 0.000 1.106 457 N HN 0.339 nan 8.380 nan 0.000 0.555 458 F N -1.314 118.655 119.950 0.032 0.000 2.789 458 F HA 0.642 5.169 4.527 -0.000 0.000 0.319 458 F C -1.468 174.385 175.800 0.088 0.000 1.168 458 F CA -0.378 57.648 58.000 0.043 0.000 0.934 458 F CB 1.236 40.249 39.000 0.021 0.000 1.375 458 F HN 0.539 nan 8.300 nan 0.000 0.480 459 A N 2.388 124.645 122.820 -0.938 0.000 2.541 459 A HA 0.488 4.808 4.320 -0.000 0.000 0.312 459 A C -0.990 176.025 177.584 -0.948 0.000 1.025 459 A CA -0.507 51.150 52.037 -0.632 0.000 0.887 459 A CB 0.349 19.213 19.000 -0.226 0.000 1.189 459 A HN 0.673 nan 8.150 nan 0.000 0.377 460 M N 0.798 120.108 119.600 -0.484 0.000 2.065 460 M HA 0.373 4.853 4.480 -0.000 0.000 0.224 460 M C 1.063 177.208 176.300 -0.258 0.000 1.263 460 M CA 1.105 56.235 55.300 -0.284 0.000 1.088 460 M CB -0.118 32.423 32.600 -0.097 0.000 1.054 460 M HN 0.903 nan 8.290 nan 0.000 0.439 461 E N -2.122 117.918 120.200 -0.266 0.000 5.632 461 E HA 0.068 4.418 4.350 -0.000 0.000 0.520 461 E C -1.158 175.283 176.600 -0.265 0.000 2.369 461 E CA 0.214 56.417 56.400 -0.329 0.000 2.889 461 E CB -0.008 29.463 29.700 -0.382 0.000 0.803 461 E HN 0.324 nan 8.360 nan 0.000 0.386 462 I N -0.248 120.169 120.570 -0.255 0.000 1.556 462 I HA 0.020 4.190 4.170 -0.000 0.000 0.310 462 I C -1.830 174.184 176.117 -0.171 0.000 3.207 462 I CA 0.179 61.364 61.300 -0.191 0.000 1.061 462 I CB -0.628 37.266 38.000 -0.177 0.000 2.591 462 I HN 0.468 nan 8.210 nan 0.000 0.697 463 N N 1.233 119.846 118.700 -0.145 0.000 2.594 463 N HA 0.543 5.283 4.740 -0.000 0.000 0.280 463 N C 0.137 175.563 175.510 -0.140 0.000 1.156 463 N CA -0.302 52.670 53.050 -0.131 0.000 0.831 463 N CB 0.824 39.257 38.487 -0.091 0.000 1.379 463 N HN 0.553 nan 8.380 nan 0.000 0.536 464 L N 2.241 123.373 121.223 -0.151 0.000 1.958 464 L HA -0.109 4.231 4.340 -0.000 0.000 0.238 464 L C 0.802 177.567 176.870 -0.176 0.000 1.092 464 L CA 1.610 56.358 54.840 -0.153 0.000 0.826 464 L CB -1.414 40.562 42.059 -0.139 0.000 0.909 464 L HN 0.468 nan 8.230 nan 0.000 0.436 465 N N 1.545 120.133 118.700 -0.188 0.000 3.103 465 N HA 0.372 5.112 4.740 -0.000 0.000 0.305 465 N C 0.288 175.630 175.510 -0.279 0.000 1.232 465 N CA 0.791 53.684 53.050 -0.261 0.000 1.190 465 N CB 0.338 38.680 38.487 -0.242 0.000 1.461 465 N HN 0.647 nan 8.380 nan 0.000 0.538 466 A N 0.784 123.445 122.820 -0.266 0.000 2.378 466 A HA 0.135 4.455 4.320 -0.000 0.000 0.213 466 A C 0.350 177.847 177.584 -0.144 0.000 1.712 466 A CA -0.417 51.506 52.037 -0.189 0.000 1.308 466 A CB -0.052 18.899 19.000 -0.082 0.000 1.006 466 A HN 0.220 nan 8.150 nan 0.000 0.466 467 N N -0.426 118.154 118.700 -0.200 0.000 2.171 467 N HA 0.308 5.048 4.740 -0.000 0.000 0.212 467 N C 1.156 176.572 175.510 -0.158 0.000 1.184 467 N CA -0.000 52.977 53.050 -0.120 0.000 0.888 467 N CB 0.300 38.725 38.487 -0.104 0.000 1.038 467 N HN 0.449 nan 8.380 nan 0.000 0.517 468 L N -1.281 119.718 121.223 -0.373 0.000 2.131 468 L HA 0.045 4.385 4.340 -0.000 0.000 0.206 468 L C 1.035 177.711 176.870 -0.322 0.000 1.087 468 L CA 1.034 55.552 54.840 -0.537 0.000 0.767 468 L CB -0.047 41.337 42.059 -1.124 0.000 0.917 468 L HN 0.348 nan 8.230 nan 0.000 0.441 469 W N -1.040 120.269 121.300 0.015 0.000 3.047 469 W HA 0.018 4.678 4.660 -0.000 0.000 0.250 469 W C 2.527 179.083 176.519 0.061 0.000 1.314 469 W CA -0.643 56.737 57.345 0.058 0.000 1.540 469 W CB 0.130 29.595 29.460 0.007 0.000 1.127 469 W HN -0.004 nan 8.180 nan 0.000 0.679 470 R N 0.753 121.387 120.500 0.223 0.000 2.127 470 R HA -0.059 4.281 4.340 -0.000 0.000 0.217 470 R C 1.491 177.930 176.300 0.231 0.000 1.074 470 R CA 1.113 57.312 56.100 0.166 0.000 0.991 470 R CB -0.228 30.120 30.300 0.079 0.000 0.895 470 R HN 0.234 nan 8.270 nan 0.000 0.450 471 N N -0.180 118.650 118.700 0.216 0.000 2.308 471 N HA -0.085 4.655 4.740 -0.000 0.000 0.224 471 N C 1.446 177.143 175.510 0.312 0.000 1.024 471 N CA 0.843 54.028 53.050 0.225 0.000 1.118 471 N CB -0.753 37.824 38.487 0.150 0.000 1.399 471 N HN -0.118 nan 8.380 nan 0.000 0.594 472 F N 0.947 120.963 119.950 0.110 0.000 2.158 472 F HA -0.208 4.319 4.527 -0.000 0.000 0.299 472 F C 2.067 178.111 175.800 0.405 0.000 1.060 472 F CA 1.116 59.254 58.000 0.229 0.000 1.284 472 F CB -0.362 38.758 39.000 0.200 0.000 1.035 472 F HN 0.197 nan 8.300 nan 0.000 0.496 473 L N -2.315 119.310 121.223 0.670 0.000 2.013 473 L HA -0.231 4.109 4.340 -0.000 0.000 0.204 473 L C 2.274 179.308 176.870 0.274 0.000 1.081 473 L CA 1.349 56.439 54.840 0.415 0.000 0.751 473 L CB -0.904 41.383 42.059 0.379 0.000 0.901 473 L HN 0.057 nan 8.230 nan 0.000 0.440 474 Y N 0.514 120.907 120.300 0.156 0.000 2.070 474 Y HA -0.277 4.273 4.550 -0.000 0.000 0.279 474 Y C 2.895 178.813 175.900 0.031 0.000 1.134 474 Y CA 1.265 59.413 58.100 0.081 0.000 1.113 474 Y CB -0.768 37.733 38.460 0.070 0.000 0.981 474 Y HN 0.299 nan 8.280 nan 0.000 0.487 475 S N 0.260 115.952 115.700 -0.013 0.000 2.555 475 S HA -0.386 4.084 4.470 -0.000 0.000 0.267 475 S C 1.986 176.460 174.600 -0.210 0.000 1.109 475 S CA 1.952 60.068 58.200 -0.141 0.000 1.578 475 S CB -1.349 61.822 63.200 -0.049 0.000 1.234 475 S HN 0.725 nan 8.310 nan 0.000 0.413 476 N N 0.626 119.204 118.700 -0.204 0.000 2.055 476 N HA -0.182 4.558 4.740 -0.000 0.000 0.200 476 N C 1.367 176.910 175.510 0.055 0.000 1.037 476 N CA 2.090 55.067 53.050 -0.121 0.000 0.881 476 N CB -0.516 37.761 38.487 -0.351 0.000 1.075 476 N HN 0.363 nan 8.380 nan 0.000 0.470 477 I N 0.043 120.642 120.570 0.048 0.000 3.080 477 I HA 0.001 4.171 4.170 -0.000 0.000 0.183 477 I C 1.767 177.850 176.117 -0.057 0.000 1.432 477 I CA 0.865 62.230 61.300 0.108 0.000 0.614 477 I CB -0.465 37.604 38.000 0.114 0.000 1.876 477 I HN 0.384 nan 8.210 nan 0.000 0.995 478 A N 0.005 122.831 122.820 0.010 0.000 2.821 478 A HA -0.398 3.922 4.320 -0.000 0.000 0.370 478 A C 1.956 179.398 177.584 -0.236 0.000 1.684 478 A CA 2.769 54.792 52.037 -0.024 0.000 0.999 478 A CB -2.139 16.923 19.000 0.104 0.000 1.490 478 A HN 0.855 nan 8.150 nan 0.000 0.672 479 L N -1.767 119.049 121.223 -0.679 0.000 2.251 479 L HA -0.271 4.069 4.340 -0.000 0.000 0.226 479 L C 1.232 177.792 176.870 -0.517 0.000 1.103 479 L CA 2.443 56.838 54.840 -0.741 0.000 0.827 479 L CB -0.321 41.191 42.059 -0.912 0.000 0.907 479 L HN 0.630 nan 8.230 nan 0.000 0.449 480 Y N 0.409 120.631 120.300 -0.130 0.000 2.539 480 Y HA 0.431 4.981 4.550 -0.000 0.000 0.352 480 Y C 0.322 176.203 175.900 -0.032 0.000 1.004 480 Y CA -0.377 57.684 58.100 -0.065 0.000 1.278 480 Y CB 0.303 38.737 38.460 -0.043 0.000 1.136 480 Y HN 0.084 nan 8.280 nan 0.000 0.528 481 L N 4.028 125.303 121.223 0.086 0.000 2.656 481 L HA 0.583 4.923 4.340 -0.000 0.000 0.252 481 L C -2.299 174.604 176.870 0.054 0.000 1.129 481 L CA -2.178 52.700 54.840 0.064 0.000 0.962 481 L CB 2.146 44.220 42.059 0.025 0.000 1.565 481 L HN 0.353 nan 8.230 nan 0.000 0.389 482 P HA 0.315 nan 4.420 nan 0.000 0.283 482 P C -0.789 176.511 177.300 0.001 0.000 1.278 482 P CA -0.335 62.787 63.100 0.038 0.000 0.834 482 P CB 1.035 32.766 31.700 0.052 0.000 1.150 483 D N -1.013 119.396 120.400 0.016 0.000 2.349 483 D HA -0.050 4.590 4.640 -0.000 0.000 0.215 483 D C 1.370 177.681 176.300 0.018 0.000 1.016 483 D CA 0.602 54.600 54.000 -0.003 0.000 0.870 483 D CB 0.262 41.102 40.800 0.067 0.000 0.917 483 D HN 0.449 nan 8.370 nan 0.000 0.524 484 K N -0.283 120.134 120.400 0.029 0.000 2.354 484 K HA 0.088 4.408 4.320 -0.000 0.000 0.194 484 K C 0.683 177.301 176.600 0.030 0.000 1.045 484 K CA 0.097 56.406 56.287 0.035 0.000 1.026 484 K CB 0.470 32.990 32.500 0.034 0.000 0.866 484 K HN 0.082 nan 8.250 nan 0.000 0.530 485 L N 1.640 122.875 121.223 0.019 0.000 2.960 485 L HA 0.378 4.718 4.340 -0.000 0.000 0.274 485 L C -0.321 176.531 176.870 -0.030 0.000 1.327 485 L CA -0.343 54.511 54.840 0.023 0.000 0.860 485 L CB 0.708 42.789 42.059 0.038 0.000 1.239 485 L HN 0.090 nan 8.230 nan 0.000 0.551 486 K N 0.270 120.627 120.400 -0.071 0.000 2.175 486 K HA 0.646 4.966 4.320 -0.000 0.000 0.257 486 K C -1.880 174.626 176.600 -0.156 0.000 1.026 486 K CA -0.710 55.422 56.287 -0.258 0.000 0.866 486 K CB 2.891 35.248 32.500 -0.237 0.000 1.474 486 K HN -0.035 nan 8.250 nan 0.000 0.442 487 Y N -2.856 117.402 120.300 -0.070 0.000 2.583 487 Y HA 0.330 4.880 4.550 -0.000 0.000 0.330 487 Y C -1.305 174.548 175.900 -0.077 0.000 1.185 487 Y CA -1.087 56.976 58.100 -0.062 0.000 1.107 487 Y CB 0.570 39.006 38.460 -0.040 0.000 1.344 487 Y HN 0.222 nan 8.280 nan 0.000 0.463 488 S N 4.465 120.273 115.700 0.180 0.000 2.405 488 S HA 0.424 4.894 4.470 -0.000 0.000 0.291 488 S C -2.430 172.231 174.600 0.102 0.000 1.137 488 S CA -0.803 57.454 58.200 0.095 0.000 1.061 488 S CB -0.262 62.978 63.200 0.067 0.000 1.001 488 S HN 0.409 nan 8.310 nan 0.000 0.507 489 P HA 0.112 nan 4.420 nan 0.000 0.267 489 P C -0.149 177.168 177.300 0.028 0.000 1.209 489 P CA -0.090 63.047 63.100 0.062 0.000 0.763 489 P CB 0.465 32.202 31.700 0.063 0.000 0.816 490 S N 3.375 119.082 115.700 0.012 0.000 2.549 490 S HA 0.083 4.553 4.470 -0.000 0.000 0.286 490 S C 0.948 175.554 174.600 0.010 0.000 1.314 490 S CA 0.299 58.504 58.200 0.009 0.000 1.062 490 S CB -0.410 62.790 63.200 0.001 0.000 0.865 490 S HN 0.639 nan 8.310 nan 0.000 0.498 491 N N 0.725 119.429 118.700 0.006 0.000 3.477 491 N HA -0.223 4.517 4.740 -0.000 0.000 0.231 491 N C -0.542 174.967 175.510 -0.001 0.000 0.193 491 N CA 1.309 54.358 53.050 -0.002 0.000 3.689 491 N CB -1.602 36.877 38.487 -0.013 0.000 1.177 491 N HN 0.627 nan 8.380 nan 0.000 0.240 492 V N 3.758 123.668 119.914 -0.006 0.000 3.205 492 V HA -0.230 3.890 4.120 -0.000 0.000 0.275 492 V C 0.534 176.631 176.094 0.006 0.000 1.469 492 V CA 1.321 63.618 62.300 -0.004 0.000 1.464 492 V CB -0.915 30.907 31.823 -0.002 0.000 0.804 492 V HN 0.463 nan 8.190 nan 0.000 0.417 493 K N 4.951 125.354 120.400 0.005 0.000 2.338 493 K HA 0.606 4.926 4.320 -0.000 0.000 0.290 493 K C -0.300 176.311 176.600 0.017 0.000 1.069 493 K CA -0.200 56.094 56.287 0.012 0.000 0.941 493 K CB 1.061 33.566 32.500 0.009 0.000 1.023 493 K HN 0.469 nan 8.250 nan 0.000 0.477 494 I N 0.231 120.817 120.570 0.027 0.000 2.273 494 I HA 0.407 4.577 4.170 -0.000 0.000 0.274 494 I C -1.024 175.124 176.117 0.051 0.000 0.416 494 I CA -0.403 60.918 61.300 0.034 0.000 3.271 494 I CB 1.062 39.082 38.000 0.033 0.000 1.537 494 I HN 0.572 nan 8.210 nan 0.000 0.545 495 S N -0.134 115.616 115.700 0.083 0.000 2.547 495 S HA 0.416 4.886 4.470 -0.000 0.000 0.270 495 S C -0.955 173.730 174.600 0.141 0.000 1.150 495 S CA -0.315 57.942 58.200 0.094 0.000 0.850 495 S CB 0.840 64.097 63.200 0.095 0.000 1.118 495 S HN 0.529 nan 8.310 nan 0.000 0.461 496 D N 1.888 122.320 120.400 0.053 0.000 2.267 496 D HA 0.052 4.692 4.640 -0.000 0.000 0.258 496 D C -0.310 175.859 176.300 -0.217 0.000 1.207 496 D CA -0.081 53.905 54.000 -0.024 0.000 0.954 496 D CB -1.117 39.652 40.800 -0.052 0.000 0.975 496 D HN 0.716 nan 8.370 nan 0.000 0.371 497 N N 2.490 121.064 118.700 -0.211 0.000 2.952 497 N HA -0.127 4.613 4.740 -0.000 0.000 0.299 497 N C -1.748 173.428 175.510 -0.556 0.000 1.506 497 N CA -0.042 52.859 53.050 -0.249 0.000 1.728 497 N CB 0.885 39.321 38.487 -0.086 0.000 0.918 497 N HN 0.243 nan 8.380 nan 0.000 0.612 498 P HA -0.180 nan 4.420 nan 0.000 0.208 498 P C 0.323 177.526 177.300 -0.162 0.000 1.195 498 P CA 1.383 64.192 63.100 -0.485 0.000 0.927 498 P CB 0.120 31.673 31.700 -0.245 0.000 0.778 499 N N 0.096 118.757 118.700 -0.065 0.000 3.194 499 N HA 0.114 4.854 4.740 -0.000 0.000 0.271 499 N C -0.573 174.957 175.510 0.033 0.000 1.308 499 N CA 0.136 53.200 53.050 0.024 0.000 1.042 499 N CB 0.039 38.519 38.487 -0.012 0.000 1.310 499 N HN 0.053 nan 8.380 nan 0.000 0.502 500 T N 0.013 114.628 114.554 0.101 0.000 2.718 500 T HA 0.213 4.563 4.350 -0.000 0.000 0.267 500 T C 0.351 175.175 174.700 0.207 0.000 0.957 500 T CA -0.275 61.901 62.100 0.125 0.000 1.025 500 T CB 0.656 69.587 68.868 0.104 0.000 1.355 500 T HN 0.249 nan 8.240 nan 0.000 0.572 501 Y N 0.031 120.365 120.300 0.056 0.000 2.476 501 Y HA 0.311 4.861 4.550 -0.000 0.000 0.283 501 Y C 1.578 177.515 175.900 0.061 0.000 1.109 501 Y CA 1.074 59.203 58.100 0.049 0.000 1.246 501 Y CB 0.177 38.660 38.460 0.038 0.000 1.068 501 Y HN 0.610 nan 8.280 nan 0.000 0.552 502 D N -2.048 118.367 120.400 0.025 0.000 2.417 502 D HA -0.010 4.630 4.640 -0.000 0.000 0.207 502 D C 1.199 177.530 176.300 0.052 0.000 1.075 502 D CA 0.206 54.178 54.000 -0.046 0.000 0.851 502 D CB 0.114 40.920 40.800 0.010 0.000 0.976 502 D HN 0.232 nan 8.370 nan 0.000 0.505 503 Y N 1.334 121.620 120.300 -0.024 0.000 2.174 503 Y HA -0.083 4.467 4.550 -0.000 0.000 0.273 503 Y C 1.864 177.749 175.900 -0.024 0.000 1.087 503 Y CA 1.447 59.538 58.100 -0.014 0.000 1.078 503 Y CB -0.447 38.013 38.460 0.000 0.000 1.010 503 Y HN -0.164 nan 8.280 nan 0.000 0.478 504 M N 0.936 120.501 119.600 -0.058 0.000 2.218 504 M HA -0.200 4.280 4.480 -0.000 0.000 0.262 504 M C 1.813 178.032 176.300 -0.135 0.000 1.081 504 M CA 2.426 57.634 55.300 -0.153 0.000 1.100 504 M CB -1.530 31.070 32.600 -0.001 0.000 1.258 504 M HN 0.401 nan 8.290 nan 0.000 0.438 505 N N 0.582 119.241 118.700 -0.069 0.000 2.387 505 N HA -0.230 4.510 4.740 -0.000 0.000 0.197 505 N C 1.263 176.720 175.510 -0.088 0.000 1.001 505 N CA 1.443 54.451 53.050 -0.071 0.000 0.906 505 N CB -0.364 38.090 38.487 -0.055 0.000 0.961 505 N HN 0.477 nan 8.380 nan 0.000 0.452 506 K N 0.898 121.229 120.400 -0.114 0.000 2.139 506 K HA 0.075 4.395 4.320 -0.000 0.000 0.217 506 K C 0.239 176.740 176.600 -0.164 0.000 1.025 506 K CA -0.078 56.140 56.287 -0.114 0.000 0.947 506 K CB -0.259 32.190 32.500 -0.085 0.000 0.897 506 K HN 0.120 nan 8.250 nan 0.000 0.457 507 R N 2.531 122.930 120.500 -0.169 0.000 3.097 507 R HA -0.107 4.233 4.340 -0.000 0.000 0.253 507 R C 0.979 177.125 176.300 -0.257 0.000 0.766 507 R CA -0.114 55.874 56.100 -0.186 0.000 1.062 507 R CB -0.885 29.279 30.300 -0.226 0.000 0.935 507 R HN 0.236 nan 8.270 nan 0.000 0.388 508 V N 1.112 120.884 119.914 -0.237 0.000 5.049 508 V HA 0.667 4.787 4.120 -0.000 0.000 0.272 508 V C 0.890 176.699 176.094 -0.474 0.000 1.299 508 V CA 0.213 62.378 62.300 -0.225 0.000 0.684 508 V CB 0.408 32.198 31.823 -0.055 0.000 1.251 508 V HN 0.577 nan 8.190 nan 0.000 0.380 509 V N -2.541 117.259 119.914 -0.191 0.000 3.322 509 V HA 0.652 4.772 4.120 -0.000 0.000 0.289 509 V C -1.280 174.844 176.094 0.049 0.000 1.908 509 V CA -0.258 61.962 62.300 -0.132 0.000 0.962 509 V CB 0.955 32.666 31.823 -0.187 0.000 1.131 509 V HN 1.882 nan 8.190 nan 0.000 0.480 510 A N 1.072 123.912 122.820 0.032 0.000 2.401 510 A HA 0.986 5.306 4.320 -0.000 0.000 0.310 510 A C -2.619 174.889 177.584 -0.126 0.000 1.075 510 A CA -0.839 51.129 52.037 -0.115 0.000 0.746 510 A CB 2.093 21.078 19.000 -0.024 0.000 1.277 510 A HN 0.679 nan 8.150 nan 0.000 0.425 511 P HA 0.134 nan 4.420 nan 0.000 0.272 511 P C 1.308 178.677 177.300 0.115 0.000 1.276 511 P CA 0.761 63.826 63.100 -0.058 0.000 0.871 511 P CB 0.424 31.965 31.700 -0.266 0.000 1.313 512 G N 1.534 110.419 108.800 0.141 0.000 2.605 512 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.222 512 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.222 512 G C 1.293 176.475 174.900 0.471 0.000 1.092 512 G CA 1.009 46.285 45.100 0.294 0.000 0.730 512 G HN 0.311 nan 8.290 nan 0.000 0.588 513 L N -0.277 121.189 121.223 0.405 0.000 2.121 513 L HA 0.134 4.474 4.340 -0.000 0.000 0.200 513 L C 1.963 179.063 176.870 0.383 0.000 1.077 513 L CA 0.081 55.217 54.840 0.492 0.000 0.766 513 L CB -0.997 41.261 42.059 0.332 0.000 0.931 513 L HN -0.078 nan 8.230 nan 0.000 0.452 514 V N 0.743 120.825 119.914 0.280 0.000 3.306 514 V HA -0.043 4.077 4.120 -0.000 0.000 0.309 514 V C -0.186 176.003 176.094 0.158 0.000 1.173 514 V CA 0.619 63.057 62.300 0.230 0.000 1.324 514 V CB -2.110 29.886 31.823 0.288 0.000 1.036 514 V HN 0.299 nan 8.190 nan 0.000 0.420 515 D N -0.983 119.470 120.400 0.088 0.000 2.592 515 D HA 0.378 5.018 4.640 -0.000 0.000 0.259 515 D C 0.317 176.438 176.300 -0.299 0.000 1.144 515 D CA -0.727 53.179 54.000 -0.157 0.000 1.080 515 D CB 1.350 41.897 40.800 -0.422 0.000 1.225 515 D HN 0.152 nan 8.370 nan 0.000 0.619 516 C N 1.991 121.033 119.300 -0.431 0.000 2.842 516 C HA 0.196 4.656 4.460 -0.000 0.000 0.472 516 C C -0.973 173.867 174.990 -0.250 0.000 1.272 516 C CA -0.202 58.653 59.018 -0.271 0.000 1.549 516 C CB -2.639 25.052 27.740 -0.082 0.000 1.870 516 C HN 0.235 nan 8.230 nan 0.000 0.613 517 Y N -1.832 118.435 120.300 -0.055 0.000 2.399 517 Y HA 0.754 5.304 4.550 -0.000 0.000 0.327 517 Y C -0.568 175.287 175.900 -0.076 0.000 1.111 517 Y CA -2.789 55.258 58.100 -0.087 0.000 1.047 517 Y CB -0.306 38.054 38.460 -0.166 0.000 1.259 517 Y HN 0.067 nan 8.280 nan 0.000 0.434 518 I N 2.314 122.973 120.570 0.148 0.000 8.870 518 I HA -0.285 3.885 4.170 -0.000 0.000 0.308 518 I C -0.025 176.136 176.117 0.073 0.000 1.869 518 I CA -0.075 61.281 61.300 0.094 0.000 2.035 518 I CB 0.017 38.089 38.000 0.120 0.000 3.912 518 I HN 1.070 nan 8.210 nan 0.000 0.173 519 N N 2.275 120.991 118.700 0.026 0.000 2.735 519 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 519 N C -0.370 175.151 175.510 0.017 0.000 1.083 519 N CA 1.231 54.290 53.050 0.014 0.000 0.703 519 N CB -0.970 37.586 38.487 0.115 0.000 1.005 519 N HN 0.425 nan 8.380 nan 0.000 0.550 520 L N -0.419 120.805 121.223 0.002 0.000 2.839 520 L HA 0.450 4.790 4.340 -0.000 0.000 0.259 520 L C 1.071 177.934 176.870 -0.011 0.000 1.369 520 L CA 0.211 55.052 54.840 0.001 0.000 0.845 520 L CB 0.676 42.745 42.059 0.015 0.000 1.181 520 L HN 0.292 nan 8.230 nan 0.000 0.529 521 G N 0.043 108.828 108.800 -0.025 0.000 4.719 521 G HA2 0.372 4.332 3.960 -0.000 0.000 0.220 521 G HA3 0.372 4.332 3.960 -0.000 0.000 0.220 521 G C -0.199 174.667 174.900 -0.056 0.000 0.663 521 G CA 0.372 45.448 45.100 -0.040 0.000 0.969 521 G HN 0.382 nan 8.290 nan 0.000 0.716 522 A N 0.664 123.463 122.820 -0.034 0.000 2.480 522 A HA 0.596 4.916 4.320 -0.000 0.000 0.302 522 A C -0.050 177.594 177.584 0.100 0.000 1.151 522 A CA -0.636 51.398 52.037 -0.005 0.000 0.907 522 A CB 0.336 19.246 19.000 -0.150 0.000 1.487 522 A HN 0.218 nan 8.150 nan 0.000 0.396 523 R N 2.109 122.656 120.500 0.079 0.000 2.561 523 R HA 0.128 4.468 4.340 -0.000 0.000 0.347 523 R C -0.435 175.986 176.300 0.203 0.000 0.916 523 R CA 0.960 57.104 56.100 0.074 0.000 1.063 523 R CB 0.269 30.579 30.300 0.016 0.000 0.916 523 R HN 0.748 nan 8.270 nan 0.000 0.410 524 W N 1.676 122.945 121.300 -0.053 0.000 2.988 524 W HA 0.367 5.027 4.660 -0.000 0.000 0.355 524 W C -1.699 174.803 176.519 -0.029 0.000 1.233 524 W CA -0.560 56.764 57.345 -0.036 0.000 1.176 524 W CB 1.993 31.439 29.460 -0.025 0.000 1.477 524 W HN 0.317 nan 8.180 nan 0.000 0.582 525 S N 3.242 118.419 115.700 -0.872 0.000 2.720 525 S HA 0.286 4.756 4.470 -0.000 0.000 0.278 525 S C -0.435 173.456 174.600 -1.181 0.000 1.172 525 S CA -0.767 57.035 58.200 -0.664 0.000 1.019 525 S CB 1.417 64.369 63.200 -0.412 0.000 1.049 525 S HN 0.421 nan 8.310 nan 0.000 0.483 526 L N 3.476 124.493 121.223 -0.343 0.000 2.621 526 L HA -0.118 4.222 4.340 -0.000 0.000 0.313 526 L C 1.551 178.259 176.870 -0.270 0.000 1.277 526 L CA 1.199 56.067 54.840 0.046 0.000 0.857 526 L CB 0.182 42.355 42.059 0.189 0.000 1.093 526 L HN 0.834 nan 8.230 nan 0.000 0.527 527 D N 2.767 123.065 120.400 -0.169 0.000 2.170 527 D HA -0.279 4.361 4.640 -0.000 0.000 0.193 527 D C 0.559 176.578 176.300 -0.467 0.000 1.004 527 D CA 2.043 55.779 54.000 -0.440 0.000 0.860 527 D CB -0.229 40.109 40.800 -0.770 0.000 0.931 527 D HN 0.590 nan 8.370 nan 0.000 0.448 528 Y N -0.045 120.296 120.300 0.068 0.000 2.883 528 Y HA 0.356 4.906 4.550 -0.000 0.000 0.385 528 Y C 1.431 177.354 175.900 0.040 0.000 1.067 528 Y CA -0.419 57.716 58.100 0.058 0.000 1.682 528 Y CB 0.192 38.693 38.460 0.069 0.000 1.606 528 Y HN -0.095 nan 8.280 nan 0.000 0.508 529 M N -0.351 119.276 119.600 0.044 0.000 2.215 529 M HA 0.178 4.658 4.480 -0.000 0.000 0.391 529 M C -0.577 175.733 176.300 0.016 0.000 0.914 529 M CA 0.472 55.792 55.300 0.033 0.000 1.035 529 M CB 0.511 33.101 32.600 -0.016 0.000 1.944 529 M HN 0.295 nan 8.290 nan 0.000 0.656 530 D N 0.800 121.217 120.400 0.029 0.000 2.213 530 D HA 0.024 4.664 4.640 -0.000 0.000 0.205 530 D C 1.062 177.473 176.300 0.186 0.000 0.961 530 D CA 1.013 55.066 54.000 0.089 0.000 0.853 530 D CB -0.401 40.467 40.800 0.113 0.000 0.967 530 D HN 0.550 nan 8.370 nan 0.000 0.496 531 N N 0.328 119.108 118.700 0.133 0.000 2.586 531 N HA -0.059 4.681 4.740 -0.000 0.000 0.191 531 N C -0.180 175.452 175.510 0.203 0.000 1.085 531 N CA 0.131 53.241 53.050 0.100 0.000 0.921 531 N CB 0.204 38.740 38.487 0.083 0.000 0.954 531 N HN 0.051 nan 8.380 nan 0.000 0.448 532 V N 0.644 120.705 119.914 0.246 0.000 2.713 532 V HA 0.109 4.229 4.120 -0.000 0.000 0.307 532 V C 0.322 176.538 176.094 0.203 0.000 1.052 532 V CA -1.089 61.348 62.300 0.229 0.000 0.967 532 V CB 1.766 33.661 31.823 0.119 0.000 1.019 532 V HN 0.185 nan 8.190 nan 0.000 0.459 533 N N 3.394 122.128 118.700 0.056 0.000 2.458 533 N HA 0.264 5.004 4.740 -0.000 0.000 0.270 533 N C -2.205 173.099 175.510 -0.344 0.000 1.102 533 N CA -1.011 51.896 53.050 -0.239 0.000 0.967 533 N CB 1.823 40.252 38.487 -0.097 0.000 1.078 533 N HN 0.435 nan 8.380 nan 0.000 0.471 534 P HA 0.269 nan 4.420 nan 0.000 0.254 534 P C -0.458 176.306 177.300 -0.893 0.000 1.620 534 P CA 0.080 62.753 63.100 -0.711 0.000 1.050 534 P CB -0.105 31.126 31.700 -0.782 0.000 1.539 535 F N -1.595 118.184 119.950 -0.286 0.000 2.798 535 F HA 0.285 4.812 4.527 -0.000 0.000 0.328 535 F C 0.938 176.632 175.800 -0.177 0.000 1.098 535 F CA -0.247 57.632 58.000 -0.201 0.000 1.172 535 F CB -0.031 38.858 39.000 -0.185 0.000 1.072 535 F HN -0.193 nan 8.300 nan 0.000 0.555 536 N N 0.733 119.358 118.700 -0.125 0.000 3.052 536 N HA 0.072 4.812 4.740 -0.000 0.000 0.302 536 N C -0.232 175.085 175.510 -0.323 0.000 1.332 536 N CA 0.297 53.196 53.050 -0.252 0.000 1.129 536 N CB -0.388 37.818 38.487 -0.469 0.000 1.436 536 N HN 0.344 nan 8.380 nan 0.000 0.536 537 H N -1.356 117.485 119.070 -0.381 0.000 2.915 537 H HA 0.328 4.884 4.556 -0.000 0.000 0.298 537 H C 0.633 175.532 175.328 -0.716 0.000 1.516 537 H CA -0.592 55.184 56.048 -0.453 0.000 1.480 537 H CB 1.648 31.314 29.762 -0.161 0.000 1.847 537 H HN 0.377 nan 8.280 nan 0.000 0.806 538 H N -0.343 118.470 119.070 -0.428 0.000 2.373 538 H HA 0.175 4.731 4.556 -0.000 0.000 0.290 538 H C 1.099 176.300 175.328 -0.212 0.000 0.989 538 H CA -0.243 55.400 56.048 -0.675 0.000 1.250 538 H CB 1.042 30.563 29.762 -0.400 0.000 1.477 538 H HN 0.221 nan 8.280 nan 0.000 0.551 539 R N 2.101 122.694 120.500 0.156 0.000 2.541 539 R HA 0.037 4.377 4.340 -0.000 0.000 0.245 539 R C 1.184 177.605 176.300 0.202 0.000 1.154 539 R CA -0.211 55.995 56.100 0.177 0.000 1.179 539 R CB -0.192 30.232 30.300 0.206 0.000 1.189 539 R HN 0.333 nan 8.270 nan 0.000 0.526 540 N N 1.142 119.940 118.700 0.164 0.000 2.430 540 N HA -0.192 4.548 4.740 -0.000 0.000 0.186 540 N C 0.967 176.571 175.510 0.157 0.000 1.032 540 N CA 1.060 54.198 53.050 0.147 0.000 0.893 540 N CB 0.146 38.700 38.487 0.111 0.000 0.957 540 N HN 0.317 nan 8.380 nan 0.000 0.442 541 A N -1.385 121.544 122.820 0.181 0.000 3.367 541 A HA -0.246 4.074 4.320 -0.000 0.000 0.270 541 A C 1.416 179.185 177.584 0.309 0.000 1.135 541 A CA 2.201 54.387 52.037 0.248 0.000 0.990 541 A CB -1.849 17.287 19.000 0.227 0.000 1.026 541 A HN 0.528 nan 8.150 nan 0.000 0.763 542 G N -2.854 106.090 108.800 0.240 0.000 2.571 542 G HA2 0.371 4.331 3.960 -0.000 0.000 0.204 542 G HA3 0.371 4.331 3.960 -0.000 0.000 0.204 542 G C 0.924 175.942 174.900 0.197 0.000 1.315 542 G CA 0.825 46.052 45.100 0.211 0.000 0.593 542 G HN 1.054 nan 8.290 nan 0.000 1.002 543 L N 0.780 122.104 121.223 0.168 0.000 2.375 543 L HA 0.482 4.822 4.340 -0.000 0.000 0.215 543 L C 1.256 178.243 176.870 0.194 0.000 1.108 543 L CA 0.545 55.475 54.840 0.150 0.000 0.830 543 L CB -0.136 41.980 42.059 0.095 0.000 0.959 543 L HN 0.083 nan 8.230 nan 0.000 0.457 544 R N -0.460 120.155 120.500 0.191 0.000 2.825 544 R HA 0.100 4.440 4.340 -0.000 0.000 0.261 544 R C -0.859 175.600 176.300 0.265 0.000 1.341 544 R CA 0.027 56.251 56.100 0.207 0.000 1.353 544 R CB -0.180 30.201 30.300 0.135 0.000 1.191 544 R HN 0.359 nan 8.270 nan 0.000 0.590 545 Y N 0.667 121.045 120.300 0.130 0.000 3.281 545 Y HA -0.008 4.542 4.550 -0.000 0.000 0.363 545 Y C 0.420 176.382 175.900 0.103 0.000 0.966 545 Y CA -0.102 58.055 58.100 0.095 0.000 0.956 545 Y CB -0.032 38.483 38.460 0.091 0.000 1.319 545 Y HN 0.455 nan 8.280 nan 0.000 0.471 546 R N -0.955 119.727 120.500 0.304 0.000 2.373 546 R HA 0.308 4.648 4.340 -0.000 0.000 0.221 546 R C 1.273 177.701 176.300 0.214 0.000 0.893 546 R CA 1.080 57.317 56.100 0.227 0.000 1.049 546 R CB 0.724 31.143 30.300 0.198 0.000 1.119 546 R HN 0.162 nan 8.270 nan 0.000 0.535 547 S N 1.282 117.126 115.700 0.240 0.000 2.510 547 S HA 0.032 4.502 4.470 -0.000 0.000 0.230 547 S C 2.019 176.734 174.600 0.191 0.000 1.066 547 S CA 0.116 58.461 58.200 0.241 0.000 0.941 547 S CB 0.023 63.413 63.200 0.317 0.000 0.829 547 S HN 0.122 nan 8.310 nan 0.000 0.530 548 M N 1.573 121.273 119.600 0.168 0.000 2.435 548 M HA 0.090 4.570 4.480 -0.000 0.000 0.262 548 M C 1.940 178.294 176.300 0.089 0.000 1.065 548 M CA 1.200 56.561 55.300 0.102 0.000 1.076 548 M CB -1.085 31.535 32.600 0.035 0.000 1.403 548 M HN 0.383 nan 8.290 nan 0.000 0.454 549 L N -0.814 120.478 121.223 0.114 0.000 2.556 549 L HA 0.211 4.551 4.340 -0.000 0.000 0.226 549 L C 1.854 178.767 176.870 0.071 0.000 1.089 549 L CA 0.600 55.493 54.840 0.088 0.000 0.864 549 L CB -0.184 41.938 42.059 0.106 0.000 1.067 549 L HN 0.088 nan 8.230 nan 0.000 0.477 550 L N 0.728 122.011 121.223 0.100 0.000 2.044 550 L HA 0.248 4.588 4.340 -0.000 0.000 0.205 550 L C 1.241 178.150 176.870 0.065 0.000 1.075 550 L CA 1.523 56.412 54.840 0.082 0.000 0.747 550 L CB -1.107 41.036 42.059 0.140 0.000 0.903 550 L HN 0.632 nan 8.230 nan 0.000 0.435 551 G N -0.351 108.525 108.800 0.127 0.000 2.525 551 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.685 551 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.685 551 G C 0.025 175.104 174.900 0.298 0.000 1.290 551 G CA 0.048 45.228 45.100 0.133 0.000 0.915 551 G HN 0.415 nan 8.290 nan 0.000 0.548 552 N N -1.129 117.732 118.700 0.268 0.000 2.463 552 N HA 0.339 5.079 4.740 -0.000 0.000 0.183 552 N C 1.262 177.018 175.510 0.409 0.000 1.064 552 N CA 0.334 53.666 53.050 0.469 0.000 0.879 552 N CB 0.565 39.205 38.487 0.254 0.000 1.148 552 N HN 1.003 nan 8.380 nan 0.000 0.451 553 G N 0.800 109.684 108.800 0.139 0.000 2.358 553 G HA2 0.130 4.090 3.960 -0.000 0.000 0.273 553 G HA3 0.130 4.090 3.960 -0.000 0.000 0.273 553 G C 0.220 175.096 174.900 -0.040 0.000 1.215 553 G CA -0.614 44.538 45.100 0.086 0.000 0.910 553 G HN 0.230 nan 8.290 nan 0.000 0.467 554 R N 1.536 122.057 120.500 0.035 0.000 2.340 554 R HA 0.051 4.391 4.340 -0.000 0.000 0.215 554 R C -0.547 175.825 176.300 0.120 0.000 1.017 554 R CA 0.348 56.418 56.100 -0.051 0.000 1.111 554 R CB 0.041 30.399 30.300 0.096 0.000 1.049 554 R HN 0.654 nan 8.270 nan 0.000 0.490 555 Y N -0.087 120.154 120.300 -0.099 0.000 2.748 555 Y HA 0.253 4.803 4.550 -0.000 0.000 0.359 555 Y C -0.724 175.131 175.900 -0.075 0.000 1.030 555 Y CA -0.812 57.245 58.100 -0.070 0.000 1.169 555 Y CB 1.406 39.841 38.460 -0.043 0.000 1.127 555 Y HN -0.255 nan 8.280 nan 0.000 0.644 556 V N 4.136 124.032 119.914 -0.031 0.000 2.325 556 V HA 0.301 4.421 4.120 -0.000 0.000 0.280 556 V C -2.069 173.992 176.094 -0.055 0.000 1.016 556 V CA -2.008 60.268 62.300 -0.041 0.000 0.818 556 V CB 1.162 32.952 31.823 -0.056 0.000 1.019 556 V HN 0.409 nan 8.190 nan 0.000 0.434 557 P HA 0.312 nan 4.420 nan 0.000 0.327 557 P C -0.558 176.664 177.300 -0.130 0.000 1.414 557 P CA 0.417 63.347 63.100 -0.283 0.000 0.823 557 P CB 0.355 31.862 31.700 -0.322 0.000 1.899 558 F N -4.774 115.084 119.950 -0.154 0.000 3.397 558 F HA 0.612 5.139 4.527 -0.000 0.000 0.327 558 F C -0.421 175.298 175.800 -0.136 0.000 1.143 558 F CA -0.692 57.178 58.000 -0.216 0.000 0.864 558 F CB 0.099 39.007 39.000 -0.154 0.000 1.530 558 F HN 0.467 nan 8.300 nan 0.000 0.498 559 H N -1.221 118.067 119.070 0.364 0.000 3.757 559 H HA 0.226 4.782 4.556 -0.000 0.000 0.297 559 H C -0.795 174.659 175.328 0.210 0.000 1.094 559 H CA -0.839 55.368 56.048 0.265 0.000 0.938 559 H CB -1.983 27.882 29.762 0.171 0.000 3.291 559 H HN 0.676 nan 8.280 nan 0.000 0.637 560 I N 1.084 121.891 120.570 0.396 0.000 3.613 560 I HA -0.047 4.123 4.170 -0.000 0.000 0.261 560 I C -0.012 176.230 176.117 0.209 0.000 1.336 560 I CA 0.693 62.132 61.300 0.231 0.000 1.258 560 I CB 0.211 38.209 38.000 -0.003 0.000 1.378 560 I HN 0.301 nan 8.210 nan 0.000 0.658 561 Q N 1.523 121.356 119.800 0.055 0.000 2.616 561 Q HA 0.451 4.791 4.340 -0.000 0.000 0.250 561 Q C -1.089 174.746 176.000 -0.275 0.000 0.991 561 Q CA -0.322 55.300 55.803 -0.303 0.000 0.707 561 Q CB 1.911 30.238 28.738 -0.684 0.000 1.247 561 Q HN 0.368 nan 8.270 nan 0.000 0.491 562 V N 3.506 123.347 119.914 -0.121 0.000 2.785 562 V HA 0.389 4.509 4.120 -0.000 0.000 0.300 562 V C -1.790 174.193 176.094 -0.184 0.000 1.062 562 V CA -1.022 60.946 62.300 -0.554 0.000 1.029 562 V CB 1.055 32.583 31.823 -0.491 0.000 1.024 562 V HN 0.627 nan 8.190 nan 0.000 0.477 563 P HA 0.405 nan 4.420 nan 0.000 0.297 563 P C -1.132 176.283 177.300 0.192 0.000 1.315 563 P CA -0.235 62.926 63.100 0.103 0.000 0.807 563 P CB 1.218 33.069 31.700 0.252 0.000 2.055 564 Q N -1.589 118.327 119.800 0.194 0.000 2.528 564 Q HA 0.634 4.974 4.340 -0.000 0.000 0.289 564 Q C -1.353 174.795 176.000 0.247 0.000 1.091 564 Q CA -0.427 55.501 55.803 0.209 0.000 0.797 564 Q CB 2.076 30.931 28.738 0.197 0.000 1.466 564 Q HN 0.057 nan 8.270 nan 0.000 0.436 565 K N 1.622 122.183 120.400 0.269 0.000 2.690 565 K HA 0.510 4.830 4.320 -0.000 0.000 0.264 565 K C -1.932 174.788 176.600 0.201 0.000 1.040 565 K CA -0.234 56.164 56.287 0.186 0.000 0.946 565 K CB 1.020 33.436 32.500 -0.141 0.000 1.268 565 K HN 0.579 nan 8.250 nan 0.000 0.473 566 F N 3.536 123.526 119.950 0.067 0.000 3.311 566 F HA 0.002 4.529 4.527 -0.000 0.000 0.335 566 F C 0.598 176.411 175.800 0.022 0.000 1.040 566 F CA -1.002 57.013 58.000 0.024 0.000 1.391 566 F CB 0.388 39.384 39.000 -0.007 0.000 1.697 566 F HN 0.574 nan 8.300 nan 0.000 0.806 567 F N 2.861 122.887 119.950 0.126 0.000 2.213 567 F HA -0.254 4.273 4.527 -0.000 0.000 0.299 567 F C 1.266 177.287 175.800 0.368 0.000 1.036 567 F CA 2.175 60.304 58.000 0.215 0.000 1.335 567 F CB -0.798 38.259 39.000 0.096 0.000 1.082 567 F HN 0.290 nan 8.300 nan 0.000 0.518 568 A N 0.285 123.019 122.820 -0.143 0.000 2.340 568 A HA 0.387 4.707 4.320 -0.000 0.000 0.213 568 A C 1.010 178.518 177.584 -0.126 0.000 1.299 568 A CA 0.229 52.263 52.037 -0.006 0.000 0.994 568 A CB -0.254 18.663 19.000 -0.138 0.000 1.132 568 A HN 0.556 nan 8.150 nan 0.000 0.519 569 I N -1.199 119.324 120.570 -0.078 0.000 2.448 569 I HA 0.480 4.650 4.170 -0.000 0.000 0.284 569 I C 0.331 176.458 176.117 0.017 0.000 1.135 569 I CA -0.415 60.781 61.300 -0.173 0.000 1.207 569 I CB 0.589 38.342 38.000 -0.411 0.000 1.548 569 I HN 0.095 nan 8.210 nan 0.000 0.543 570 K N 3.103 123.523 120.400 0.035 0.000 2.726 570 K HA 0.140 4.460 4.320 -0.000 0.000 0.189 570 K C -0.010 176.625 176.600 0.059 0.000 1.691 570 K CA 0.181 56.527 56.287 0.098 0.000 1.250 570 K CB -0.279 32.335 32.500 0.191 0.000 1.705 570 K HN 0.469 nan 8.250 nan 0.000 0.606 571 N N 0.818 119.554 118.700 0.061 0.000 2.235 571 N HA 0.206 4.946 4.740 -0.000 0.000 0.231 571 N C -0.824 174.636 175.510 -0.084 0.000 1.177 571 N CA -0.122 52.993 53.050 0.108 0.000 0.874 571 N CB 0.699 39.413 38.487 0.379 0.000 1.097 571 N HN -0.001 nan 8.380 nan 0.000 0.518 572 L N 2.612 123.684 121.223 -0.252 0.000 2.385 572 L HA 0.238 4.578 4.340 -0.000 0.000 0.285 572 L C -0.332 176.412 176.870 -0.210 0.000 1.125 572 L CA -0.254 54.343 54.840 -0.406 0.000 0.890 572 L CB 0.100 41.904 42.059 -0.424 0.000 1.251 572 L HN -0.010 nan 8.230 nan 0.000 0.445 573 L N 3.810 124.946 121.223 -0.145 0.000 2.483 573 L HA 0.038 4.378 4.340 -0.000 0.000 0.277 573 L C 0.263 177.094 176.870 -0.065 0.000 1.248 573 L CA 0.509 55.320 54.840 -0.048 0.000 0.825 573 L CB -0.114 41.950 42.059 0.010 0.000 1.096 573 L HN 0.407 nan 8.230 nan 0.000 0.512 574 L N 1.088 122.294 121.223 -0.029 0.000 2.421 574 L HA 0.760 5.100 4.340 -0.000 0.000 0.267 574 L C -0.864 175.978 176.870 -0.046 0.000 1.036 574 L CA -0.673 54.131 54.840 -0.060 0.000 0.829 574 L CB 1.513 43.515 42.059 -0.095 0.000 1.437 574 L HN 0.449 nan 8.230 nan 0.000 0.488 575 L N 0.745 121.931 121.223 -0.063 0.000 2.466 575 L HA 0.504 4.844 4.340 -0.000 0.000 0.258 575 L C -2.381 174.456 176.870 -0.055 0.000 0.973 575 L CA -1.601 53.213 54.840 -0.043 0.000 0.826 575 L CB 2.526 44.577 42.059 -0.013 0.000 1.372 575 L HN 0.474 nan 8.230 nan 0.000 0.409 576 P HA 0.136 nan 4.420 nan 0.000 0.263 576 P C -0.298 177.020 177.300 0.031 0.000 1.162 576 P CA 0.498 63.569 63.100 -0.047 0.000 0.758 576 P CB 0.442 32.113 31.700 -0.049 0.000 0.773 577 G N 0.793 109.634 108.800 0.067 0.000 2.335 577 G HA2 0.452 4.412 3.960 -0.000 0.000 0.291 577 G HA3 0.452 4.412 3.960 -0.000 0.000 0.291 577 G C -1.598 173.438 174.900 0.226 0.000 1.261 577 G CA -0.342 44.879 45.100 0.202 0.000 0.871 577 G HN 0.359 nan 8.290 nan 0.000 0.491 578 S N -0.745 115.167 115.700 0.354 0.000 2.548 578 S HA 0.756 5.226 4.470 -0.000 0.000 0.276 578 S C -1.336 173.562 174.600 0.496 0.000 1.129 578 S CA -0.437 57.959 58.200 0.327 0.000 0.931 578 S CB 1.239 64.531 63.200 0.153 0.000 1.068 578 S HN 0.491 nan 8.310 nan 0.000 0.480 579 Y N 0.414 120.752 120.300 0.062 0.000 2.833 579 Y HA 0.767 5.317 4.550 -0.000 0.000 0.323 579 Y C 0.945 176.904 175.900 0.098 0.000 1.220 579 Y CA -0.841 57.304 58.100 0.075 0.000 1.174 579 Y CB 1.850 40.356 38.460 0.077 0.000 1.404 579 Y HN 0.543 nan 8.280 nan 0.000 0.607 580 T N -1.196 113.502 114.554 0.240 0.000 2.731 580 T HA 0.522 4.872 4.350 -0.000 0.000 0.300 580 T C -2.429 172.477 174.700 0.344 0.000 1.283 580 T CA -0.468 61.755 62.100 0.206 0.000 1.005 580 T CB 1.517 70.442 68.868 0.095 0.000 1.420 580 T HN 0.470 nan 8.240 nan 0.000 0.503 581 Y N 0.475 120.849 120.300 0.123 0.000 2.841 581 Y HA 0.516 5.066 4.550 -0.000 0.000 0.373 581 Y C -1.633 174.383 175.900 0.194 0.000 1.170 581 Y CA -0.647 57.547 58.100 0.157 0.000 1.196 581 Y CB 0.939 39.495 38.460 0.160 0.000 1.433 581 Y HN 0.895 nan 8.280 nan 0.000 0.479 582 E N 2.617 122.172 120.200 -1.074 0.000 2.411 582 E HA 0.366 4.716 4.350 -0.000 0.000 0.279 582 E C -2.449 173.836 176.600 -0.525 0.000 1.132 582 E CA -0.727 55.356 56.400 -0.527 0.000 0.876 582 E CB 1.568 31.148 29.700 -0.200 0.000 1.335 582 E HN 0.687 nan 8.360 nan 0.000 0.436 583 W N 1.977 123.041 121.300 -0.394 0.000 3.464 583 W HA 0.335 4.995 4.660 -0.000 0.000 0.292 583 W C -1.779 174.328 176.519 -0.686 0.000 1.262 583 W CA -0.466 56.515 57.345 -0.607 0.000 1.202 583 W CB 1.627 30.572 29.460 -0.859 0.000 1.334 583 W HN 0.575 nan 8.180 nan 0.000 0.561 584 N N 3.955 122.099 118.700 -0.928 0.000 2.521 584 N HA 0.200 4.940 4.740 -0.000 0.000 0.236 584 N C 0.032 175.405 175.510 -0.230 0.000 1.067 584 N CA 0.030 52.774 53.050 -0.511 0.000 0.939 584 N CB -0.149 38.002 38.487 -0.560 0.000 1.201 584 N HN 0.220 nan 8.380 nan 0.000 0.511 585 F N 1.640 121.696 119.950 0.178 0.000 2.664 585 F HA 0.211 4.738 4.527 -0.000 0.000 0.301 585 F C 1.497 177.384 175.800 0.145 0.000 1.126 585 F CA -0.526 57.592 58.000 0.197 0.000 1.373 585 F CB -0.211 38.868 39.000 0.132 0.000 1.042 585 F HN 0.382 nan 8.300 nan 0.000 0.535 586 R N 2.391 123.044 120.500 0.256 0.000 3.074 586 R HA -0.286 4.054 4.340 -0.000 0.000 0.671 586 R C -1.044 175.416 176.300 0.268 0.000 0.490 586 R CA 1.148 57.380 56.100 0.220 0.000 2.015 586 R CB -0.330 30.208 30.300 0.396 0.000 0.739 586 R HN 0.440 nan 8.270 nan 0.000 0.639 587 K N 1.276 121.881 120.400 0.341 0.000 2.842 587 K HA 0.254 4.574 4.320 -0.000 0.000 0.176 587 K C -0.791 175.999 176.600 0.316 0.000 1.080 587 K CA -0.590 55.895 56.287 0.330 0.000 0.954 587 K CB 0.905 33.608 32.500 0.339 0.000 1.203 587 K HN 0.442 nan 8.250 nan 0.000 0.611 588 D N -0.041 120.524 120.400 0.275 0.000 2.726 588 D HA 0.447 5.087 4.640 -0.000 0.000 0.241 588 D C 0.098 176.505 176.300 0.179 0.000 1.150 588 D CA -0.467 53.677 54.000 0.240 0.000 1.089 588 D CB 2.381 43.334 40.800 0.255 0.000 1.260 588 D HN 0.006 nan 8.370 nan 0.000 0.637 589 V N 0.021 120.033 119.914 0.163 0.000 3.602 589 V HA 0.014 4.134 4.120 -0.000 0.000 0.186 589 V C 1.297 177.467 176.094 0.128 0.000 1.444 589 V CA 0.108 62.483 62.300 0.126 0.000 1.221 589 V CB -0.312 31.571 31.823 0.101 0.000 1.180 589 V HN 0.426 nan 8.190 nan 0.000 0.554 590 N N 0.299 119.101 118.700 0.171 0.000 2.635 590 N HA -0.040 4.700 4.740 -0.000 0.000 0.191 590 N C 0.731 176.419 175.510 0.296 0.000 1.155 590 N CA 1.220 54.421 53.050 0.251 0.000 0.927 590 N CB -0.014 38.678 38.487 0.343 0.000 0.976 590 N HN 0.455 nan 8.380 nan 0.000 0.448 591 M N -0.614 119.087 119.600 0.169 0.000 2.687 591 M HA 0.148 4.628 4.480 -0.000 0.000 0.413 591 M C -0.454 175.869 176.300 0.039 0.000 1.216 591 M CA -0.066 55.281 55.300 0.078 0.000 0.871 591 M CB 1.665 34.276 32.600 0.017 0.000 1.481 591 M HN -0.031 nan 8.290 nan 0.000 0.521 592 V N -1.907 118.039 119.914 0.052 0.000 3.823 592 V HA 0.530 4.650 4.120 -0.000 0.000 0.594 592 V C -0.942 175.171 176.094 0.032 0.000 1.832 592 V CA -0.453 61.882 62.300 0.058 0.000 2.447 592 V CB 0.957 32.862 31.823 0.137 0.000 1.172 592 V HN 0.233 nan 8.190 nan 0.000 0.640 593 L N 1.284 122.458 121.223 -0.082 0.000 3.688 593 L HA 0.365 4.705 4.340 -0.000 0.000 0.258 593 L C -0.142 176.667 176.870 -0.101 0.000 0.993 593 L CA 0.284 55.059 54.840 -0.108 0.000 1.283 593 L CB 1.760 43.842 42.059 0.037 0.000 1.960 593 L HN 0.726 nan 8.230 nan 0.000 0.652 594 Q N 1.876 121.568 119.800 -0.180 0.000 2.870 594 Q HA 0.529 4.869 4.340 -0.000 0.000 0.193 594 Q C 0.085 176.073 176.000 -0.020 0.000 1.148 594 Q CA 1.003 56.754 55.803 -0.088 0.000 1.212 594 Q CB 0.904 29.581 28.738 -0.100 0.000 1.290 594 Q HN 0.803 nan 8.270 nan 0.000 0.686 595 S N -1.714 113.988 115.700 0.004 0.000 2.656 595 S HA 0.181 4.651 4.470 -0.000 0.000 0.265 595 S C -0.918 173.703 174.600 0.035 0.000 1.132 595 S CA -0.284 57.934 58.200 0.030 0.000 0.819 595 S CB 0.836 64.032 63.200 -0.007 0.000 1.119 595 S HN 0.496 nan 8.310 nan 0.000 0.476 596 S N 0.499 116.234 115.700 0.058 0.000 2.519 596 S HA 0.528 4.998 4.470 -0.000 0.000 0.245 596 S C 0.171 174.789 174.600 0.031 0.000 1.152 596 S CA 0.223 58.451 58.200 0.047 0.000 1.175 596 S CB -1.705 61.566 63.200 0.118 0.000 0.829 596 S HN 1.108 nan 8.310 nan 0.000 0.472 597 L N -1.970 119.247 121.223 -0.010 0.000 1.282 597 L HA 0.526 4.866 4.340 -0.000 0.000 0.066 597 L C 0.613 177.396 176.870 -0.144 0.000 1.525 597 L CA 0.355 55.181 54.840 -0.024 0.000 1.112 597 L CB -1.236 40.834 42.059 0.019 0.000 2.241 597 L HN 0.271 nan 8.230 nan 0.000 0.439 598 G N 1.949 110.606 108.800 -0.237 0.000 3.238 598 G HA2 0.277 4.237 3.960 -0.000 0.000 0.684 598 G HA3 0.277 4.237 3.960 -0.000 0.000 0.684 598 G C -0.746 173.795 174.900 -0.598 0.000 1.156 598 G CA 0.010 44.754 45.100 -0.595 0.000 1.048 598 G HN 0.825 nan 8.290 nan 0.000 0.462 599 N N 0.537 119.025 118.700 -0.354 0.000 3.600 599 N HA 0.760 5.500 4.740 -0.000 0.000 0.351 599 N C -1.182 174.254 175.510 -0.123 0.000 1.614 599 N CA -0.646 52.290 53.050 -0.190 0.000 0.664 599 N CB 0.557 39.017 38.487 -0.046 0.000 2.485 599 N HN 0.342 nan 8.380 nan 0.000 0.629 600 D N -1.104 119.269 120.400 -0.045 0.000 2.248 600 D HA 0.620 5.260 4.640 -0.000 0.000 0.246 600 D C -0.872 175.420 176.300 -0.013 0.000 1.027 600 D CA -0.438 53.547 54.000 -0.025 0.000 0.853 600 D CB 0.958 41.750 40.800 -0.014 0.000 1.243 600 D HN 0.535 nan 8.370 nan 0.000 0.462 601 L N 2.928 124.147 121.223 -0.006 0.000 3.293 601 L HA 0.371 4.711 4.340 -0.000 0.000 0.345 601 L C 1.075 177.957 176.870 0.019 0.000 1.311 601 L CA -0.321 54.514 54.840 -0.009 0.000 0.846 601 L CB 0.477 42.520 42.059 -0.026 0.000 1.293 601 L HN 0.217 nan 8.230 nan 0.000 0.601 602 R N -0.387 120.132 120.500 0.031 0.000 2.344 602 R HA 0.278 4.618 4.340 -0.000 0.000 0.209 602 R C 0.466 176.792 176.300 0.044 0.000 0.886 602 R CA 0.205 56.337 56.100 0.054 0.000 1.040 602 R CB 0.818 31.158 30.300 0.066 0.000 1.114 602 R HN 0.178 nan 8.270 nan 0.000 0.547 603 V N 0.235 120.167 119.914 0.030 0.000 2.759 603 V HA 0.283 4.403 4.120 -0.000 0.000 0.342 603 V C -0.496 175.619 176.094 0.035 0.000 1.228 603 V CA -0.257 62.062 62.300 0.033 0.000 1.302 603 V CB 0.396 32.235 31.823 0.026 0.000 1.496 603 V HN 0.162 nan 8.190 nan 0.000 0.628 604 D N 0.572 120.983 120.400 0.018 0.000 3.048 604 D HA 0.349 4.989 4.640 -0.000 0.000 0.290 604 D C 0.679 176.958 176.300 -0.035 0.000 1.667 604 D CA 0.611 54.606 54.000 -0.009 0.000 0.835 604 D CB 0.241 41.006 40.800 -0.058 0.000 1.438 604 D HN 0.694 nan 8.370 nan 0.000 0.463 605 G N 0.581 109.380 108.800 -0.001 0.000 3.149 605 G HA2 0.368 4.328 3.960 -0.000 0.000 0.685 605 G HA3 0.368 4.328 3.960 -0.000 0.000 0.685 605 G C 0.065 174.953 174.900 -0.019 0.000 1.589 605 G CA -0.205 44.895 45.100 -0.000 0.000 1.187 605 G HN 1.281 nan 8.290 nan 0.000 0.604 606 A N 0.484 123.297 122.820 -0.012 0.000 2.372 606 A HA 0.804 5.124 4.320 -0.000 0.000 0.309 606 A C -0.032 177.532 177.584 -0.034 0.000 1.013 606 A CA 0.877 52.898 52.037 -0.028 0.000 0.978 606 A CB 0.369 19.360 19.000 -0.014 0.000 1.174 606 A HN 2.612 nan 8.150 nan 0.000 0.357 607 S N 1.863 117.514 115.700 -0.082 0.000 2.767 607 S HA 0.996 5.466 4.470 -0.000 0.000 0.300 607 S C -0.151 174.376 174.600 -0.122 0.000 1.123 607 S CA -0.039 58.099 58.200 -0.103 0.000 0.992 607 S CB 1.571 64.681 63.200 -0.150 0.000 1.138 607 S HN 2.247 nan 8.310 nan 0.000 0.550 608 I N -0.624 119.859 120.570 -0.144 0.000 2.397 608 I HA 0.318 4.488 4.170 -0.000 0.000 0.311 608 I C -2.118 173.799 176.117 -0.332 0.000 2.151 608 I CA -0.372 60.827 61.300 -0.169 0.000 0.931 608 I CB 1.265 39.202 38.000 -0.105 0.000 1.653 608 I HN 0.869 nan 8.210 nan 0.000 0.634 609 K N 4.968 125.104 120.400 -0.441 0.000 2.499 609 K HA 0.596 4.916 4.320 -0.000 0.000 0.277 609 K C -1.743 174.387 176.600 -0.783 0.000 1.025 609 K CA -0.560 55.309 56.287 -0.698 0.000 0.900 609 K CB 1.619 33.940 32.500 -0.298 0.000 1.494 609 K HN 0.417 nan 8.250 nan 0.000 0.442 610 F N 1.148 121.122 119.950 0.039 0.000 2.513 610 F HA 0.351 4.878 4.527 -0.000 0.000 0.358 610 F C -0.189 175.574 175.800 -0.061 0.000 1.118 610 F CA -0.788 57.188 58.000 -0.040 0.000 1.037 610 F CB 1.358 40.205 39.000 -0.256 0.000 1.276 610 F HN 0.259 nan 8.300 nan 0.000 0.446 611 D N 2.862 123.302 120.400 0.067 0.000 3.010 611 D HA 0.254 4.894 4.640 -0.000 0.000 0.347 611 D C -0.335 175.992 176.300 0.044 0.000 1.340 611 D CA 0.027 54.052 54.000 0.041 0.000 0.858 611 D CB 1.039 41.831 40.800 -0.013 0.000 1.111 611 D HN 0.530 nan 8.370 nan 0.000 0.482 612 S N 0.173 115.911 115.700 0.062 0.000 3.177 612 S HA 0.023 4.493 4.470 -0.000 0.000 0.206 612 S C -1.766 172.901 174.600 0.111 0.000 0.496 612 S CA -0.967 57.282 58.200 0.082 0.000 0.766 612 S CB -0.653 62.593 63.200 0.077 0.000 0.886 612 S HN 0.283 nan 8.310 nan 0.000 0.687 613 I N 4.399 125.056 120.570 0.145 0.000 2.607 613 I HA 0.843 5.013 4.170 -0.000 0.000 0.290 613 I C -0.157 176.101 176.117 0.235 0.000 1.129 613 I CA -0.246 61.157 61.300 0.172 0.000 1.042 613 I CB 1.539 39.644 38.000 0.176 0.000 1.242 613 I HN 1.166 nan 8.210 nan 0.000 0.421 614 C N 5.716 125.051 119.300 0.059 0.000 3.017 614 C HA 0.864 5.324 4.460 -0.000 0.000 0.380 614 C C -1.079 173.728 174.990 -0.305 0.000 1.583 614 C CA -0.952 58.023 59.018 -0.071 0.000 1.616 614 C CB 1.463 29.039 27.740 -0.273 0.000 2.145 614 C HN 0.661 nan 8.230 nan 0.000 0.466 615 L N 1.300 122.391 121.223 -0.219 0.000 2.614 615 L HA 0.570 4.910 4.340 -0.000 0.000 0.264 615 L C -1.864 175.010 176.870 0.008 0.000 0.940 615 L CA -0.421 54.313 54.840 -0.175 0.000 0.903 615 L CB 1.158 42.994 42.059 -0.372 0.000 1.306 615 L HN 0.792 nan 8.230 nan 0.000 0.410 616 Y N 2.506 122.572 120.300 -0.389 0.000 2.406 616 Y HA 0.922 5.472 4.550 -0.000 0.000 0.340 616 Y C 0.073 175.838 175.900 -0.224 0.000 0.975 616 Y CA -1.901 56.038 58.100 -0.268 0.000 1.056 616 Y CB 1.338 39.685 38.460 -0.188 0.000 1.210 616 Y HN 0.690 nan 8.280 nan 0.000 0.448 617 A N 1.050 123.780 122.820 -0.149 0.000 2.423 617 A HA 0.918 5.238 4.320 -0.000 0.000 0.304 617 A C -0.817 176.455 177.584 -0.521 0.000 1.104 617 A CA -0.934 50.889 52.037 -0.356 0.000 0.757 617 A CB 1.104 19.789 19.000 -0.525 0.000 1.313 617 A HN 0.673 nan 8.150 nan 0.000 0.423 618 T N 1.495 115.747 114.554 -0.502 0.000 2.842 618 T HA 0.566 4.916 4.350 -0.000 0.000 0.308 618 T C -0.306 174.186 174.700 -0.347 0.000 1.041 618 T CA -0.052 61.820 62.100 -0.380 0.000 0.964 618 T CB -0.043 68.710 68.868 -0.191 0.000 0.972 618 T HN 0.402 nan 8.240 nan 0.000 0.460 619 F N 1.348 121.301 119.950 0.005 0.000 2.589 619 F HA 0.772 5.299 4.527 -0.000 0.000 0.207 619 F C 0.198 176.107 175.800 0.182 0.000 1.028 619 F CA -1.189 56.845 58.000 0.055 0.000 1.009 619 F CB 0.753 39.791 39.000 0.064 0.000 2.173 619 F HN 0.437 nan 8.300 nan 0.000 0.637 620 F N 0.101 120.203 119.950 0.254 0.000 2.638 620 F HA 0.144 4.671 4.527 -0.000 0.000 0.308 620 F C -2.815 173.018 175.800 0.055 0.000 1.011 620 F CA -1.454 56.612 58.000 0.110 0.000 0.999 620 F CB 0.806 39.854 39.000 0.079 0.000 1.263 620 F HN 0.043 nan 8.300 nan 0.000 0.518 621 P HA 0.647 nan 4.420 nan 0.000 0.285 621 P C -1.332 175.825 177.300 -0.237 0.000 1.280 621 P CA -0.692 62.336 63.100 -0.120 0.000 0.862 621 P CB 2.220 33.874 31.700 -0.076 0.000 1.153 622 M N -0.001 119.486 119.600 -0.188 0.000 2.622 622 M HA 0.639 5.119 4.480 -0.000 0.000 0.276 622 M C -1.631 174.234 176.300 -0.724 0.000 1.265 622 M CA -1.009 54.093 55.300 -0.330 0.000 0.850 622 M CB 2.385 34.865 32.600 -0.199 0.000 1.720 622 M HN 0.432 nan 8.290 nan 0.000 0.465 623 A N 1.709 124.213 122.820 -0.526 0.000 2.347 623 A HA 0.445 4.765 4.320 -0.000 0.000 0.287 623 A C -0.937 176.391 177.584 -0.425 0.000 1.199 623 A CA -0.260 51.486 52.037 -0.486 0.000 0.851 623 A CB -0.766 18.114 19.000 -0.199 0.000 1.118 623 A HN 0.886 nan 8.150 nan 0.000 0.525 624 H N 1.810 120.867 119.070 -0.022 0.000 2.577 624 H HA 0.214 4.770 4.556 -0.000 0.000 0.306 624 H C 0.838 176.158 175.328 -0.014 0.000 1.109 624 H CA -0.318 55.718 56.048 -0.019 0.000 1.063 624 H CB -0.040 29.708 29.762 -0.024 0.000 1.535 624 H HN 0.682 nan 8.280 nan 0.000 0.532 625 N N 1.104 119.847 118.700 0.072 0.000 2.336 625 N HA -0.013 4.727 4.740 -0.000 0.000 0.189 625 N C -0.387 175.144 175.510 0.036 0.000 1.113 625 N CA 0.424 53.503 53.050 0.047 0.000 0.858 625 N CB 0.607 39.109 38.487 0.025 0.000 0.970 625 N HN 0.278 nan 8.380 nan 0.000 0.471 626 T N -0.663 113.916 114.554 0.042 0.000 4.843 626 T HA 0.211 4.561 4.350 -0.000 0.000 0.225 626 T C -0.208 174.508 174.700 0.028 0.000 0.923 626 T CA -0.337 61.780 62.100 0.029 0.000 1.212 626 T CB 0.282 69.157 68.868 0.011 0.000 0.775 626 T HN 0.142 nan 8.240 nan 0.000 0.499 627 A N 0.344 123.203 122.820 0.065 0.000 2.585 627 A HA 0.468 4.788 4.320 -0.000 0.000 0.266 627 A C 1.697 179.354 177.584 0.121 0.000 1.178 627 A CA 0.048 52.119 52.037 0.058 0.000 0.966 627 A CB 0.004 18.982 19.000 -0.036 0.000 1.170 627 A HN 0.424 nan 8.150 nan 0.000 0.558 628 S N 1.010 116.766 115.700 0.093 0.000 2.584 628 S HA -0.090 4.380 4.470 -0.000 0.000 0.240 628 S C 1.555 176.181 174.600 0.043 0.000 0.975 628 S CA 0.966 59.201 58.200 0.058 0.000 0.949 628 S CB -1.053 62.162 63.200 0.025 0.000 0.761 628 S HN 0.728 nan 8.310 nan 0.000 0.536 629 T N 3.586 118.165 114.554 0.043 0.000 1.703 629 T HA -0.261 4.089 4.350 -0.000 0.000 0.087 629 T C 1.048 175.766 174.700 0.030 0.000 1.944 629 T CA 1.361 63.479 62.100 0.031 0.000 0.827 629 T CB -1.000 67.884 68.868 0.026 0.000 0.823 629 T HN 0.261 nan 8.240 nan 0.000 0.378 630 L N 2.360 123.602 121.223 0.032 0.000 2.834 630 L HA 0.118 4.458 4.340 -0.000 0.000 0.252 630 L C 2.362 179.248 176.870 0.026 0.000 1.152 630 L CA 1.062 55.922 54.840 0.033 0.000 0.898 630 L CB -2.221 39.863 42.059 0.041 0.000 1.078 630 L HN 0.574 nan 8.230 nan 0.000 0.439 631 E N 0.601 120.813 120.200 0.020 0.000 2.204 631 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 631 E C 1.978 178.582 176.600 0.006 0.000 0.990 631 E CA 1.529 57.933 56.400 0.006 0.000 0.821 631 E CB 0.358 30.057 29.700 -0.002 0.000 0.750 631 E HN 0.450 nan 8.360 nan 0.000 0.477 632 A N -0.500 122.329 122.820 0.015 0.000 1.975 632 A HA 0.221 4.541 4.320 -0.000 0.000 0.197 632 A C 1.780 179.385 177.584 0.035 0.000 1.537 632 A CA 0.047 52.096 52.037 0.020 0.000 0.972 632 A CB -0.208 18.799 19.000 0.012 0.000 1.019 632 A HN 0.227 nan 8.150 nan 0.000 0.488 633 M N 0.569 120.188 119.600 0.032 0.000 2.699 633 M HA -0.140 4.340 4.480 -0.000 0.000 0.253 633 M C 0.849 177.178 176.300 0.049 0.000 1.062 633 M CA 1.174 56.496 55.300 0.037 0.000 1.050 633 M CB -0.302 32.318 32.600 0.033 0.000 1.380 633 M HN 0.606 nan 8.290 nan 0.000 0.520 634 L N -3.838 117.422 121.223 0.060 0.000 2.885 634 L HA 0.223 4.563 4.340 -0.000 0.000 0.251 634 L C 1.382 178.328 176.870 0.126 0.000 1.071 634 L CA -0.414 54.476 54.840 0.082 0.000 0.956 634 L CB -0.462 41.640 42.059 0.071 0.000 1.483 634 L HN -0.173 nan 8.230 nan 0.000 0.525 635 R N 2.317 122.873 120.500 0.094 0.000 3.441 635 R HA 0.138 4.478 4.340 -0.000 0.000 0.225 635 R C -0.543 175.854 176.300 0.161 0.000 1.756 635 R CA 0.085 56.245 56.100 0.099 0.000 1.504 635 R CB -0.921 29.392 30.300 0.023 0.000 1.183 635 R HN 0.414 nan 8.270 nan 0.000 0.567 636 N N -0.817 117.989 118.700 0.177 0.000 2.471 636 N HA 0.073 4.813 4.740 -0.000 0.000 0.288 636 N C 0.081 175.584 175.510 -0.011 0.000 1.220 636 N CA -0.538 52.571 53.050 0.099 0.000 0.893 636 N CB 1.517 40.032 38.487 0.046 0.000 1.256 636 N HN -0.191 nan 8.380 nan 0.000 0.534 637 D N -1.191 119.163 120.400 -0.078 0.000 2.120 637 D HA -0.062 4.578 4.640 -0.000 0.000 0.202 637 D C 0.902 177.100 176.300 -0.171 0.000 0.972 637 D CA 1.239 55.113 54.000 -0.211 0.000 0.837 637 D CB -0.036 40.706 40.800 -0.097 0.000 0.989 637 D HN 0.397 nan 8.370 nan 0.000 0.469 638 T N -0.290 114.218 114.554 -0.076 0.000 3.219 638 T HA 0.091 4.441 4.350 -0.000 0.000 0.249 638 T C -0.437 174.249 174.700 -0.022 0.000 1.099 638 T CA -0.082 61.991 62.100 -0.045 0.000 0.988 638 T CB -0.354 68.502 68.868 -0.021 0.000 0.999 638 T HN -0.070 nan 8.240 nan 0.000 0.550 639 N N 2.626 121.313 118.700 -0.022 0.000 2.540 639 N HA 0.415 5.155 4.740 -0.000 0.000 0.275 639 N C -1.709 173.830 175.510 0.049 0.000 1.053 639 N CA -0.577 52.487 53.050 0.023 0.000 0.876 639 N CB 1.492 40.004 38.487 0.041 0.000 1.284 639 N HN 0.227 nan 8.380 nan 0.000 0.518 640 D N -0.302 120.134 120.400 0.060 0.000 2.579 640 D HA 0.188 4.828 4.640 -0.000 0.000 0.257 640 D C -0.182 176.190 176.300 0.121 0.000 1.176 640 D CA -0.453 53.601 54.000 0.090 0.000 0.914 640 D CB 1.067 41.907 40.800 0.067 0.000 1.431 640 D HN 0.162 nan 8.370 nan 0.000 0.454 641 Q N 0.364 120.239 119.800 0.126 0.000 3.181 641 Q HA 0.122 4.462 4.340 -0.000 0.000 0.293 641 Q C 0.113 176.334 176.000 0.368 0.000 1.406 641 Q CA -0.078 55.869 55.803 0.241 0.000 1.026 641 Q CB 0.011 28.741 28.738 -0.014 0.000 1.630 641 Q HN 0.281 nan 8.270 nan 0.000 0.553 642 S N 1.701 117.573 115.700 0.285 0.000 3.806 642 S HA 0.021 4.491 4.470 -0.000 0.000 0.218 642 S C -0.278 174.505 174.600 0.305 0.000 1.146 642 S CA -0.437 57.907 58.200 0.239 0.000 1.030 642 S CB -0.633 62.646 63.200 0.132 0.000 1.617 642 S HN 0.224 nan 8.310 nan 0.000 0.487 643 F N 5.715 125.721 119.950 0.095 0.000 2.466 643 F HA 0.237 4.764 4.527 -0.000 0.000 0.363 643 F C 1.518 177.450 175.800 0.221 0.000 1.109 643 F CA -1.321 56.754 58.000 0.124 0.000 1.161 643 F CB 0.044 39.091 39.000 0.079 0.000 1.117 643 F HN 0.584 nan 8.300 nan 0.000 0.539 644 N N 2.255 121.044 118.700 0.149 0.000 2.374 644 N HA -0.121 4.619 4.740 -0.000 0.000 0.217 644 N C -0.268 175.431 175.510 0.315 0.000 1.269 644 N CA 0.571 53.723 53.050 0.170 0.000 0.756 644 N CB 0.034 38.543 38.487 0.037 0.000 0.848 644 N HN 0.552 nan 8.380 nan 0.000 0.356 645 D N -4.547 116.001 120.400 0.247 0.000 3.178 645 D HA 0.202 4.842 4.640 -0.000 0.000 0.301 645 D C -1.972 174.509 176.300 0.302 0.000 1.117 645 D CA -0.416 53.749 54.000 0.275 0.000 0.715 645 D CB -0.393 40.547 40.800 0.233 0.000 1.333 645 D HN 0.504 nan 8.370 nan 0.000 0.473 646 Y N 0.858 121.179 120.300 0.035 0.000 2.885 646 Y HA 0.378 4.928 4.550 -0.000 0.000 0.258 646 Y C -0.914 174.948 175.900 -0.064 0.000 0.926 646 Y CA -0.293 57.800 58.100 -0.011 0.000 1.121 646 Y CB 0.173 38.637 38.460 0.007 0.000 1.213 646 Y HN 0.403 nan 8.280 nan 0.000 0.648 647 L N -0.398 120.784 121.223 -0.069 0.000 2.808 647 L HA 0.857 5.197 4.340 -0.000 0.000 0.222 647 L C -0.422 176.270 176.870 -0.296 0.000 2.023 647 L CA -0.229 54.493 54.840 -0.197 0.000 2.647 647 L CB 0.978 42.869 42.059 -0.280 0.000 2.689 647 L HN 0.023 nan 8.230 nan 0.000 0.616 648 S N -0.718 114.776 115.700 -0.343 0.000 3.092 648 S HA 0.481 4.951 4.470 -0.000 0.000 0.852 648 S C -0.734 173.711 174.600 -0.258 0.000 0.620 648 S CA -0.099 57.908 58.200 -0.322 0.000 1.539 648 S CB -2.053 60.889 63.200 -0.430 0.000 1.051 648 S HN 1.312 nan 8.310 nan 0.000 0.830 649 A N 1.395 124.102 122.820 -0.188 0.000 2.602 649 A HA 1.038 5.358 4.320 -0.000 0.000 0.290 649 A C 0.184 177.713 177.584 -0.093 0.000 1.114 649 A CA -0.172 51.775 52.037 -0.150 0.000 0.683 649 A CB 1.126 20.023 19.000 -0.171 0.000 1.281 649 A HN 2.196 nan 8.150 nan 0.000 0.416 650 A N 0.373 123.078 122.820 -0.192 0.000 2.653 650 A HA 0.384 4.704 4.320 -0.000 0.000 0.231 650 A C -0.123 177.176 177.584 -0.476 0.000 1.146 650 A CA 0.087 52.003 52.037 -0.203 0.000 1.024 650 A CB -0.783 18.289 19.000 0.120 0.000 1.202 650 A HN 1.353 nan 8.150 nan 0.000 0.543 651 N N 0.198 118.595 118.700 -0.505 0.000 1.464 651 N HA -0.116 4.624 4.740 -0.000 0.000 0.385 651 N C 0.285 175.634 175.510 -0.268 0.000 1.201 651 N CA 0.945 53.777 53.050 -0.362 0.000 0.758 651 N CB 0.058 38.516 38.487 -0.049 0.000 0.965 651 N HN 0.418 nan 8.380 nan 0.000 0.543 652 M N 1.333 120.794 119.600 -0.232 0.000 3.003 652 M HA 0.571 5.051 4.480 -0.000 0.000 0.148 652 M C -0.789 175.344 176.300 -0.278 0.000 1.643 652 M CA -0.065 55.167 55.300 -0.113 0.000 1.598 652 M CB -0.397 32.296 32.600 0.155 0.000 0.778 652 M HN 0.568 nan 8.290 nan 0.000 0.556 653 L N -1.129 119.717 121.223 -0.629 0.000 3.641 653 L HA -0.048 4.292 4.340 -0.000 0.000 0.316 653 L C -1.933 174.265 176.870 -1.119 0.000 1.095 653 L CA -0.125 54.286 54.840 -0.715 0.000 1.028 653 L CB -0.616 41.260 42.059 -0.306 0.000 0.894 653 L HN 0.621 nan 8.230 nan 0.000 0.179 654 Y N 0.897 121.235 120.300 0.062 0.000 2.705 654 Y HA 0.801 5.351 4.550 -0.000 0.000 0.332 654 Y C -2.375 173.534 175.900 0.015 0.000 1.157 654 Y CA -2.398 55.726 58.100 0.041 0.000 1.091 654 Y CB 0.851 39.342 38.460 0.052 0.000 1.301 654 Y HN 0.289 nan 8.280 nan 0.000 0.488 655 P HA 0.297 nan 4.420 nan 0.000 0.274 655 P C -0.283 177.048 177.300 0.052 0.000 1.237 655 P CA 0.083 63.232 63.100 0.082 0.000 0.793 655 P CB 0.898 32.644 31.700 0.076 0.000 0.977 656 I N 0.182 120.767 120.570 0.025 0.000 3.007 656 I HA 0.202 4.372 4.170 -0.000 0.000 0.333 656 I C -2.292 173.829 176.117 0.007 0.000 1.489 656 I CA -1.892 59.411 61.300 0.006 0.000 0.906 656 I CB 0.646 38.640 38.000 -0.010 0.000 1.702 656 I HN 0.091 nan 8.210 nan 0.000 0.548 657 P HA -0.183 nan 4.420 nan 0.000 0.277 657 P C 0.320 177.627 177.300 0.011 0.000 1.237 657 P CA 0.561 63.669 63.100 0.014 0.000 0.819 657 P CB 0.604 32.313 31.700 0.016 0.000 0.841 658 A N 1.373 124.200 122.820 0.013 0.000 2.366 658 A HA 0.125 4.445 4.320 -0.000 0.000 0.249 658 A C 0.984 178.576 177.584 0.012 0.000 1.084 658 A CA 0.204 52.249 52.037 0.013 0.000 0.794 658 A CB -1.112 17.895 19.000 0.012 0.000 1.034 658 A HN 0.700 nan 8.150 nan 0.000 0.491 659 N N -1.071 117.638 118.700 0.015 0.000 2.536 659 N HA -0.258 4.482 4.740 -0.000 0.000 0.241 659 N C 0.408 175.924 175.510 0.011 0.000 1.254 659 N CA 1.186 54.245 53.050 0.016 0.000 0.786 659 N CB -0.805 37.691 38.487 0.014 0.000 1.197 659 N HN 0.957 nan 8.380 nan 0.000 0.579 660 A N 0.006 122.830 122.820 0.008 0.000 2.981 660 A HA 0.230 4.550 4.320 -0.000 0.000 0.280 660 A C 1.350 178.933 177.584 -0.002 0.000 1.743 660 A CA 0.106 52.145 52.037 0.004 0.000 1.430 660 A CB -0.360 18.644 19.000 0.006 0.000 1.085 660 A HN 0.328 nan 8.150 nan 0.000 0.597 661 T N 0.283 114.835 114.554 -0.002 0.000 2.962 661 T HA -0.109 4.241 4.350 -0.000 0.000 0.270 661 T C 0.943 175.637 174.700 -0.009 0.000 1.088 661 T CA 1.501 63.595 62.100 -0.010 0.000 1.127 661 T CB -0.345 68.519 68.868 -0.006 0.000 0.883 661 T HN 0.695 nan 8.240 nan 0.000 0.493 662 N N 1.377 120.076 118.700 -0.002 0.000 2.678 662 N HA 0.316 5.056 4.740 -0.000 0.000 0.231 662 N C -1.079 174.440 175.510 0.016 0.000 1.038 662 N CA -0.282 52.772 53.050 0.005 0.000 0.932 662 N CB 0.652 39.139 38.487 0.000 0.000 1.176 662 N HN -0.102 nan 8.380 nan 0.000 0.511 663 V N 5.124 125.060 119.914 0.036 0.000 2.454 663 V HA 0.346 4.466 4.120 -0.000 0.000 0.255 663 V C -1.898 174.230 176.094 0.057 0.000 1.009 663 V CA -1.017 61.303 62.300 0.033 0.000 1.149 663 V CB 0.049 31.877 31.823 0.007 0.000 1.418 663 V HN 0.616 nan 8.190 nan 0.000 0.567 664 P HA 0.532 nan 4.420 nan 0.000 0.282 664 P C -0.389 176.895 177.300 -0.026 0.000 1.287 664 P CA -0.395 62.737 63.100 0.053 0.000 0.792 664 P CB 2.371 34.093 31.700 0.036 0.000 1.163 665 I N -1.078 119.454 120.570 -0.063 0.000 3.174 665 I HA 0.239 4.409 4.170 -0.000 0.000 0.313 665 I C -0.835 175.215 176.117 -0.112 0.000 1.155 665 I CA -1.145 60.060 61.300 -0.159 0.000 0.977 665 I CB 2.378 40.146 38.000 -0.387 0.000 1.248 665 I HN 0.299 nan 8.210 nan 0.000 0.453 666 S N 5.353 120.980 115.700 -0.121 0.000 2.434 666 S HA 0.584 5.054 4.470 -0.000 0.000 0.318 666 S C -0.513 174.045 174.600 -0.068 0.000 1.062 666 S CA -0.574 57.585 58.200 -0.069 0.000 1.116 666 S CB 0.044 63.216 63.200 -0.046 0.000 0.977 666 S HN 0.342 nan 8.310 nan 0.000 0.480 667 I N 3.202 123.738 120.570 -0.057 0.000 2.603 667 I HA 0.419 4.589 4.170 -0.000 0.000 0.300 667 I C -2.087 174.031 176.117 0.000 0.000 1.017 667 I CA -2.652 58.621 61.300 -0.045 0.000 1.098 667 I CB 2.205 40.151 38.000 -0.089 0.000 1.279 667 I HN 0.360 nan 8.210 nan 0.000 0.437 668 P HA 0.123 nan 4.420 nan 0.000 0.306 668 P C -0.968 176.452 177.300 0.200 0.000 1.301 668 P CA -0.284 62.858 63.100 0.069 0.000 0.744 668 P CB 0.363 32.069 31.700 0.010 0.000 1.400 669 S N -1.917 113.834 115.700 0.085 0.000 2.549 669 S HA 0.860 5.330 4.470 -0.000 0.000 0.280 669 S C -0.525 173.858 174.600 -0.361 0.000 1.109 669 S CA -0.590 57.632 58.200 0.036 0.000 0.905 669 S CB 2.579 65.830 63.200 0.085 0.000 1.081 669 S HN 0.822 nan 8.310 nan 0.000 0.477 670 R N 0.840 120.895 120.500 -0.741 0.000 3.966 670 R HA 0.325 4.665 4.340 -0.000 0.000 0.257 670 R C -1.708 174.091 176.300 -0.834 0.000 0.915 670 R CA -0.634 55.020 56.100 -0.744 0.000 0.729 670 R CB -0.406 29.458 30.300 -0.726 0.000 1.851 670 R HN 0.607 nan 8.270 nan 0.000 0.404 671 N N 1.023 119.393 118.700 -0.551 0.000 2.868 671 N HA 0.061 4.801 4.740 -0.000 0.000 0.252 671 N C -0.331 175.153 175.510 -0.043 0.000 1.130 671 N CA -0.525 52.386 53.050 -0.232 0.000 1.026 671 N CB -0.266 38.179 38.487 -0.071 0.000 1.335 671 N HN 0.602 nan 8.380 nan 0.000 0.516 672 W N 2.724 124.164 121.300 0.234 0.000 2.329 672 W HA -0.033 4.627 4.660 -0.000 0.000 0.324 672 W C 1.583 178.357 176.519 0.424 0.000 1.222 672 W CA 0.738 58.293 57.345 0.349 0.000 1.270 672 W CB -0.559 29.066 29.460 0.276 0.000 1.167 672 W HN 0.574 nan 8.180 nan 0.000 0.467 673 A N 0.882 124.062 122.820 0.600 0.000 3.077 673 A HA 0.218 4.538 4.320 -0.000 0.000 0.295 673 A C 0.835 178.535 177.584 0.194 0.000 1.844 673 A CA 1.491 53.771 52.037 0.406 0.000 1.214 673 A CB -1.165 18.072 19.000 0.395 0.000 0.846 673 A HN 0.609 nan 8.150 nan 0.000 0.559 674 A N 1.351 124.197 122.820 0.043 0.000 2.031 674 A HA 0.269 4.589 4.320 -0.000 0.000 0.159 674 A C 0.570 177.967 177.584 -0.311 0.000 2.021 674 A CA 0.193 52.115 52.037 -0.191 0.000 1.557 674 A CB -0.751 18.109 19.000 -0.234 0.000 1.617 674 A HN 0.759 nan 8.150 nan 0.000 0.297 675 F N 1.009 120.587 119.950 -0.620 0.000 2.717 675 F HA 0.073 4.600 4.527 -0.000 0.000 0.281 675 F C 1.830 177.167 175.800 -0.773 0.000 1.181 675 F CA 1.658 59.285 58.000 -0.622 0.000 1.295 675 F CB 0.318 39.176 39.000 -0.236 0.000 1.150 675 F HN 0.353 nan 8.300 nan 0.000 0.582 676 R N -0.635 119.218 120.500 -1.079 0.000 4.379 676 R HA 0.280 4.620 4.340 -0.000 0.000 0.112 676 R C 0.226 176.101 176.300 -0.708 0.000 0.659 676 R CA 0.548 56.050 56.100 -0.997 0.000 1.167 676 R CB 0.268 29.516 30.300 -1.753 0.000 1.572 676 R HN 0.797 nan 8.270 nan 0.000 0.426 677 G N -0.874 107.279 108.800 -1.078 0.000 3.195 677 G HA2 0.405 4.365 3.960 -0.000 0.000 0.217 677 G HA3 0.405 4.365 3.960 -0.000 0.000 0.217 677 G C -1.121 173.387 174.900 -0.653 0.000 1.166 677 G CA -0.502 44.247 45.100 -0.586 0.000 0.812 677 G HN 0.195 nan 8.290 nan 0.000 0.617 678 W N -1.772 119.347 121.300 -0.303 0.000 4.080 678 W HA 0.586 5.246 4.660 -0.000 0.000 0.386 678 W C -0.372 175.976 176.519 -0.285 0.000 2.473 678 W CA 0.634 57.887 57.345 -0.153 0.000 1.272 678 W CB 0.865 30.225 29.460 -0.167 0.000 1.755 678 W HN 1.480 nan 8.180 nan 0.000 0.585 679 A N 0.704 123.426 122.820 -0.163 0.000 2.426 679 A HA 0.367 4.687 4.320 -0.000 0.000 0.666 679 A C -1.675 175.561 177.584 -0.581 0.000 0.204 679 A CA -0.274 51.472 52.037 -0.485 0.000 0.140 679 A CB -1.347 17.374 19.000 -0.465 0.000 3.836 679 A HN 1.315 nan 8.150 nan 0.000 0.535 680 F N -2.013 117.657 119.950 -0.465 0.000 2.638 680 F HA 0.619 5.146 4.527 -0.000 0.000 0.308 680 F C -0.169 175.525 175.800 -0.176 0.000 1.011 680 F CA -0.282 57.420 58.000 -0.497 0.000 0.999 680 F CB -0.654 38.346 39.000 -0.001 0.000 1.263 680 F HN 0.980 nan 8.300 nan 0.000 0.518 681 T N 1.229 116.024 114.554 0.402 0.000 2.124 681 T HA 0.587 4.937 4.350 -0.000 0.000 0.184 681 T C 0.080 174.919 174.700 0.231 0.000 0.688 681 T CA 0.657 62.934 62.100 0.295 0.000 1.680 681 T CB 0.323 69.446 68.868 0.424 0.000 3.188 681 T HN 0.791 nan 8.240 nan 0.000 0.398 682 R N 0.216 120.798 120.500 0.136 0.000 2.437 682 R HA 0.181 4.521 4.340 -0.000 0.000 0.201 682 R C -1.480 174.782 176.300 -0.063 0.000 0.911 682 R CA -0.058 56.059 56.100 0.028 0.000 1.040 682 R CB -0.382 29.934 30.300 0.027 0.000 1.264 682 R HN 0.249 nan 8.270 nan 0.000 0.696 683 L N 3.467 124.635 121.223 -0.091 0.000 2.369 683 L HA 0.239 4.579 4.340 -0.000 0.000 0.279 683 L C 0.454 177.256 176.870 -0.113 0.000 1.108 683 L CA 0.053 54.813 54.840 -0.132 0.000 0.852 683 L CB 0.484 42.459 42.059 -0.140 0.000 1.169 683 L HN 0.209 nan 8.230 nan 0.000 0.452 684 K N 1.333 121.674 120.400 -0.098 0.000 2.396 684 K HA -0.173 4.147 4.320 -0.000 0.000 0.263 684 K C 1.431 177.997 176.600 -0.057 0.000 0.983 684 K CA 1.016 57.261 56.287 -0.069 0.000 0.887 684 K CB -0.343 32.118 32.500 -0.065 0.000 0.940 684 K HN 0.726 nan 8.250 nan 0.000 0.531 685 T N -2.537 111.999 114.554 -0.031 0.000 3.113 685 T HA -0.034 4.316 4.350 -0.000 0.000 0.256 685 T C 1.314 176.018 174.700 0.006 0.000 1.131 685 T CA 0.965 63.063 62.100 -0.003 0.000 1.074 685 T CB -0.093 68.784 68.868 0.015 0.000 0.944 685 T HN 0.640 nan 8.240 nan 0.000 0.516 686 K N 1.952 122.323 120.400 -0.049 0.000 2.172 686 K HA 0.118 4.438 4.320 -0.000 0.000 0.203 686 K C 1.271 177.762 176.600 -0.182 0.000 1.040 686 K CA 0.328 56.542 56.287 -0.122 0.000 0.974 686 K CB 0.094 32.508 32.500 -0.143 0.000 0.857 686 K HN 0.241 nan 8.250 nan 0.000 0.464 687 E N 1.665 121.708 120.200 -0.261 0.000 2.424 687 E HA 0.046 4.396 4.350 -0.000 0.000 0.237 687 E C -0.860 175.713 176.600 -0.045 0.000 1.381 687 E CA 0.078 56.317 56.400 -0.269 0.000 1.587 687 E CB 0.429 29.950 29.700 -0.298 0.000 1.398 687 E HN 0.121 nan 8.360 nan 0.000 0.439 688 T N 2.900 117.512 114.554 0.096 0.000 3.103 688 T HA 0.211 4.561 4.350 -0.000 0.000 0.352 688 T C -2.741 171.969 174.700 0.016 0.000 1.048 688 T CA -1.340 60.763 62.100 0.004 0.000 1.175 688 T CB 1.423 70.277 68.868 -0.024 0.000 1.029 688 T HN 0.023 nan 8.240 nan 0.000 0.498 689 P HA 0.436 nan 4.420 nan 0.000 0.262 689 P C 0.090 177.220 177.300 -0.283 0.000 1.579 689 P CA -0.464 62.270 63.100 -0.609 0.000 1.111 689 P CB 1.054 31.764 31.700 -1.650 0.000 1.386 690 S N 2.083 117.711 115.700 -0.120 0.000 2.525 690 S HA -0.056 4.414 4.470 -0.000 0.000 0.282 690 S C 1.276 175.838 174.600 -0.063 0.000 1.324 690 S CA 0.285 58.441 58.200 -0.073 0.000 1.025 690 S CB 0.095 63.275 63.200 -0.034 0.000 0.820 690 S HN 0.312 nan 8.310 nan 0.000 0.514 691 L N 2.055 123.261 121.223 -0.027 0.000 2.701 691 L HA 0.404 4.744 4.340 -0.000 0.000 0.238 691 L C 1.957 178.853 176.870 0.042 0.000 1.106 691 L CA 0.490 55.345 54.840 0.025 0.000 0.898 691 L CB -0.384 41.684 42.059 0.016 0.000 1.188 691 L HN 0.673 nan 8.230 nan 0.000 0.508 692 G N -1.313 107.494 108.800 0.012 0.000 3.233 692 G HA2 0.125 4.085 3.960 -0.000 0.000 0.234 692 G HA3 0.125 4.085 3.960 -0.000 0.000 0.234 692 G C 0.336 175.236 174.900 0.000 0.000 1.137 692 G CA 0.068 45.170 45.100 0.003 0.000 0.763 692 G HN 0.151 nan 8.290 nan 0.000 0.549 693 S N 0.410 116.116 115.700 0.009 0.000 2.406 693 S HA 0.511 4.981 4.470 -0.000 0.000 0.224 693 S C 1.407 176.036 174.600 0.048 0.000 1.426 693 S CA -0.265 57.940 58.200 0.009 0.000 1.179 693 S CB 0.721 63.915 63.200 -0.009 0.000 1.042 693 S HN 0.407 nan 8.310 nan 0.000 0.479 694 G N 2.065 110.908 108.800 0.071 0.000 2.768 694 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.181 694 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.181 694 G C 0.257 175.270 174.900 0.188 0.000 1.477 694 G CA 0.485 45.677 45.100 0.153 0.000 0.826 694 G HN 0.649 nan 8.290 nan 0.000 0.600 695 Y N 2.765 123.028 120.300 -0.061 0.000 2.828 695 Y HA 0.159 4.709 4.550 -0.000 0.000 0.364 695 Y C 0.026 175.888 175.900 -0.063 0.000 1.277 695 Y CA -1.088 56.871 58.100 -0.234 0.000 1.713 695 Y CB -0.671 37.510 38.460 -0.465 0.000 1.278 695 Y HN 0.102 nan 8.280 nan 0.000 0.502 696 D N 8.927 129.288 120.400 -0.064 0.000 2.416 696 D HA 0.108 4.747 4.640 -0.000 0.000 0.240 696 D C -1.730 174.479 176.300 -0.152 0.000 1.250 696 D CA -1.575 52.389 54.000 -0.061 0.000 0.967 696 D CB 1.145 41.967 40.800 0.036 0.000 1.059 696 D HN 0.389 nan 8.370 nan 0.000 0.512 697 P HA -0.035 nan 4.420 nan 0.000 0.218 697 P C 1.290 178.597 177.300 0.012 0.000 1.151 697 P CA 0.306 63.265 63.100 -0.235 0.000 0.850 697 P CB 0.158 31.667 31.700 -0.319 0.000 0.801 698 Y N -1.515 118.745 120.300 -0.067 0.000 2.716 698 Y HA -0.075 4.475 4.550 -0.000 0.000 0.302 698 Y C 0.391 176.320 175.900 0.048 0.000 1.160 698 Y CA 0.299 58.391 58.100 -0.014 0.000 1.362 698 Y CB -0.273 38.185 38.460 -0.003 0.000 0.988 698 Y HN -0.086 nan 8.280 nan 0.000 0.546 699 Y N 1.067 121.384 120.300 0.029 0.000 2.686 699 Y HA 0.235 4.785 4.550 -0.000 0.000 0.331 699 Y C -0.250 175.664 175.900 0.023 0.000 0.996 699 Y CA -1.270 56.842 58.100 0.020 0.000 1.293 699 Y CB 0.255 38.729 38.460 0.023 0.000 1.092 699 Y HN -0.059 nan 8.280 nan 0.000 0.524 700 T N 2.587 116.958 114.554 -0.305 0.000 2.910 700 T HA 0.450 4.800 4.350 -0.000 0.000 0.323 700 T C -1.169 173.370 174.700 -0.268 0.000 1.091 700 T CA -0.464 61.510 62.100 -0.209 0.000 0.960 700 T CB -0.021 68.769 68.868 -0.131 0.000 1.024 700 T HN 0.649 nan 8.240 nan 0.000 0.509 701 Y N 1.759 121.795 120.300 -0.440 0.000 2.288 701 Y HA 0.393 4.943 4.550 -0.000 0.000 0.319 701 Y C -1.178 174.686 175.900 -0.061 0.000 1.349 701 Y CA -0.695 57.215 58.100 -0.316 0.000 1.287 701 Y CB 0.966 39.115 38.460 -0.517 0.000 1.296 701 Y HN 0.665 nan 8.280 nan 0.000 0.431 702 S N 4.734 120.374 115.700 -0.100 0.000 2.259 702 S HA 0.807 5.277 4.470 -0.000 0.000 0.181 702 S C -0.496 174.029 174.600 -0.125 0.000 1.589 702 S CA 0.467 58.684 58.200 0.028 0.000 1.234 702 S CB 0.088 63.294 63.200 0.009 0.000 1.119 702 S HN 1.233 nan 8.310 nan 0.000 0.458 703 G N 0.856 109.676 108.800 0.033 0.000 3.085 703 G HA2 0.525 4.485 3.960 -0.000 0.000 0.264 703 G HA3 0.525 4.485 3.960 -0.000 0.000 0.264 703 G C -1.117 173.903 174.900 0.201 0.000 1.206 703 G CA -0.611 44.505 45.100 0.027 0.000 0.809 703 G HN 0.457 nan 8.290 nan 0.000 0.592 704 S N 0.344 116.147 115.700 0.170 0.000 2.416 704 S HA 0.398 4.868 4.470 -0.000 0.000 0.302 704 S C 0.173 174.831 174.600 0.095 0.000 1.120 704 S CA -0.402 57.852 58.200 0.090 0.000 1.067 704 S CB -0.866 62.361 63.200 0.046 0.000 1.057 704 S HN 0.352 nan 8.310 nan 0.000 0.518 705 I N 6.651 127.242 120.570 0.034 0.000 2.664 705 I HA 0.370 4.540 4.170 -0.000 0.000 0.308 705 I C -1.368 174.669 176.117 -0.134 0.000 0.984 705 I CA -2.539 58.756 61.300 -0.008 0.000 1.213 705 I CB 2.254 40.265 38.000 0.019 0.000 1.379 705 I HN 0.444 nan 8.210 nan 0.000 0.501 706 P HA -0.121 nan 4.420 nan 0.000 0.224 706 P C 1.395 178.509 177.300 -0.309 0.000 1.159 706 P CA 0.847 63.566 63.100 -0.636 0.000 0.824 706 P CB 0.098 31.358 31.700 -0.734 0.000 0.833 707 Y N 1.816 122.077 120.300 -0.065 0.000 2.173 707 Y HA -0.165 4.385 4.550 -0.000 0.000 0.282 707 Y C 1.619 177.584 175.900 0.109 0.000 1.192 707 Y CA 1.806 59.967 58.100 0.101 0.000 1.176 707 Y CB -0.674 37.787 38.460 0.002 0.000 0.969 707 Y HN -0.142 nan 8.280 nan 0.000 0.519 708 L N -1.506 119.870 121.223 0.255 0.000 3.519 708 L HA 0.312 4.652 4.340 -0.000 0.000 0.323 708 L C -0.782 176.127 176.870 0.065 0.000 1.289 708 L CA 0.018 54.970 54.840 0.186 0.000 1.039 708 L CB 0.782 42.930 42.059 0.148 0.000 1.438 708 L HN -0.141 nan 8.230 nan 0.000 0.619 709 D N 0.505 120.872 120.400 -0.056 0.000 2.668 709 D HA 0.317 4.957 4.640 -0.000 0.000 0.247 709 D C 1.278 177.314 176.300 -0.440 0.000 1.268 709 D CA 0.011 53.894 54.000 -0.196 0.000 0.842 709 D CB 0.760 41.431 40.800 -0.214 0.000 1.399 709 D HN 0.179 nan 8.370 nan 0.000 0.530 710 G N 2.596 111.215 108.800 -0.301 0.000 2.426 710 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.327 710 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.327 710 G C 0.842 175.391 174.900 -0.586 0.000 0.809 710 G CA 1.265 46.167 45.100 -0.331 0.000 0.830 710 G HN 0.696 nan 8.290 nan 0.000 0.500 711 T N -2.168 111.936 114.554 -0.751 0.000 3.540 711 T HA 0.544 4.894 4.350 -0.000 0.000 0.269 711 T C -0.056 174.557 174.700 -0.144 0.000 1.481 711 T CA -0.865 61.036 62.100 -0.331 0.000 1.224 711 T CB -0.459 68.297 68.868 -0.187 0.000 1.192 711 T HN 0.121 nan 8.240 nan 0.000 0.756 712 F N 3.589 123.702 119.950 0.272 0.000 2.344 712 F HA 0.316 4.843 4.527 -0.000 0.000 0.344 712 F C 0.441 176.334 175.800 0.155 0.000 1.140 712 F CA -1.879 56.216 58.000 0.158 0.000 1.256 712 F CB 0.041 39.010 39.000 -0.053 0.000 1.573 712 F HN 0.483 nan 8.300 nan 0.000 0.547 713 Y N -1.479 118.830 120.300 0.015 0.000 2.444 713 Y HA 0.441 4.991 4.550 -0.000 0.000 0.249 713 Y C 0.542 176.279 175.900 -0.271 0.000 1.134 713 Y CA -0.614 57.452 58.100 -0.056 0.000 1.261 713 Y CB -0.694 37.799 38.460 0.055 0.000 1.143 713 Y HN 0.248 nan 8.280 nan 0.000 0.523 714 L N 1.615 122.610 121.223 -0.380 0.000 2.928 714 L HA 0.241 4.581 4.340 -0.000 0.000 0.246 714 L C 0.487 177.185 176.870 -0.288 0.000 1.239 714 L CA -0.015 54.624 54.840 -0.334 0.000 1.035 714 L CB -0.119 41.779 42.059 -0.267 0.000 1.360 714 L HN 0.157 nan 8.230 nan 0.000 0.529 715 N N -0.815 117.527 118.700 -0.597 0.000 2.515 715 N HA -0.054 4.686 4.740 -0.000 0.000 0.191 715 N C 0.767 176.087 175.510 -0.316 0.000 1.182 715 N CA 0.507 53.349 53.050 -0.345 0.000 0.879 715 N CB -0.088 38.072 38.487 -0.544 0.000 0.984 715 N HN 0.426 nan 8.380 nan 0.000 0.453 716 H N -0.644 118.368 119.070 -0.096 0.000 2.672 716 H HA 0.155 4.711 4.556 -0.000 0.000 0.277 716 H C 0.374 175.884 175.328 0.304 0.000 1.074 716 H CA 0.006 55.952 56.048 -0.170 0.000 1.173 716 H CB -0.136 29.379 29.762 -0.410 0.000 1.558 716 H HN 0.129 nan 8.280 nan 0.000 0.539 717 T N -0.872 113.951 114.554 0.449 0.000 3.389 717 T HA 0.374 4.724 4.350 -0.000 0.000 0.238 717 T C -0.394 174.643 174.700 0.561 0.000 1.178 717 T CA -0.357 61.997 62.100 0.423 0.000 1.117 717 T CB -0.995 68.021 68.868 0.246 0.000 1.177 717 T HN -0.132 nan 8.240 nan 0.000 0.653 718 F N 0.578 120.685 119.950 0.262 0.000 2.540 718 F HA 0.595 5.122 4.527 -0.000 0.000 0.317 718 F C 0.971 176.909 175.800 0.230 0.000 1.104 718 F CA -1.783 56.368 58.000 0.251 0.000 0.913 718 F CB 2.702 41.877 39.000 0.291 0.000 1.170 718 F HN 0.051 nan 8.300 nan 0.000 0.450 719 K N 1.258 121.789 120.400 0.217 0.000 2.350 719 K HA 0.310 4.630 4.320 -0.000 0.000 0.196 719 K C -0.475 176.209 176.600 0.141 0.000 1.084 719 K CA 0.651 57.029 56.287 0.150 0.000 0.967 719 K CB 0.581 33.119 32.500 0.065 0.000 0.950 719 K HN 0.565 nan 8.250 nan 0.000 0.512 720 K N -1.159 119.319 120.400 0.130 0.000 2.735 720 K HA 0.301 4.621 4.320 -0.000 0.000 0.295 720 K C -1.545 175.075 176.600 0.033 0.000 1.052 720 K CA -0.884 55.458 56.287 0.092 0.000 0.853 720 K CB 1.799 34.283 32.500 -0.026 0.000 1.535 720 K HN -0.253 nan 8.250 nan 0.000 0.383 721 V N -0.122 119.723 119.914 -0.115 0.000 3.126 721 V HA 0.921 5.041 4.120 -0.000 0.000 0.314 721 V C -1.513 174.222 176.094 -0.598 0.000 1.138 721 V CA -0.447 61.516 62.300 -0.562 0.000 1.034 721 V CB 1.950 33.544 31.823 -0.382 0.000 1.075 721 V HN 1.008 nan 8.190 nan 0.000 0.442 722 A N 3.100 125.365 122.820 -0.926 0.000 2.562 722 A HA 0.746 5.066 4.320 -0.000 0.000 0.305 722 A C -1.701 175.702 177.584 -0.302 0.000 1.059 722 A CA -0.311 51.528 52.037 -0.331 0.000 0.835 722 A CB 0.693 19.551 19.000 -0.237 0.000 1.299 722 A HN 0.689 nan 8.150 nan 0.000 0.392 723 I N 1.678 122.226 120.570 -0.038 0.000 2.571 723 I HA 0.554 4.724 4.170 -0.000 0.000 0.289 723 I C 0.038 176.310 176.117 0.257 0.000 1.115 723 I CA -0.455 60.840 61.300 -0.009 0.000 1.045 723 I CB 2.661 40.528 38.000 -0.221 0.000 1.238 723 I HN 0.545 nan 8.210 nan 0.000 0.424 724 T N 3.510 118.171 114.554 0.178 0.000 2.952 724 T HA 0.616 4.966 4.350 -0.000 0.000 0.286 724 T C 0.290 175.146 174.700 0.260 0.000 1.024 724 T CA -0.278 62.019 62.100 0.329 0.000 1.029 724 T CB 1.749 70.719 68.868 0.169 0.000 1.094 724 T HN 0.353 nan 8.240 nan 0.000 0.515 725 F N 0.085 120.055 119.950 0.033 0.000 2.376 725 F HA 0.257 4.784 4.527 -0.000 0.000 0.234 725 F C 1.023 176.820 175.800 -0.004 0.000 1.010 725 F CA -0.713 57.279 58.000 -0.013 0.000 1.100 725 F CB 0.164 39.163 39.000 -0.002 0.000 1.360 725 F HN 0.399 nan 8.300 nan 0.000 0.649 726 D N 0.723 121.266 120.400 0.237 0.000 2.870 726 D HA 0.103 4.743 4.640 -0.000 0.000 0.241 726 D C 0.524 176.884 176.300 0.101 0.000 1.234 726 D CA 0.301 54.382 54.000 0.135 0.000 0.844 726 D CB 0.070 40.923 40.800 0.089 0.000 1.051 726 D HN 0.262 nan 8.370 nan 0.000 0.469 727 S N -0.924 114.836 115.700 0.100 0.000 3.419 727 S HA -0.319 4.151 4.470 -0.000 0.000 0.350 727 S C 0.983 175.618 174.600 0.058 0.000 1.128 727 S CA 1.370 59.611 58.200 0.069 0.000 0.999 727 S CB -1.283 61.949 63.200 0.052 0.000 0.923 727 S HN 0.313 nan 8.310 nan 0.000 0.522 728 S N -2.432 113.309 115.700 0.068 0.000 1.773 728 S HA 0.099 4.569 4.470 -0.000 0.000 0.203 728 S C 0.152 174.775 174.600 0.037 0.000 0.762 728 S CA 0.271 58.496 58.200 0.041 0.000 1.503 728 S CB 0.165 63.383 63.200 0.031 0.000 0.926 728 S HN 0.566 nan 8.310 nan 0.000 0.380 729 V N 4.494 124.444 119.914 0.060 0.000 3.226 729 V HA 0.159 4.279 4.120 -0.000 0.000 0.385 729 V C 0.860 176.972 176.094 0.029 0.000 1.268 729 V CA 0.565 62.881 62.300 0.027 0.000 1.443 729 V CB -0.638 31.198 31.823 0.022 0.000 1.290 729 V HN 0.614 nan 8.190 nan 0.000 0.490 730 S N 0.754 116.491 115.700 0.063 0.000 3.716 730 S HA 0.001 4.471 4.470 -0.000 0.000 0.254 730 S C -0.158 174.403 174.600 -0.066 0.000 1.209 730 S CA -0.681 57.588 58.200 0.115 0.000 1.026 730 S CB -0.688 62.561 63.200 0.081 0.000 1.625 730 S HN 0.612 nan 8.310 nan 0.000 0.500 731 W N 4.930 125.868 121.300 -0.602 0.000 2.123 731 W HA 0.265 4.925 4.660 -0.000 0.000 0.351 731 W C -1.711 174.620 176.519 -0.312 0.000 1.292 731 W CA -1.346 55.625 57.345 -0.623 0.000 1.263 731 W CB 0.156 28.950 29.460 -1.111 0.000 1.165 731 W HN 0.363 nan 8.180 nan 0.000 0.590 732 P HA 0.139 nan 4.420 nan 0.000 0.212 732 P C 0.238 176.985 177.300 -0.921 0.000 1.180 732 P CA 2.002 63.902 63.100 -2.000 0.000 0.770 732 P CB -0.161 30.622 31.700 -1.527 0.000 0.568 733 G N -2.062 106.376 108.800 -0.605 0.000 2.306 733 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.262 733 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.262 733 G C -0.747 174.027 174.900 -0.210 0.000 1.263 733 G CA -0.026 44.898 45.100 -0.294 0.000 1.088 733 G HN 0.395 nan 8.290 nan 0.000 0.489 734 N N 0.750 119.393 118.700 -0.096 0.000 2.677 734 N HA -0.223 4.517 4.740 -0.000 0.000 0.249 734 N C 0.750 176.211 175.510 -0.083 0.000 1.073 734 N CA 2.279 55.299 53.050 -0.049 0.000 0.737 734 N CB -0.708 37.792 38.487 0.021 0.000 0.999 734 N HN 1.083 nan 8.380 nan 0.000 0.543 735 D N -1.705 118.621 120.400 -0.124 0.000 4.242 735 D HA -0.270 4.370 4.640 -0.000 0.000 0.179 735 D C 1.170 177.360 176.300 -0.182 0.000 0.932 735 D CA 2.193 56.115 54.000 -0.130 0.000 2.179 735 D CB -1.004 39.745 40.800 -0.085 0.000 1.139 735 D HN 0.311 nan 8.370 nan 0.000 0.438 736 R N -0.459 119.944 120.500 -0.162 0.000 2.355 736 R HA -0.252 4.088 4.340 -0.000 0.000 0.086 736 R C 0.935 177.112 176.300 -0.205 0.000 0.762 736 R CA 2.307 58.295 56.100 -0.187 0.000 0.375 736 R CB -1.277 28.846 30.300 -0.295 0.000 0.585 736 R HN 0.534 nan 8.270 nan 0.000 0.254 737 L N -0.063 120.999 121.223 -0.268 0.000 2.350 737 L HA 0.219 4.559 4.340 -0.000 0.000 0.260 737 L C 1.248 177.991 176.870 -0.211 0.000 1.015 737 L CA -0.776 53.912 54.840 -0.253 0.000 0.821 737 L CB 1.721 43.559 42.059 -0.368 0.000 1.370 737 L HN -0.069 nan 8.230 nan 0.000 0.416 738 L N 0.629 121.754 121.223 -0.163 0.000 2.093 738 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 738 L C 0.810 177.588 176.870 -0.153 0.000 1.085 738 L CA 1.507 56.277 54.840 -0.117 0.000 0.755 738 L CB -0.872 41.157 42.059 -0.051 0.000 0.904 738 L HN 0.639 nan 8.230 nan 0.000 0.435 739 T N -0.694 113.727 114.554 -0.220 0.000 3.060 739 T HA 0.302 4.652 4.350 -0.000 0.000 0.367 739 T C -1.961 172.486 174.700 -0.421 0.000 1.229 739 T CA -1.218 60.717 62.100 -0.274 0.000 1.104 739 T CB 1.766 70.476 68.868 -0.264 0.000 1.083 739 T HN 0.039 nan 8.240 nan 0.000 0.524 740 P HA 0.100 nan 4.420 nan 0.000 0.255 740 P C 0.443 177.400 177.300 -0.572 0.000 1.248 740 P CA 0.107 62.885 63.100 -0.537 0.000 0.807 740 P CB 0.405 31.852 31.700 -0.422 0.000 1.150 741 N N -0.161 118.260 118.700 -0.464 0.000 2.482 741 N HA 0.026 4.766 4.740 -0.000 0.000 0.179 741 N C 0.744 176.011 175.510 -0.405 0.000 1.039 741 N CA 0.278 53.123 53.050 -0.342 0.000 0.884 741 N CB 0.549 38.912 38.487 -0.206 0.000 1.113 741 N HN 0.268 nan 8.380 nan 0.000 0.440 742 E N -0.582 119.319 120.200 -0.499 0.000 2.264 742 E HA 0.379 4.729 4.350 -0.000 0.000 0.260 742 E C -1.078 175.099 176.600 -0.705 0.000 0.961 742 E CA -0.624 55.545 56.400 -0.385 0.000 0.834 742 E CB 1.231 30.802 29.700 -0.215 0.000 1.230 742 E HN -0.061 nan 8.360 nan 0.000 0.412 743 F N 0.379 120.105 119.950 -0.373 0.000 2.815 743 F HA 0.262 4.789 4.527 -0.000 0.000 0.335 743 F C -0.299 175.285 175.800 -0.360 0.000 1.179 743 F CA -0.665 57.061 58.000 -0.458 0.000 1.204 743 F CB -0.176 38.378 39.000 -0.743 0.000 1.050 743 F HN 0.369 nan 8.300 nan 0.000 0.510 744 E N 1.817 121.975 120.200 -0.069 0.000 3.375 744 E HA -0.154 4.196 4.350 -0.000 0.000 0.315 744 E C 0.769 177.452 176.600 0.140 0.000 0.905 744 E CA 0.706 57.113 56.400 0.011 0.000 1.015 744 E CB 0.478 30.151 29.700 -0.046 0.000 1.061 744 E HN 0.260 nan 8.360 nan 0.000 0.491 745 I N -1.024 119.689 120.570 0.238 0.000 4.442 745 I HA 0.318 4.488 4.170 -0.000 0.000 0.331 745 I C 0.439 176.729 176.117 0.287 0.000 1.364 745 I CA 0.109 61.610 61.300 0.336 0.000 1.207 745 I CB -0.288 37.988 38.000 0.460 0.000 1.298 745 I HN 0.378 nan 8.210 nan 0.000 0.463 746 K N 0.844 121.357 120.400 0.187 0.000 2.007 746 K HA 0.716 5.036 4.320 -0.000 0.000 0.251 746 K C -0.562 176.051 176.600 0.022 0.000 0.799 746 K CA -0.452 55.906 56.287 0.119 0.000 0.656 746 K CB 2.265 34.855 32.500 0.151 0.000 1.646 746 K HN -0.133 nan 8.250 nan 0.000 0.479 747 R N -1.147 119.353 120.500 -0.000 0.000 3.574 747 R HA 0.248 4.588 4.340 -0.000 0.000 0.259 747 R C -1.544 174.741 176.300 -0.026 0.000 0.963 747 R CA -0.781 55.285 56.100 -0.056 0.000 0.804 747 R CB 0.975 31.213 30.300 -0.104 0.000 1.680 747 R HN 0.414 nan 8.270 nan 0.000 0.407 748 S N 0.889 116.568 115.700 -0.035 0.000 2.653 748 S HA 0.431 4.901 4.470 -0.000 0.000 0.272 748 S C 0.491 175.084 174.600 -0.010 0.000 1.221 748 S CA 0.133 58.325 58.200 -0.014 0.000 1.149 748 S CB 0.058 63.249 63.200 -0.015 0.000 1.029 748 S HN 0.527 nan 8.310 nan 0.000 0.481 749 V N 1.986 121.898 119.914 -0.003 0.000 0.648 749 V HA -0.316 3.804 4.120 -0.000 0.000 0.092 749 V C 1.135 177.230 176.094 0.001 0.000 1.340 749 V CA 1.821 64.119 62.300 -0.002 0.000 3.233 749 V CB -2.113 29.709 31.823 -0.002 0.000 0.475 749 V HN 0.875 nan 8.190 nan 0.000 0.473 750 D N 1.970 122.373 120.400 0.005 0.000 2.349 750 D HA 0.387 5.027 4.640 -0.000 0.000 0.239 750 D C 1.135 177.452 176.300 0.028 0.000 1.315 750 D CA 1.305 55.320 54.000 0.025 0.000 0.937 750 D CB 1.169 41.989 40.800 0.033 0.000 1.133 750 D HN 1.888 nan 8.370 nan 0.000 0.489 751 G N 0.339 109.200 108.800 0.100 0.000 2.227 751 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.168 751 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.168 751 G C 0.728 175.787 174.900 0.265 0.000 1.006 751 G CA 0.376 45.560 45.100 0.140 0.000 0.684 751 G HN 0.537 nan 8.290 nan 0.000 0.489 752 E N 0.975 121.268 120.200 0.155 0.000 2.401 752 E HA -0.023 4.327 4.350 -0.000 0.000 0.199 752 E C 2.318 178.975 176.600 0.095 0.000 1.023 752 E CA 0.948 57.410 56.400 0.103 0.000 0.859 752 E CB -0.476 29.255 29.700 0.051 0.000 0.780 752 E HN 0.598 nan 8.360 nan 0.000 0.523 753 G N 0.164 109.044 108.800 0.133 0.000 2.484 753 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.218 753 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.218 753 G C 0.884 175.651 174.900 -0.223 0.000 1.130 753 G CA 0.578 45.613 45.100 -0.109 0.000 0.784 753 G HN 0.255 nan 8.290 nan 0.000 0.543 754 Y N -0.887 119.394 120.300 -0.032 0.000 2.652 754 Y HA 0.299 4.849 4.550 -0.000 0.000 0.275 754 Y C 0.685 176.567 175.900 -0.030 0.000 1.133 754 Y CA -1.689 56.383 58.100 -0.046 0.000 1.246 754 Y CB -0.796 37.635 38.460 -0.049 0.000 1.334 754 Y HN -0.083 nan 8.280 nan 0.000 0.493 755 N N 2.760 121.590 118.700 0.216 0.000 2.377 755 N HA 0.057 4.797 4.740 -0.000 0.000 0.299 755 N C 0.193 175.776 175.510 0.122 0.000 1.251 755 N CA 0.450 53.581 53.050 0.134 0.000 1.130 755 N CB -0.531 38.015 38.487 0.099 0.000 1.487 755 N HN 0.142 nan 8.380 nan 0.000 0.490 756 V N 1.024 121.028 119.914 0.151 0.000 2.716 756 V HA -0.392 3.728 4.120 -0.000 0.000 0.156 756 V C 1.287 177.483 176.094 0.171 0.000 2.614 756 V CA 1.209 63.642 62.300 0.221 0.000 2.203 756 V CB -0.016 32.002 31.823 0.324 0.000 1.074 756 V HN 0.696 nan 8.190 nan 0.000 0.480 757 A N 2.281 125.232 122.820 0.219 0.000 2.259 757 A HA 0.184 4.504 4.320 -0.000 0.000 0.212 757 A C 0.924 178.572 177.584 0.106 0.000 1.178 757 A CA 1.697 53.822 52.037 0.147 0.000 0.734 757 A CB -0.437 18.660 19.000 0.161 0.000 0.774 757 A HN 1.593 nan 8.150 nan 0.000 0.481 758 Q N -2.371 117.499 119.800 0.117 0.000 2.793 758 Q HA 0.069 4.409 4.340 -0.000 0.000 0.215 758 Q C -1.119 174.944 176.000 0.105 0.000 0.727 758 Q CA 0.428 56.282 55.803 0.086 0.000 0.916 758 Q CB -1.239 27.534 28.738 0.059 0.000 0.724 758 Q HN 0.771 nan 8.270 nan 0.000 0.473 759 C N -1.215 118.148 119.300 0.105 0.000 3.253 759 C HA 0.520 4.980 4.460 -0.000 0.000 0.362 759 C C 1.359 176.359 174.990 0.017 0.000 1.487 759 C CA -0.378 58.691 59.018 0.085 0.000 1.179 759 C CB 0.833 28.697 27.740 0.207 0.000 1.660 759 C HN 0.679 nan 8.230 nan 0.000 0.438 760 N N 0.566 119.197 118.700 -0.116 0.000 2.368 760 N HA -0.045 4.695 4.740 -0.000 0.000 0.176 760 N C 0.747 176.283 175.510 0.045 0.000 1.021 760 N CA 0.359 53.359 53.050 -0.083 0.000 0.888 760 N CB -0.095 38.273 38.487 -0.199 0.000 0.995 760 N HN 0.783 nan 8.380 nan 0.000 0.437 761 M N 3.478 123.161 119.600 0.139 0.000 2.261 761 M HA -0.043 4.437 4.480 -0.000 0.000 0.350 761 M C 0.533 176.961 176.300 0.214 0.000 1.343 761 M CA 0.506 55.949 55.300 0.239 0.000 1.003 761 M CB 0.558 33.364 32.600 0.343 0.000 1.848 761 M HN 0.255 nan 8.290 nan 0.000 0.456 762 T N 2.966 117.620 114.554 0.168 0.000 2.698 762 T HA 0.187 4.537 4.350 -0.000 0.000 0.295 762 T C 0.553 175.336 174.700 0.139 0.000 1.007 762 T CA -0.334 61.846 62.100 0.134 0.000 0.980 762 T CB 0.431 69.348 68.868 0.081 0.000 1.036 762 T HN 0.741 nan 8.240 nan 0.000 0.526 763 K N 0.718 121.086 120.400 -0.053 0.000 2.743 763 K HA 0.141 4.461 4.320 -0.000 0.000 0.219 763 K C 0.389 176.804 176.600 -0.307 0.000 1.003 763 K CA 0.088 56.046 56.287 -0.549 0.000 1.156 763 K CB -0.344 31.685 32.500 -0.785 0.000 0.932 763 K HN 0.554 nan 8.250 nan 0.000 0.490 764 D N -0.290 120.140 120.400 0.050 0.000 2.041 764 D HA -0.111 4.529 4.640 -0.000 0.000 0.263 764 D C 0.771 177.231 176.300 0.266 0.000 1.038 764 D CA 0.501 54.555 54.000 0.091 0.000 0.903 764 D CB -0.020 40.813 40.800 0.054 0.000 1.013 764 D HN 0.224 nan 8.370 nan 0.000 0.408 765 W N 1.625 122.970 121.300 0.075 0.000 2.617 765 W HA -0.140 4.520 4.660 -0.000 0.000 0.274 765 W C 0.136 176.720 176.519 0.109 0.000 1.199 765 W CA 0.142 57.495 57.345 0.012 0.000 1.173 765 W CB -1.276 28.086 29.460 -0.163 0.000 1.145 765 W HN 0.003 nan 8.180 nan 0.000 0.602 766 F N 0.641 120.723 119.950 0.221 0.000 2.286 766 F HA -0.337 4.190 4.527 -0.000 0.000 0.202 766 F C 2.525 178.432 175.800 0.177 0.000 0.927 766 F CA 1.900 59.996 58.000 0.160 0.000 1.078 766 F CB -1.101 37.976 39.000 0.128 0.000 1.382 766 F HN -0.104 nan 8.300 nan 0.000 0.550 767 L N -0.013 121.372 121.223 0.270 0.000 2.351 767 L HA -0.142 4.198 4.340 -0.000 0.000 0.220 767 L C 1.598 178.638 176.870 0.283 0.000 1.127 767 L CA 1.145 56.144 54.840 0.265 0.000 0.786 767 L CB -0.763 41.551 42.059 0.424 0.000 0.914 767 L HN 0.377 nan 8.230 nan 0.000 0.443 768 V N -0.752 119.326 119.914 0.274 0.000 2.285 768 V HA -0.411 3.709 4.120 -0.000 0.000 0.259 768 V C 1.495 177.698 176.094 0.182 0.000 1.088 768 V CA 2.167 64.585 62.300 0.198 0.000 1.098 768 V CB -1.454 30.493 31.823 0.206 0.000 0.738 768 V HN 0.698 nan 8.190 nan 0.000 0.461 769 Q N -0.727 119.180 119.800 0.178 0.000 3.181 769 Q HA 0.523 4.863 4.340 -0.000 0.000 0.293 769 Q C 0.471 176.613 176.000 0.235 0.000 1.406 769 Q CA 0.465 56.343 55.803 0.125 0.000 1.026 769 Q CB 0.726 29.496 28.738 0.053 0.000 1.630 769 Q HN 0.827 nan 8.270 nan 0.000 0.553 770 M N -0.915 118.838 119.600 0.254 0.000 1.559 770 M HA 0.056 4.536 4.480 -0.000 0.000 0.296 770 M C -0.127 176.367 176.300 0.322 0.000 0.839 770 M CA 0.481 56.100 55.300 0.531 0.000 1.052 770 M CB 0.324 33.297 32.600 0.621 0.000 2.107 770 M HN 0.334 nan 8.290 nan 0.000 0.808 771 L N 0.228 121.587 121.223 0.226 0.000 2.590 771 L HA 0.549 4.889 4.340 -0.000 0.000 0.227 771 L C 1.179 178.158 176.870 0.183 0.000 1.099 771 L CA 0.793 55.733 54.840 0.166 0.000 0.872 771 L CB 0.468 42.621 42.059 0.157 0.000 1.088 771 L HN 0.356 nan 8.230 nan 0.000 0.479 772 A N -1.180 121.748 122.820 0.180 0.000 2.545 772 A HA 0.289 4.609 4.320 -0.000 0.000 0.277 772 A C 0.730 178.311 177.584 -0.007 0.000 1.301 772 A CA -0.050 52.130 52.037 0.238 0.000 0.935 772 A CB -0.244 18.974 19.000 0.363 0.000 1.093 772 A HN 0.508 nan 8.150 nan 0.000 0.519 773 N N -2.297 116.284 118.700 -0.199 0.000 2.451 773 N HA 0.067 4.807 4.740 -0.000 0.000 0.308 773 N C -0.762 174.349 175.510 -0.665 0.000 0.699 773 N CA 0.161 52.837 53.050 -0.623 0.000 1.060 773 N CB 0.492 38.240 38.487 -1.231 0.000 1.865 773 N HN 0.364 nan 8.380 nan 0.000 1.333 774 Y N 2.246 122.652 120.300 0.177 0.000 2.631 774 Y HA 0.418 4.968 4.550 -0.000 0.000 0.361 774 Y C -0.614 175.355 175.900 0.115 0.000 0.941 774 Y CA -1.182 57.021 58.100 0.171 0.000 1.327 774 Y CB -0.739 37.856 38.460 0.225 0.000 1.299 774 Y HN -0.073 nan 8.280 nan 0.000 0.578 775 N N 3.128 121.899 118.700 0.117 0.000 2.524 775 N HA -0.197 4.543 4.740 -0.000 0.000 0.329 775 N C -0.045 175.455 175.510 -0.016 0.000 1.153 775 N CA 1.479 54.569 53.050 0.067 0.000 0.804 775 N CB -0.394 38.134 38.487 0.069 0.000 1.031 775 N HN 0.839 nan 8.380 nan 0.000 0.574 776 I N -3.354 117.146 120.570 -0.116 0.000 3.670 776 I HA 0.701 4.870 4.170 -0.000 0.000 0.305 776 I C 1.121 176.911 176.117 -0.545 0.000 1.232 776 I CA -0.630 60.456 61.300 -0.358 0.000 1.251 776 I CB 0.366 37.985 38.000 -0.635 0.000 1.113 776 I HN 0.457 nan 8.210 nan 0.000 0.389 777 G N 0.188 108.404 108.800 -0.974 0.000 2.846 777 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.225 777 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.225 777 G C 0.331 174.894 174.900 -0.561 0.000 1.285 777 G CA 0.388 44.956 45.100 -0.887 0.000 1.055 777 G HN 0.920 nan 8.290 nan 0.000 0.579 778 Y N 0.758 121.052 120.300 -0.009 0.000 2.219 778 Y HA -0.120 4.430 4.550 -0.000 0.000 0.283 778 Y C 2.961 178.840 175.900 -0.035 0.000 1.191 778 Y CA 2.048 60.156 58.100 0.013 0.000 1.199 778 Y CB -0.504 37.969 38.460 0.022 0.000 0.972 778 Y HN 0.347 nan 8.280 nan 0.000 0.527 779 Q N 0.693 120.526 119.800 0.055 0.000 2.378 779 Q HA 0.213 4.553 4.340 -0.000 0.000 0.205 779 Q C 0.690 176.617 176.000 -0.122 0.000 0.954 779 Q CA 1.040 56.836 55.803 -0.013 0.000 0.901 779 Q CB 0.319 29.050 28.738 -0.012 0.000 0.981 779 Q HN 0.625 nan 8.270 nan 0.000 0.483 780 G N 0.179 108.839 108.800 -0.234 0.000 2.397 780 G HA2 0.060 4.020 3.960 -0.000 0.000 0.453 780 G HA3 0.060 4.020 3.960 -0.000 0.000 0.453 780 G C -1.593 173.024 174.900 -0.471 0.000 1.579 780 G CA -0.960 43.993 45.100 -0.246 0.000 0.906 780 G HN 0.009 nan 8.290 nan 0.000 0.675 781 F N 2.318 122.152 119.950 -0.194 0.000 2.492 781 F HA 0.897 5.424 4.527 -0.000 0.000 0.327 781 F C 0.742 176.504 175.800 -0.062 0.000 1.079 781 F CA -0.080 57.824 58.000 -0.160 0.000 0.967 781 F CB 1.922 40.912 39.000 -0.017 0.000 1.169 781 F HN 0.751 nan 8.300 nan 0.000 0.472 782 Y N 0.060 120.506 120.300 0.243 0.000 2.707 782 Y HA 0.657 5.207 4.550 -0.000 0.000 0.234 782 Y C -1.628 174.280 175.900 0.015 0.000 2.113 782 Y CA -2.145 56.007 58.100 0.087 0.000 0.971 782 Y CB 0.206 38.679 38.460 0.023 0.000 2.896 782 Y HN 0.261 nan 8.280 nan 0.000 0.340 783 I N 2.762 123.358 120.570 0.044 0.000 2.503 783 I HA 0.433 4.603 4.170 -0.000 0.000 0.282 783 I C -2.686 173.184 176.117 -0.412 0.000 1.059 783 I CA -1.870 59.259 61.300 -0.286 0.000 1.081 783 I CB 1.950 39.634 38.000 -0.528 0.000 1.210 783 I HN 0.270 nan 8.210 nan 0.000 0.450 784 P HA -0.054 nan 4.420 nan 0.000 0.267 784 P C 0.134 177.251 177.300 -0.305 0.000 1.175 784 P CA 0.357 63.323 63.100 -0.222 0.000 0.763 784 P CB 0.549 32.217 31.700 -0.053 0.000 0.795 785 E N 0.494 120.494 120.200 -0.333 0.000 2.821 785 E HA -0.071 4.279 4.350 -0.000 0.000 0.293 785 E C 1.111 177.558 176.600 -0.254 0.000 1.464 785 E CA 0.520 56.699 56.400 -0.368 0.000 1.387 785 E CB -0.068 29.313 29.700 -0.531 0.000 0.942 785 E HN 0.323 nan 8.360 nan 0.000 0.584 786 S N -1.540 114.006 115.700 -0.257 0.000 2.497 786 S HA -0.001 4.469 4.470 -0.000 0.000 0.221 786 S C 1.276 175.905 174.600 0.049 0.000 1.037 786 S CA 0.125 58.282 58.200 -0.072 0.000 0.920 786 S CB 0.152 63.350 63.200 -0.004 0.000 0.800 786 S HN 0.461 nan 8.310 nan 0.000 0.505 787 Y N -0.184 120.107 120.300 -0.015 0.000 2.449 787 Y HA 0.595 5.145 4.550 -0.000 0.000 0.254 787 Y C 1.640 177.547 175.900 0.011 0.000 1.140 787 Y CA -0.269 57.828 58.100 -0.004 0.000 1.272 787 Y CB -0.122 38.333 38.460 -0.008 0.000 1.114 787 Y HN -0.092 nan 8.280 nan 0.000 0.525 788 K N 0.838 121.213 120.400 -0.042 0.000 2.290 788 K HA 0.091 4.411 4.320 -0.000 0.000 0.225 788 K C 0.072 176.694 176.600 0.036 0.000 1.060 788 K CA 0.477 56.764 56.287 -0.000 0.000 0.903 788 K CB -0.329 32.118 32.500 -0.089 0.000 1.158 788 K HN 0.199 nan 8.250 nan 0.000 0.460 789 D N 0.946 121.330 120.400 -0.027 0.000 2.443 789 D HA 0.007 4.647 4.640 -0.000 0.000 0.234 789 D C -0.425 175.917 176.300 0.069 0.000 1.172 789 D CA 0.712 54.725 54.000 0.022 0.000 0.878 789 D CB 0.565 41.343 40.800 -0.037 0.000 1.204 789 D HN 0.058 nan 8.370 nan 0.000 0.453 790 R N 2.125 122.699 120.500 0.125 0.000 2.741 790 R HA 0.145 4.485 4.340 -0.000 0.000 0.274 790 R C 0.831 177.246 176.300 0.191 0.000 1.029 790 R CA -0.766 55.426 56.100 0.153 0.000 0.880 790 R CB -0.297 30.106 30.300 0.171 0.000 1.264 790 R HN 0.501 nan 8.270 nan 0.000 0.465 791 M N 0.292 120.021 119.600 0.215 0.000 2.192 791 M HA -0.157 4.323 4.480 -0.000 0.000 0.259 791 M C 0.721 177.121 176.300 0.167 0.000 1.071 791 M CA 2.370 57.758 55.300 0.147 0.000 1.082 791 M CB -0.124 32.585 32.600 0.181 0.000 1.373 791 M HN 0.485 nan 8.290 nan 0.000 0.408 792 Y N -3.323 117.042 120.300 0.109 0.000 2.660 792 Y HA 0.336 4.886 4.550 -0.000 0.000 0.254 792 Y C 1.067 177.109 175.900 0.237 0.000 1.176 792 Y CA -0.733 57.468 58.100 0.169 0.000 1.195 792 Y CB 0.322 38.869 38.460 0.145 0.000 1.190 792 Y HN -0.136 nan 8.280 nan 0.000 0.535 793 S N 1.404 117.305 115.700 0.335 0.000 2.704 793 S HA 0.040 4.510 4.470 -0.000 0.000 0.241 793 S C 0.789 175.415 174.600 0.042 0.000 1.264 793 S CA -0.351 58.037 58.200 0.315 0.000 1.236 793 S CB -0.930 62.401 63.200 0.218 0.000 0.928 793 S HN 0.608 nan 8.310 nan 0.000 0.492 794 F N 0.820 120.777 119.950 0.010 0.000 2.995 794 F HA -0.421 4.106 4.527 -0.000 0.000 0.360 794 F C 0.775 176.476 175.800 -0.164 0.000 0.667 794 F CA 1.548 59.497 58.000 -0.086 0.000 0.790 794 F CB -1.367 37.620 39.000 -0.021 0.000 1.444 794 F HN 0.532 nan 8.300 nan 0.000 0.300 795 F N 1.439 121.145 119.950 -0.407 0.000 1.993 795 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 795 F C 1.842 177.408 175.800 -0.389 0.000 1.177 795 F CA 2.190 59.934 58.000 -0.426 0.000 1.182 795 F CB -0.871 37.978 39.000 -0.250 0.000 0.958 795 F HN -0.101 nan 8.300 nan 0.000 0.496 796 R N 1.889 122.121 120.500 -0.445 0.000 2.903 796 R HA -0.062 4.278 4.340 -0.000 0.000 0.315 796 R C 0.116 176.185 176.300 -0.385 0.000 1.219 796 R CA 0.692 56.563 56.100 -0.381 0.000 0.977 796 R CB -0.705 29.591 30.300 -0.006 0.000 1.042 796 R HN 0.534 nan 8.270 nan 0.000 0.466 797 N N 0.792 119.182 118.700 -0.517 0.000 2.584 797 N HA 0.020 4.760 4.740 -0.000 0.000 0.318 797 N C -0.643 174.804 175.510 -0.105 0.000 0.669 797 N CA 0.191 53.081 53.050 -0.266 0.000 1.248 797 N CB 0.395 38.732 38.487 -0.250 0.000 1.659 797 N HN 0.274 nan 8.380 nan 0.000 1.460 798 F N 1.060 120.778 119.950 -0.387 0.000 2.706 798 F HA 0.708 5.235 4.527 -0.000 0.000 0.328 798 F C -1.841 173.804 175.800 -0.259 0.000 1.123 798 F CA -0.380 57.493 58.000 -0.212 0.000 0.978 798 F CB 2.007 40.963 39.000 -0.073 0.000 1.404 798 F HN -0.186 nan 8.300 nan 0.000 0.497 799 Q N 2.287 121.024 119.800 -1.772 0.000 2.364 799 Q HA 0.355 4.695 4.340 -0.000 0.000 0.257 799 Q C -2.883 172.334 176.000 -1.305 0.000 0.956 799 Q CA -1.653 53.264 55.803 -1.476 0.000 0.924 799 Q CB 2.885 31.263 28.738 -0.601 0.000 1.413 799 Q HN 0.461 nan 8.270 nan 0.000 0.418 800 P HA 0.238 nan 4.420 nan 0.000 0.286 800 P C -1.034 176.261 177.300 -0.008 0.000 1.269 800 P CA -0.238 62.807 63.100 -0.092 0.000 0.787 800 P CB 0.888 32.712 31.700 0.206 0.000 0.920 801 M N 1.280 120.937 119.600 0.094 0.000 2.517 801 M HA 0.728 5.208 4.480 -0.000 0.000 0.248 801 M C 0.159 176.542 176.300 0.139 0.000 0.923 801 M CA -0.452 54.917 55.300 0.114 0.000 1.314 801 M CB 0.614 33.322 32.600 0.180 0.000 1.392 801 M HN 0.166 nan 8.290 nan 0.000 0.711 802 S N -1.424 114.360 115.700 0.140 0.000 3.127 802 S HA 0.784 5.254 4.470 -0.000 0.000 0.314 802 S C -1.385 173.099 174.600 -0.194 0.000 1.238 802 S CA -0.900 57.314 58.200 0.024 0.000 1.074 802 S CB 1.828 65.011 63.200 -0.029 0.000 1.417 802 S HN 0.907 nan 8.310 nan 0.000 0.597 803 R N 0.063 120.373 120.500 -0.318 0.000 3.288 803 R HA 0.444 4.784 4.340 -0.000 0.000 0.284 803 R C -2.677 173.411 176.300 -0.353 0.000 0.967 803 R CA -0.448 55.342 56.100 -0.517 0.000 0.836 803 R CB 0.318 29.892 30.300 -1.210 0.000 1.344 803 R HN 0.589 nan 8.270 nan 0.000 0.534 804 Q N 1.045 120.656 119.800 -0.316 0.000 2.271 804 Q HA 0.540 4.880 4.340 -0.000 0.000 0.268 804 Q C -1.563 174.323 176.000 -0.189 0.000 1.021 804 Q CA -0.741 54.938 55.803 -0.206 0.000 0.802 804 Q CB 2.778 31.432 28.738 -0.140 0.000 1.282 804 Q HN 0.492 nan 8.270 nan 0.000 0.431 805 V N 1.426 121.245 119.914 -0.159 0.000 2.570 805 V HA 0.360 4.480 4.120 -0.000 0.000 0.271 805 V C 0.075 176.110 176.094 -0.099 0.000 1.005 805 V CA -0.644 61.587 62.300 -0.114 0.000 1.111 805 V CB -0.351 31.402 31.823 -0.116 0.000 1.259 805 V HN 0.727 nan 8.190 nan 0.000 0.571 806 V N -1.871 117.985 119.914 -0.096 0.000 3.910 806 V HA -0.227 3.893 4.120 -0.000 0.000 0.546 806 V C -0.070 175.851 176.094 -0.289 0.000 0.926 806 V CA 0.776 62.980 62.300 -0.160 0.000 2.140 806 V CB -0.527 31.269 31.823 -0.046 0.000 2.457 806 V HN 0.739 nan 8.190 nan 0.000 0.525 807 D N 1.036 121.181 120.400 -0.425 0.000 2.277 807 D HA 0.449 5.089 4.640 -0.000 0.000 0.249 807 D C 0.659 176.598 176.300 -0.601 0.000 1.134 807 D CA -0.016 53.754 54.000 -0.383 0.000 0.863 807 D CB 1.546 42.188 40.800 -0.262 0.000 1.143 807 D HN 0.676 nan 8.370 nan 0.000 0.458 808 D N 0.278 120.486 120.400 -0.321 0.000 2.106 808 D HA -0.080 4.560 4.640 -0.000 0.000 0.203 808 D C 0.683 176.928 176.300 -0.092 0.000 0.977 808 D CA 1.100 54.989 54.000 -0.185 0.000 0.844 808 D CB -0.073 40.700 40.800 -0.045 0.000 1.002 808 D HN 0.442 nan 8.370 nan 0.000 0.461 809 T N -0.374 114.142 114.554 -0.064 0.000 3.579 809 T HA 0.487 4.837 4.350 -0.000 0.000 0.328 809 T C 0.224 174.914 174.700 -0.017 0.000 1.481 809 T CA -0.428 61.663 62.100 -0.014 0.000 1.144 809 T CB 0.759 69.624 68.868 -0.006 0.000 1.205 809 T HN -0.207 nan 8.240 nan 0.000 0.812 810 K N 0.719 121.121 120.400 0.004 0.000 4.085 810 K HA 0.156 4.476 4.320 -0.000 0.000 0.515 810 K C -1.359 175.332 176.600 0.153 0.000 0.970 810 K CA -0.954 55.361 56.287 0.046 0.000 0.835 810 K CB -0.200 32.306 32.500 0.009 0.000 1.590 810 K HN 0.209 nan 8.250 nan 0.000 0.659 811 Y N 2.310 122.616 120.300 0.009 0.000 2.718 811 Y HA -0.265 4.285 4.550 -0.000 0.000 0.127 811 Y C 1.103 177.070 175.900 0.111 0.000 1.758 811 Y CA 1.579 59.718 58.100 0.066 0.000 1.227 811 Y CB -0.506 38.017 38.460 0.105 0.000 1.855 811 Y HN 0.489 nan 8.280 nan 0.000 0.292 812 K N 0.844 121.221 120.400 -0.039 0.000 2.585 812 K HA -0.094 4.226 4.320 -0.000 0.000 0.194 812 K C 0.433 176.978 176.600 -0.092 0.000 1.037 812 K CA 1.800 58.065 56.287 -0.038 0.000 0.964 812 K CB 0.173 32.641 32.500 -0.053 0.000 0.787 812 K HN 0.551 nan 8.250 nan 0.000 0.488 813 D N -0.048 120.196 120.400 -0.260 0.000 2.368 813 D HA -0.024 4.616 4.640 -0.000 0.000 0.218 813 D C -0.882 175.461 176.300 0.070 0.000 1.112 813 D CA 0.036 53.895 54.000 -0.235 0.000 0.834 813 D CB 0.279 40.745 40.800 -0.555 0.000 0.953 813 D HN 0.286 nan 8.370 nan 0.000 0.505 814 Y N 2.261 122.630 120.300 0.114 0.000 2.863 814 Y HA 0.197 4.747 4.550 -0.000 0.000 0.348 814 Y C -0.016 175.976 175.900 0.153 0.000 1.028 814 Y CA -0.636 57.624 58.100 0.267 0.000 1.213 814 Y CB 0.228 38.923 38.460 0.391 0.000 1.120 814 Y HN -0.272 nan 8.280 nan 0.000 0.598 815 Q N 2.794 122.623 119.800 0.049 0.000 2.199 815 Q HA 0.140 4.480 4.340 -0.000 0.000 0.232 815 Q C -0.575 175.391 176.000 -0.057 0.000 0.969 815 Q CA -0.793 55.033 55.803 0.038 0.000 0.925 815 Q CB 1.579 30.323 28.738 0.011 0.000 1.198 815 Q HN 0.811 nan 8.270 nan 0.000 0.494 816 Q N 0.179 119.973 119.800 -0.010 0.000 2.364 816 Q HA 0.309 4.649 4.340 -0.000 0.000 0.267 816 Q C -0.906 175.040 176.000 -0.090 0.000 0.999 816 Q CA -0.074 55.704 55.803 -0.042 0.000 0.886 816 Q CB 0.702 29.433 28.738 -0.012 0.000 1.243 816 Q HN 0.311 nan 8.270 nan 0.000 0.415 817 V N 1.166 121.007 119.914 -0.122 0.000 3.139 817 V HA 0.901 5.021 4.120 -0.000 0.000 0.310 817 V C 0.358 176.363 176.094 -0.149 0.000 1.260 817 V CA -0.727 61.500 62.300 -0.122 0.000 1.064 817 V CB 1.412 33.178 31.823 -0.095 0.000 1.160 817 V HN 0.930 nan 8.190 nan 0.000 0.470 818 G N -1.151 107.568 108.800 -0.134 0.000 2.473 818 G HA2 0.610 4.570 3.960 -0.000 0.000 0.321 818 G HA3 0.610 4.570 3.960 -0.000 0.000 0.321 818 G C -0.105 174.778 174.900 -0.028 0.000 1.200 818 G CA -0.615 44.420 45.100 -0.109 0.000 0.963 818 G HN 0.590 nan 8.290 nan 0.000 0.483 819 I N 0.209 120.759 120.570 -0.034 0.000 2.406 819 I HA 0.011 4.181 4.170 -0.000 0.000 0.249 819 I C 1.782 177.899 176.117 0.000 0.000 1.122 819 I CA 0.787 62.036 61.300 -0.086 0.000 1.431 819 I CB -0.204 37.764 38.000 -0.054 0.000 1.087 819 I HN 0.318 nan 8.210 nan 0.000 0.424 820 L N -1.043 120.234 121.223 0.091 0.000 2.627 820 L HA 0.140 4.480 4.340 -0.000 0.000 0.232 820 L C 1.202 178.168 176.870 0.161 0.000 1.150 820 L CA 1.096 56.000 54.840 0.106 0.000 0.917 820 L CB -1.320 40.786 42.059 0.079 0.000 1.104 820 L HN 0.161 nan 8.230 nan 0.000 0.445 821 H N -1.536 117.570 119.070 0.060 0.000 3.170 821 H HA 0.295 4.851 4.556 -0.000 0.000 0.264 821 H C 0.178 175.584 175.328 0.131 0.000 1.113 821 H CA -0.184 55.923 56.048 0.099 0.000 1.194 821 H CB 0.547 30.334 29.762 0.042 0.000 1.553 821 H HN 0.332 nan 8.280 nan 0.000 0.538 822 Q N 1.971 121.863 119.800 0.153 0.000 2.349 822 Q HA 0.189 4.529 4.340 -0.000 0.000 0.254 822 Q C -0.103 176.092 176.000 0.325 0.000 0.980 822 Q CA -0.449 55.396 55.803 0.071 0.000 0.924 822 Q CB 0.826 29.301 28.738 -0.438 0.000 1.209 822 Q HN 0.560 nan 8.270 nan 0.000 0.445 823 H N 1.355 120.601 119.070 0.293 0.000 3.160 823 H HA 0.678 5.234 4.556 -0.000 0.000 0.297 823 H C -0.724 174.701 175.328 0.163 0.000 1.605 823 H CA -0.996 55.198 56.048 0.243 0.000 1.418 823 H CB 2.021 31.837 29.762 0.091 0.000 1.846 823 H HN 0.714 nan 8.280 nan 0.000 0.754 824 N N -1.261 117.670 118.700 0.384 0.000 5.579 824 N HA -0.117 4.623 4.740 -0.000 0.000 0.194 824 N C -0.887 174.735 175.510 0.186 0.000 1.092 824 N CA 0.379 53.578 53.050 0.248 0.000 0.755 824 N CB 0.156 38.658 38.487 0.025 0.000 1.645 824 N HN 0.991 nan 8.380 nan 0.000 0.523 825 N N -0.446 118.317 118.700 0.105 0.000 2.955 825 N HA -0.207 4.533 4.740 -0.000 0.000 0.230 825 N C -1.007 174.456 175.510 -0.077 0.000 0.891 825 N CA 1.323 54.396 53.050 0.038 0.000 1.002 825 N CB -0.693 37.873 38.487 0.132 0.000 1.063 825 N HN 0.571 nan 8.380 nan 0.000 0.601 826 S N -0.736 114.934 115.700 -0.051 0.000 2.836 826 S HA 0.090 4.560 4.470 -0.000 0.000 0.344 826 S C 1.546 176.003 174.600 -0.237 0.000 1.215 826 S CA 1.380 59.491 58.200 -0.147 0.000 0.988 826 S CB -0.083 63.022 63.200 -0.158 0.000 0.654 826 S HN 1.008 nan 8.310 nan 0.000 0.458 827 G N 0.962 109.677 108.800 -0.141 0.000 2.220 827 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.269 827 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.269 827 G C 0.377 175.487 174.900 0.349 0.000 0.977 827 G CA 0.656 45.745 45.100 -0.019 0.000 0.634 827 G HN 0.600 nan 8.290 nan 0.000 0.539 828 F N -0.897 119.055 119.950 0.003 0.000 2.729 828 F HA 0.458 4.985 4.527 -0.000 0.000 0.304 828 F C 1.343 177.157 175.800 0.022 0.000 1.008 828 F CA -0.438 57.569 58.000 0.011 0.000 1.188 828 F CB -0.030 38.975 39.000 0.008 0.000 0.980 828 F HN 0.137 nan 8.300 nan 0.000 0.627 829 V N 1.658 121.706 119.914 0.224 0.000 2.461 829 V HA 0.623 4.743 4.120 -0.000 0.000 0.275 829 V C 0.605 176.796 176.094 0.162 0.000 1.047 829 V CA -0.570 61.830 62.300 0.167 0.000 0.955 829 V CB 0.607 32.534 31.823 0.172 0.000 0.988 829 V HN 0.289 nan 8.190 nan 0.000 0.471 830 G N 5.675 114.553 108.800 0.130 0.000 2.225 830 G HA2 0.067 4.027 3.960 -0.000 0.000 0.245 830 G HA3 0.067 4.027 3.960 -0.000 0.000 0.245 830 G C -0.766 174.258 174.900 0.206 0.000 1.249 830 G CA 0.209 45.385 45.100 0.126 0.000 0.919 830 G HN 0.699 nan 8.290 nan 0.000 0.486 831 Y N 1.896 122.201 120.300 0.009 0.000 2.403 831 Y HA 0.389 4.939 4.550 -0.000 0.000 0.323 831 Y C 1.308 177.197 175.900 -0.019 0.000 1.226 831 Y CA -1.368 56.732 58.100 -0.000 0.000 1.235 831 Y CB 1.121 39.573 38.460 -0.014 0.000 1.248 831 Y HN 0.495 nan 8.280 nan 0.000 0.489 832 L N 2.132 123.120 121.223 -0.392 0.000 3.678 832 L HA -0.289 4.051 4.340 -0.000 0.000 0.425 832 L C -0.019 176.789 176.870 -0.103 0.000 1.240 832 L CA 1.024 55.693 54.840 -0.284 0.000 0.876 832 L CB -2.164 39.766 42.059 -0.215 0.000 1.766 832 L HN 0.890 nan 8.230 nan 0.000 0.917 833 A N -1.621 121.159 122.820 -0.066 0.000 2.495 833 A HA 0.285 4.605 4.320 -0.000 0.000 0.582 833 A C -2.488 175.061 177.584 -0.059 0.000 0.519 833 A CA -0.089 51.937 52.037 -0.018 0.000 0.325 833 A CB -0.634 18.388 19.000 0.036 0.000 3.211 833 A HN 0.031 nan 8.150 nan 0.000 0.535 834 P HA 0.161 nan 4.420 nan 0.000 0.249 834 P C 0.859 178.145 177.300 -0.023 0.000 1.544 834 P CA 1.033 64.055 63.100 -0.130 0.000 0.932 834 P CB -0.736 30.777 31.700 -0.312 0.000 1.524 835 T N -2.209 112.352 114.554 0.012 0.000 2.885 835 T HA 0.205 4.555 4.350 -0.000 0.000 0.356 835 T C 1.272 176.002 174.700 0.049 0.000 1.137 835 T CA -0.361 61.762 62.100 0.038 0.000 1.014 835 T CB -0.185 68.710 68.868 0.045 0.000 1.410 835 T HN -0.110 nan 8.240 nan 0.000 0.532 836 M N 1.169 120.799 119.600 0.051 0.000 1.663 836 M HA 0.084 4.564 4.480 -0.000 0.000 0.082 836 M C 2.457 178.796 176.300 0.064 0.000 1.001 836 M CA 0.355 55.684 55.300 0.049 0.000 0.329 836 M CB -0.218 32.408 32.600 0.043 0.000 0.625 836 M HN 0.711 nan 8.290 nan 0.000 0.181 837 R N 0.973 121.512 120.500 0.064 0.000 2.088 837 R HA -0.118 4.222 4.340 -0.000 0.000 0.232 837 R C -0.331 176.031 176.300 0.103 0.000 1.136 837 R CA 1.398 57.560 56.100 0.104 0.000 0.926 837 R CB -1.200 29.161 30.300 0.102 0.000 0.837 837 R HN 0.685 nan 8.270 nan 0.000 0.429 838 E N 1.803 122.044 120.200 0.069 0.000 2.912 838 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 838 E C 0.263 176.874 176.600 0.018 0.000 1.990 838 E CA 1.305 57.736 56.400 0.051 0.000 0.758 838 E CB -1.319 28.433 29.700 0.086 0.000 1.013 838 E HN 0.812 nan 8.360 nan 0.000 0.334 839 G N 1.398 110.190 108.800 -0.013 0.000 2.347 839 G HA2 0.153 4.113 3.960 -0.000 0.000 0.341 839 G HA3 0.153 4.113 3.960 -0.000 0.000 0.341 839 G C -1.377 173.491 174.900 -0.054 0.000 1.287 839 G CA -0.329 44.722 45.100 -0.081 0.000 0.984 839 G HN 0.433 nan 8.290 nan 0.000 0.526 840 Q N 0.082 119.820 119.800 -0.102 0.000 2.333 840 Q HA 0.732 5.072 4.340 -0.000 0.000 0.265 840 Q C 0.185 176.159 176.000 -0.043 0.000 0.989 840 Q CA 0.335 56.109 55.803 -0.048 0.000 0.842 840 Q CB 1.501 30.197 28.738 -0.070 0.000 1.262 840 Q HN 1.924 nan 8.270 nan 0.000 0.451 841 A N 4.706 127.482 122.820 -0.072 0.000 2.526 841 A HA 0.343 4.663 4.320 -0.000 0.000 0.267 841 A C -1.226 176.335 177.584 -0.038 0.000 1.095 841 A CA 0.587 52.474 52.037 -0.252 0.000 0.775 841 A CB -0.536 18.213 19.000 -0.419 0.000 1.036 841 A HN 0.696 nan 8.150 nan 0.000 0.510 842 Y N 2.028 122.181 120.300 -0.245 0.000 2.558 842 Y HA 0.390 4.940 4.550 -0.000 0.000 0.333 842 Y C -2.064 173.785 175.900 -0.085 0.000 1.125 842 Y CA -1.457 56.548 58.100 -0.157 0.000 1.039 842 Y CB 1.788 40.149 38.460 -0.165 0.000 1.331 842 Y HN 0.535 nan 8.280 nan 0.000 0.456 843 P HA -0.131 nan 4.420 nan 0.000 0.291 843 P C -1.041 176.361 177.300 0.169 0.000 1.855 843 P CA 0.990 64.133 63.100 0.073 0.000 1.607 843 P CB 0.241 31.979 31.700 0.064 0.000 0.655 844 A N -0.785 122.093 122.820 0.096 0.000 2.346 844 A HA 0.662 4.982 4.320 -0.000 0.000 0.313 844 A C 0.439 177.915 177.584 -0.180 0.000 1.140 844 A CA -0.039 51.982 52.037 -0.026 0.000 0.826 844 A CB 1.079 20.041 19.000 -0.063 0.000 1.332 844 A HN 0.553 nan 8.150 nan 0.000 0.457 845 N N -1.589 116.877 118.700 -0.389 0.000 1.856 845 N HA 0.059 4.799 4.740 -0.000 0.000 0.223 845 N C -1.186 174.294 175.510 -0.050 0.000 1.438 845 N CA 0.228 53.079 53.050 -0.332 0.000 0.693 845 N CB 0.435 38.550 38.487 -0.620 0.000 1.051 845 N HN 0.683 nan 8.380 nan 0.000 0.563 846 F N 1.851 121.637 119.950 -0.273 0.000 2.770 846 F HA 0.378 4.905 4.527 -0.000 0.000 0.334 846 F C -2.869 172.662 175.800 -0.448 0.000 1.116 846 F CA -1.072 56.800 58.000 -0.214 0.000 1.152 846 F CB 1.519 40.415 39.000 -0.174 0.000 1.418 846 F HN -0.195 nan 8.300 nan 0.000 0.618 847 P HA 0.063 nan 4.420 nan 0.000 0.271 847 P C -1.101 176.222 177.300 0.039 0.000 1.216 847 P CA 0.310 63.197 63.100 -0.355 0.000 0.776 847 P CB 0.739 32.183 31.700 -0.427 0.000 0.881 848 Y N 3.597 123.905 120.300 0.013 0.000 2.359 848 Y HA 0.142 4.692 4.550 -0.000 0.000 0.330 848 Y C -0.896 175.008 175.900 0.008 0.000 1.143 848 Y CA -1.705 56.412 58.100 0.029 0.000 1.318 848 Y CB 0.349 38.858 38.460 0.082 0.000 1.234 848 Y HN 0.331 nan 8.280 nan 0.000 0.522 849 P HA 0.110 nan 4.420 nan 0.000 0.276 849 P C -0.520 176.807 177.300 0.046 0.000 1.235 849 P CA 0.084 63.203 63.100 0.032 0.000 0.772 849 P CB 1.732 33.425 31.700 -0.012 0.000 0.871 850 L N 2.166 123.404 121.223 0.025 0.000 3.406 850 L HA 0.306 4.646 4.340 -0.000 0.000 0.309 850 L C 0.344 177.205 176.870 -0.014 0.000 1.159 850 L CA 0.159 55.000 54.840 0.002 0.000 1.122 850 L CB 0.416 42.479 42.059 0.007 0.000 1.633 850 L HN 0.297 nan 8.230 nan 0.000 0.607 851 I N -0.048 120.518 120.570 -0.006 0.000 2.354 851 I HA 0.773 4.943 4.170 -0.000 0.000 0.286 851 I C 0.375 176.488 176.117 -0.006 0.000 1.007 851 I CA -0.562 60.733 61.300 -0.009 0.000 1.167 851 I CB 0.766 38.763 38.000 -0.004 0.000 1.320 851 I HN 0.074 nan 8.210 nan 0.000 0.458 852 G N 4.602 113.397 108.800 -0.009 0.000 2.343 852 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.465 852 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.465 852 G C -0.060 174.836 174.900 -0.008 0.000 1.282 852 G CA -0.722 44.374 45.100 -0.006 0.000 0.996 852 G HN 0.618 nan 8.290 nan 0.000 0.521 853 K N -0.829 119.568 120.400 -0.004 0.000 2.521 853 K HA 0.041 4.361 4.320 -0.000 0.000 0.198 853 K C 1.134 177.733 176.600 -0.002 0.000 1.046 853 K CA 1.960 58.246 56.287 -0.002 0.000 0.931 853 K CB -0.225 32.276 32.500 0.002 0.000 0.764 853 K HN 0.629 nan 8.250 nan 0.000 0.487 854 T N -1.281 113.270 114.554 -0.005 0.000 2.916 854 T HA 0.772 5.122 4.350 -0.000 0.000 0.292 854 T C -2.022 172.663 174.700 -0.025 0.000 1.055 854 T CA -0.263 61.833 62.100 -0.008 0.000 1.009 854 T CB 1.634 70.502 68.868 0.001 0.000 1.118 854 T HN 0.059 nan 8.240 nan 0.000 0.497 855 A N 2.469 125.258 122.820 -0.052 0.000 2.483 855 A HA 0.525 4.845 4.320 -0.000 0.000 0.315 855 A C -0.459 177.009 177.584 -0.192 0.000 1.027 855 A CA -0.725 51.263 52.037 -0.081 0.000 0.996 855 A CB -0.070 18.887 19.000 -0.072 0.000 1.288 855 A HN 0.756 nan 8.150 nan 0.000 0.371 856 V N 1.182 120.979 119.914 -0.195 0.000 3.840 856 V HA -0.026 4.094 4.120 -0.000 0.000 0.300 856 V C 0.769 176.549 176.094 -0.523 0.000 1.124 856 V CA 0.352 62.381 62.300 -0.451 0.000 1.229 856 V CB 0.273 32.095 31.823 -0.002 0.000 1.114 856 V HN 0.830 nan 8.190 nan 0.000 0.491 857 D N 1.357 121.348 120.400 -0.683 0.000 2.662 857 D HA 0.120 4.760 4.640 -0.000 0.000 0.228 857 D C 0.815 176.966 176.300 -0.247 0.000 1.093 857 D CA 0.153 53.932 54.000 -0.369 0.000 1.075 857 D CB -0.654 40.023 40.800 -0.204 0.000 1.122 857 D HN 0.639 nan 8.370 nan 0.000 0.475 858 S N 0.579 116.158 115.700 -0.203 0.000 2.960 858 S HA 0.095 4.565 4.470 -0.000 0.000 0.256 858 S C 0.595 175.115 174.600 -0.134 0.000 1.474 858 S CA -0.229 57.884 58.200 -0.145 0.000 1.020 858 S CB 0.703 63.838 63.200 -0.109 0.000 0.870 858 S HN 0.533 nan 8.310 nan 0.000 0.530 859 I N -1.398 119.102 120.570 -0.117 0.000 2.526 859 I HA 0.200 4.370 4.170 -0.000 0.000 0.305 859 I C -1.594 174.454 176.117 -0.116 0.000 1.951 859 I CA -0.159 61.076 61.300 -0.108 0.000 0.938 859 I CB 1.237 39.169 38.000 -0.113 0.000 1.543 859 I HN 0.700 nan 8.210 nan 0.000 0.609 860 T N 4.070 118.559 114.554 -0.108 0.000 2.853 860 T HA 0.402 4.752 4.350 -0.000 0.000 0.317 860 T C -0.521 174.095 174.700 -0.140 0.000 1.059 860 T CA -0.457 61.566 62.100 -0.129 0.000 0.954 860 T CB 0.804 69.614 68.868 -0.097 0.000 0.994 860 T HN 0.483 nan 8.240 nan 0.000 0.479 861 Q N 3.267 122.946 119.800 -0.202 0.000 2.349 861 Q HA 0.255 4.595 4.340 -0.000 0.000 0.254 861 Q C -0.015 175.841 176.000 -0.241 0.000 0.980 861 Q CA -0.375 55.315 55.803 -0.188 0.000 0.924 861 Q CB 1.082 29.705 28.738 -0.192 0.000 1.209 861 Q HN 0.646 nan 8.270 nan 0.000 0.445 862 K N 2.037 122.382 120.400 -0.092 0.000 2.168 862 K HA 0.672 4.992 4.320 -0.000 0.000 0.239 862 K C -0.307 176.365 176.600 0.121 0.000 0.999 862 K CA -0.906 55.383 56.287 0.004 0.000 0.900 862 K CB 1.605 34.096 32.500 -0.015 0.000 1.111 862 K HN 0.440 nan 8.250 nan 0.000 0.452 863 K N -0.518 119.975 120.400 0.156 0.000 2.522 863 K HA 0.407 4.727 4.320 -0.000 0.000 0.270 863 K C -1.381 175.201 176.600 -0.030 0.000 0.926 863 K CA -0.924 55.302 56.287 -0.102 0.000 0.730 863 K CB 0.811 33.345 32.500 0.055 0.000 1.418 863 K HN 0.656 nan 8.250 nan 0.000 0.337 864 F N -1.275 118.719 119.950 0.073 0.000 3.205 864 F HA 0.800 5.327 4.527 -0.000 0.000 0.336 864 F C -0.837 174.947 175.800 -0.027 0.000 1.255 864 F CA -1.307 56.749 58.000 0.092 0.000 0.998 864 F CB 0.980 40.006 39.000 0.044 0.000 1.531 864 F HN 0.467 nan 8.300 nan 0.000 0.521 865 L N -0.887 120.489 121.223 0.256 0.000 2.619 865 L HA 0.702 5.042 4.340 -0.000 0.000 0.239 865 L C -1.661 175.048 176.870 -0.269 0.000 1.118 865 L CA -0.401 54.439 54.840 -0.001 0.000 1.146 865 L CB 2.064 44.376 42.059 0.421 0.000 1.596 865 L HN 1.076 nan 8.230 nan 0.000 0.408 866 C N 0.951 120.384 119.300 0.222 0.000 0.171 866 C HA -0.024 4.436 4.460 -0.000 0.000 0.018 866 C C -0.272 174.864 174.990 0.243 0.000 0.171 866 C CA 0.192 59.333 59.018 0.205 0.000 0.505 866 C CB -1.518 26.171 27.740 -0.084 0.000 3.211 866 C HN 0.996 nan 8.230 nan 0.000 1.118 867 D N 1.401 121.930 120.400 0.215 0.000 2.602 867 D HA 0.137 4.777 4.640 -0.000 0.000 0.284 867 D C 0.859 177.283 176.300 0.206 0.000 1.065 867 D CA 0.135 54.276 54.000 0.236 0.000 0.923 867 D CB -0.082 40.895 40.800 0.295 0.000 1.373 867 D HN 0.708 nan 8.370 nan 0.000 0.492 868 R N 1.145 121.730 120.500 0.141 0.000 4.792 868 R HA 0.396 4.736 4.340 -0.000 0.000 0.205 868 R C -0.281 176.004 176.300 -0.025 0.000 1.875 868 R CA 0.175 56.305 56.100 0.049 0.000 1.588 868 R CB -0.491 29.722 30.300 -0.144 0.000 1.401 868 R HN -0.038 nan 8.270 nan 0.000 0.834 869 T N 0.546 114.987 114.554 -0.187 0.000 3.289 869 T HA 0.318 4.668 4.350 -0.000 0.000 0.370 869 T C -1.213 172.982 174.700 -0.841 0.000 1.546 869 T CA -0.571 61.216 62.100 -0.521 0.000 1.144 869 T CB 1.341 69.750 68.868 -0.765 0.000 1.379 869 T HN 0.234 nan 8.240 nan 0.000 0.478 870 L N 2.543 123.216 121.223 -0.918 0.000 2.293 870 L HA 0.658 4.998 4.340 -0.000 0.000 0.264 870 L C -0.261 176.006 176.870 -1.006 0.000 1.029 870 L CA -1.098 53.080 54.840 -1.103 0.000 0.897 870 L CB 1.988 43.538 42.059 -0.850 0.000 1.497 870 L HN 0.857 nan 8.230 nan 0.000 0.495 871 W N 1.442 122.459 121.300 -0.473 0.000 2.937 871 W HA 0.190 4.850 4.660 -0.000 0.000 0.435 871 W C 0.427 176.707 176.519 -0.399 0.000 0.912 871 W CA -0.863 56.206 57.345 -0.459 0.000 2.209 871 W CB 0.196 29.438 29.460 -0.363 0.000 1.144 871 W HN 0.255 nan 8.180 nan 0.000 0.762 872 R N 1.518 121.937 120.500 -0.135 0.000 2.446 872 R HA 0.074 4.414 4.340 -0.000 0.000 0.325 872 R C -0.623 175.713 176.300 0.060 0.000 0.997 872 R CA 0.375 56.426 56.100 -0.081 0.000 1.010 872 R CB -0.196 29.999 30.300 -0.175 0.000 0.946 872 R HN 0.216 nan 8.270 nan 0.000 0.422 873 I N 7.291 127.983 120.570 0.204 0.000 2.297 873 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 873 I C -1.798 174.603 176.117 0.474 0.000 1.033 873 I CA -2.467 58.977 61.300 0.239 0.000 1.253 873 I CB 1.256 39.190 38.000 -0.111 0.000 1.396 873 I HN 0.452 nan 8.210 nan 0.000 0.476 874 P HA -0.013 nan 4.420 nan 0.000 0.278 874 P C 0.117 177.812 177.300 0.658 0.000 1.268 874 P CA 0.305 63.701 63.100 0.494 0.000 0.813 874 P CB 0.456 32.469 31.700 0.523 0.000 1.180 875 F N -2.252 117.754 119.950 0.092 0.000 2.856 875 F HA 0.125 4.652 4.527 -0.000 0.000 0.338 875 F C 0.247 175.836 175.800 -0.352 0.000 1.100 875 F CA 0.039 58.039 58.000 0.001 0.000 1.150 875 F CB 0.259 39.251 39.000 -0.013 0.000 1.101 875 F HN -0.023 nan 8.300 nan 0.000 0.548 876 S N -0.112 115.235 115.700 -0.590 0.000 2.465 876 S HA 0.077 4.547 4.470 -0.000 0.000 0.307 876 S C 1.389 175.387 174.600 -1.004 0.000 1.187 876 S CA 0.163 57.990 58.200 -0.622 0.000 1.141 876 S CB 0.994 63.934 63.200 -0.435 0.000 1.108 876 S HN 0.232 nan 8.310 nan 0.000 0.525 877 S N 3.726 119.156 115.700 -0.450 0.000 2.433 877 S HA -0.275 4.195 4.470 -0.000 0.000 0.270 877 S C 1.884 176.447 174.600 -0.063 0.000 1.068 877 S CA 2.235 60.313 58.200 -0.203 0.000 1.375 877 S CB -0.696 62.465 63.200 -0.066 0.000 1.255 877 S HN 1.011 nan 8.310 nan 0.000 0.442 878 N N 1.423 120.121 118.700 -0.004 0.000 2.617 878 N HA -0.016 4.724 4.740 -0.000 0.000 0.198 878 N C -0.319 175.319 175.510 0.214 0.000 1.317 878 N CA 0.172 53.304 53.050 0.138 0.000 0.892 878 N CB -1.354 37.188 38.487 0.092 0.000 1.041 878 N HN 0.406 nan 8.380 nan 0.000 0.450 879 F N 0.290 120.315 119.950 0.126 0.000 2.068 879 F HA -0.271 4.256 4.527 -0.000 0.000 0.146 879 F C 0.352 176.216 175.800 0.107 0.000 1.001 879 F CA 0.934 59.005 58.000 0.119 0.000 0.708 879 F CB -1.085 37.998 39.000 0.138 0.000 0.761 879 F HN 0.170 nan 8.300 nan 0.000 0.770 880 M N 1.943 121.597 119.600 0.091 0.000 2.296 880 M HA 0.090 4.570 4.480 -0.000 0.000 0.268 880 M C 0.006 176.320 176.300 0.025 0.000 1.048 880 M CA -0.401 54.947 55.300 0.078 0.000 0.966 880 M CB 2.195 34.842 32.600 0.077 0.000 1.912 880 M HN 0.048 nan 8.290 nan 0.000 0.484 881 S N 3.077 118.794 115.700 0.028 0.000 3.944 881 S HA 0.189 4.659 4.470 -0.000 0.000 0.215 881 S C 0.497 175.126 174.600 0.048 0.000 1.220 881 S CA 0.208 58.420 58.200 0.019 0.000 0.950 881 S CB -0.389 62.812 63.200 0.001 0.000 1.615 881 S HN 0.640 nan 8.310 nan 0.000 0.466 882 M N 0.207 119.828 119.600 0.034 0.000 2.040 882 M HA 0.404 4.884 4.480 -0.000 0.000 0.338 882 M C 0.775 177.098 176.300 0.038 0.000 0.905 882 M CA -0.119 55.210 55.300 0.048 0.000 1.148 882 M CB -0.221 32.405 32.600 0.044 0.000 2.135 882 M HN 0.169 nan 8.290 nan 0.000 0.728 883 G N 0.952 109.761 108.800 0.014 0.000 2.448 883 G HA2 0.587 4.547 3.960 -0.000 0.000 0.309 883 G HA3 0.587 4.547 3.960 -0.000 0.000 0.309 883 G C 0.528 175.456 174.900 0.048 0.000 1.027 883 G CA 0.108 45.217 45.100 0.016 0.000 1.104 883 G HN 0.507 nan 8.290 nan 0.000 0.428 884 A N 3.557 126.419 122.820 0.070 0.000 2.140 884 A HA 0.266 4.586 4.320 -0.000 0.000 0.209 884 A C 1.424 179.049 177.584 0.068 0.000 1.181 884 A CA 0.201 52.320 52.037 0.138 0.000 0.824 884 A CB 0.195 19.276 19.000 0.134 0.000 0.879 884 A HN 0.514 nan 8.150 nan 0.000 0.480 885 L N 2.608 123.837 121.223 0.009 0.000 2.955 885 L HA 0.057 4.397 4.340 -0.000 0.000 0.238 885 L C 1.706 178.588 176.870 0.020 0.000 1.359 885 L CA 1.294 56.112 54.840 -0.036 0.000 1.214 885 L CB -2.036 40.004 42.059 -0.032 0.000 1.600 885 L HN 0.719 nan 8.230 nan 0.000 0.442 886 T N -3.086 111.516 114.554 0.081 0.000 9.127 886 T HA -0.456 3.894 4.350 -0.000 0.000 0.416 886 T C 0.899 175.699 174.700 0.167 0.000 1.437 886 T CA 1.912 64.138 62.100 0.209 0.000 2.459 886 T CB -0.591 68.442 68.868 0.276 0.000 2.981 886 T HN 0.624 nan 8.240 nan 0.000 1.250 887 D N 0.347 120.791 120.400 0.074 0.000 3.955 887 D HA -0.199 4.441 4.640 -0.000 0.000 0.201 887 D C 1.254 177.556 176.300 0.003 0.000 1.010 887 D CA 1.524 55.539 54.000 0.024 0.000 2.311 887 D CB -1.583 39.202 40.800 -0.024 0.000 1.173 887 D HN 0.507 nan 8.370 nan 0.000 0.455 888 L N 1.702 122.882 121.223 -0.071 0.000 2.068 888 L HA 0.132 4.472 4.340 -0.000 0.000 0.204 888 L C 2.527 179.203 176.870 -0.323 0.000 1.076 888 L CA 1.816 56.483 54.840 -0.288 0.000 0.753 888 L CB -0.384 41.380 42.059 -0.492 0.000 0.910 888 L HN 0.321 nan 8.230 nan 0.000 0.439 889 G N -0.603 108.213 108.800 0.026 0.000 3.194 889 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.208 889 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.208 889 G C 0.997 175.965 174.900 0.113 0.000 1.240 889 G CA 0.176 45.382 45.100 0.176 0.000 1.044 889 G HN 0.390 nan 8.290 nan 0.000 0.495 890 Q N -0.183 119.678 119.800 0.102 0.000 2.596 890 Q HA 0.035 4.375 4.340 -0.000 0.000 0.190 890 Q C 0.760 176.887 176.000 0.211 0.000 0.905 890 Q CA -0.508 55.365 55.803 0.117 0.000 0.846 890 Q CB -0.325 28.465 28.738 0.086 0.000 1.117 890 Q HN 0.262 nan 8.270 nan 0.000 0.630 891 N N 0.863 119.733 118.700 0.283 0.000 2.121 891 N HA -0.157 4.583 4.740 -0.000 0.000 0.260 891 N C -0.876 174.893 175.510 0.431 0.000 1.229 891 N CA 0.735 54.009 53.050 0.374 0.000 0.830 891 N CB 0.165 38.972 38.487 0.533 0.000 1.073 891 N HN 0.344 nan 8.380 nan 0.000 0.465 892 L N 2.908 124.223 121.223 0.153 0.000 2.784 892 L HA 0.282 4.622 4.340 -0.000 0.000 0.241 892 L C 0.546 177.343 176.870 -0.122 0.000 1.352 892 L CA -0.401 54.483 54.840 0.074 0.000 0.911 892 L CB 0.124 42.220 42.059 0.062 0.000 1.227 892 L HN 0.565 nan 8.230 nan 0.000 0.501 893 L N -3.100 117.857 121.223 -0.442 0.000 2.817 893 L HA 0.365 4.705 4.340 -0.000 0.000 0.248 893 L C 1.111 177.667 176.870 -0.523 0.000 1.133 893 L CA 0.558 55.113 54.840 -0.475 0.000 0.935 893 L CB -0.204 41.537 42.059 -0.529 0.000 1.266 893 L HN 0.160 nan 8.230 nan 0.000 0.535 894 Y N 0.171 120.543 120.300 0.121 0.000 2.506 894 Y HA 0.560 5.110 4.550 -0.000 0.000 0.287 894 Y C 2.282 178.245 175.900 0.104 0.000 1.147 894 Y CA 0.162 58.395 58.100 0.221 0.000 1.241 894 Y CB -0.614 38.034 38.460 0.314 0.000 1.279 894 Y HN 0.079 nan 8.280 nan 0.000 0.527 895 A N 0.203 123.185 122.820 0.270 0.000 2.359 895 A HA 0.226 4.545 4.320 -0.000 0.000 0.240 895 A C -0.031 177.568 177.584 0.026 0.000 1.306 895 A CA 0.200 52.324 52.037 0.145 0.000 0.898 895 A CB -0.889 18.213 19.000 0.170 0.000 0.956 895 A HN 0.431 nan 8.150 nan 0.000 0.497 896 N N -0.443 118.230 118.700 -0.045 0.000 2.595 896 N HA 0.255 4.995 4.740 -0.000 0.000 0.291 896 N C -1.358 174.059 175.510 -0.156 0.000 1.706 896 N CA 0.005 53.006 53.050 -0.081 0.000 0.867 896 N CB 0.947 39.396 38.487 -0.062 0.000 1.414 896 N HN 0.025 nan 8.380 nan 0.000 0.492 897 S N -0.252 115.313 115.700 -0.226 0.000 2.579 897 S HA 0.456 4.926 4.470 -0.000 0.000 0.290 897 S C -0.589 173.832 174.600 -0.298 0.000 1.123 897 S CA -0.923 57.069 58.200 -0.346 0.000 0.894 897 S CB 1.340 64.105 63.200 -0.724 0.000 1.095 897 S HN 0.236 nan 8.310 nan 0.000 0.450 898 A N 2.756 125.493 122.820 -0.138 0.000 3.004 898 A HA 0.251 4.571 4.320 -0.000 0.000 0.252 898 A C 0.095 177.768 177.584 0.149 0.000 1.802 898 A CA 0.386 52.404 52.037 -0.032 0.000 1.424 898 A CB -0.821 18.176 19.000 -0.005 0.000 1.005 898 A HN 0.664 nan 8.150 nan 0.000 0.631 899 H N 0.359 119.533 119.070 0.174 0.000 2.615 899 H HA 0.691 5.247 4.556 -0.000 0.000 0.363 899 H C 0.518 176.279 175.328 0.722 0.000 1.148 899 H CA 0.168 56.438 56.048 0.371 0.000 1.401 899 H CB 1.378 31.417 29.762 0.462 0.000 1.461 899 H HN 0.649 nan 8.280 nan 0.000 0.588 900 A N 2.099 125.359 122.820 0.733 0.000 2.536 900 A HA 0.641 4.961 4.320 -0.000 0.000 0.293 900 A C -1.095 176.548 177.584 0.098 0.000 1.119 900 A CA -0.590 51.857 52.037 0.683 0.000 0.654 900 A CB 1.141 20.442 19.000 0.502 0.000 1.291 900 A HN 0.555 nan 8.150 nan 0.000 0.439 901 L N -3.658 117.498 121.223 -0.111 0.000 2.311 901 L HA 0.874 5.214 4.340 -0.000 0.000 0.245 901 L C -1.066 175.734 176.870 -0.116 0.000 1.181 901 L CA -0.801 53.910 54.840 -0.215 0.000 1.167 901 L CB 0.758 42.440 42.059 -0.628 0.000 1.646 901 L HN 0.679 nan 8.230 nan 0.000 0.491 902 D N -1.456 118.861 120.400 -0.138 0.000 4.378 902 D HA 0.619 5.259 4.640 -0.000 0.000 0.318 902 D C -1.117 175.150 176.300 -0.054 0.000 1.651 902 D CA -0.230 53.731 54.000 -0.066 0.000 0.976 902 D CB 2.040 42.834 40.800 -0.010 0.000 1.451 902 D HN 0.493 nan 8.370 nan 0.000 0.665 903 M N -0.425 119.172 119.600 -0.005 0.000 3.015 903 M HA 0.336 4.816 4.480 -0.000 0.000 0.272 903 M C -1.984 174.344 176.300 0.048 0.000 1.085 903 M CA -0.108 55.219 55.300 0.044 0.000 0.795 903 M CB 2.354 35.002 32.600 0.080 0.000 1.632 903 M HN 0.402 nan 8.290 nan 0.000 0.535 904 T N 1.047 115.647 114.554 0.077 0.000 3.003 904 T HA 0.649 4.999 4.350 -0.000 0.000 0.354 904 T C -2.029 172.684 174.700 0.022 0.000 1.651 904 T CA -0.515 61.605 62.100 0.033 0.000 1.103 904 T CB 1.487 70.337 68.868 -0.031 0.000 1.450 904 T HN 0.514 nan 8.240 nan 0.000 0.484 905 F N 1.600 121.509 119.950 -0.070 0.000 2.767 905 F HA 0.328 4.855 4.527 -0.000 0.000 0.341 905 F C -0.585 175.121 175.800 -0.157 0.000 1.192 905 F CA -0.616 57.312 58.000 -0.120 0.000 1.127 905 F CB 1.594 40.506 39.000 -0.146 0.000 1.388 905 F HN 0.582 nan 8.300 nan 0.000 0.574 906 E N 5.070 125.246 120.200 -0.040 0.000 2.046 906 E HA 0.628 4.978 4.350 -0.000 0.000 0.279 906 E C -1.439 175.088 176.600 -0.121 0.000 0.989 906 E CA -0.527 55.840 56.400 -0.055 0.000 0.798 906 E CB 0.932 30.592 29.700 -0.067 0.000 1.086 906 E HN 0.382 nan 8.360 nan 0.000 0.399 907 V N 1.343 121.165 119.914 -0.154 0.000 3.046 907 V HA 0.436 4.556 4.120 -0.000 0.000 0.316 907 V C 0.484 176.531 176.094 -0.079 0.000 1.104 907 V CA -1.241 60.895 62.300 -0.274 0.000 1.006 907 V CB 1.612 33.196 31.823 -0.398 0.000 1.058 907 V HN 0.581 nan 8.190 nan 0.000 0.440 908 D N 1.924 122.323 120.400 -0.001 0.000 2.273 908 D HA 0.245 4.885 4.640 -0.000 0.000 0.247 908 D C -2.330 173.996 176.300 0.043 0.000 1.313 908 D CA -0.466 53.573 54.000 0.065 0.000 0.974 908 D CB 0.508 41.391 40.800 0.138 0.000 1.157 908 D HN 0.612 nan 8.370 nan 0.000 0.533 909 P HA 0.239 nan 4.420 nan 0.000 0.199 909 P C -0.617 176.720 177.300 0.060 0.000 1.878 909 P CA -0.391 62.738 63.100 0.049 0.000 1.202 909 P CB -0.070 31.660 31.700 0.049 0.000 1.719 910 M N 1.979 121.611 119.600 0.053 0.000 2.251 910 M HA 0.074 4.554 4.480 -0.000 0.000 0.346 910 M C 0.161 176.483 176.300 0.038 0.000 1.499 910 M CA 0.540 55.873 55.300 0.055 0.000 1.128 910 M CB -0.047 32.576 32.600 0.038 0.000 1.809 910 M HN -0.045 nan 8.290 nan 0.000 0.464 911 D N 2.844 123.269 120.400 0.042 0.000 2.855 911 D HA -0.304 4.336 4.640 -0.000 0.000 0.242 911 D C -0.265 176.048 176.300 0.021 0.000 1.105 911 D CA 2.111 56.127 54.000 0.027 0.000 0.977 911 D CB -0.638 40.179 40.800 0.027 0.000 1.241 911 D HN 0.800 nan 8.370 nan 0.000 0.500 912 E N 1.452 121.663 120.200 0.020 0.000 2.585 912 E HA 0.041 4.391 4.350 -0.000 0.000 0.252 912 E C -2.144 174.462 176.600 0.009 0.000 0.981 912 E CA -0.648 55.760 56.400 0.013 0.000 0.943 912 E CB 0.506 30.212 29.700 0.009 0.000 0.923 912 E HN 0.242 nan 8.360 nan 0.000 0.486 913 P HA -0.062 nan 4.420 nan 0.000 0.232 913 P C 0.112 177.417 177.300 0.009 0.000 1.738 913 P CA 0.071 63.178 63.100 0.012 0.000 0.948 913 P CB -0.389 31.321 31.700 0.017 0.000 1.943 914 T N -0.742 113.812 114.554 -0.001 0.000 5.915 914 T HA -0.034 4.316 4.350 -0.000 0.000 0.456 914 T C 0.214 174.908 174.700 -0.010 0.000 0.874 914 T CA 0.452 62.545 62.100 -0.012 0.000 0.872 914 T CB -0.302 68.550 68.868 -0.026 0.000 1.027 914 T HN 0.053 nan 8.240 nan 0.000 0.341 915 L N 0.126 121.334 121.223 -0.024 0.000 2.661 915 L HA 0.436 4.776 4.340 -0.000 0.000 0.263 915 L C -0.982 175.874 176.870 -0.023 0.000 0.956 915 L CA -0.727 54.100 54.840 -0.022 0.000 0.918 915 L CB 1.839 43.870 42.059 -0.046 0.000 1.280 915 L HN 0.512 nan 8.230 nan 0.000 0.416 916 L N 3.967 125.193 121.223 0.004 0.000 2.385 916 L HA 0.316 4.656 4.340 -0.000 0.000 0.281 916 L C 0.039 176.969 176.870 0.101 0.000 1.106 916 L CA 0.184 55.026 54.840 0.003 0.000 0.856 916 L CB -0.045 41.952 42.059 -0.102 0.000 1.186 916 L HN 0.382 nan 8.230 nan 0.000 0.453 917 Y N 4.670 124.973 120.300 0.004 0.000 2.850 917 Y HA 0.171 4.721 4.550 -0.000 0.000 0.352 917 Y C 0.070 176.104 175.900 0.224 0.000 1.275 917 Y CA 0.667 58.820 58.100 0.088 0.000 1.463 917 Y CB 0.407 38.956 38.460 0.149 0.000 1.337 917 Y HN 0.396 nan 8.280 nan 0.000 0.671 918 V N 2.477 122.861 119.914 0.783 0.000 2.859 918 V HA 0.454 4.574 4.120 -0.000 0.000 0.257 918 V C -1.273 174.892 176.094 0.117 0.000 1.691 918 V CA -1.241 61.361 62.300 0.503 0.000 0.901 918 V CB 0.388 32.568 31.823 0.596 0.000 1.246 918 V HN 0.883 nan 8.190 nan 0.000 0.466 919 L N 0.645 121.791 121.223 -0.128 0.000 2.568 919 L HA 0.880 5.220 4.340 -0.000 0.000 0.257 919 L C -1.430 175.289 176.870 -0.252 0.000 1.024 919 L CA -0.900 53.625 54.840 -0.525 0.000 0.854 919 L CB 2.557 44.430 42.059 -0.310 0.000 1.460 919 L HN 0.603 nan 8.230 nan 0.000 0.409 920 F N -0.561 119.420 119.950 0.052 0.000 2.710 920 F HA 0.297 4.824 4.527 -0.000 0.000 0.345 920 F C 0.630 176.418 175.800 -0.020 0.000 1.362 920 F CA -0.597 57.483 58.000 0.132 0.000 1.175 920 F CB 1.167 40.365 39.000 0.329 0.000 1.561 920 F HN 0.697 nan 8.300 nan 0.000 0.593 921 E N 2.663 122.765 120.200 -0.163 0.000 3.751 921 E HA -0.111 4.239 4.350 -0.000 0.000 0.256 921 E C 1.216 177.457 176.600 -0.598 0.000 1.062 921 E CA -0.139 56.032 56.400 -0.382 0.000 1.049 921 E CB 0.111 29.551 29.700 -0.432 0.000 0.990 921 E HN 0.680 nan 8.360 nan 0.000 0.416 922 V N 0.144 119.872 119.914 -0.310 0.000 2.231 922 V HA 0.122 4.242 4.120 -0.000 0.000 0.170 922 V C 0.495 176.120 176.094 -0.782 0.000 0.905 922 V CA 0.692 62.793 62.300 -0.331 0.000 1.206 922 V CB -0.301 31.556 31.823 0.057 0.000 0.736 922 V HN 0.286 nan 8.190 nan 0.000 0.453 923 F N -1.214 118.618 119.950 -0.196 0.000 2.741 923 F HA 0.676 5.203 4.527 -0.000 0.000 0.311 923 F C -1.615 174.043 175.800 -0.236 0.000 1.149 923 F CA -0.826 57.046 58.000 -0.213 0.000 0.930 923 F CB 1.706 40.600 39.000 -0.176 0.000 1.312 923 F HN 0.277 nan 8.300 nan 0.000 0.450 924 D N 1.372 121.711 120.400 -0.102 0.000 2.616 924 D HA 0.614 5.254 4.640 -0.000 0.000 0.238 924 D C -1.373 174.937 176.300 0.017 0.000 1.354 924 D CA -0.200 53.624 54.000 -0.293 0.000 0.970 924 D CB 2.152 42.288 40.800 -1.108 0.000 1.369 924 D HN 0.442 nan 8.370 nan 0.000 0.585 925 V N -0.484 119.627 119.914 0.329 0.000 2.962 925 V HA 0.884 5.004 4.120 -0.000 0.000 0.313 925 V C -0.099 176.361 176.094 0.610 0.000 1.099 925 V CA -0.867 61.728 62.300 0.492 0.000 0.971 925 V CB 1.703 33.678 31.823 0.253 0.000 1.028 925 V HN 0.246 nan 8.190 nan 0.000 0.430 926 V N 1.523 121.763 119.914 0.544 0.000 3.166 926 V HA 0.791 4.911 4.120 -0.000 0.000 0.317 926 V C -0.056 176.164 176.094 0.211 0.000 1.136 926 V CA -0.926 61.595 62.300 0.368 0.000 1.035 926 V CB 2.062 33.930 31.823 0.074 0.000 1.110 926 V HN 0.965 nan 8.190 nan 0.000 0.450 927 R N 0.604 121.166 120.500 0.103 0.000 3.124 927 R HA 0.293 4.633 4.340 -0.000 0.000 0.212 927 R C -0.689 175.640 176.300 0.048 0.000 1.677 927 R CA 0.042 56.196 56.100 0.091 0.000 1.186 927 R CB 1.332 31.693 30.300 0.102 0.000 1.571 927 R HN 0.629 nan 8.270 nan 0.000 0.583 928 V N 1.195 121.111 119.914 0.003 0.000 4.161 928 V HA -0.016 4.104 4.120 -0.000 0.000 0.273 928 V C 0.692 176.866 176.094 0.134 0.000 0.891 928 V CA 0.615 62.914 62.300 -0.001 0.000 0.901 928 V CB -0.136 31.649 31.823 -0.064 0.000 1.177 928 V HN 0.844 nan 8.190 nan 0.000 0.420 929 H N -0.467 118.594 119.070 -0.015 0.000 6.288 929 H HA 0.052 4.608 4.556 -0.000 0.000 0.890 929 H C -0.659 174.680 175.328 0.017 0.000 1.983 929 H CA -0.625 55.429 56.048 0.010 0.000 1.401 929 H CB -0.296 29.477 29.762 0.020 0.000 4.689 929 H HN 0.595 nan 8.280 nan 0.000 0.689 930 R N 6.349 126.805 120.500 -0.074 0.000 2.215 930 R HA 0.246 4.586 4.340 -0.000 0.000 0.337 930 R C -2.011 174.158 176.300 -0.219 0.000 1.010 930 R CA -1.416 54.598 56.100 -0.144 0.000 0.871 930 R CB 0.958 31.241 30.300 -0.029 0.000 1.134 930 R HN 0.354 nan 8.270 nan 0.000 0.477 931 P HA 0.109 nan 4.420 nan 0.000 0.289 931 P C -0.524 176.685 177.300 -0.151 0.000 1.303 931 P CA 0.243 63.194 63.100 -0.248 0.000 0.946 931 P CB 0.867 32.335 31.700 -0.386 0.000 1.454 932 H N 0.056 119.057 119.070 -0.115 0.000 2.737 932 H HA 0.379 4.935 4.556 -0.000 0.000 0.358 932 H C 0.296 175.611 175.328 -0.022 0.000 1.187 932 H CA -0.567 55.446 56.048 -0.058 0.000 1.221 932 H CB 2.293 32.018 29.762 -0.061 0.000 1.799 932 H HN -0.281 nan 8.280 nan 0.000 0.568 933 R N 0.195 120.831 120.500 0.226 0.000 2.535 933 R HA 0.097 4.437 4.340 -0.000 0.000 0.233 933 R C 0.328 176.718 176.300 0.150 0.000 1.202 933 R CA 0.806 56.999 56.100 0.155 0.000 1.205 933 R CB -0.672 29.717 30.300 0.148 0.000 1.153 933 R HN 0.840 nan 8.270 nan 0.000 0.512 934 G N -1.269 107.617 108.800 0.143 0.000 3.136 934 G HA2 0.060 4.020 3.960 -0.000 0.000 0.221 934 G HA3 0.060 4.020 3.960 -0.000 0.000 0.221 934 G C -0.780 174.078 174.900 -0.070 0.000 0.961 934 G CA -0.245 44.892 45.100 0.061 0.000 0.983 934 G HN 0.498 nan 8.290 nan 0.000 0.648 935 V N -2.847 117.050 119.914 -0.028 0.000 3.285 935 V HA 0.902 5.022 4.120 -0.000 0.000 0.293 935 V C -0.973 175.094 176.094 -0.045 0.000 1.563 935 V CA -1.336 60.907 62.300 -0.094 0.000 1.058 935 V CB 1.577 33.309 31.823 -0.153 0.000 1.142 935 V HN 0.517 nan 8.190 nan 0.000 0.470 936 I N -0.446 120.085 120.570 -0.066 0.000 3.021 936 I HA 0.508 4.678 4.170 -0.000 0.000 0.305 936 I C -0.487 175.616 176.117 -0.024 0.000 1.434 936 I CA -0.074 61.192 61.300 -0.057 0.000 0.969 936 I CB 2.368 40.334 38.000 -0.056 0.000 1.328 936 I HN 1.006 nan 8.210 nan 0.000 0.486 937 E N 1.280 121.492 120.200 0.020 0.000 2.939 937 E HA 0.281 4.631 4.350 -0.000 0.000 0.215 937 E C -0.458 176.189 176.600 0.078 0.000 1.025 937 E CA -0.067 56.361 56.400 0.047 0.000 1.259 937 E CB 0.638 30.376 29.700 0.062 0.000 1.228 937 E HN 0.634 nan 8.360 nan 0.000 0.443 938 T N -0.539 114.052 114.554 0.062 0.000 0.000 938 T HA 0.519 4.869 4.350 -0.000 0.000 0.000 938 T C -0.534 174.206 174.700 0.066 0.000 0.000 938 T CA -0.202 61.940 62.100 0.069 0.000 0.000 938 T CB 1.399 70.289 68.868 0.037 0.000 0.000 938 T HN 0.143 nan 8.240 nan 0.000 0.000 939 V N 0.415 120.368 119.914 0.065 0.000 3.284 939 V HA 0.526 4.646 4.120 -0.000 0.000 0.282 939 V C -2.127 174.132 176.094 0.276 0.000 1.901 939 V CA -0.484 61.924 62.300 0.179 0.000 0.970 939 V CB 1.368 33.323 31.823 0.221 0.000 1.183 939 V HN 1.081 nan 8.190 nan 0.000 0.479 940 Y N -0.347 120.022 120.300 0.116 0.000 2.981 940 Y HA 0.878 5.428 4.550 -0.000 0.000 0.359 940 Y C -1.061 174.946 175.900 0.178 0.000 1.359 940 Y CA -1.020 57.178 58.100 0.163 0.000 1.105 940 Y CB 0.473 39.071 38.460 0.230 0.000 1.840 940 Y HN 1.471 nan 8.280 nan 0.000 0.426 941 L N -0.739 120.584 121.223 0.165 0.000 3.170 941 L HA 0.674 5.014 4.340 -0.000 0.000 0.286 941 L C -1.441 175.441 176.870 0.020 0.000 1.006 941 L CA -1.135 53.703 54.840 -0.004 0.000 0.993 941 L CB 1.917 44.007 42.059 0.051 0.000 1.549 941 L HN 0.805 nan 8.230 nan 0.000 0.387 942 R N 0.324 120.824 120.500 -0.002 0.000 2.590 942 R HA 0.511 4.851 4.340 -0.000 0.000 0.274 942 R C -0.972 175.335 176.300 0.011 0.000 1.061 942 R CA 0.487 56.590 56.100 0.005 0.000 1.081 942 R CB 0.872 31.189 30.300 0.028 0.000 0.984 942 R HN 0.667 nan 8.270 nan 0.000 0.448 943 T N 6.973 121.540 114.554 0.021 0.000 2.892 943 T HA 0.360 4.710 4.350 -0.000 0.000 0.311 943 T C -2.468 172.266 174.700 0.057 0.000 1.033 943 T CA -1.162 60.937 62.100 -0.002 0.000 0.991 943 T CB 1.700 70.558 68.868 -0.016 0.000 0.981 943 T HN 0.520 nan 8.240 nan 0.000 0.457 944 P HA 0.594 nan 4.420 nan 0.000 0.352 944 P C 0.263 177.368 177.300 -0.325 0.000 1.163 944 P CA -0.753 62.128 63.100 -0.365 0.000 0.775 944 P CB 1.310 32.670 31.700 -0.567 0.000 1.524 945 F N -3.540 116.404 119.950 -0.010 0.000 2.658 945 F HA -0.374 4.153 4.527 -0.000 0.000 0.528 945 F C 1.688 177.476 175.800 -0.020 0.000 0.527 945 F CA 0.574 58.544 58.000 -0.051 0.000 0.927 945 F CB -2.675 36.287 39.000 -0.062 0.000 1.675 945 F HN 0.229 nan 8.300 nan 0.000 0.263 946 S N 0.781 116.561 115.700 0.134 0.000 4.255 946 S HA -0.182 4.288 4.470 -0.000 0.000 0.537 946 S C 1.219 175.870 174.600 0.084 0.000 0.923 946 S CA 1.704 59.955 58.200 0.086 0.000 3.384 946 S CB -1.060 62.167 63.200 0.044 0.000 2.351 946 S HN 1.749 nan 8.310 nan 0.000 0.350 947 A N -1.248 121.607 122.820 0.058 0.000 2.465 947 A HA 0.586 4.906 4.320 -0.000 0.000 0.183 947 A C 0.611 178.220 177.584 0.041 0.000 2.089 947 A CA 0.798 52.864 52.037 0.049 0.000 1.171 947 A CB -0.405 18.627 19.000 0.053 0.000 1.039 947 A HN 1.807 nan 8.150 nan 0.000 0.429 948 G N 0.269 109.094 108.800 0.042 0.000 2.899 948 G HA2 0.447 4.407 3.960 -0.000 0.000 0.137 948 G HA3 0.447 4.407 3.960 -0.000 0.000 0.137 948 G C -0.819 174.111 174.900 0.050 0.000 1.198 948 G CA 0.392 45.518 45.100 0.044 0.000 1.126 948 G HN 0.712 nan 8.290 nan 0.000 0.589 949 N N 0.000 118.738 118.700 0.064 0.000 1.763 949 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 949 N CA 0.000 53.096 53.050 0.076 0.000 0.885 949 N CB 0.000 38.526 38.487 0.065 0.000 1.341 949 N HN 0.000 nan 8.380 nan 0.000 0.667