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_B 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 RTPFSA 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 0.000 177.588 177.584 0.007 0.000 1.274 2 A CA 0.000 52.040 52.037 0.005 0.000 0.836 2 A CB 0.000 19.004 19.000 0.006 0.000 0.831 3 T N 1.692 116.252 114.554 0.010 0.000 1.309 3 T HA -0.024 4.326 4.350 0.000 0.000 0.685 3 T C -1.633 173.076 174.700 0.016 0.000 0.967 3 T CA 0.889 62.998 62.100 0.015 0.000 3.630 3 T CB -1.261 67.615 68.868 0.014 0.000 2.070 3 T HN 0.979 nan 8.240 nan 0.000 0.393 4 P HA 0.825 nan 4.420 nan 0.000 0.340 4 P C 0.465 177.786 177.300 0.035 0.000 1.327 4 P CA -0.134 62.978 63.100 0.019 0.000 0.823 4 P CB 1.007 32.716 31.700 0.016 0.000 1.953 5 S N -3.495 112.229 115.700 0.039 0.000 5.361 5 S HA 0.170 4.640 4.470 0.000 0.000 0.140 5 S C 0.046 174.684 174.600 0.062 0.000 1.100 5 S CA 0.663 58.910 58.200 0.078 0.000 1.373 5 S CB -0.440 62.797 63.200 0.062 0.000 1.803 5 S HN 0.502 nan 8.310 nan 0.000 0.495 6 M N -0.339 119.226 119.600 -0.058 0.000 7.319 6 M HA -0.179 4.301 4.480 0.000 0.000 0.563 6 M C 0.156 176.268 176.300 -0.314 0.000 0.480 6 M CA 1.695 56.860 55.300 -0.226 0.000 1.311 6 M CB -0.935 31.464 32.600 -0.335 0.000 0.421 6 M HN 0.412 nan 8.290 nan 0.000 0.579 7 M N -1.477 117.701 119.600 -0.704 0.000 3.127 7 M HA -0.112 4.368 4.480 0.000 0.000 0.241 7 M C -2.197 173.668 176.300 -0.725 0.000 0.503 7 M CA 0.786 55.649 55.300 -0.729 0.000 0.924 7 M CB -1.466 31.070 32.600 -0.107 0.000 3.272 7 M HN 0.607 nan 8.290 nan 0.000 0.315 8 P HA 0.172 nan 4.420 nan 0.000 0.258 8 P C 0.950 177.832 177.300 -0.696 0.000 1.174 8 P CA 0.621 63.378 63.100 -0.572 0.000 0.899 8 P CB 0.192 31.570 31.700 -0.536 0.000 1.163 9 Q N 0.374 119.651 119.800 -0.873 0.000 2.029 9 Q HA -0.206 4.134 4.340 0.000 0.000 0.209 9 Q C 2.014 177.958 176.000 -0.093 0.000 0.999 9 Q CA 2.490 57.931 55.803 -0.602 0.000 0.857 9 Q CB -0.757 27.609 28.738 -0.621 0.000 0.926 9 Q HN 0.361 nan 8.270 nan 0.000 0.415 10 W N 0.078 121.370 121.300 -0.013 0.000 1.986 10 W HA -0.260 4.400 4.660 0.000 0.000 0.304 10 W C 2.588 179.155 176.519 0.080 0.000 1.082 10 W CA 0.451 57.820 57.345 0.040 0.000 1.048 10 W CB -1.456 28.009 29.460 0.008 0.000 1.142 10 W HN 0.080 nan 8.180 nan 0.000 0.483 11 S N -0.215 115.677 115.700 0.320 0.000 2.422 11 S HA -0.445 4.025 4.470 0.000 0.000 0.241 11 S C 1.798 176.514 174.600 0.193 0.000 1.076 11 S CA 2.049 60.354 58.200 0.175 0.000 1.066 11 S CB -1.036 62.200 63.200 0.060 0.000 0.890 11 S HN 0.341 nan 8.310 nan 0.000 0.465 12 Y N 1.463 121.780 120.300 0.028 0.000 2.624 12 Y HA -0.264 4.286 4.550 0.000 0.000 0.241 12 Y C 1.223 177.164 175.900 0.069 0.000 1.418 12 Y CA 2.030 60.139 58.100 0.014 0.000 0.956 12 Y CB -0.570 37.909 38.460 0.031 0.000 0.745 12 Y HN 0.447 nan 8.280 nan 0.000 0.550 13 M N 0.075 119.883 119.600 0.346 0.000 2.386 13 M HA 0.258 4.738 4.480 0.000 0.000 0.245 13 M C -0.578 176.107 176.300 0.640 0.000 0.982 13 M CA -0.074 55.524 55.300 0.497 0.000 0.860 13 M CB -0.176 32.676 32.600 0.420 0.000 1.371 13 M HN 0.413 nan 8.290 nan 0.000 0.425 14 H N 1.230 120.376 119.070 0.128 0.000 2.819 14 H HA -0.143 4.413 4.556 0.000 0.000 0.323 14 H C -0.063 175.285 175.328 0.032 0.000 1.243 14 H CA 0.855 56.927 56.048 0.040 0.000 1.163 14 H CB -1.847 27.834 29.762 -0.134 0.000 1.493 14 H HN 0.755 nan 8.280 nan 0.000 0.434 15 I N -2.806 117.848 120.570 0.139 0.000 3.864 15 I HA 0.133 4.303 4.170 0.000 0.000 0.270 15 I C 1.295 177.457 176.117 0.076 0.000 0.836 15 I CA -0.475 60.893 61.300 0.114 0.000 2.547 15 I CB -0.455 37.633 38.000 0.145 0.000 1.542 15 I HN -0.007 nan 8.210 nan 0.000 0.494 16 S N 1.426 117.184 115.700 0.095 0.000 2.985 16 S HA 0.077 4.547 4.470 0.000 0.000 0.283 16 S C 1.001 175.625 174.600 0.040 0.000 0.676 16 S CA 1.071 59.321 58.200 0.083 0.000 2.182 16 S CB -1.567 61.724 63.200 0.152 0.000 1.156 16 S HN 0.990 nan 8.310 nan 0.000 0.649 17 G N 2.187 111.005 108.800 0.030 0.000 3.586 17 G HA2 -0.225 3.735 3.960 0.000 0.000 0.212 17 G HA3 -0.225 3.735 3.960 0.000 0.000 0.212 17 G C -0.072 174.842 174.900 0.023 0.000 1.411 17 G CA -0.145 44.967 45.100 0.020 0.000 0.898 17 G HN 0.582 nan 8.290 nan 0.000 0.575 18 Q N 2.478 122.282 119.800 0.006 0.000 2.409 18 Q HA 0.198 4.538 4.340 0.000 0.000 0.240 18 Q C -0.639 175.410 176.000 0.083 0.000 1.226 18 Q CA 0.061 55.884 55.803 0.034 0.000 0.895 18 Q CB 0.324 29.008 28.738 -0.090 0.000 1.491 18 Q HN 0.497 nan 8.270 nan 0.000 0.509 19 D N 2.771 123.218 120.400 0.078 0.000 2.826 19 D HA 0.111 4.751 4.640 0.000 0.000 0.229 19 D C 1.198 177.532 176.300 0.056 0.000 1.091 19 D CA 0.508 54.542 54.000 0.056 0.000 1.061 19 D CB -0.062 40.759 40.800 0.034 0.000 1.155 19 D HN 0.622 nan 8.370 nan 0.000 0.450 20 A N 0.979 123.878 122.820 0.131 0.000 5.022 20 A HA -0.306 4.014 4.320 0.000 0.000 0.312 20 A C 1.083 178.686 177.584 0.032 0.000 1.965 20 A CA 1.222 53.339 52.037 0.132 0.000 0.712 20 A CB -1.851 17.056 19.000 -0.155 0.000 1.305 20 A HN 0.713 nan 8.150 nan 0.000 0.364 21 S N 1.254 116.901 115.700 -0.088 0.000 3.219 21 S HA 0.374 4.844 4.470 0.000 0.000 0.278 21 S C 0.521 175.047 174.600 -0.124 0.000 1.024 21 S CA 1.026 59.131 58.200 -0.159 0.000 1.528 21 S CB -0.307 62.828 63.200 -0.108 0.000 1.548 21 S HN 0.658 nan 8.310 nan 0.000 0.596 22 E N 0.928 121.020 120.200 -0.180 0.000 2.661 22 E HA 0.032 4.382 4.350 0.000 0.000 0.202 22 E C 0.792 177.404 176.600 0.020 0.000 0.911 22 E CA 0.445 56.846 56.400 0.001 0.000 1.581 22 E CB -0.011 29.788 29.700 0.164 0.000 1.667 22 E HN 0.838 nan 8.360 nan 0.000 0.911 23 Y N -0.443 119.831 120.300 -0.044 0.000 2.506 23 Y HA 0.285 4.835 4.550 0.000 0.000 0.287 23 Y C 2.102 177.980 175.900 -0.037 0.000 1.147 23 Y CA -0.568 57.508 58.100 -0.041 0.000 1.241 23 Y CB -0.007 38.420 38.460 -0.055 0.000 1.279 23 Y HN -0.214 nan 8.280 nan 0.000 0.527 24 L N 0.813 121.337 121.223 -1.165 0.000 2.828 24 L HA -0.498 3.842 4.340 0.000 0.000 0.199 24 L C 0.627 177.351 176.870 -0.243 0.000 1.280 24 L CA 2.799 57.225 54.840 -0.689 0.000 0.795 24 L CB -1.379 40.382 42.059 -0.498 0.000 1.042 24 L HN 0.773 nan 8.230 nan 0.000 0.423 25 S N -2.295 113.310 115.700 -0.160 0.000 4.043 25 S HA -0.003 4.467 4.470 0.000 0.000 0.402 25 S C -1.140 173.405 174.600 -0.091 0.000 0.815 25 S CA -0.014 58.142 58.200 -0.073 0.000 0.987 25 S CB -0.488 62.687 63.200 -0.042 0.000 0.643 25 S HN 0.302 nan 8.310 nan 0.000 0.663 26 P HA -0.276 nan 4.420 nan 0.000 0.232 26 P C 1.380 178.624 177.300 -0.093 0.000 1.148 26 P CA 2.248 65.293 63.100 -0.091 0.000 0.889 26 P CB -0.439 31.230 31.700 -0.052 0.000 0.745 27 G N -0.778 107.977 108.800 -0.075 0.000 2.437 27 G HA2 -0.054 3.906 3.960 0.000 0.000 0.212 27 G HA3 -0.054 3.906 3.960 0.000 0.000 0.212 27 G C 1.491 176.315 174.900 -0.127 0.000 1.174 27 G CA 0.574 45.637 45.100 -0.063 0.000 0.811 27 G HN 0.419 nan 8.290 nan 0.000 0.537 28 L N 0.503 121.650 121.223 -0.126 0.000 2.083 28 L HA -0.009 4.331 4.340 0.000 0.000 0.209 28 L C 2.662 179.311 176.870 -0.368 0.000 1.083 28 L CA 1.401 56.145 54.840 -0.160 0.000 0.752 28 L CB -1.235 40.775 42.059 -0.081 0.000 0.899 28 L HN 0.073 nan 8.230 nan 0.000 0.433 29 V N -0.994 118.726 119.914 -0.325 0.000 2.216 29 V HA -0.328 3.792 4.120 0.000 0.000 0.243 29 V C 2.401 178.124 176.094 -0.618 0.000 1.044 29 V CA 2.053 64.135 62.300 -0.362 0.000 0.995 29 V CB -1.328 30.349 31.823 -0.243 0.000 0.633 29 V HN 0.752 nan 8.190 nan 0.000 0.446 30 Q N 0.353 119.882 119.800 -0.452 0.000 1.830 30 Q HA -0.334 4.006 4.340 0.000 0.000 0.173 30 Q C 0.248 176.146 176.000 -0.170 0.000 2.918 30 Q CA 2.760 58.361 55.803 -0.338 0.000 0.353 30 Q CB -0.748 27.843 28.738 -0.245 0.000 0.336 30 Q HN 0.771 nan 8.270 nan 0.000 0.383 31 F N -1.603 118.356 119.950 0.015 0.000 2.415 31 F HA 0.663 5.190 4.527 0.000 0.000 0.348 31 F C 0.464 176.270 175.800 0.010 0.000 1.119 31 F CA -0.298 57.712 58.000 0.016 0.000 1.069 31 F CB 1.603 40.623 39.000 0.035 0.000 1.124 31 F HN 0.058 nan 8.300 nan 0.000 0.472 32 A N 3.098 125.998 122.820 0.134 0.000 2.504 32 A HA 0.329 4.649 4.320 0.000 0.000 0.233 32 A C 0.612 178.205 177.584 0.015 0.000 1.079 32 A CA -0.596 51.477 52.037 0.060 0.000 1.080 32 A CB -0.069 18.948 19.000 0.028 0.000 1.144 32 A HN 0.697 nan 8.150 nan 0.000 0.491 33 R N -1.686 118.821 120.500 0.012 0.000 2.504 33 R HA 0.670 5.010 4.340 0.000 0.000 0.396 33 R C 0.374 176.653 176.300 -0.036 0.000 0.896 33 R CA 0.614 56.703 56.100 -0.018 0.000 1.152 33 R CB -0.918 29.380 30.300 -0.002 0.000 1.681 33 R HN 0.705 nan 8.270 nan 0.000 0.537 34 A N -0.561 122.233 122.820 -0.044 0.000 2.699 34 A HA 0.295 4.615 4.320 0.000 0.000 0.242 34 A C 0.788 178.302 177.584 -0.117 0.000 1.142 34 A CA 0.479 52.478 52.037 -0.064 0.000 1.008 34 A CB 0.499 19.490 19.000 -0.015 0.000 1.232 34 A HN 0.224 nan 8.150 nan 0.000 0.574 35 T N -2.658 111.788 114.554 -0.179 0.000 3.524 35 T HA 0.130 4.480 4.350 0.000 0.000 0.300 35 T C -0.070 174.387 174.700 -0.404 0.000 0.872 35 T CA 0.722 62.648 62.100 -0.291 0.000 0.888 35 T CB 0.053 68.939 68.868 0.029 0.000 1.216 35 T HN 0.006 nan 8.240 nan 0.000 0.724 36 E N 1.798 121.840 120.200 -0.264 0.000 2.511 36 E HA 0.319 4.669 4.350 0.000 0.000 0.214 36 E C 1.203 177.642 176.600 -0.270 0.000 1.062 36 E CA 0.359 56.676 56.400 -0.138 0.000 1.213 36 E CB 0.063 29.774 29.700 0.018 0.000 1.214 36 E HN 0.615 nan 8.360 nan 0.000 0.441 37 T N -3.187 111.002 114.554 -0.608 0.000 3.044 37 T HA 0.097 4.447 4.350 0.000 0.000 0.260 37 T C 1.145 175.573 174.700 -0.453 0.000 1.019 37 T CA -0.057 61.759 62.100 -0.473 0.000 0.921 37 T CB -0.316 68.299 68.868 -0.421 0.000 1.053 37 T HN 0.228 nan 8.240 nan 0.000 0.533 38 Y N 0.495 120.513 120.300 -0.469 0.000 2.503 38 Y HA 0.415 4.965 4.550 0.000 0.000 0.277 38 Y C 0.832 176.343 175.900 -0.649 0.000 1.102 38 Y CA -0.503 57.148 58.100 -0.748 0.000 1.261 38 Y CB 0.117 37.752 38.460 -1.374 0.000 1.096 38 Y HN 0.224 nan 8.280 nan 0.000 0.546 39 F N -1.224 118.811 119.950 0.143 0.000 2.815 39 F HA 0.373 4.900 4.527 0.000 0.000 0.323 39 F C 0.535 176.364 175.800 0.048 0.000 1.151 39 F CA -1.380 56.677 58.000 0.094 0.000 1.191 39 F CB -0.331 38.734 39.000 0.109 0.000 1.069 39 F HN -0.354 nan 8.300 nan 0.000 0.514 40 S N 2.269 118.030 115.700 0.101 0.000 3.523 40 S HA -0.178 4.292 4.470 0.000 0.000 0.218 40 S C 0.178 174.833 174.600 0.091 0.000 0.645 40 S CA 0.530 58.765 58.200 0.058 0.000 1.390 40 S CB -1.198 62.023 63.200 0.035 0.000 1.199 40 S HN 0.461 nan 8.310 nan 0.000 0.375 41 L N 1.163 122.447 121.223 0.103 0.000 3.083 41 L HA 0.385 4.725 4.340 0.000 0.000 0.286 41 L C 1.023 177.935 176.870 0.070 0.000 1.307 41 L CA -0.311 54.590 54.840 0.101 0.000 0.897 41 L CB -0.092 42.050 42.059 0.139 0.000 1.306 41 L HN 0.250 nan 8.230 nan 0.000 0.569 42 N N 1.719 120.446 118.700 0.045 0.000 2.635 42 N HA -0.147 4.593 4.740 0.000 0.000 0.191 42 N C 0.388 175.914 175.510 0.027 0.000 1.155 42 N CA 0.571 53.638 53.050 0.028 0.000 0.927 42 N CB 0.119 38.616 38.487 0.017 0.000 0.976 42 N HN 0.589 nan 8.380 nan 0.000 0.448 43 N N -0.474 118.253 118.700 0.045 0.000 3.029 43 N HA 0.026 4.766 4.740 0.000 0.000 0.198 43 N C -1.540 174.024 175.510 0.090 0.000 1.444 43 N CA -0.464 52.619 53.050 0.055 0.000 0.784 43 N CB 0.061 38.576 38.487 0.046 0.000 1.539 43 N HN -0.192 nan 8.380 nan 0.000 0.582 44 K N 2.644 123.111 120.400 0.111 0.000 2.765 44 K HA 0.405 4.725 4.320 0.000 0.000 0.246 44 K C -1.747 174.980 176.600 0.212 0.000 1.254 44 K CA -0.516 55.843 56.287 0.121 0.000 1.219 44 K CB -0.674 31.885 32.500 0.098 0.000 1.747 44 K HN 0.380 nan 8.250 nan 0.000 0.372 45 F N 0.765 120.698 119.950 -0.029 0.000 2.602 45 F HA 0.083 4.610 4.527 0.000 0.000 0.302 45 F C -1.102 174.675 175.800 -0.037 0.000 0.967 45 F CA -1.244 56.720 58.000 -0.059 0.000 1.016 45 F CB 0.431 39.368 39.000 -0.106 0.000 1.291 45 F HN 0.324 nan 8.300 nan 0.000 0.558 46 R N 2.210 123.006 120.500 0.492 0.000 4.530 46 R HA 0.026 4.366 4.340 0.000 0.000 0.157 46 R C -0.671 175.744 176.300 0.191 0.000 2.088 46 R CA 0.414 56.679 56.100 0.275 0.000 1.559 46 R CB -1.271 29.153 30.300 0.207 0.000 1.284 46 R HN 0.318 nan 8.270 nan 0.000 0.764 47 N N 3.255 122.002 118.700 0.078 0.000 2.406 47 N HA 0.120 4.860 4.740 0.000 0.000 0.265 47 N C -2.113 173.413 175.510 0.026 0.000 1.203 47 N CA -1.076 51.963 53.050 -0.017 0.000 0.945 47 N CB 0.788 39.237 38.487 -0.064 0.000 1.165 47 N HN 0.422 nan 8.380 nan 0.000 0.485 48 P HA 0.395 nan 4.420 nan 0.000 0.292 48 P C -0.838 176.480 177.300 0.031 0.000 1.300 48 P CA -0.538 62.586 63.100 0.040 0.000 0.900 48 P CB 1.447 33.178 31.700 0.052 0.000 1.139 49 T N 0.815 115.385 114.554 0.027 0.000 2.771 49 T HA 0.367 4.717 4.350 0.000 0.000 0.281 49 T C 0.179 174.891 174.700 0.021 0.000 0.982 49 T CA -0.392 61.723 62.100 0.024 0.000 0.978 49 T CB 1.360 70.242 68.868 0.024 0.000 0.930 49 T HN 0.161 nan 8.240 nan 0.000 0.447 50 V N 1.973 121.895 119.914 0.014 0.000 3.336 50 V HA 0.774 4.894 4.120 0.000 0.000 0.314 50 V C 0.177 176.267 176.094 -0.007 0.000 1.088 50 V CA -0.914 61.387 62.300 0.002 0.000 1.033 50 V CB 1.549 33.366 31.823 -0.009 0.000 1.181 50 V HN 1.054 nan 8.190 nan 0.000 0.449 51 A N 3.505 126.313 122.820 -0.020 0.000 2.347 51 A HA 0.626 4.946 4.320 0.000 0.000 0.287 51 A C -2.198 175.352 177.584 -0.056 0.000 1.199 51 A CA -1.045 50.979 52.037 -0.022 0.000 0.851 51 A CB -0.498 18.488 19.000 -0.022 0.000 1.118 51 A HN 0.717 nan 8.150 nan 0.000 0.525 52 P HA 0.193 nan 4.420 nan 0.000 0.268 52 P C 0.827 178.071 177.300 -0.092 0.000 1.208 52 P CA 0.208 63.249 63.100 -0.098 0.000 0.777 52 P CB 0.905 32.662 31.700 0.095 0.000 0.875 53 T N -1.298 113.136 114.554 -0.200 0.000 3.358 53 T HA -0.012 4.338 4.350 0.000 0.000 0.263 53 T C 1.352 176.091 174.700 0.064 0.000 0.998 53 T CA 0.574 62.629 62.100 -0.075 0.000 1.130 53 T CB -1.057 67.738 68.868 -0.121 0.000 1.165 53 T HN 0.588 nan 8.240 nan 0.000 0.426 54 H N 1.398 120.472 119.070 0.006 0.000 3.519 54 H HA -0.042 4.514 4.556 0.000 0.000 0.287 54 H C -0.343 174.992 175.328 0.012 0.000 0.984 54 H CA 0.997 57.051 56.048 0.009 0.000 1.056 54 H CB -1.140 28.629 29.762 0.013 0.000 1.804 54 H HN 0.285 nan 8.280 nan 0.000 1.091 55 D N 1.680 122.177 120.400 0.161 0.000 2.347 55 D HA 0.361 5.001 4.640 0.000 0.000 0.235 55 D C -0.014 176.358 176.300 0.121 0.000 1.149 55 D CA -0.036 53.966 54.000 0.003 0.000 0.850 55 D CB 1.730 42.413 40.800 -0.194 0.000 1.061 55 D HN 0.316 nan 8.370 nan 0.000 0.487 56 V N 0.081 120.057 119.914 0.103 0.000 3.096 56 V HA 0.333 4.454 4.120 0.000 0.000 0.310 56 V C 1.493 177.623 176.094 0.060 0.000 1.438 56 V CA -1.029 61.337 62.300 0.109 0.000 1.042 56 V CB 0.765 32.669 31.823 0.135 0.000 1.069 56 V HN 0.441 nan 8.190 nan 0.000 0.470 57 T N 1.779 116.373 114.554 0.067 0.000 1.997 57 T HA -0.115 4.235 4.350 0.000 0.000 0.161 57 T C 0.394 175.079 174.700 -0.024 0.000 1.893 57 T CA 2.397 64.492 62.100 -0.008 0.000 1.126 57 T CB -0.456 68.452 68.868 0.066 0.000 0.864 57 T HN 1.070 nan 8.240 nan 0.000 0.379 58 T N 0.103 114.652 114.554 -0.009 0.000 2.957 58 T HA 0.457 4.807 4.350 0.000 0.000 0.336 58 T C -1.316 173.368 174.700 -0.026 0.000 1.462 58 T CA -0.745 61.337 62.100 -0.029 0.000 1.073 58 T CB 2.003 70.840 68.868 -0.052 0.000 1.319 58 T HN 0.235 nan 8.240 nan 0.000 0.485 59 D N 0.884 121.256 120.400 -0.047 0.000 2.891 59 D HA 0.291 4.931 4.640 0.000 0.000 0.332 59 D C -0.047 176.206 176.300 -0.079 0.000 1.369 59 D CA -0.323 53.651 54.000 -0.044 0.000 0.827 59 D CB 0.440 41.222 40.800 -0.030 0.000 1.141 59 D HN 0.211 nan 8.370 nan 0.000 0.464 60 R N -0.586 119.847 120.500 -0.112 0.000 2.808 60 R HA 0.532 4.872 4.340 0.000 0.000 0.272 60 R C -0.669 175.559 176.300 -0.121 0.000 0.995 60 R CA -0.918 55.079 56.100 -0.173 0.000 0.917 60 R CB 1.705 31.777 30.300 -0.379 0.000 1.217 60 R HN -0.078 nan 8.270 nan 0.000 0.471 61 S N 0.669 116.309 115.700 -0.101 0.000 2.523 61 S HA 0.243 4.713 4.470 0.000 0.000 0.275 61 S C -0.268 174.323 174.600 -0.016 0.000 1.281 61 S CA 0.077 58.248 58.200 -0.048 0.000 1.050 61 S CB 0.848 64.029 63.200 -0.033 0.000 0.937 61 S HN 0.538 nan 8.310 nan 0.000 0.492 62 Q N 2.216 121.998 119.800 -0.030 0.000 2.604 62 Q HA 0.528 4.868 4.340 0.000 0.000 0.352 62 Q C 0.134 176.086 176.000 -0.079 0.000 0.841 62 Q CA -0.769 55.002 55.803 -0.053 0.000 0.752 62 Q CB 0.837 29.522 28.738 -0.087 0.000 3.018 62 Q HN 0.701 nan 8.270 nan 0.000 0.247 63 R N -1.596 118.832 120.500 -0.119 0.000 3.520 63 R HA 0.288 4.628 4.340 0.000 0.000 0.097 63 R C -0.862 175.359 176.300 -0.131 0.000 0.580 63 R CA 0.026 56.063 56.100 -0.106 0.000 0.331 63 R CB -0.090 30.143 30.300 -0.111 0.000 1.019 63 R HN 0.359 nan 8.270 nan 0.000 0.320 64 L N -0.216 120.912 121.223 -0.158 0.000 4.451 64 L HA 0.127 4.467 4.340 0.000 0.000 0.483 64 L C -1.410 175.439 176.870 -0.036 0.000 0.849 64 L CA 1.095 55.862 54.840 -0.121 0.000 2.090 64 L CB 0.731 42.796 42.059 0.010 0.000 2.430 64 L HN 0.908 nan 8.230 nan 0.000 0.555 65 T N 0.419 114.958 114.554 -0.025 0.000 3.802 65 T HA 0.537 4.887 4.350 0.000 0.000 0.397 65 T C -0.947 173.757 174.700 0.006 0.000 1.404 65 T CA -0.626 61.495 62.100 0.035 0.000 1.151 65 T CB 1.445 70.359 68.868 0.076 0.000 1.329 65 T HN 0.018 nan 8.240 nan 0.000 0.474 66 L N -0.356 120.877 121.223 0.015 0.000 2.309 66 L HA 0.825 5.165 4.340 0.000 0.000 0.261 66 L C 0.195 177.093 176.870 0.045 0.000 1.021 66 L CA -1.468 53.357 54.840 -0.025 0.000 0.823 66 L CB 1.163 43.149 42.059 -0.122 0.000 1.366 66 L HN 0.804 nan 8.230 nan 0.000 0.423 67 R N 0.388 120.914 120.500 0.043 0.000 2.441 67 R HA 0.540 4.880 4.340 0.000 0.000 0.284 67 R C -1.589 174.759 176.300 0.080 0.000 1.070 67 R CA -0.100 56.139 56.100 0.232 0.000 1.047 67 R CB 0.513 30.924 30.300 0.185 0.000 1.016 67 R HN 0.666 nan 8.270 nan 0.000 0.477 68 F N 4.313 124.414 119.950 0.252 0.000 2.579 68 F HA 0.584 5.111 4.527 0.000 0.000 0.324 68 F C -0.278 175.604 175.800 0.137 0.000 1.058 68 F CA -1.033 57.083 58.000 0.193 0.000 0.944 68 F CB 1.794 40.971 39.000 0.295 0.000 1.245 68 F HN 0.399 nan 8.300 nan 0.000 0.477 69 I N 1.424 122.297 120.570 0.504 0.000 2.841 69 I HA 0.488 4.658 4.170 0.000 0.000 0.298 69 I C -2.834 173.003 176.117 -0.466 0.000 1.304 69 I CA -2.005 59.289 61.300 -0.010 0.000 1.019 69 I CB 1.886 39.916 38.000 0.049 0.000 1.282 69 I HN 0.226 nan 8.210 nan 0.000 0.432 70 P HA 0.463 nan 4.420 nan 0.000 0.341 70 P C 0.107 177.208 177.300 -0.332 0.000 1.297 70 P CA -0.332 62.255 63.100 -0.856 0.000 0.761 70 P CB 1.741 32.886 31.700 -0.925 0.000 1.574 71 V N -1.982 117.792 119.914 -0.233 0.000 3.050 71 V HA 0.129 4.249 4.120 0.000 0.000 0.223 71 V C 0.909 176.941 176.094 -0.103 0.000 1.162 71 V CA 0.643 62.869 62.300 -0.123 0.000 1.247 71 V CB -0.969 30.805 31.823 -0.083 0.000 1.125 71 V HN 0.424 nan 8.190 nan 0.000 0.508 72 D N 0.920 121.256 120.400 -0.106 0.000 2.472 72 D HA 0.089 4.729 4.640 0.000 0.000 0.237 72 D C 0.314 176.519 176.300 -0.157 0.000 1.141 72 D CA 0.282 54.219 54.000 -0.104 0.000 0.875 72 D CB 0.791 41.533 40.800 -0.097 0.000 1.192 72 D HN 0.327 nan 8.370 nan 0.000 0.450 73 R N 1.158 121.577 120.500 -0.135 0.000 2.659 73 R HA 0.126 4.466 4.340 0.000 0.000 0.418 73 R C 0.061 176.268 176.300 -0.155 0.000 1.076 73 R CA -0.445 55.542 56.100 -0.187 0.000 1.093 73 R CB 0.183 30.497 30.300 0.024 0.000 1.400 73 R HN 0.347 nan 8.270 nan 0.000 0.583 74 E N 1.550 121.660 120.200 -0.150 0.000 2.328 74 E HA 0.024 4.374 4.350 0.000 0.000 0.265 74 E C -0.797 175.791 176.600 -0.020 0.000 1.057 74 E CA -0.238 56.128 56.400 -0.057 0.000 0.916 74 E CB 0.588 30.258 29.700 -0.049 0.000 0.993 74 E HN 0.054 nan 8.360 nan 0.000 0.446 75 D N 2.568 123.028 120.400 0.100 0.000 2.453 75 D HA 0.528 5.168 4.640 0.000 0.000 0.282 75 D C -0.281 176.101 176.300 0.137 0.000 1.222 75 D CA 0.106 54.223 54.000 0.194 0.000 1.079 75 D CB 1.066 41.984 40.800 0.197 0.000 1.128 75 D HN 0.685 nan 8.370 nan 0.000 0.568 76 T N -2.269 112.364 114.554 0.132 0.000 2.684 76 T HA 0.506 4.856 4.350 0.000 0.000 0.279 76 T C -0.308 174.458 174.700 0.111 0.000 1.997 76 T CA -0.168 62.013 62.100 0.136 0.000 0.938 76 T CB 0.198 69.220 68.868 0.257 0.000 2.162 76 T HN 0.193 nan 8.240 nan 0.000 0.423 77 A N -0.108 122.795 122.820 0.139 0.000 2.343 77 A HA 0.505 4.825 4.320 0.000 0.000 0.223 77 A C 0.503 178.252 177.584 0.274 0.000 1.214 77 A CA 0.318 52.425 52.037 0.116 0.000 0.900 77 A CB -0.307 18.693 19.000 0.001 0.000 0.942 77 A HN 1.034 nan 8.150 nan 0.000 0.507 78 Y N -2.892 117.474 120.300 0.111 0.000 2.919 78 Y HA 0.642 5.192 4.550 0.000 0.000 0.245 78 Y C -0.656 175.378 175.900 0.222 0.000 0.959 78 Y CA -0.220 58.002 58.100 0.203 0.000 1.118 78 Y CB 0.050 38.696 38.460 0.310 0.000 1.224 78 Y HN 0.013 nan 8.280 nan 0.000 0.658 79 S N 0.951 116.785 115.700 0.222 0.000 2.744 79 S HA 0.156 4.626 4.470 0.000 0.000 0.284 79 S C -2.301 172.477 174.600 0.297 0.000 0.979 79 S CA -0.780 57.535 58.200 0.192 0.000 0.870 79 S CB 0.816 64.021 63.200 0.008 0.000 1.094 79 S HN 0.436 nan 8.310 nan 0.000 0.458 80 Y N 2.497 122.968 120.300 0.285 0.000 2.426 80 Y HA 0.489 5.039 4.550 0.000 0.000 0.325 80 Y C -0.078 175.984 175.900 0.269 0.000 0.989 80 Y CA -0.565 57.735 58.100 0.332 0.000 1.284 80 Y CB 0.446 39.350 38.460 0.740 0.000 1.104 80 Y HN 0.476 nan 8.280 nan 0.000 0.481 81 K N 3.418 123.765 120.400 -0.089 0.000 2.127 81 K HA 0.855 5.175 4.320 0.000 0.000 0.240 81 K C -0.576 175.868 176.600 -0.260 0.000 1.024 81 K CA 0.653 56.860 56.287 -0.132 0.000 0.918 81 K CB 1.505 33.953 32.500 -0.088 0.000 1.108 81 K HN 0.845 nan 8.250 nan 0.000 0.485 82 A N 0.858 123.588 122.820 -0.150 0.000 5.534 82 A HA 0.573 4.893 4.320 0.000 0.000 0.112 82 A C -1.437 176.097 177.584 -0.083 0.000 1.126 82 A CA -0.327 51.622 52.037 -0.146 0.000 1.849 82 A CB 0.645 19.554 19.000 -0.151 0.000 2.644 82 A HN 0.570 nan 8.150 nan 0.000 1.204 83 R N -1.377 119.084 120.500 -0.065 0.000 5.523 83 R HA 0.444 4.784 4.340 0.000 0.000 0.269 83 R C -2.278 173.984 176.300 -0.063 0.000 0.936 83 R CA -0.059 56.032 56.100 -0.017 0.000 1.517 83 R CB 0.010 30.285 30.300 -0.042 0.000 1.223 83 R HN 0.590 nan 8.270 nan 0.000 0.672 84 F N 0.955 120.883 119.950 -0.036 0.000 2.450 84 F HA 0.581 5.108 4.527 0.000 0.000 0.328 84 F C 0.567 176.314 175.800 -0.088 0.000 1.068 84 F CA -0.181 57.747 58.000 -0.119 0.000 1.007 84 F CB 2.556 41.419 39.000 -0.227 0.000 1.251 84 F HN 0.339 nan 8.300 nan 0.000 0.492 85 T N 3.394 117.987 114.554 0.064 0.000 3.446 85 T HA 0.330 4.680 4.350 0.000 0.000 0.289 85 T C -1.046 173.688 174.700 0.056 0.000 1.203 85 T CA -0.424 61.718 62.100 0.071 0.000 1.645 85 T CB -0.200 68.709 68.868 0.069 0.000 0.841 85 T HN 0.047 nan 8.240 nan 0.000 0.617 86 L N 2.510 123.732 121.223 -0.002 0.000 2.255 86 L HA 0.798 5.138 4.340 0.000 0.000 0.289 86 L C 0.247 177.249 176.870 0.220 0.000 1.046 86 L CA -0.518 54.328 54.840 0.010 0.000 0.816 86 L CB 0.735 42.659 42.059 -0.225 0.000 1.197 86 L HN 0.599 nan 8.230 nan 0.000 0.427 87 A N 3.269 126.281 122.820 0.320 0.000 2.499 87 A HA 0.547 4.867 4.320 0.000 0.000 0.280 87 A C -0.385 177.387 177.584 0.313 0.000 1.135 87 A CA -0.623 51.703 52.037 0.482 0.000 0.744 87 A CB 0.917 20.052 19.000 0.224 0.000 1.213 87 A HN 0.297 nan 8.150 nan 0.000 0.434 88 V N 2.859 122.992 119.914 0.365 0.000 2.691 88 V HA -0.083 4.037 4.120 0.000 0.000 0.262 88 V C 1.597 177.779 176.094 0.148 0.000 0.954 88 V CA 1.446 63.889 62.300 0.239 0.000 1.171 88 V CB -0.553 31.412 31.823 0.236 0.000 0.957 88 V HN 1.025 nan 8.190 nan 0.000 0.466 89 G N 4.272 113.147 108.800 0.125 0.000 2.894 89 G HA2 0.201 4.161 3.960 0.000 0.000 0.265 89 G HA3 0.201 4.161 3.960 0.000 0.000 0.265 89 G C 0.007 174.937 174.900 0.049 0.000 0.735 89 G CA -0.242 44.901 45.100 0.072 0.000 2.064 89 G HN 0.906 nan 8.290 nan 0.000 0.590 90 D N -0.314 120.114 120.400 0.047 0.000 9.054 90 D HA -0.202 4.438 4.640 0.000 0.000 0.288 90 D C 0.746 177.053 176.300 0.013 0.000 2.510 90 D CA 1.299 55.310 54.000 0.018 0.000 2.292 90 D CB -0.518 40.272 40.800 -0.016 0.000 0.976 90 D HN 0.537 nan 8.370 nan 0.000 0.698 91 N N -0.236 118.480 118.700 0.026 0.000 2.815 91 N HA -0.251 4.489 4.740 0.000 0.000 0.249 91 N C -1.068 174.556 175.510 0.190 0.000 1.114 91 N CA 0.988 54.062 53.050 0.040 0.000 0.717 91 N CB -0.242 38.193 38.487 -0.087 0.000 1.074 91 N HN 0.426 nan 8.380 nan 0.000 0.555 92 R N -0.284 120.340 120.500 0.207 0.000 2.476 92 R HA 0.746 5.086 4.340 0.000 0.000 0.305 92 R C -0.059 176.305 176.300 0.107 0.000 0.965 92 R CA -0.324 56.012 56.100 0.393 0.000 0.867 92 R CB 1.779 32.301 30.300 0.369 0.000 1.176 92 R HN 0.139 nan 8.270 nan 0.000 0.447 93 V N 1.206 120.907 119.914 -0.354 0.000 3.109 93 V HA 0.911 5.031 4.120 0.000 0.000 0.311 93 V C -1.644 174.081 176.094 -0.615 0.000 1.389 93 V CA -0.737 61.320 62.300 -0.404 0.000 1.034 93 V CB 1.863 33.511 31.823 -0.293 0.000 1.105 93 V HN 0.738 nan 8.190 nan 0.000 0.477 94 L N -0.706 120.312 121.223 -0.341 0.000 3.618 94 L HA 0.491 4.831 4.340 0.000 0.000 0.214 94 L C -1.295 175.534 176.870 -0.067 0.000 1.016 94 L CA -0.087 54.640 54.840 -0.187 0.000 1.053 94 L CB 0.695 42.720 42.059 -0.058 0.000 1.447 94 L HN 1.058 nan 8.230 nan 0.000 0.399 95 D N 2.118 122.513 120.400 -0.009 0.000 2.414 95 D HA 0.434 5.074 4.640 0.000 0.000 0.259 95 D C 0.492 176.795 176.300 0.005 0.000 1.269 95 D CA -0.066 53.937 54.000 0.006 0.000 1.028 95 D CB 0.836 41.657 40.800 0.035 0.000 1.093 95 D HN 0.721 nan 8.370 nan 0.000 0.545 96 M N -0.051 119.542 119.600 -0.011 0.000 2.338 96 M HA 0.197 4.677 4.480 0.000 0.000 0.276 96 M C 1.449 177.746 176.300 -0.005 0.000 1.057 96 M CA 0.037 55.325 55.300 -0.020 0.000 1.079 96 M CB -0.273 32.285 32.600 -0.069 0.000 1.547 96 M HN 0.334 nan 8.290 nan 0.000 0.549 97 A N 1.020 123.845 122.820 0.008 0.000 2.167 97 A HA 0.034 4.354 4.320 0.000 0.000 0.214 97 A C 1.757 179.402 177.584 0.103 0.000 1.151 97 A CA 1.317 53.376 52.037 0.037 0.000 0.735 97 A CB -0.427 18.604 19.000 0.051 0.000 0.802 97 A HN 0.471 nan 8.150 nan 0.000 0.467 98 S N 0.508 116.273 115.700 0.109 0.000 2.519 98 S HA 0.361 4.830 4.470 0.000 0.000 0.245 98 S C -0.106 174.606 174.600 0.187 0.000 1.152 98 S CA 0.105 58.404 58.200 0.165 0.000 1.175 98 S CB -0.789 62.491 63.200 0.135 0.000 0.829 98 S HN 0.320 nan 8.310 nan 0.000 0.472 99 T N 1.177 115.838 114.554 0.178 0.000 2.893 99 T HA 0.676 5.026 4.350 0.000 0.000 0.293 99 T C -0.945 173.870 174.700 0.192 0.000 1.027 99 T CA -0.716 61.490 62.100 0.177 0.000 0.988 99 T CB 1.288 70.220 68.868 0.106 0.000 1.043 99 T HN 0.600 nan 8.240 nan 0.000 0.461 100 Y N 0.532 120.910 120.300 0.130 0.000 2.744 100 Y HA 0.874 5.424 4.550 0.000 0.000 0.330 100 Y C -2.546 173.542 175.900 0.312 0.000 1.263 100 Y CA -2.312 55.747 58.100 -0.068 0.000 1.065 100 Y CB 1.028 39.600 38.460 0.187 0.000 1.306 100 Y HN 0.541 nan 8.280 nan 0.000 0.459 101 F N 0.274 120.362 119.950 0.230 0.000 2.599 101 F HA 0.601 5.128 4.527 0.000 0.000 0.311 101 F C -1.112 174.758 175.800 0.116 0.000 1.076 101 F CA -1.847 56.087 58.000 -0.111 0.000 0.937 101 F CB 1.838 40.744 39.000 -0.156 0.000 1.282 101 F HN 0.522 nan 8.300 nan 0.000 0.460 102 D N 1.825 122.272 120.400 0.078 0.000 2.411 102 D HA 0.425 5.065 4.640 0.000 0.000 0.239 102 D C -0.089 176.150 176.300 -0.101 0.000 1.307 102 D CA -0.007 53.937 54.000 -0.093 0.000 0.930 102 D CB 0.829 41.703 40.800 0.122 0.000 1.395 102 D HN 0.352 nan 8.370 nan 0.000 0.536 103 I N 0.725 121.182 120.570 -0.187 0.000 2.926 103 I HA 0.388 4.558 4.170 0.000 0.000 0.198 103 I C 0.775 177.072 176.117 0.301 0.000 1.339 103 I CA -0.459 60.800 61.300 -0.068 0.000 0.659 103 I CB 0.410 38.094 38.000 -0.527 0.000 1.805 103 I HN 0.127 nan 8.210 nan 0.000 0.995 104 R N -0.452 120.186 120.500 0.231 0.000 3.599 104 R HA 0.380 4.720 4.340 0.000 0.000 0.310 104 R C -1.040 175.332 176.300 0.119 0.000 1.004 104 R CA 0.139 56.400 56.100 0.267 0.000 1.105 104 R CB 0.299 30.682 30.300 0.138 0.000 1.350 104 R HN 0.963 nan 8.270 nan 0.000 0.412 105 G N 1.425 110.171 108.800 -0.090 0.000 3.000 105 G HA2 0.500 4.460 3.960 0.000 0.000 0.170 105 G HA3 0.500 4.460 3.960 0.000 0.000 0.170 105 G C -1.292 173.182 174.900 -0.710 0.000 1.160 105 G CA -0.186 44.784 45.100 -0.216 0.000 0.945 105 G HN 0.200 nan 8.290 nan 0.000 0.593 106 V N 0.419 120.095 119.914 -0.396 0.000 2.732 106 V HA 0.791 4.911 4.120 0.000 0.000 0.310 106 V C -0.773 175.229 176.094 -0.153 0.000 1.053 106 V CA -0.526 61.576 62.300 -0.330 0.000 0.957 106 V CB 1.573 33.317 31.823 -0.132 0.000 1.018 106 V HN 0.589 nan 8.190 nan 0.000 0.452 107 L N 2.143 123.311 121.223 -0.091 0.000 2.493 107 L HA 0.547 4.887 4.340 0.000 0.000 0.265 107 L C -0.187 176.841 176.870 0.264 0.000 0.954 107 L CA 0.229 55.161 54.840 0.154 0.000 0.844 107 L CB 2.215 44.400 42.059 0.210 0.000 1.302 107 L HN 0.688 nan 8.230 nan 0.000 0.405 108 D N 2.589 123.166 120.400 0.294 0.000 2.479 108 D HA 0.155 4.795 4.640 0.000 0.000 0.218 108 D C 1.244 177.585 176.300 0.069 0.000 1.177 108 D CA -0.071 54.100 54.000 0.285 0.000 0.830 108 D CB 0.538 41.465 40.800 0.212 0.000 1.014 108 D HN 0.573 nan 8.370 nan 0.000 0.503 109 R N -0.126 120.428 120.500 0.090 0.000 3.326 109 R HA -0.246 4.094 4.340 0.000 0.000 0.638 109 R C 0.812 177.144 176.300 0.054 0.000 0.241 109 R CA 2.223 58.347 56.100 0.039 0.000 1.950 109 R CB -1.149 29.074 30.300 -0.129 0.000 0.768 109 R HN 0.264 nan 8.270 nan 0.000 0.650 110 G N -1.836 107.000 108.800 0.060 0.000 2.704 110 G HA2 0.466 4.426 3.960 0.000 0.000 0.279 110 G HA3 0.466 4.426 3.960 0.000 0.000 0.279 110 G C -2.639 172.300 174.900 0.066 0.000 1.510 110 G CA -0.920 44.223 45.100 0.071 0.000 1.144 110 G HN 0.217 nan 8.290 nan 0.000 0.564 111 P HA -0.021 nan 4.420 nan 0.000 0.301 111 P C 1.154 178.484 177.300 0.049 0.000 1.445 111 P CA 1.204 64.302 63.100 -0.004 0.000 0.741 111 P CB -0.024 31.653 31.700 -0.038 0.000 1.426 112 T N -7.575 107.022 114.554 0.072 0.000 3.130 112 T HA 0.163 4.513 4.350 0.000 0.000 0.288 112 T C 0.367 175.122 174.700 0.092 0.000 0.936 112 T CA -0.425 61.717 62.100 0.070 0.000 0.897 112 T CB -0.729 68.069 68.868 -0.116 0.000 1.178 112 T HN -0.141 nan 8.240 nan 0.000 0.543 113 F N 3.066 122.997 119.950 -0.031 0.000 2.711 113 F HA 0.286 4.813 4.527 0.000 0.000 0.299 113 F C 0.653 176.419 175.800 -0.056 0.000 1.110 113 F CA 0.747 58.728 58.000 -0.030 0.000 1.307 113 F CB 0.354 39.349 39.000 -0.009 0.000 1.028 113 F HN 0.277 nan 8.300 nan 0.000 0.643 114 K N 2.269 122.266 120.400 -0.672 0.000 2.214 114 K HA 0.108 4.428 4.320 0.000 0.000 0.381 114 K C -2.780 173.391 176.600 -0.716 0.000 1.577 114 K CA -0.676 55.267 56.287 -0.572 0.000 1.215 114 K CB 0.622 32.886 32.500 -0.393 0.000 1.416 114 K HN 0.158 nan 8.250 nan 0.000 0.465 115 P HA 0.134 nan 4.420 nan 0.000 0.258 115 P C -0.815 176.542 177.300 0.095 0.000 1.416 115 P CA 0.337 63.352 63.100 -0.142 0.000 0.927 115 P CB -0.300 31.538 31.700 0.230 0.000 1.444 116 Y N -3.715 116.618 120.300 0.055 0.000 2.338 116 Y HA 0.606 5.156 4.550 0.000 0.000 0.235 116 Y C -0.840 175.129 175.900 0.116 0.000 1.814 116 Y CA -0.877 57.283 58.100 0.100 0.000 1.013 116 Y CB -0.370 38.129 38.460 0.065 0.000 3.775 116 Y HN -0.150 nan 8.280 nan 0.000 0.265 117 S N -0.449 115.485 115.700 0.389 0.000 2.611 117 S HA 0.765 5.235 4.470 0.000 0.000 0.270 117 S C -0.452 174.356 174.600 0.347 0.000 1.131 117 S CA -0.347 57.998 58.200 0.242 0.000 0.826 117 S CB 1.291 64.611 63.200 0.201 0.000 1.095 117 S HN 2.261 nan 8.310 nan 0.000 0.461 118 G N -0.397 108.519 108.800 0.194 0.000 2.340 118 G HA2 0.406 4.366 3.960 0.000 0.000 0.282 118 G HA3 0.406 4.366 3.960 0.000 0.000 0.282 118 G C -1.210 173.709 174.900 0.032 0.000 1.312 118 G CA -0.062 45.110 45.100 0.119 0.000 0.942 118 G HN 1.244 nan 8.290 nan 0.000 0.495 119 T N 0.870 115.363 114.554 -0.102 0.000 3.477 119 T HA 0.583 4.933 4.350 0.000 0.000 0.277 119 T C 1.261 175.753 174.700 -0.347 0.000 1.090 119 T CA 0.827 62.743 62.100 -0.306 0.000 1.635 119 T CB 0.305 68.722 68.868 -0.752 0.000 0.817 119 T HN 1.663 nan 8.240 nan 0.000 0.609 120 A N 1.379 124.004 122.820 -0.325 0.000 1.877 120 A HA -0.150 4.170 4.320 0.000 0.000 0.218 120 A C 0.413 177.778 177.584 -0.365 0.000 1.301 120 A CA 1.595 53.383 52.037 -0.416 0.000 0.699 120 A CB -0.930 17.670 19.000 -0.666 0.000 0.844 120 A HN 0.667 nan 8.150 nan 0.000 0.464 121 Y N 1.308 121.522 120.300 -0.143 0.000 2.783 121 Y HA 0.159 4.709 4.550 0.000 0.000 0.359 121 Y C 0.739 176.557 175.900 -0.137 0.000 1.220 121 Y CA 0.027 58.040 58.100 -0.146 0.000 1.649 121 Y CB -1.437 36.924 38.460 -0.165 0.000 1.273 121 Y HN 0.483 nan 8.280 nan 0.000 0.506 122 N N 1.014 119.727 118.700 0.022 0.000 2.663 122 N HA -0.191 4.549 4.740 0.000 0.000 0.263 122 N C 0.167 175.622 175.510 -0.091 0.000 1.109 122 N CA 0.457 53.508 53.050 0.002 0.000 0.701 122 N CB -0.480 38.041 38.487 0.057 0.000 0.879 122 N HN 0.728 nan 8.380 nan 0.000 0.550 123 A N 0.472 123.205 122.820 -0.146 0.000 2.302 123 A HA 0.186 4.506 4.320 0.000 0.000 0.219 123 A C 1.357 179.000 177.584 0.099 0.000 1.243 123 A CA 0.151 52.055 52.037 -0.222 0.000 0.856 123 A CB 0.237 19.129 19.000 -0.181 0.000 0.893 123 A HN 0.522 nan 8.150 nan 0.000 0.491 124 L N -0.314 120.963 121.223 0.091 0.000 3.110 124 L HA 0.362 4.702 4.340 0.000 0.000 0.266 124 L C 0.582 177.530 176.870 0.129 0.000 1.257 124 L CA -0.085 54.821 54.840 0.109 0.000 1.038 124 L CB 0.711 42.805 42.059 0.057 0.000 1.395 124 L HN 0.317 nan 8.230 nan 0.000 0.566 125 A N 0.726 123.672 122.820 0.211 0.000 2.923 125 A HA 0.547 4.867 4.320 0.000 0.000 0.343 125 A C -2.335 175.378 177.584 0.214 0.000 1.199 125 A CA -1.361 50.795 52.037 0.198 0.000 0.878 125 A CB -0.322 18.810 19.000 0.219 0.000 1.104 125 A HN 0.012 nan 8.150 nan 0.000 0.483 126 P HA -0.195 nan 4.420 nan 0.000 0.271 126 P C 0.324 177.555 177.300 -0.115 0.000 1.145 126 P CA 0.791 63.897 63.100 0.010 0.000 0.751 126 P CB 0.558 32.263 31.700 0.008 0.000 0.742 127 K N 1.313 121.573 120.400 -0.234 0.000 2.365 127 K HA 0.100 4.420 4.320 0.000 0.000 0.199 127 K C 1.480 177.980 176.600 -0.167 0.000 1.045 127 K CA 1.261 57.340 56.287 -0.346 0.000 0.962 127 K CB -0.059 32.248 32.500 -0.322 0.000 0.759 127 K HN 0.581 nan 8.250 nan 0.000 0.469 128 G N 0.123 108.865 108.800 -0.096 0.000 4.766 128 G HA2 0.599 4.559 3.960 0.000 0.000 0.331 128 G HA3 0.599 4.559 3.960 0.000 0.000 0.331 128 G C -1.003 173.877 174.900 -0.034 0.000 1.473 128 G CA -0.064 45.003 45.100 -0.054 0.000 1.076 128 G HN 0.167 nan 8.290 nan 0.000 0.544 129 A N 1.605 124.407 122.820 -0.030 0.000 1.668 129 A HA 0.548 4.868 4.320 0.000 0.000 0.256 129 A C -2.787 174.799 177.584 0.003 0.000 0.976 129 A CA -0.802 51.227 52.037 -0.014 0.000 0.862 129 A CB 0.364 19.362 19.000 -0.003 0.000 0.979 129 A HN 0.309 nan 8.150 nan 0.000 0.330 130 P HA 0.324 nan 4.420 nan 0.000 0.302 130 P C 0.156 177.482 177.300 0.043 0.000 1.301 130 P CA -0.218 62.896 63.100 0.024 0.000 0.770 130 P CB 0.480 32.187 31.700 0.013 0.000 1.458 131 N N -3.127 115.608 118.700 0.059 0.000 3.179 131 N HA 0.242 4.982 4.740 0.000 0.000 0.250 131 N C -2.848 172.715 175.510 0.088 0.000 1.507 131 N CA -1.115 51.978 53.050 0.072 0.000 0.883 131 N CB 0.207 38.741 38.487 0.078 0.000 1.435 131 N HN 0.102 nan 8.380 nan 0.000 0.532 132 P HA -0.094 nan 4.420 nan 0.000 0.267 132 P C -0.358 177.003 177.300 0.102 0.000 1.145 132 P CA 0.603 63.757 63.100 0.091 0.000 0.753 132 P CB 0.099 31.842 31.700 0.071 0.000 0.748 133 C N 1.137 120.502 119.300 0.109 0.000 2.283 133 C HA 0.140 4.600 4.460 0.000 0.000 0.221 133 C C -1.203 173.883 174.990 0.160 0.000 1.066 133 C CA -0.461 58.627 59.018 0.118 0.000 1.185 133 C CB -0.390 27.427 27.740 0.128 0.000 1.224 133 C HN 0.832 nan 8.230 nan 0.000 0.542 134 E N -0.611 119.690 120.200 0.168 0.000 2.391 134 E HA 0.801 5.151 4.350 0.000 0.000 0.256 134 E C -0.991 175.855 176.600 0.410 0.000 0.975 134 E CA -0.315 56.189 56.400 0.173 0.000 0.881 134 E CB 0.475 30.067 29.700 -0.180 0.000 1.728 134 E HN 0.840 nan 8.360 nan 0.000 0.446 135 W N -0.984 120.371 121.300 0.092 0.000 3.583 135 W HA 0.714 5.374 4.660 0.000 0.000 0.376 135 W C -0.128 176.408 176.519 0.029 0.000 1.282 135 W CA -0.713 56.673 57.345 0.068 0.000 0.959 135 W CB 0.005 29.525 29.460 0.100 0.000 1.968 135 W HN 0.208 nan 8.180 nan 0.000 0.640 167 H N 1.429 120.370 119.070 -0.215 0.000 2.211 167 H HA 0.737 5.293 4.556 0.000 0.000 0.327 167 H C 0.383 175.281 175.328 -0.716 0.000 1.722 167 H CA -0.068 55.756 56.048 -0.374 0.000 1.437 167 H CB 0.635 30.332 29.762 -0.109 0.000 1.716 167 H HN 0.439 nan 8.280 nan 0.000 0.618 168 V N -2.764 116.828 119.914 -0.535 0.000 3.225 168 V HA 0.422 4.542 4.120 0.000 0.000 0.298 168 V C -1.436 174.520 176.094 -0.231 0.000 1.674 168 V CA -1.241 60.739 62.300 -0.533 0.000 1.015 168 V CB 1.297 32.949 31.823 -0.285 0.000 1.104 168 V HN 0.649 nan 8.190 nan 0.000 0.482 169 F N -1.363 118.498 119.950 -0.149 0.000 2.799 169 F HA 0.768 5.295 4.527 0.000 0.000 0.316 169 F C 0.363 176.148 175.800 -0.027 0.000 1.155 169 F CA 0.538 58.533 58.000 -0.007 0.000 0.916 169 F CB 2.206 41.284 39.000 0.129 0.000 1.294 169 F HN 1.180 nan 8.300 nan 0.000 0.447 170 G N 0.978 109.930 108.800 0.253 0.000 2.428 170 G HA2 0.551 4.511 3.960 0.000 0.000 0.305 170 G HA3 0.551 4.511 3.960 0.000 0.000 0.305 170 G C -2.252 172.705 174.900 0.094 0.000 1.260 170 G CA -0.552 44.619 45.100 0.118 0.000 0.853 170 G HN 0.661 nan 8.290 nan 0.000 0.480 171 Q N -1.217 118.612 119.800 0.048 0.000 2.736 171 Q HA 0.547 4.887 4.340 0.000 0.000 0.273 171 Q C -1.908 174.107 176.000 0.025 0.000 0.948 171 Q CA 0.032 55.862 55.803 0.045 0.000 0.854 171 Q CB 1.654 30.428 28.738 0.060 0.000 1.569 171 Q HN 2.624 nan 8.270 nan 0.000 0.405 172 A N 2.477 125.314 122.820 0.028 0.000 1.772 172 A HA 0.460 4.780 4.320 0.000 0.000 0.252 172 A C -3.027 174.578 177.584 0.036 0.000 0.832 172 A CA -0.702 51.347 52.037 0.019 0.000 0.593 172 A CB -0.190 18.809 19.000 -0.002 0.000 0.879 172 A HN 0.522 nan 8.150 nan 0.000 0.329 173 P HA 0.936 nan 4.420 nan 0.000 0.289 173 P C -0.768 176.638 177.300 0.177 0.000 1.302 173 P CA -0.593 62.563 63.100 0.095 0.000 0.923 173 P CB 1.329 33.087 31.700 0.097 0.000 1.238 174 Y N -1.574 118.734 120.300 0.014 0.000 3.042 174 Y HA 0.332 4.882 4.550 0.000 0.000 0.411 174 Y C -1.459 174.449 175.900 0.013 0.000 1.167 174 Y CA -0.633 57.473 58.100 0.011 0.000 1.206 174 Y CB 0.885 39.349 38.460 0.006 0.000 1.677 174 Y HN 0.755 nan 8.280 nan 0.000 0.465 175 S N 0.953 116.470 115.700 -0.305 0.000 2.596 175 S HA 0.974 5.444 4.470 0.000 0.000 0.270 175 S C -0.915 173.515 174.600 -0.284 0.000 1.155 175 S CA 0.123 58.185 58.200 -0.231 0.000 0.827 175 S CB 2.150 65.255 63.200 -0.159 0.000 1.130 175 S HN 1.578 nan 8.310 nan 0.000 0.467 176 G N 0.062 108.797 108.800 -0.108 0.000 2.430 176 G HA2 0.469 4.429 3.960 0.000 0.000 0.300 176 G HA3 0.469 4.429 3.960 0.000 0.000 0.300 176 G C -0.847 174.086 174.900 0.055 0.000 1.330 176 G CA -0.570 44.491 45.100 -0.065 0.000 0.813 176 G HN 0.879 nan 8.290 nan 0.000 0.487 177 I N 1.452 122.033 120.570 0.019 0.000 3.877 177 I HA 0.269 4.439 4.170 0.000 0.000 0.332 177 I C 0.025 176.083 176.117 -0.099 0.000 1.525 177 I CA -0.213 61.113 61.300 0.043 0.000 1.146 177 I CB -0.767 37.230 38.000 -0.004 0.000 1.137 177 I HN 0.609 nan 8.210 nan 0.000 0.424 178 N N 0.464 118.967 118.700 -0.328 0.000 4.302 178 N HA 0.300 5.040 4.740 0.000 0.000 0.227 178 N C -1.449 173.805 175.510 -0.427 0.000 1.246 178 N CA -0.678 51.983 53.050 -0.647 0.000 0.734 178 N CB 1.017 39.326 38.487 -0.298 0.000 1.561 178 N HN -0.037 nan 8.380 nan 0.000 0.411 179 I N -1.297 119.078 120.570 -0.324 0.000 2.994 179 I HA 0.764 4.934 4.170 0.000 0.000 0.306 179 I C -0.920 175.138 176.117 -0.099 0.000 1.195 179 I CA -0.468 60.739 61.300 -0.154 0.000 1.001 179 I CB 2.369 40.302 38.000 -0.112 0.000 1.244 179 I HN 0.816 nan 8.210 nan 0.000 0.437 180 T N 2.668 117.182 114.554 -0.066 0.000 2.802 180 T HA 0.385 4.735 4.350 0.000 0.000 0.311 180 T C -1.816 172.849 174.700 -0.059 0.000 1.405 180 T CA -0.794 61.280 62.100 -0.044 0.000 1.016 180 T CB 1.309 70.174 68.868 -0.004 0.000 1.352 180 T HN 0.542 nan 8.240 nan 0.000 0.498 181 K N 2.762 123.132 120.400 -0.050 0.000 2.229 181 K HA 0.585 4.905 4.320 0.000 0.000 0.247 181 K C 0.341 176.917 176.600 -0.041 0.000 1.117 181 K CA -0.426 55.822 56.287 -0.066 0.000 1.036 181 K CB 0.635 33.120 32.500 -0.025 0.000 1.654 181 K HN 0.739 nan 8.250 nan 0.000 0.405 182 E N 0.969 121.146 120.200 -0.038 0.000 1.119 182 E HA -0.031 4.319 4.350 0.000 0.000 0.202 182 E C -0.490 176.112 176.600 0.003 0.000 0.912 182 E CA 0.324 56.702 56.400 -0.036 0.000 0.851 182 E CB -0.042 29.625 29.700 -0.055 0.000 4.846 182 E HN 0.674 nan 8.360 nan 0.000 0.582 183 G N 2.328 111.148 108.800 0.034 0.000 2.936 183 G HA2 0.193 4.153 3.960 0.000 0.000 0.227 183 G HA3 0.193 4.153 3.960 0.000 0.000 0.227 183 G C -0.130 174.840 174.900 0.116 0.000 3.708 183 G CA -0.333 44.818 45.100 0.085 0.000 0.519 183 G HN 0.549 nan 8.290 nan 0.000 0.369 184 I N -0.655 119.963 120.570 0.080 0.000 3.229 184 I HA 0.047 4.217 4.170 0.000 0.000 0.341 184 I C 0.318 176.479 176.117 0.075 0.000 1.181 184 I CA 0.403 61.733 61.300 0.051 0.000 1.491 184 I CB 0.580 38.601 38.000 0.036 0.000 1.281 184 I HN 0.507 nan 8.210 nan 0.000 0.524 185 Q N 5.036 124.859 119.800 0.038 0.000 2.317 185 Q HA 0.720 5.060 4.340 0.000 0.000 0.229 185 Q C 0.207 176.197 176.000 -0.016 0.000 0.984 185 Q CA 0.103 55.922 55.803 0.026 0.000 0.911 185 Q CB 1.508 30.248 28.738 0.005 0.000 1.217 185 Q HN 0.719 nan 8.270 nan 0.000 0.501 186 I N -2.694 117.852 120.570 -0.040 0.000 3.097 186 I HA 0.619 4.789 4.170 0.000 0.000 0.176 186 I C 0.539 176.617 176.117 -0.066 0.000 0.453 186 I CA -0.927 60.343 61.300 -0.050 0.000 2.938 186 I CB -0.396 37.583 38.000 -0.036 0.000 1.375 186 I HN 0.660 nan 8.210 nan 0.000 0.492 187 G N 1.011 109.771 108.800 -0.066 0.000 3.214 187 G HA2 0.146 4.106 3.960 0.000 0.000 0.226 187 G HA3 0.146 4.106 3.960 0.000 0.000 0.226 187 G C -0.130 174.729 174.900 -0.069 0.000 0.901 187 G CA 0.641 45.700 45.100 -0.067 0.000 0.988 187 G HN 1.012 nan 8.290 nan 0.000 0.422 188 V N 1.151 121.033 119.914 -0.054 0.000 2.886 188 V HA 0.162 4.282 4.120 0.000 0.000 0.368 188 V C 0.289 176.359 176.094 -0.039 0.000 1.313 188 V CA -0.568 61.704 62.300 -0.047 0.000 1.491 188 V CB 0.748 32.548 31.823 -0.037 0.000 1.345 188 V HN 0.780 nan 8.190 nan 0.000 0.646 189 E N 2.663 122.837 120.200 -0.043 0.000 2.443 189 E HA 0.344 4.694 4.350 0.000 0.000 0.310 189 E C 1.344 177.927 176.600 -0.028 0.000 1.202 189 E CA 0.855 57.235 56.400 -0.033 0.000 1.301 189 E CB 0.071 29.750 29.700 -0.034 0.000 1.104 189 E HN 0.824 nan 8.360 nan 0.000 0.487 190 G N 2.508 111.293 108.800 -0.024 0.000 3.298 190 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 190 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 190 G C 0.592 175.480 174.900 -0.021 0.000 1.681 190 G CA -0.158 44.930 45.100 -0.020 0.000 1.094 190 G HN 0.448 nan 8.290 nan 0.000 0.575 191 Q N 1.802 121.589 119.800 -0.021 0.000 2.179 191 Q HA 0.334 4.674 4.340 0.000 0.000 0.213 191 Q C -0.163 175.822 176.000 -0.026 0.000 0.833 191 Q CA 0.871 56.662 55.803 -0.020 0.000 0.990 191 Q CB 0.818 29.548 28.738 -0.014 0.000 1.132 191 Q HN 0.754 nan 8.270 nan 0.000 0.493 192 T N -0.849 113.683 114.554 -0.036 0.000 2.909 192 T HA 0.625 4.975 4.350 0.000 0.000 0.299 192 T C -2.889 171.766 174.700 -0.074 0.000 1.073 192 T CA -1.774 60.296 62.100 -0.049 0.000 0.999 192 T CB 2.278 71.118 68.868 -0.048 0.000 1.098 192 T HN -0.144 nan 8.240 nan 0.000 0.477 193 P HA 0.673 nan 4.420 nan 0.000 0.292 193 P C -0.854 176.276 177.300 -0.283 0.000 1.308 193 P CA -0.845 62.169 63.100 -0.143 0.000 0.933 193 P CB 2.018 33.656 31.700 -0.104 0.000 1.217 194 K N -0.080 120.118 120.400 -0.337 0.000 2.246 194 K HA 0.571 4.891 4.320 0.000 0.000 0.239 194 K C -0.317 175.932 176.600 -0.585 0.000 1.089 194 K CA -0.337 55.590 56.287 -0.600 0.000 0.892 194 K CB 0.984 33.303 32.500 -0.302 0.000 1.334 194 K HN 0.482 nan 8.250 nan 0.000 0.507 195 Y N -2.008 118.299 120.300 0.012 0.000 2.131 195 Y HA 0.751 5.301 4.550 0.000 0.000 0.086 195 Y C -0.783 175.132 175.900 0.023 0.000 1.396 195 Y CA -0.808 57.302 58.100 0.016 0.000 1.675 195 Y CB 0.002 38.474 38.460 0.021 0.000 1.147 195 Y HN 0.501 nan 8.280 nan 0.000 0.206 196 A N -0.196 122.838 122.820 0.358 0.000 2.601 196 A HA 0.531 4.851 4.320 0.000 0.000 0.291 196 A C -2.199 175.452 177.584 0.111 0.000 1.075 196 A CA -0.357 51.784 52.037 0.174 0.000 0.671 196 A CB 1.319 20.387 19.000 0.112 0.000 1.277 196 A HN 0.522 nan 8.150 nan 0.000 0.417 197 D N 0.457 120.888 120.400 0.052 0.000 2.210 197 D HA 0.489 5.129 4.640 0.000 0.000 0.249 197 D C 0.718 176.984 176.300 -0.057 0.000 1.062 197 D CA -0.215 53.801 54.000 0.028 0.000 0.891 197 D CB 0.894 41.737 40.800 0.072 0.000 1.186 197 D HN 0.547 nan 8.370 nan 0.000 0.432 198 K N 1.119 121.489 120.400 -0.051 0.000 2.660 198 K HA 0.361 4.681 4.320 0.000 0.000 0.262 198 K C 0.688 177.233 176.600 -0.092 0.000 0.981 198 K CA -0.318 55.866 56.287 -0.171 0.000 1.532 198 K CB -0.779 31.687 32.500 -0.057 0.000 2.490 198 K HN 0.422 nan 8.250 nan 0.000 0.886 199 T N -0.128 114.390 114.554 -0.061 0.000 11.768 199 T HA -0.294 4.056 4.350 0.000 0.000 0.418 199 T C 0.728 175.481 174.700 0.088 0.000 1.447 199 T CA 2.600 64.720 62.100 0.032 0.000 2.407 199 T CB -1.005 67.912 68.868 0.082 0.000 2.876 199 T HN 0.741 nan 8.240 nan 0.000 0.925 200 F N 0.248 120.132 119.950 -0.111 0.000 2.925 200 F HA 0.550 5.077 4.527 0.000 0.000 0.359 200 F C 0.383 176.112 175.800 -0.118 0.000 1.038 200 F CA -0.582 57.360 58.000 -0.095 0.000 1.130 200 F CB 0.548 39.514 39.000 -0.057 0.000 1.093 200 F HN 0.169 nan 8.300 nan 0.000 0.561 201 Q N 2.178 121.637 119.800 -0.569 0.000 2.195 201 Q HA 0.380 4.720 4.340 0.000 0.000 0.250 201 Q C -1.959 173.774 176.000 -0.445 0.000 0.988 201 Q CA -1.964 53.455 55.803 -0.641 0.000 0.911 201 Q CB 1.748 30.170 28.738 -0.526 0.000 1.258 201 Q HN 0.017 nan 8.270 nan 0.000 0.475 202 P HA 0.035 nan 4.420 nan 0.000 0.323 202 P C -0.690 176.360 177.300 -0.416 0.000 1.435 202 P CA 0.328 63.214 63.100 -0.356 0.000 0.853 202 P CB 0.572 32.094 31.700 -0.296 0.000 2.066 203 E N -2.005 117.964 120.200 -0.385 0.000 2.390 203 E HA 0.299 4.649 4.350 0.000 0.000 0.277 203 E C -2.059 174.398 176.600 -0.239 0.000 0.939 203 E CA -1.551 54.668 56.400 -0.302 0.000 0.769 203 E CB 1.724 31.268 29.700 -0.259 0.000 1.251 203 E HN 0.112 nan 8.360 nan 0.000 0.450 204 P HA -0.180 nan 4.420 nan 0.000 0.207 204 P C 0.713 177.973 177.300 -0.067 0.000 1.072 204 P CA 0.985 64.032 63.100 -0.088 0.000 0.798 204 P CB 0.046 31.716 31.700 -0.050 0.000 0.570 205 Q N -0.411 119.368 119.800 -0.035 0.000 2.528 205 Q HA -0.101 4.239 4.340 0.000 0.000 0.217 205 Q C 0.632 176.626 176.000 -0.011 0.000 0.988 205 Q CA 0.692 56.487 55.803 -0.013 0.000 0.900 205 Q CB -1.149 27.589 28.738 -0.000 0.000 0.947 205 Q HN 0.211 nan 8.270 nan 0.000 0.502 206 I N 1.572 122.117 120.570 -0.040 0.000 3.185 206 I HA -0.110 4.060 4.170 0.000 0.000 0.300 206 I C 0.977 177.108 176.117 0.025 0.000 1.245 206 I CA 1.234 62.519 61.300 -0.025 0.000 1.413 206 I CB -0.282 37.658 38.000 -0.100 0.000 1.324 206 I HN 0.334 nan 8.210 nan 0.000 0.588 207 G N 4.438 113.275 108.800 0.061 0.000 2.322 207 G HA2 0.238 4.198 3.960 0.000 0.000 0.309 207 G HA3 0.238 4.198 3.960 0.000 0.000 0.309 207 G C -0.196 174.777 174.900 0.121 0.000 1.121 207 G CA -0.459 44.692 45.100 0.086 0.000 0.886 207 G HN 0.623 nan 8.290 nan 0.000 0.447 208 E N 2.439 122.715 120.200 0.127 0.000 2.257 208 E HA 0.092 4.442 4.350 0.000 0.000 0.278 208 E C 0.950 177.632 176.600 0.137 0.000 1.049 208 E CA -0.150 56.336 56.400 0.143 0.000 0.876 208 E CB 1.330 31.125 29.700 0.158 0.000 1.035 208 E HN 0.428 nan 8.360 nan 0.000 0.419 209 S N 3.191 118.954 115.700 0.106 0.000 2.456 209 S HA -0.230 4.240 4.470 0.000 0.000 0.232 209 S C 1.265 175.950 174.600 0.141 0.000 1.046 209 S CA 1.275 59.528 58.200 0.089 0.000 1.175 209 S CB 0.042 63.264 63.200 0.036 0.000 1.129 209 S HN 0.486 nan 8.310 nan 0.000 0.420 210 Q N -0.709 119.167 119.800 0.127 0.000 3.007 210 Q HA 0.158 4.498 4.340 0.000 0.000 0.263 210 Q C 1.451 177.676 176.000 0.375 0.000 1.155 210 Q CA 0.647 56.582 55.803 0.221 0.000 0.415 210 Q CB -0.223 28.514 28.738 -0.001 0.000 5.520 210 Q HN 0.890 nan 8.270 nan 0.000 0.331 211 W N -3.374 118.116 121.300 0.317 0.000 0.846 211 W HA 0.053 4.713 4.660 0.000 0.000 0.139 211 W C 0.299 176.963 176.519 0.241 0.000 0.620 211 W CA -0.293 57.175 57.345 0.205 0.000 0.444 211 W CB -0.614 28.909 29.460 0.106 0.000 0.644 211 W HN 0.259 nan 8.180 nan 0.000 0.404 212 Y N 3.807 123.517 120.300 -0.983 0.000 2.914 212 Y HA -0.070 4.480 4.550 0.000 0.000 0.520 212 Y C 1.852 177.589 175.900 -0.270 0.000 1.244 212 Y CA 1.534 59.097 58.100 -0.896 0.000 2.199 212 Y CB -0.856 37.128 38.460 -0.792 0.000 1.746 212 Y HN 0.132 nan 8.280 nan 0.000 0.711 213 E N -1.130 119.069 120.200 -0.001 0.000 3.575 213 E HA 0.260 4.610 4.350 0.000 0.000 0.201 213 E C -0.201 176.377 176.600 -0.037 0.000 0.999 213 E CA -0.237 56.169 56.400 0.010 0.000 1.315 213 E CB -0.316 29.404 29.700 0.034 0.000 1.146 213 E HN 0.483 nan 8.360 nan 0.000 0.453 214 T N -0.165 114.332 114.554 -0.095 0.000 6.010 214 T HA -0.045 4.305 4.350 0.000 0.000 0.313 214 T C 0.643 175.279 174.700 -0.107 0.000 0.823 214 T CA 0.605 62.608 62.100 -0.162 0.000 1.393 214 T CB -0.295 68.414 68.868 -0.265 0.000 1.064 214 T HN 0.519 nan 8.240 nan 0.000 0.265 215 E N 0.597 120.729 120.200 -0.114 0.000 2.343 215 E HA 0.534 4.884 4.350 0.000 0.000 0.270 215 E C -0.635 175.918 176.600 -0.078 0.000 0.895 215 E CA -1.110 55.234 56.400 -0.094 0.000 0.767 215 E CB 1.947 31.577 29.700 -0.116 0.000 1.248 215 E HN 0.559 nan 8.360 nan 0.000 0.440 216 I N -0.138 120.391 120.570 -0.070 0.000 3.064 216 I HA 0.299 4.469 4.170 0.000 0.000 0.323 216 I C -0.284 175.788 176.117 -0.075 0.000 1.501 216 I CA -0.575 60.696 61.300 -0.048 0.000 0.890 216 I CB -0.817 37.183 38.000 0.000 0.000 1.602 216 I HN 0.474 nan 8.210 nan 0.000 0.586 217 N N 2.142 120.737 118.700 -0.175 0.000 2.322 217 N HA -0.153 4.587 4.740 0.000 0.000 0.189 217 N C -0.164 175.170 175.510 -0.293 0.000 1.012 217 N CA 1.653 54.525 53.050 -0.296 0.000 0.880 217 N CB -0.359 37.833 38.487 -0.492 0.000 0.967 217 N HN 0.699 nan 8.380 nan 0.000 0.439 218 H N -1.638 117.423 119.070 -0.016 0.000 2.808 218 H HA 0.617 5.173 4.556 0.000 0.000 0.268 218 H C -0.827 174.494 175.328 -0.012 0.000 1.306 218 H CA -0.638 55.400 56.048 -0.018 0.000 1.565 218 H CB 0.983 30.727 29.762 -0.031 0.000 1.632 218 H HN 0.071 nan 8.280 nan 0.000 0.525 219 A N 1.843 124.731 122.820 0.113 0.000 2.504 219 A HA 1.021 5.341 4.320 0.000 0.000 0.285 219 A C -1.152 176.489 177.584 0.095 0.000 1.261 219 A CA -0.227 51.873 52.037 0.105 0.000 0.741 219 A CB 1.612 20.673 19.000 0.101 0.000 1.327 219 A HN 0.719 nan 8.150 nan 0.000 0.441 220 A N -2.456 120.437 122.820 0.121 0.000 2.452 220 A HA 0.824 5.144 4.320 0.000 0.000 0.294 220 A C -0.130 177.489 177.584 0.058 0.000 1.010 220 A CA 0.428 52.512 52.037 0.079 0.000 0.613 220 A CB 0.028 19.075 19.000 0.077 0.000 1.363 220 A HN 2.571 nan 8.150 nan 0.000 0.463 221 G N -0.653 108.161 108.800 0.023 0.000 2.899 221 G HA2 0.806 4.766 3.960 0.000 0.000 0.137 221 G HA3 0.806 4.766 3.960 0.000 0.000 0.137 221 G C -0.679 174.220 174.900 -0.002 0.000 1.198 221 G CA 0.529 45.615 45.100 -0.024 0.000 1.126 221 G HN 1.786 nan 8.290 nan 0.000 0.589 222 R N -1.776 118.717 120.500 -0.013 0.000 2.739 222 R HA 0.619 4.959 4.340 0.000 0.000 0.266 222 R C -2.103 174.201 176.300 0.008 0.000 1.044 222 R CA -0.458 55.653 56.100 0.018 0.000 0.885 222 R CB 1.295 31.578 30.300 -0.028 0.000 1.260 222 R HN 1.081 nan 8.270 nan 0.000 0.477 223 V N 1.836 121.768 119.914 0.030 0.000 5.838 223 V HA 0.683 4.803 4.120 0.000 0.000 0.296 223 V C -1.401 174.715 176.094 0.037 0.000 1.592 223 V CA -0.347 61.968 62.300 0.026 0.000 0.723 223 V CB 1.770 33.603 31.823 0.018 0.000 1.408 223 V HN 0.720 nan 8.190 nan 0.000 0.418 224 L N 0.010 121.256 121.223 0.037 0.000 2.230 224 L HA 0.649 4.989 4.340 0.000 0.000 0.255 224 L C -0.022 176.870 176.870 0.038 0.000 1.039 224 L CA -0.033 54.832 54.840 0.042 0.000 0.846 224 L CB 1.870 43.958 42.059 0.048 0.000 1.419 224 L HN 0.633 nan 8.230 nan 0.000 0.435 225 K N -0.490 119.934 120.400 0.040 0.000 2.989 225 K HA 0.466 4.786 4.320 0.000 0.000 0.260 225 K C -0.412 176.214 176.600 0.043 0.000 0.982 225 K CA 0.315 56.623 56.287 0.035 0.000 1.553 225 K CB 0.462 32.982 32.500 0.033 0.000 3.152 225 K HN 0.632 nan 8.250 nan 0.000 0.970 226 K N -1.340 119.086 120.400 0.044 0.000 2.614 226 K HA 0.182 4.502 4.320 0.000 0.000 0.198 226 K C 0.586 177.216 176.600 0.049 0.000 1.338 226 K CA 0.048 56.368 56.287 0.055 0.000 1.066 226 K CB 0.563 33.101 32.500 0.063 0.000 1.119 226 K HN 0.184 nan 8.250 nan 0.000 0.609 227 T N 1.979 116.556 114.554 0.040 0.000 2.580 227 T HA -0.148 4.202 4.350 0.000 0.000 0.265 227 T C 0.975 175.698 174.700 0.038 0.000 1.063 227 T CA 2.190 64.311 62.100 0.034 0.000 1.170 227 T CB -0.439 68.446 68.868 0.028 0.000 0.863 227 T HN 0.642 nan 8.240 nan 0.000 0.418 228 T N 0.849 115.427 114.554 0.039 0.000 2.832 228 T HA 0.401 4.751 4.350 0.000 0.000 0.296 228 T C -2.618 172.113 174.700 0.051 0.000 0.968 228 T CA -1.955 60.170 62.100 0.042 0.000 1.107 228 T CB 0.817 69.709 68.868 0.040 0.000 0.916 228 T HN -0.040 nan 8.240 nan 0.000 0.517 229 P HA -0.133 nan 4.420 nan 0.000 0.277 229 P C 0.152 177.492 177.300 0.067 0.000 1.237 229 P CA 0.429 63.562 63.100 0.055 0.000 0.819 229 P CB 0.230 31.958 31.700 0.047 0.000 0.841 230 M N -0.059 119.584 119.600 0.072 0.000 3.512 230 M HA 0.189 4.669 4.480 0.000 0.000 0.231 230 M C 0.111 176.455 176.300 0.074 0.000 1.345 230 M CA 0.015 55.367 55.300 0.086 0.000 1.504 230 M CB -0.497 32.167 32.600 0.107 0.000 1.074 230 M HN 0.087 nan 8.290 nan 0.000 0.615 231 K N 1.439 121.884 120.400 0.074 0.000 2.156 231 K HA 0.488 4.808 4.320 0.000 0.000 0.271 231 K C -2.072 174.579 176.600 0.085 0.000 0.995 231 K CA -1.253 55.079 56.287 0.074 0.000 0.890 231 K CB 0.734 33.280 32.500 0.077 0.000 1.073 231 K HN 0.069 nan 8.250 nan 0.000 0.454 232 P HA -0.213 nan 4.420 nan 0.000 0.276 232 P C 0.180 177.554 177.300 0.123 0.000 1.337 232 P CA 0.024 63.183 63.100 0.098 0.000 0.958 232 P CB 0.374 32.132 31.700 0.096 0.000 1.078 233 C N -1.027 118.360 119.300 0.145 0.000 2.742 233 C HA 0.344 4.804 4.460 0.000 0.000 0.283 233 C C -0.222 174.894 174.990 0.210 0.000 1.451 233 C CA -0.380 58.730 59.018 0.153 0.000 1.785 233 C CB -2.121 25.692 27.740 0.123 0.000 2.664 233 C HN 0.313 nan 8.230 nan 0.000 0.544 234 Y N 1.476 121.818 120.300 0.070 0.000 2.804 234 Y HA 0.508 5.058 4.550 0.000 0.000 0.330 234 Y C 0.876 176.829 175.900 0.089 0.000 1.092 234 Y CA 0.628 58.768 58.100 0.068 0.000 1.315 234 Y CB 0.149 38.638 38.460 0.049 0.000 1.188 234 Y HN 0.569 nan 8.280 nan 0.000 0.512 235 G N 2.719 111.519 108.800 -0.002 0.000 2.756 235 G HA2 -0.172 3.788 3.960 0.000 0.000 0.272 235 G HA3 -0.172 3.788 3.960 0.000 0.000 0.272 235 G C -0.418 174.592 174.900 0.184 0.000 1.128 235 G CA 0.165 45.306 45.100 0.070 0.000 1.145 235 G HN 0.655 nan 8.290 nan 0.000 0.545 236 S N -0.067 115.754 115.700 0.203 0.000 2.532 236 S HA 0.914 5.384 4.470 0.000 0.000 0.301 236 S C -0.892 173.837 174.600 0.216 0.000 1.083 236 S CA -0.617 57.699 58.200 0.192 0.000 1.025 236 S CB 1.762 65.048 63.200 0.143 0.000 1.056 236 S HN 1.063 nan 8.310 nan 0.000 0.494 237 Y N 0.468 120.791 120.300 0.038 0.000 2.702 237 Y HA 0.662 5.212 4.550 0.000 0.000 0.336 237 Y C -0.482 175.410 175.900 -0.014 0.000 1.203 237 Y CA -0.520 57.556 58.100 -0.040 0.000 1.072 237 Y CB 1.086 39.506 38.460 -0.066 0.000 1.327 237 Y HN 0.822 nan 8.280 nan 0.000 0.456 238 A N 2.067 124.810 122.820 -0.128 0.000 4.504 238 A HA 0.764 5.085 4.320 0.000 0.000 0.202 238 A C -1.715 175.497 177.584 -0.621 0.000 0.770 238 A CA -0.785 51.094 52.037 -0.264 0.000 0.714 238 A CB 1.182 20.142 19.000 -0.066 0.000 1.741 238 A HN 0.352 nan 8.150 nan 0.000 0.888 239 K N 1.033 121.237 120.400 -0.326 0.000 2.450 239 K HA 0.443 4.763 4.320 0.000 0.000 0.257 239 K C -2.892 173.626 176.600 -0.137 0.000 0.953 239 K CA -1.703 54.404 56.287 -0.300 0.000 0.844 239 K CB 1.857 34.244 32.500 -0.189 0.000 1.103 239 K HN 0.158 nan 8.250 nan 0.000 0.429 240 P HA -0.056 nan 4.420 nan 0.000 0.259 240 P C 0.552 177.825 177.300 -0.044 0.000 1.635 240 P CA 0.202 63.297 63.100 -0.008 0.000 1.199 240 P CB -0.144 31.588 31.700 0.052 0.000 1.850 241 T N 0.849 115.374 114.554 -0.048 0.000 6.226 241 T HA -0.110 4.240 4.350 0.000 0.000 0.387 241 T C 0.828 175.474 174.700 -0.090 0.000 0.840 241 T CA -0.187 61.878 62.100 -0.057 0.000 0.988 241 T CB -1.180 67.665 68.868 -0.037 0.000 0.954 241 T HN 0.364 nan 8.240 nan 0.000 0.284 242 N N 2.447 121.086 118.700 -0.101 0.000 1.963 242 N HA -0.198 4.542 4.740 0.000 0.000 0.294 242 N C 0.682 176.083 175.510 -0.182 0.000 1.202 242 N CA 0.904 53.872 53.050 -0.136 0.000 0.830 242 N CB 0.046 38.442 38.487 -0.152 0.000 1.044 242 N HN 0.981 nan 8.380 nan 0.000 0.483 243 E N -0.321 119.791 120.200 -0.147 0.000 2.510 243 E HA -0.216 4.134 4.350 0.000 0.000 0.202 243 E C -0.045 176.432 176.600 -0.204 0.000 1.072 243 E CA 0.917 57.234 56.400 -0.137 0.000 0.883 243 E CB -0.449 29.197 29.700 -0.090 0.000 0.818 243 E HN 0.620 nan 8.360 nan 0.000 0.548 244 N N 0.111 118.595 118.700 -0.360 0.000 2.251 244 N HA 0.121 4.861 4.740 0.000 0.000 0.217 244 N C 0.682 175.682 175.510 -0.851 0.000 1.124 244 N CA 0.243 52.950 53.050 -0.572 0.000 0.843 244 N CB 1.186 39.233 38.487 -0.735 0.000 1.024 244 N HN 0.403 nan 8.380 nan 0.000 0.501 245 G N 1.093 109.599 108.800 -0.490 0.000 4.391 245 G HA2 -0.323 3.637 3.960 0.000 0.000 0.210 245 G HA3 -0.323 3.637 3.960 0.000 0.000 0.210 245 G C 0.653 175.449 174.900 -0.175 0.000 1.547 245 G CA -0.048 44.882 45.100 -0.282 0.000 1.103 245 G HN 0.562 nan 8.290 nan 0.000 0.637 246 G N -0.000 108.699 108.800 -0.169 0.000 2.401 246 G HA2 0.047 4.007 3.960 0.000 0.000 0.999 246 G HA3 0.047 4.007 3.960 0.000 0.000 0.999 246 G C 0.426 175.387 174.900 0.102 0.000 1.418 246 G CA 1.805 47.020 45.100 0.192 0.000 0.862 246 G HN 1.712 nan 8.290 nan 0.000 0.496 247 Q N -1.333 118.516 119.800 0.082 0.000 2.169 247 Q HA 0.305 4.645 4.340 0.000 0.000 0.217 247 Q C 0.489 176.501 176.000 0.020 0.000 0.712 247 Q CA 0.201 56.029 55.803 0.041 0.000 1.001 247 Q CB -0.065 28.715 28.738 0.070 0.000 1.361 247 Q HN 0.970 nan 8.270 nan 0.000 0.358 248 G N 0.344 109.155 108.800 0.019 0.000 2.557 248 G HA2 0.650 4.610 3.960 0.000 0.000 0.292 248 G HA3 0.650 4.610 3.960 0.000 0.000 0.292 248 G C -0.788 174.113 174.900 0.002 0.000 1.237 248 G CA -0.334 44.776 45.100 0.016 0.000 0.978 248 G HN 0.229 nan 8.290 nan 0.000 0.498 249 I N 0.486 121.062 120.570 0.011 0.000 2.418 249 I HA 0.473 4.643 4.170 0.000 0.000 0.287 249 I C -1.298 174.826 176.117 0.011 0.000 1.008 249 I CA -0.774 60.529 61.300 0.006 0.000 1.104 249 I CB 1.560 39.565 38.000 0.008 0.000 1.264 249 I HN 0.264 nan 8.210 nan 0.000 0.438 250 L N 9.508 130.734 121.223 0.006 0.000 2.588 250 L HA 0.215 4.555 4.340 0.000 0.000 0.256 250 L C -0.563 176.309 176.870 0.002 0.000 1.083 250 L CA -0.142 54.703 54.840 0.008 0.000 0.909 250 L CB 1.498 43.563 42.059 0.010 0.000 1.121 250 L HN 0.527 nan 8.230 nan 0.000 0.470 251 V N 0.805 120.720 119.914 0.002 0.000 3.380 251 V HA 0.366 4.486 4.120 0.000 0.000 0.307 251 V C 0.559 176.654 176.094 0.002 0.000 1.434 251 V CA -0.198 62.102 62.300 0.000 0.000 1.075 251 V CB 0.511 32.333 31.823 -0.002 0.000 0.954 251 V HN 0.597 nan 8.190 nan 0.000 0.444 252 K N 2.327 122.729 120.400 0.004 0.000 2.248 252 K HA 0.395 4.715 4.320 0.000 0.000 0.281 252 K C 1.009 177.612 176.600 0.004 0.000 1.054 252 K CA -0.168 56.122 56.287 0.005 0.000 0.903 252 K CB 1.222 33.725 32.500 0.007 0.000 1.077 252 K HN 0.685 nan 8.250 nan 0.000 0.474 253 Q N 2.575 122.377 119.800 0.003 0.000 1.433 253 Q HA 0.086 4.426 4.340 0.000 0.000 0.807 253 Q C -0.242 175.761 176.000 0.004 0.000 0.911 253 Q CA -0.442 55.363 55.803 0.003 0.000 0.819 253 Q CB -0.321 28.419 28.738 0.002 0.000 2.362 253 Q HN 0.567 nan 8.270 nan 0.000 0.212 254 Q N -0.272 119.530 119.800 0.003 0.000 0.510 254 Q HA -0.235 4.105 4.340 0.000 0.000 0.336 254 Q C 0.493 176.496 176.000 0.004 0.000 1.081 254 Q CA 1.173 56.978 55.803 0.003 0.000 0.304 254 Q CB -1.205 27.535 28.738 0.004 0.000 5.529 254 Q HN 0.719 nan 8.270 nan 0.000 0.334 255 N N -0.559 118.143 118.700 0.003 0.000 2.002 255 N HA -0.167 4.573 4.740 0.000 0.000 0.199 255 N C 1.300 176.813 175.510 0.004 0.000 1.060 255 N CA 1.897 54.949 53.050 0.004 0.000 0.867 255 N CB -0.754 37.735 38.487 0.003 0.000 1.069 255 N HN 0.680 nan 8.380 nan 0.000 0.430 256 G N 0.416 109.219 108.800 0.005 0.000 2.652 256 G HA2 -0.256 3.704 3.960 0.000 0.000 0.189 256 G HA3 -0.256 3.704 3.960 0.000 0.000 0.189 256 G C -0.074 174.830 174.900 0.006 0.000 1.331 256 G CA 1.025 46.129 45.100 0.006 0.000 0.875 256 G HN 0.626 nan 8.290 nan 0.000 0.672 257 K N -2.641 117.763 120.400 0.007 0.000 5.169 257 K HA -0.188 4.132 4.320 0.000 0.000 0.628 257 K C 0.826 177.431 176.600 0.008 0.000 2.572 257 K CA 0.254 56.545 56.287 0.007 0.000 1.957 257 K CB -0.828 31.675 32.500 0.005 0.000 2.585 257 K HN 0.915 nan 8.250 nan 0.000 0.224 258 L N -1.812 119.415 121.223 0.008 0.000 3.570 258 L HA -0.289 4.051 4.340 0.000 0.000 0.382 258 L C 1.022 177.901 176.870 0.014 0.000 0.698 258 L CA 1.920 56.765 54.840 0.008 0.000 2.990 258 L CB -1.207 40.856 42.059 0.007 0.000 0.731 258 L HN 0.832 nan 8.230 nan 0.000 0.725 259 E N 1.865 122.075 120.200 0.017 0.000 2.351 259 E HA 0.227 4.577 4.350 0.000 0.000 0.236 259 E C 0.484 177.103 176.600 0.031 0.000 1.341 259 E CA 0.672 57.087 56.400 0.024 0.000 1.579 259 E CB 0.174 29.887 29.700 0.021 0.000 1.393 259 E HN 0.465 nan 8.360 nan 0.000 0.438 260 S N 0.592 116.309 115.700 0.030 0.000 2.924 260 S HA -0.286 4.184 4.470 0.000 0.000 0.634 260 S C 0.034 174.656 174.600 0.037 0.000 3.063 260 S CA 1.018 59.239 58.200 0.036 0.000 3.276 260 S CB -0.248 62.983 63.200 0.051 0.000 0.332 260 S HN 0.602 nan 8.310 nan 0.000 1.789 261 Q N 0.074 119.900 119.800 0.043 0.000 3.090 261 Q HA 0.616 4.956 4.340 0.000 0.000 0.241 261 Q C -1.377 174.655 176.000 0.053 0.000 0.958 261 Q CA -0.396 55.431 55.803 0.039 0.000 0.715 261 Q CB 1.123 29.878 28.738 0.028 0.000 1.298 261 Q HN 0.385 nan 8.270 nan 0.000 0.468 262 V N -0.384 119.569 119.914 0.066 0.000 3.120 262 V HA 0.494 4.614 4.120 0.000 0.000 0.303 262 V C -0.389 175.714 176.094 0.015 0.000 1.238 262 V CA -0.807 61.541 62.300 0.080 0.000 1.008 262 V CB 2.747 34.694 31.823 0.207 0.000 1.064 262 V HN 0.510 nan 8.190 nan 0.000 0.434 263 E N 0.924 121.082 120.200 -0.070 0.000 2.475 263 E HA 0.780 5.130 4.350 0.000 0.000 0.221 263 E C -1.690 174.699 176.600 -0.352 0.000 0.793 263 E CA -0.906 55.395 56.400 -0.166 0.000 0.922 263 E CB 2.350 31.999 29.700 -0.085 0.000 1.778 263 E HN 0.651 nan 8.360 nan 0.000 0.392 264 M N 0.440 119.882 119.600 -0.264 0.000 2.484 264 M HA 0.348 4.828 4.480 0.000 0.000 0.289 264 M C -0.300 175.948 176.300 -0.087 0.000 1.206 264 M CA -0.489 54.648 55.300 -0.272 0.000 0.892 264 M CB 2.720 35.127 32.600 -0.323 0.000 1.712 264 M HN 0.196 nan 8.290 nan 0.000 0.462 265 Q N 0.457 120.230 119.800 -0.045 0.000 3.321 265 Q HA 0.706 5.046 4.340 0.000 0.000 0.257 265 Q C -1.423 174.680 176.000 0.171 0.000 1.041 265 Q CA -0.671 55.182 55.803 0.084 0.000 0.789 265 Q CB 1.981 30.760 28.738 0.068 0.000 2.366 265 Q HN 0.603 nan 8.270 nan 0.000 0.416 266 F N -0.795 119.180 119.950 0.042 0.000 2.692 266 F HA 0.498 5.025 4.527 0.000 0.000 0.320 266 F C -1.092 174.832 175.800 0.206 0.000 1.123 266 F CA -0.568 57.481 58.000 0.082 0.000 0.961 266 F CB 1.822 40.847 39.000 0.042 0.000 1.383 266 F HN 0.439 nan 8.300 nan 0.000 0.483 267 F N 1.204 121.273 119.950 0.200 0.000 2.860 267 F HA 0.212 4.739 4.527 0.000 0.000 0.435 267 F C -0.557 175.302 175.800 0.099 0.000 1.174 267 F CA -0.233 57.831 58.000 0.107 0.000 1.126 267 F CB -0.418 38.602 39.000 0.034 0.000 2.569 267 F HN 0.281 nan 8.300 nan 0.000 0.495 268 S N -0.425 115.341 115.700 0.109 0.000 2.393 268 S HA 0.692 5.162 4.470 0.000 0.000 0.255 268 S C 0.639 175.183 174.600 -0.092 0.000 1.210 268 S CA 0.152 58.388 58.200 0.060 0.000 1.013 268 S CB 0.929 64.216 63.200 0.146 0.000 1.055 268 S HN 0.400 nan 8.310 nan 0.000 0.483 269 T N 0.696 115.222 114.554 -0.047 0.000 2.352 269 T HA 0.444 4.794 4.350 0.000 0.000 0.186 269 T C -0.320 174.349 174.700 -0.052 0.000 0.706 269 T CA -0.460 61.596 62.100 -0.074 0.000 1.355 269 T CB -0.142 68.700 68.868 -0.043 0.000 2.156 269 T HN 0.663 nan 8.240 nan 0.000 0.441 280 L N -0.128 121.100 121.223 0.007 0.000 2.286 280 L HA -0.191 4.149 4.340 0.000 0.000 0.465 280 L C 0.186 177.075 176.870 0.032 0.000 0.705 280 L CA 2.229 57.075 54.840 0.011 0.000 3.281 280 L CB -1.804 40.258 42.059 0.006 0.000 0.595 280 L HN 0.373 nan 8.230 nan 0.000 0.785 281 T N 0.468 115.046 114.554 0.040 0.000 2.834 281 T HA 0.521 4.871 4.350 0.000 0.000 0.298 281 T C -1.691 173.063 174.700 0.089 0.000 0.966 281 T CA -1.031 61.105 62.100 0.059 0.000 1.141 281 T CB 0.491 69.388 68.868 0.050 0.000 0.905 281 T HN 0.318 nan 8.240 nan 0.000 0.535 282 P HA 0.052 nan 4.420 nan 0.000 0.275 282 P C -0.218 177.149 177.300 0.111 0.000 1.227 282 P CA 0.018 63.230 63.100 0.185 0.000 0.808 282 P CB 0.216 32.020 31.700 0.172 0.000 0.858 283 K N -1.199 119.230 120.400 0.048 0.000 3.087 283 K HA 0.442 4.762 4.320 0.000 0.000 0.164 283 K C -1.777 174.801 176.600 -0.037 0.000 1.484 283 K CA -0.037 56.263 56.287 0.021 0.000 0.668 283 K CB -0.180 32.376 32.500 0.093 0.000 1.172 283 K HN 0.247 nan 8.250 nan 0.000 0.410 284 V N 0.093 119.866 119.914 -0.234 0.000 2.885 284 V HA 0.419 4.539 4.120 0.000 0.000 0.254 284 V C -1.953 173.940 176.094 -0.334 0.000 1.772 284 V CA -0.770 61.404 62.300 -0.211 0.000 0.915 284 V CB 2.100 33.897 31.823 -0.045 0.000 1.342 284 V HN -0.047 nan 8.190 nan 0.000 0.459 285 V N 6.652 126.465 119.914 -0.168 0.000 2.735 285 V HA 0.648 4.768 4.120 0.000 0.000 0.276 285 V C -1.733 174.333 176.094 -0.046 0.000 1.083 285 V CA 0.020 62.235 62.300 -0.141 0.000 0.923 285 V CB 1.385 33.134 31.823 -0.123 0.000 1.053 285 V HN 0.769 nan 8.190 nan 0.000 0.471 286 L N 5.686 126.871 121.223 -0.063 0.000 2.354 286 L HA 0.740 5.080 4.340 0.000 0.000 0.264 286 L C -0.763 176.096 176.870 -0.019 0.000 1.008 286 L CA -0.421 54.434 54.840 0.026 0.000 0.819 286 L CB 2.536 44.596 42.059 0.001 0.000 1.339 286 L HN 0.668 nan 8.230 nan 0.000 0.420 287 Y N 0.513 120.796 120.300 -0.028 0.000 3.045 287 Y HA 0.710 5.260 4.550 0.000 0.000 0.391 287 Y C 0.390 176.282 175.900 -0.013 0.000 1.234 287 Y CA 0.200 58.290 58.100 -0.017 0.000 1.281 287 Y CB 0.582 39.031 38.460 -0.018 0.000 1.401 287 Y HN 0.641 nan 8.280 nan 0.000 0.837 288 S N -1.387 114.443 115.700 0.217 0.000 2.779 288 S HA 0.172 4.642 4.470 0.000 0.000 0.257 288 S C -1.269 173.385 174.600 0.090 0.000 0.634 288 S CA -0.873 57.391 58.200 0.107 0.000 1.183 288 S CB -0.476 62.764 63.200 0.066 0.000 1.457 288 S HN 0.671 nan 8.310 nan 0.000 0.535 289 E N 1.442 121.680 120.200 0.063 0.000 2.109 289 E HA 0.772 5.122 4.350 0.000 0.000 0.168 289 E C -1.137 175.486 176.600 0.039 0.000 1.133 289 E CA -0.947 55.483 56.400 0.050 0.000 0.857 289 E CB 0.342 30.071 29.700 0.049 0.000 2.101 289 E HN 0.561 nan 8.360 nan 0.000 0.480 290 D N -1.188 119.231 120.400 0.031 0.000 3.557 290 D HA 0.625 5.265 4.640 0.000 0.000 0.331 290 D C -1.047 175.263 176.300 0.016 0.000 1.442 290 D CA 0.148 54.164 54.000 0.026 0.000 0.971 290 D CB 1.727 42.542 40.800 0.026 0.000 1.423 290 D HN 0.461 nan 8.370 nan 0.000 0.604 291 V N -2.444 117.477 119.914 0.011 0.000 3.087 291 V HA 0.223 4.343 4.120 0.000 0.000 0.274 291 V C -1.701 174.392 176.094 -0.002 0.000 1.956 291 V CA -1.179 61.119 62.300 -0.003 0.000 0.933 291 V CB 1.140 32.951 31.823 -0.020 0.000 1.301 291 V HN 0.535 nan 8.190 nan 0.000 0.438 292 D N 1.440 121.832 120.400 -0.013 0.000 2.380 292 D HA 0.371 5.011 4.640 0.000 0.000 0.230 292 D C -0.125 176.168 176.300 -0.011 0.000 1.154 292 D CA -0.227 53.768 54.000 -0.008 0.000 0.859 292 D CB 1.002 41.794 40.800 -0.012 0.000 1.045 292 D HN 0.567 nan 8.370 nan 0.000 0.495 293 I N 2.574 123.149 120.570 0.008 0.000 2.993 293 I HA -0.048 4.122 4.170 0.000 0.000 0.286 293 I C -0.025 176.111 176.117 0.032 0.000 1.215 293 I CA 0.801 62.115 61.300 0.023 0.000 1.393 293 I CB 0.581 38.605 38.000 0.040 0.000 1.371 293 I HN 0.491 nan 8.210 nan 0.000 0.602 294 E N 2.629 122.863 120.200 0.057 0.000 2.522 294 E HA 0.231 4.581 4.350 0.000 0.000 0.315 294 E C -1.225 175.461 176.600 0.142 0.000 0.917 294 E CA -0.413 56.039 56.400 0.086 0.000 0.796 294 E CB 1.408 31.151 29.700 0.070 0.000 1.323 294 E HN 0.351 nan 8.360 nan 0.000 0.397 295 T N 3.719 118.356 114.554 0.138 0.000 2.893 295 T HA 0.296 4.646 4.350 0.000 0.000 0.324 295 T C -1.751 173.042 174.700 0.155 0.000 1.082 295 T CA -1.368 60.828 62.100 0.160 0.000 0.983 295 T CB 0.935 69.888 68.868 0.142 0.000 1.005 295 T HN 0.288 nan 8.240 nan 0.000 0.475 296 P HA 0.065 nan 4.420 nan 0.000 0.215 296 P C 0.318 177.688 177.300 0.116 0.000 1.157 296 P CA 0.714 63.902 63.100 0.147 0.000 0.869 296 P CB 0.236 32.043 31.700 0.178 0.000 0.781 297 D N 1.356 121.810 120.400 0.089 0.000 2.896 297 D HA 0.139 4.779 4.640 0.000 0.000 0.240 297 D C -0.172 176.207 176.300 0.131 0.000 1.193 297 D CA 0.121 54.158 54.000 0.063 0.000 0.983 297 D CB -0.242 40.530 40.800 -0.046 0.000 1.074 297 D HN 0.226 nan 8.370 nan 0.000 0.496 298 T N -2.085 112.581 114.554 0.186 0.000 2.669 298 T HA 0.264 4.614 4.350 0.000 0.000 0.283 298 T C -1.025 173.867 174.700 0.321 0.000 1.967 298 T CA -1.129 61.125 62.100 0.258 0.000 0.941 298 T CB 1.864 70.885 68.868 0.255 0.000 2.124 298 T HN 0.633 nan 8.240 nan 0.000 0.439 299 H N -0.647 118.469 119.070 0.077 0.000 2.949 299 H HA 0.285 4.841 4.556 0.000 0.000 0.284 299 H C -1.709 173.641 175.328 0.036 0.000 1.178 299 H CA -0.971 55.102 56.048 0.041 0.000 1.688 299 H CB -0.545 29.222 29.762 0.007 0.000 2.133 299 H HN 0.690 nan 8.280 nan 0.000 0.480 300 I N 2.529 123.095 120.570 -0.006 0.000 3.017 300 I HA -0.172 3.998 4.170 0.000 0.000 0.310 300 I C 1.717 177.762 176.117 -0.119 0.000 1.220 300 I CA 1.448 62.715 61.300 -0.055 0.000 1.450 300 I CB 0.727 38.722 38.000 -0.008 0.000 1.317 300 I HN 0.801 nan 8.210 nan 0.000 0.570 301 S N 5.369 121.026 115.700 -0.071 0.000 2.444 301 S HA 0.059 4.529 4.470 0.000 0.000 0.223 301 S C -0.055 174.601 174.600 0.092 0.000 1.054 301 S CA 0.288 58.477 58.200 -0.019 0.000 0.947 301 S CB 0.023 63.214 63.200 -0.014 0.000 0.850 301 S HN 0.513 nan 8.310 nan 0.000 0.527 302 Y N 1.490 121.752 120.300 -0.064 0.000 2.322 302 Y HA 0.564 5.114 4.550 0.000 0.000 0.324 302 Y C -0.847 175.018 175.900 -0.059 0.000 1.027 302 Y CA -0.841 57.218 58.100 -0.069 0.000 1.179 302 Y CB 1.385 39.808 38.460 -0.061 0.000 1.136 302 Y HN 0.195 nan 8.280 nan 0.000 0.449 303 M N 9.103 128.451 119.600 -0.419 0.000 2.063 303 M HA 0.367 4.847 4.480 0.000 0.000 0.348 303 M C -2.311 173.757 176.300 -0.387 0.000 1.180 303 M CA -1.677 53.439 55.300 -0.306 0.000 1.059 303 M CB 1.349 33.829 32.600 -0.199 0.000 1.544 303 M HN 0.421 nan 8.290 nan 0.000 0.447 304 P HA 0.222 nan 4.420 nan 0.000 0.231 304 P C -1.342 175.889 177.300 -0.115 0.000 1.833 304 P CA -0.009 62.985 63.100 -0.176 0.000 1.023 304 P CB -0.400 31.252 31.700 -0.080 0.000 1.643 305 T N -2.496 111.988 114.554 -0.117 0.000 3.579 305 T HA 0.350 4.700 4.350 0.000 0.000 0.360 305 T C -0.241 174.419 174.700 -0.068 0.000 1.285 305 T CA -0.370 61.685 62.100 -0.076 0.000 1.127 305 T CB 0.421 69.257 68.868 -0.053 0.000 1.244 305 T HN -0.063 nan 8.240 nan 0.000 0.476 306 I N 2.248 122.785 120.570 -0.054 0.000 3.805 306 I HA 0.178 4.348 4.170 0.000 0.000 0.337 306 I C 0.752 176.854 176.117 -0.025 0.000 1.539 306 I CA -0.487 60.787 61.300 -0.042 0.000 1.176 306 I CB -0.041 37.934 38.000 -0.042 0.000 1.248 306 I HN 0.503 nan 8.210 nan 0.000 0.437 307 K N 1.019 121.406 120.400 -0.021 0.000 2.090 307 K HA 0.209 4.529 4.320 0.000 0.000 0.250 307 K C 0.083 176.682 176.600 -0.001 0.000 1.004 307 K CA -0.023 56.259 56.287 -0.008 0.000 0.919 307 K CB 1.096 33.594 32.500 -0.004 0.000 1.045 307 K HN 0.114 nan 8.250 nan 0.000 0.471 308 E N 0.111 120.314 120.200 0.006 0.000 2.419 308 E HA 0.171 4.521 4.350 0.000 0.000 0.190 308 E C 0.133 176.744 176.600 0.018 0.000 1.040 308 E CA -0.040 56.367 56.400 0.011 0.000 0.900 308 E CB 0.351 30.058 29.700 0.011 0.000 1.054 308 E HN 0.861 nan 8.360 nan 0.000 0.462 309 G N 0.372 109.184 108.800 0.021 0.000 2.586 309 G HA2 -0.045 3.915 3.960 0.000 0.000 0.105 309 G HA3 -0.045 3.915 3.960 0.000 0.000 0.105 309 G C -0.879 174.046 174.900 0.041 0.000 1.129 309 G CA -0.894 44.225 45.100 0.032 0.000 1.127 309 G HN 0.065 nan 8.290 nan 0.000 0.532 310 N N 1.137 119.870 118.700 0.055 0.000 2.353 310 N HA 0.340 5.080 4.740 0.000 0.000 0.248 310 N C -0.737 174.820 175.510 0.077 0.000 1.240 310 N CA 1.338 54.436 53.050 0.080 0.000 0.862 310 N CB 0.341 38.884 38.487 0.094 0.000 1.086 310 N HN 0.562 nan 8.380 nan 0.000 0.453 311 S N 1.344 117.101 115.700 0.094 0.000 2.535 311 S HA 0.283 4.753 4.470 0.000 0.000 0.272 311 S C 0.405 175.021 174.600 0.026 0.000 1.149 311 S CA -0.927 57.305 58.200 0.054 0.000 0.888 311 S CB 1.966 65.169 63.200 0.007 0.000 1.110 311 S HN 0.566 nan 8.310 nan 0.000 0.463 312 R N 1.223 121.684 120.500 -0.066 0.000 2.119 312 R HA 0.093 4.433 4.340 0.000 0.000 0.222 312 R C 1.488 177.495 176.300 -0.488 0.000 1.088 312 R CA 0.874 56.711 56.100 -0.439 0.000 0.984 312 R CB -0.054 29.956 30.300 -0.483 0.000 0.884 312 R HN 0.665 nan 8.270 nan 0.000 0.447 313 E N 1.027 121.079 120.200 -0.246 0.000 2.474 313 E HA 0.059 4.409 4.350 0.000 0.000 0.194 313 E C 0.491 177.010 176.600 -0.135 0.000 1.041 313 E CA -0.056 56.229 56.400 -0.192 0.000 0.874 313 E CB 0.268 29.894 29.700 -0.123 0.000 0.914 313 E HN 0.155 nan 8.360 nan 0.000 0.498 314 L N 1.178 122.336 121.223 -0.108 0.000 2.912 314 L HA 0.167 4.507 4.340 0.000 0.000 0.246 314 L C 0.778 177.609 176.870 -0.065 0.000 1.371 314 L CA 0.011 54.814 54.840 -0.062 0.000 1.196 314 L CB -0.162 41.881 42.059 -0.025 0.000 1.596 314 L HN 0.285 nan 8.230 nan 0.000 0.429 315 M N -0.779 118.760 119.600 -0.102 0.000 2.544 315 M HA 0.209 4.689 4.480 0.000 0.000 0.251 315 M C 1.421 177.680 176.300 -0.068 0.000 1.189 315 M CA 0.782 56.020 55.300 -0.105 0.000 1.218 315 M CB -0.216 32.273 32.600 -0.185 0.000 1.259 315 M HN 0.385 nan 8.290 nan 0.000 0.495 316 G N 2.798 111.561 108.800 -0.061 0.000 3.213 316 G HA2 0.217 4.177 3.960 0.000 0.000 0.263 316 G HA3 0.217 4.177 3.960 0.000 0.000 0.263 316 G C -0.077 174.829 174.900 0.010 0.000 0.829 316 G CA -0.206 44.875 45.100 -0.032 0.000 1.983 316 G HN 0.544 nan 8.290 nan 0.000 0.616 317 Q N -0.984 118.824 119.800 0.012 0.000 3.375 317 Q HA 0.596 4.936 4.340 0.000 0.000 0.295 317 Q C -0.529 175.482 176.000 0.019 0.000 0.996 317 Q CA -0.902 54.930 55.803 0.048 0.000 0.801 317 Q CB 0.984 29.748 28.738 0.043 0.000 2.066 317 Q HN 0.193 nan 8.270 nan 0.000 0.424 318 Q N -0.672 119.138 119.800 0.016 0.000 3.317 318 Q HA 0.499 4.839 4.340 0.000 0.000 0.322 318 Q C -0.824 175.151 176.000 -0.041 0.000 0.945 318 Q CA -0.861 54.928 55.803 -0.023 0.000 0.793 318 Q CB 1.691 30.412 28.738 -0.030 0.000 2.225 318 Q HN 0.597 nan 8.270 nan 0.000 0.392 319 S N 0.183 115.828 115.700 -0.090 0.000 2.754 319 S HA 0.171 4.641 4.470 0.000 0.000 0.145 319 S C -0.756 173.737 174.600 -0.179 0.000 0.915 319 S CA -0.176 57.969 58.200 -0.093 0.000 0.981 319 S CB 0.048 63.215 63.200 -0.056 0.000 1.697 319 S HN 0.471 nan 8.310 nan 0.000 0.543 320 M N 3.393 122.885 119.600 -0.180 0.000 2.219 320 M HA 0.313 4.793 4.480 0.000 0.000 0.307 320 M C -2.196 174.046 176.300 -0.098 0.000 1.116 320 M CA -0.384 54.799 55.300 -0.195 0.000 1.181 320 M CB 0.545 32.982 32.600 -0.271 0.000 1.410 320 M HN 0.273 nan 8.290 nan 0.000 0.454 321 P HA 0.394 nan 4.420 nan 0.000 0.338 321 P C -1.325 176.109 177.300 0.224 0.000 1.273 321 P CA -0.485 62.733 63.100 0.197 0.000 0.778 321 P CB 1.009 32.869 31.700 0.266 0.000 1.452 322 N N -1.047 117.766 118.700 0.189 0.000 2.592 322 N HA 0.401 5.141 4.740 0.000 0.000 0.292 322 N C -0.352 175.183 175.510 0.042 0.000 1.260 322 N CA -0.472 52.654 53.050 0.127 0.000 0.910 322 N CB 1.257 39.795 38.487 0.084 0.000 1.257 322 N HN 0.282 nan 8.380 nan 0.000 0.569 323 R N 0.385 120.885 120.500 -0.001 0.000 2.589 323 R HA 0.425 4.765 4.340 0.000 0.000 0.293 323 R C -2.293 173.999 176.300 -0.014 0.000 0.963 323 R CA -1.536 54.545 56.100 -0.032 0.000 0.905 323 R CB 0.668 30.928 30.300 -0.067 0.000 1.144 323 R HN 0.322 nan 8.270 nan 0.000 0.459 324 P HA -0.014 nan 4.420 nan 0.000 0.259 324 P C -1.110 176.219 177.300 0.048 0.000 1.635 324 P CA -0.186 62.940 63.100 0.044 0.000 1.199 324 P CB -0.164 31.670 31.700 0.225 0.000 1.850 325 N N 2.127 120.811 118.700 -0.026 0.000 2.421 325 N HA -0.092 4.648 4.740 0.000 0.000 0.260 325 N C -0.299 175.185 175.510 -0.043 0.000 1.173 325 N CA -0.376 52.657 53.050 -0.028 0.000 0.960 325 N CB -0.252 38.180 38.487 -0.092 0.000 1.273 325 N HN 0.109 nan 8.380 nan 0.000 0.497 326 Y N 4.384 124.605 120.300 -0.132 0.000 3.040 326 Y HA 0.084 4.634 4.550 0.000 0.000 0.356 326 Y C 0.152 175.968 175.900 -0.139 0.000 1.096 326 Y CA -0.854 57.160 58.100 -0.144 0.000 2.058 326 Y CB -0.743 37.661 38.460 -0.093 0.000 2.215 326 Y HN 0.527 nan 8.280 nan 0.000 0.404 327 I N 2.038 122.497 120.570 -0.185 0.000 2.452 327 I HA 0.322 4.492 4.170 0.000 0.000 0.287 327 I C 0.318 176.435 176.117 -0.001 0.000 1.079 327 I CA -0.196 61.037 61.300 -0.112 0.000 1.387 327 I CB 0.270 38.164 38.000 -0.177 0.000 1.404 327 I HN 0.371 nan 8.210 nan 0.000 0.522 328 A N 6.666 129.532 122.820 0.077 0.000 2.364 328 A HA 0.299 4.619 4.320 0.000 0.000 0.303 328 A C -0.424 177.271 177.584 0.186 0.000 1.078 328 A CA -0.623 51.481 52.037 0.112 0.000 0.970 328 A CB -0.046 18.949 19.000 -0.007 0.000 1.497 328 A HN 0.471 nan 8.150 nan 0.000 0.376 329 F N 2.831 122.820 119.950 0.066 0.000 2.207 329 F HA -0.173 4.354 4.527 0.000 0.000 0.341 329 F C 1.399 177.231 175.800 0.054 0.000 0.812 329 F CA 1.064 59.109 58.000 0.075 0.000 1.052 329 F CB 0.490 39.549 39.000 0.099 0.000 0.841 329 F HN 0.673 nan 8.300 nan 0.000 0.591 330 R N 3.654 123.992 120.500 -0.269 0.000 2.504 330 R HA -0.135 4.205 4.340 0.000 0.000 0.302 330 R C 0.105 176.344 176.300 -0.101 0.000 0.893 330 R CA 0.174 56.149 56.100 -0.208 0.000 1.138 330 R CB -0.632 29.472 30.300 -0.327 0.000 0.880 330 R HN 0.559 nan 8.270 nan 0.000 0.415 331 D N 3.418 123.799 120.400 -0.032 0.000 3.264 331 D HA -0.218 4.422 4.640 0.000 0.000 0.213 331 D C 0.136 176.454 176.300 0.031 0.000 1.112 331 D CA 0.949 54.950 54.000 0.002 0.000 0.777 331 D CB 0.175 40.974 40.800 -0.002 0.000 1.156 331 D HN 0.532 nan 8.370 nan 0.000 0.556 332 N N 3.193 121.938 118.700 0.075 0.000 2.920 332 N HA -0.215 4.525 4.740 0.000 0.000 0.247 332 N C -0.613 175.035 175.510 0.231 0.000 1.123 332 N CA 0.253 53.409 53.050 0.177 0.000 0.711 332 N CB -1.601 37.004 38.487 0.198 0.000 1.065 332 N HN 0.432 nan 8.380 nan 0.000 0.554 333 F N -1.011 119.051 119.950 0.187 0.000 2.457 333 F HA -0.236 4.291 4.527 0.000 0.000 0.290 333 F C 0.189 175.979 175.800 -0.017 0.000 1.058 333 F CA 0.348 58.447 58.000 0.166 0.000 1.051 333 F CB -0.890 38.190 39.000 0.133 0.000 1.331 333 F HN 0.171 nan 8.300 nan 0.000 0.814 334 I N 1.807 122.457 120.570 0.133 0.000 2.563 334 I HA 0.540 4.710 4.170 0.000 0.000 0.276 334 I C 0.736 176.780 176.117 -0.121 0.000 1.074 334 I CA 0.018 61.284 61.300 -0.057 0.000 1.124 334 I CB 1.267 39.214 38.000 -0.089 0.000 1.225 334 I HN 0.613 nan 8.210 nan 0.000 0.482 335 G N 4.762 113.564 108.800 0.003 0.000 2.596 335 G HA2 0.049 4.009 3.960 0.000 0.000 0.233 335 G HA3 0.049 4.009 3.960 0.000 0.000 0.233 335 G C -0.592 174.367 174.900 0.098 0.000 2.234 335 G CA -0.501 44.610 45.100 0.018 0.000 0.878 335 G HN 0.389 nan 8.290 nan 0.000 0.491 336 L N 0.432 121.667 121.223 0.020 0.000 3.086 336 L HA 0.538 4.878 4.340 0.000 0.000 0.274 336 L C 1.254 177.984 176.870 -0.234 0.000 1.184 336 L CA 0.376 55.263 54.840 0.079 0.000 1.002 336 L CB 0.236 42.526 42.059 0.385 0.000 1.383 336 L HN 0.640 nan 8.230 nan 0.000 0.582 337 M N -2.565 116.767 119.600 -0.447 0.000 2.852 337 M HA 0.503 4.983 4.480 0.000 0.000 0.301 337 M C -1.288 174.705 176.300 -0.512 0.000 1.229 337 M CA -0.752 54.097 55.300 -0.751 0.000 0.832 337 M CB 1.411 33.191 32.600 -1.366 0.000 1.726 337 M HN -0.156 nan 8.290 nan 0.000 0.497 338 Y N 0.274 120.825 120.300 0.418 0.000 2.587 338 Y HA 0.412 4.962 4.550 0.000 0.000 0.328 338 Y C -1.312 174.673 175.900 0.141 0.000 0.980 338 Y CA -0.532 57.719 58.100 0.251 0.000 1.272 338 Y CB 0.316 38.882 38.460 0.177 0.000 1.094 338 Y HN 0.434 nan 8.280 nan 0.000 0.503 339 Y N 3.387 123.806 120.300 0.198 0.000 2.691 339 Y HA 0.174 4.724 4.550 0.000 0.000 0.338 339 Y C -0.036 175.910 175.900 0.075 0.000 1.148 339 Y CA -0.831 57.336 58.100 0.113 0.000 1.430 339 Y CB -0.255 38.214 38.460 0.015 0.000 1.303 339 Y HN 0.719 nan 8.280 nan 0.000 0.499 340 N N -0.611 118.188 118.700 0.164 0.000 3.049 340 N HA -0.159 4.581 4.740 0.000 0.000 0.243 340 N C -1.047 174.497 175.510 0.057 0.000 1.053 340 N CA 0.785 53.888 53.050 0.087 0.000 0.869 340 N CB -1.389 37.156 38.487 0.096 0.000 1.114 340 N HN 0.322 nan 8.380 nan 0.000 0.547 341 S N -1.969 113.772 115.700 0.068 0.000 2.451 341 S HA 0.550 5.020 4.470 0.000 0.000 0.301 341 S C 1.279 175.864 174.600 -0.025 0.000 1.116 341 S CA -0.571 57.655 58.200 0.043 0.000 1.093 341 S CB 2.237 65.500 63.200 0.105 0.000 1.017 341 S HN 0.113 nan 8.310 nan 0.000 0.482 342 T N 3.425 117.953 114.554 -0.044 0.000 2.529 342 T HA -0.025 4.325 4.350 0.000 0.000 0.261 342 T C 1.812 176.427 174.700 -0.142 0.000 1.110 342 T CA 1.948 63.997 62.100 -0.085 0.000 1.192 342 T CB -1.267 67.565 68.868 -0.060 0.000 0.864 342 T HN 0.989 nan 8.240 nan 0.000 0.407 343 G N 3.515 112.241 108.800 -0.124 0.000 3.475 343 G HA2 -0.309 3.651 3.960 0.000 0.000 0.670 343 G HA3 -0.309 3.651 3.960 0.000 0.000 0.670 343 G C 0.265 174.967 174.900 -0.331 0.000 0.911 343 G CA 0.985 45.974 45.100 -0.185 0.000 0.746 343 G HN 0.683 nan 8.290 nan 0.000 1.236 344 N N 0.682 119.045 118.700 -0.562 0.000 2.489 344 N HA 0.578 5.318 4.740 0.000 0.000 0.284 344 N C 0.314 175.190 175.510 -1.056 0.000 1.158 344 N CA 0.436 52.993 53.050 -0.820 0.000 0.965 344 N CB 1.959 39.892 38.487 -0.923 0.000 1.195 344 N HN 0.947 nan 8.380 nan 0.000 0.506 345 M N -2.123 116.870 119.600 -1.012 0.000 3.506 345 M HA 0.347 4.827 4.480 0.000 0.000 0.338 345 M C -1.834 173.482 176.300 -1.640 0.000 1.270 345 M CA -0.799 53.534 55.300 -1.611 0.000 0.907 345 M CB 1.005 32.765 32.600 -1.401 0.000 2.012 345 M HN 0.442 nan 8.290 nan 0.000 0.541 346 G N 0.700 108.137 108.800 -2.272 0.000 2.389 346 G HA2 0.579 4.539 3.960 0.000 0.000 0.328 346 G HA3 0.579 4.539 3.960 0.000 0.000 0.328 346 G C -0.646 173.575 174.900 -1.131 0.000 1.133 346 G CA -0.436 43.919 45.100 -1.241 0.000 0.891 346 G HN 0.611 nan 8.290 nan 0.000 0.485 347 V N 1.578 120.975 119.914 -0.862 0.000 6.138 347 V HA 0.637 4.757 4.120 0.000 0.000 0.265 347 V C 0.866 176.699 176.094 -0.435 0.000 1.524 347 V CA -0.202 61.770 62.300 -0.548 0.000 0.637 347 V CB 0.562 32.192 31.823 -0.322 0.000 1.405 347 V HN 0.790 nan 8.190 nan 0.000 0.360 348 L N -0.429 120.702 121.223 -0.153 0.000 1.474 348 L HA 0.077 4.417 4.340 0.000 0.000 0.487 348 L C -0.257 176.662 176.870 0.082 0.000 0.833 348 L CA -0.032 54.835 54.840 0.044 0.000 1.577 348 L CB -1.146 40.979 42.059 0.110 0.000 1.423 348 L HN 0.642 nan 8.230 nan 0.000 0.321 349 A N -0.095 122.761 122.820 0.060 0.000 2.401 349 A HA 0.608 4.928 4.320 0.000 0.000 0.259 349 A C 1.177 178.839 177.584 0.130 0.000 1.103 349 A CA 0.592 52.672 52.037 0.071 0.000 0.789 349 A CB 0.647 19.657 19.000 0.017 0.000 1.035 349 A HN 0.560 nan 8.150 nan 0.000 0.491 350 G N 1.355 110.226 108.800 0.119 0.000 2.764 350 G HA2 0.144 4.104 3.960 0.000 0.000 0.278 350 G HA3 0.144 4.104 3.960 0.000 0.000 0.278 350 G C 0.622 175.519 174.900 -0.005 0.000 0.686 350 G CA 0.077 45.211 45.100 0.057 0.000 2.105 350 G HN 0.951 nan 8.290 nan 0.000 0.562 351 Q N 0.824 120.630 119.800 0.011 0.000 2.595 351 Q HA -0.208 4.132 4.340 0.000 0.000 0.219 351 Q C 2.250 178.233 176.000 -0.028 0.000 0.984 351 Q CA 1.052 56.853 55.803 -0.003 0.000 0.910 351 Q CB -0.046 28.700 28.738 0.014 0.000 0.956 351 Q HN 0.629 nan 8.270 nan 0.000 0.533 352 A N -1.343 121.446 122.820 -0.052 0.000 2.238 352 A HA 0.045 4.365 4.320 0.000 0.000 0.208 352 A C 1.611 179.180 177.584 -0.025 0.000 1.177 352 A CA 0.935 52.943 52.037 -0.048 0.000 0.804 352 A CB 0.226 19.184 19.000 -0.070 0.000 0.823 352 A HN 0.308 nan 8.150 nan 0.000 0.482 353 S N -3.538 112.151 115.700 -0.018 0.000 4.193 353 S HA 0.255 4.725 4.470 0.000 0.000 0.211 353 S C 0.862 175.457 174.600 -0.008 0.000 1.162 353 S CA 1.081 59.276 58.200 -0.008 0.000 1.039 353 S CB 0.375 63.574 63.200 -0.002 0.000 1.371 353 S HN 0.405 nan 8.310 nan 0.000 0.550 354 Q N -0.825 118.973 119.800 -0.004 0.000 7.698 354 Q HA -0.029 4.311 4.340 0.000 0.000 0.358 354 Q C -1.296 174.701 176.000 -0.004 0.000 0.943 354 Q CA 0.460 56.261 55.803 -0.004 0.000 0.576 354 Q CB -0.987 27.744 28.738 -0.011 0.000 0.226 354 Q HN 0.415 nan 8.270 nan 0.000 0.922 355 L N 3.282 124.503 121.223 -0.003 0.000 2.623 355 L HA 0.213 4.553 4.340 0.000 0.000 0.281 355 L C 0.661 177.534 176.870 0.005 0.000 1.150 355 L CA 0.959 55.797 54.840 -0.003 0.000 0.965 355 L CB -0.984 41.075 42.059 -0.001 0.000 1.303 355 L HN 0.304 nan 8.230 nan 0.000 0.467 356 N N 2.754 121.453 118.700 -0.002 0.000 2.294 356 N HA 0.317 5.057 4.740 0.000 0.000 0.248 356 N C 0.581 176.097 175.510 0.011 0.000 1.300 356 N CA 0.602 53.656 53.050 0.007 0.000 0.925 356 N CB 1.060 39.535 38.487 -0.021 0.000 1.188 356 N HN 0.530 nan 8.380 nan 0.000 0.512 357 A N -0.285 122.548 122.820 0.023 0.000 2.508 357 A HA 0.255 4.575 4.320 0.000 0.000 0.250 357 A C -0.103 177.505 177.584 0.039 0.000 1.208 357 A CA -0.277 51.785 52.037 0.042 0.000 0.960 357 A CB -0.041 19.002 19.000 0.072 0.000 1.099 357 A HN 0.367 nan 8.150 nan 0.000 0.542 358 V N 1.282 121.191 119.914 -0.009 0.000 2.530 358 V HA 0.433 4.553 4.120 0.000 0.000 0.282 358 V C -0.778 175.269 176.094 -0.079 0.000 1.048 358 V CA 0.201 62.470 62.300 -0.052 0.000 0.997 358 V CB 1.425 33.172 31.823 -0.126 0.000 0.987 358 V HN 0.133 nan 8.190 nan 0.000 0.477 359 V N 5.984 125.859 119.914 -0.065 0.000 2.454 359 V HA 0.301 4.421 4.120 0.000 0.000 0.267 359 V C -0.543 175.502 176.094 -0.081 0.000 0.993 359 V CA -0.719 61.545 62.300 -0.060 0.000 0.836 359 V CB 1.389 33.214 31.823 0.003 0.000 1.055 359 V HN 0.848 nan 8.190 nan 0.000 0.452 360 D N 3.665 123.984 120.400 -0.136 0.000 2.416 360 D HA 0.296 4.936 4.640 0.000 0.000 0.240 360 D C -0.051 176.206 176.300 -0.072 0.000 1.250 360 D CA 0.385 54.310 54.000 -0.125 0.000 0.967 360 D CB 0.749 41.444 40.800 -0.174 0.000 1.059 360 D HN 0.373 nan 8.370 nan 0.000 0.512 361 L N 2.626 123.828 121.223 -0.035 0.000 2.418 361 L HA 0.095 4.435 4.340 0.000 0.000 0.265 361 L C 1.764 178.625 176.870 -0.015 0.000 1.143 361 L CA -0.478 54.349 54.840 -0.022 0.000 0.809 361 L CB 0.939 42.990 42.059 -0.013 0.000 1.124 361 L HN 0.324 nan 8.230 nan 0.000 0.456 362 Q N 1.481 121.274 119.800 -0.013 0.000 1.806 362 Q HA -0.184 4.156 4.340 0.000 0.000 0.277 362 Q C 0.113 176.110 176.000 -0.004 0.000 0.993 362 Q CA 1.587 57.387 55.803 -0.004 0.000 0.888 362 Q CB -0.653 28.084 28.738 -0.003 0.000 0.941 362 Q HN 0.871 nan 8.270 nan 0.000 0.420 363 D N 0.965 121.358 120.400 -0.011 0.000 2.659 363 D HA 0.014 4.654 4.640 0.000 0.000 0.275 363 D C -0.054 176.218 176.300 -0.046 0.000 1.407 363 D CA 0.608 54.595 54.000 -0.021 0.000 1.033 363 D CB 0.183 40.979 40.800 -0.006 0.000 1.139 363 D HN 0.165 nan 8.370 nan 0.000 0.565 364 R N 1.502 121.988 120.500 -0.024 0.000 3.431 364 R HA 0.366 4.706 4.340 0.000 0.000 0.267 364 R C -1.723 174.597 176.300 0.033 0.000 0.910 364 R CA -0.827 55.261 56.100 -0.021 0.000 0.782 364 R CB 0.417 30.713 30.300 -0.006 0.000 1.663 364 R HN 0.566 nan 8.270 nan 0.000 0.451 365 N N -0.745 117.985 118.700 0.049 0.000 5.326 365 N HA -0.012 4.728 4.740 0.000 0.000 0.147 365 N C -1.324 174.197 175.510 0.019 0.000 1.192 365 N CA 0.354 53.450 53.050 0.076 0.000 1.002 365 N CB 0.322 38.885 38.487 0.126 0.000 1.610 365 N HN 0.528 nan 8.380 nan 0.000 1.009 366 T N -0.066 114.507 114.554 0.031 0.000 3.105 366 T HA 0.124 4.474 4.350 0.000 0.000 0.253 366 T C 1.075 175.588 174.700 -0.312 0.000 1.047 366 T CA 0.108 62.208 62.100 -0.000 0.000 0.944 366 T CB 0.217 69.255 68.868 0.284 0.000 1.016 366 T HN 0.611 nan 8.240 nan 0.000 0.544 367 E N 1.380 121.303 120.200 -0.461 0.000 2.268 367 E HA 0.002 4.352 4.350 0.000 0.000 0.195 367 E C 1.479 177.877 176.600 -0.337 0.000 0.995 367 E CA 0.683 56.632 56.400 -0.751 0.000 0.836 367 E CB 0.045 29.513 29.700 -0.388 0.000 0.763 367 E HN 0.697 nan 8.360 nan 0.000 0.491 368 L N -2.403 118.743 121.223 -0.128 0.000 3.410 368 L HA 0.399 4.739 4.340 0.000 0.000 0.309 368 L C 0.542 177.382 176.870 -0.052 0.000 1.254 368 L CA -0.115 54.745 54.840 0.035 0.000 1.048 368 L CB 0.675 42.646 42.059 -0.147 0.000 1.442 368 L HN -0.166 nan 8.230 nan 0.000 0.615 369 S N 0.259 115.920 115.700 -0.064 0.000 2.803 369 S HA 0.083 4.553 4.470 0.000 0.000 0.228 369 S C 0.835 175.400 174.600 -0.058 0.000 0.953 369 S CA 0.274 58.402 58.200 -0.119 0.000 0.983 369 S CB -0.464 62.664 63.200 -0.119 0.000 0.784 369 S HN 0.818 nan 8.310 nan 0.000 0.498 370 Y N -0.914 119.258 120.300 -0.215 0.000 2.453 370 Y HA 0.464 5.014 4.550 0.000 0.000 0.247 370 Y C 0.942 176.733 175.900 -0.181 0.000 1.124 370 Y CA -0.383 57.610 58.100 -0.178 0.000 1.243 370 Y CB 0.266 38.621 38.460 -0.175 0.000 1.213 370 Y HN 0.069 nan 8.280 nan 0.000 0.523 371 Q N 1.533 121.009 119.800 -0.539 0.000 2.241 371 Q HA 0.356 4.696 4.340 0.000 0.000 0.296 371 Q C 0.301 176.099 176.000 -0.337 0.000 0.889 371 Q CA 0.066 55.523 55.803 -0.576 0.000 1.089 371 Q CB 0.737 29.158 28.738 -0.529 0.000 1.195 371 Q HN 0.656 nan 8.270 nan 0.000 0.451 372 L N -0.596 120.380 121.223 -0.412 0.000 2.749 372 L HA 0.140 4.480 4.340 0.000 0.000 0.242 372 L C 0.350 176.887 176.870 -0.555 0.000 1.103 372 L CA 0.138 54.653 54.840 -0.543 0.000 0.906 372 L CB 0.606 42.085 42.059 -0.967 0.000 1.228 372 L HN 0.153 nan 8.230 nan 0.000 0.517 373 L N 0.881 121.848 121.223 -0.426 0.000 3.048 373 L HA 0.290 4.630 4.340 0.000 0.000 0.234 373 L C 0.823 177.511 176.870 -0.302 0.000 1.318 373 L CA 0.528 55.184 54.840 -0.308 0.000 1.109 373 L CB -0.184 41.761 42.059 -0.188 0.000 1.480 373 L HN 0.245 nan 8.230 nan 0.000 0.495 374 L N -0.348 120.616 121.223 -0.432 0.000 2.609 374 L HA 0.084 4.424 4.340 0.000 0.000 0.230 374 L C 1.849 178.404 176.870 -0.525 0.000 1.064 374 L CA 0.336 54.927 54.840 -0.415 0.000 0.873 374 L CB 0.536 42.395 42.059 -0.334 0.000 1.139 374 L HN 0.365 nan 8.230 nan 0.000 0.490 375 D N -0.622 119.301 120.400 -0.795 0.000 2.259 375 D HA -0.092 4.548 4.640 0.000 0.000 0.216 375 D C 1.218 177.344 176.300 -0.289 0.000 0.961 375 D CA 0.792 54.411 54.000 -0.635 0.000 0.878 375 D CB 0.041 40.319 40.800 -0.869 0.000 1.009 375 D HN 0.186 nan 8.370 nan 0.000 0.490 376 S N 0.290 115.839 115.700 -0.251 0.000 3.208 376 S HA 0.479 4.949 4.470 0.000 0.000 0.195 376 S C 0.640 175.185 174.600 -0.091 0.000 1.394 376 S CA -0.738 57.391 58.200 -0.119 0.000 1.127 376 S CB -0.826 62.327 63.200 -0.077 0.000 1.282 376 S HN 0.429 nan 8.310 nan 0.000 0.513 377 I N -3.547 116.969 120.570 -0.090 0.000 4.592 377 I HA 0.625 4.795 4.170 0.000 0.000 0.404 377 I C 0.345 176.431 176.117 -0.052 0.000 1.013 377 I CA -0.015 61.245 61.300 -0.067 0.000 1.376 377 I CB 0.236 38.173 38.000 -0.106 0.000 2.588 377 I HN 0.624 nan 8.210 nan 0.000 0.794 378 G N 0.210 108.978 108.800 -0.053 0.000 2.345 378 G HA2 0.272 4.232 3.960 0.000 0.000 0.285 378 G HA3 0.272 4.232 3.960 0.000 0.000 0.285 378 G C -2.255 172.622 174.900 -0.038 0.000 1.297 378 G CA -0.593 44.486 45.100 -0.034 0.000 0.875 378 G HN 0.029 nan 8.290 nan 0.000 0.506 379 D N -0.071 120.309 120.400 -0.033 0.000 2.264 379 D HA 0.644 5.284 4.640 0.000 0.000 0.250 379 D C 1.102 177.367 176.300 -0.058 0.000 1.113 379 D CA -0.270 53.710 54.000 -0.033 0.000 0.871 379 D CB 0.956 41.740 40.800 -0.026 0.000 1.167 379 D HN 0.339 nan 8.370 nan 0.000 0.447 380 R N 1.117 121.583 120.500 -0.056 0.000 2.541 380 R HA 0.025 4.365 4.340 0.000 0.000 0.332 380 R C 1.295 177.537 176.300 -0.096 0.000 0.951 380 R CA 0.144 56.207 56.100 -0.063 0.000 1.136 380 R CB 0.062 30.347 30.300 -0.026 0.000 1.449 380 R HN 0.483 nan 8.270 nan 0.000 0.531 381 T N -0.036 114.458 114.554 -0.099 0.000 3.219 381 T HA -0.032 4.318 4.350 0.000 0.000 0.264 381 T C 0.792 175.320 174.700 -0.287 0.000 1.178 381 T CA 0.472 62.492 62.100 -0.133 0.000 1.057 381 T CB -0.048 68.769 68.868 -0.084 0.000 0.919 381 T HN 0.187 nan 8.240 nan 0.000 0.545 382 R N -0.972 119.337 120.500 -0.318 0.000 2.917 382 R HA 0.635 4.975 4.340 0.000 0.000 0.220 382 R C -0.740 175.249 176.300 -0.518 0.000 1.485 382 R CA -0.942 54.822 56.100 -0.559 0.000 1.037 382 R CB 0.426 30.564 30.300 -0.270 0.000 1.929 382 R HN 0.246 nan 8.270 nan 0.000 0.526 383 Y N -1.391 118.928 120.300 0.032 0.000 2.693 383 Y HA 0.705 5.255 4.550 0.000 0.000 0.331 383 Y C -0.246 175.785 175.900 0.219 0.000 1.092 383 Y CA -1.291 56.832 58.100 0.039 0.000 1.131 383 Y CB 1.201 39.720 38.460 0.099 0.000 1.318 383 Y HN 0.676 nan 8.280 nan 0.000 0.510 384 F N -1.321 118.782 119.950 0.254 0.000 3.174 384 F HA 0.501 5.028 4.527 0.000 0.000 0.333 384 F C -0.857 175.076 175.800 0.221 0.000 1.090 384 F CA -0.303 57.806 58.000 0.182 0.000 0.853 384 F CB 0.446 39.495 39.000 0.081 0.000 1.463 384 F HN 0.535 nan 8.300 nan 0.000 0.451 385 S N 0.814 115.558 115.700 -1.592 0.000 4.294 385 S HA 0.671 5.141 4.470 0.000 0.000 0.254 385 S C -0.027 173.798 174.600 -1.292 0.000 1.087 385 S CA 0.359 57.887 58.200 -1.121 0.000 1.452 385 S CB 0.932 63.833 63.200 -0.499 0.000 1.502 385 S HN 1.526 nan 8.310 nan 0.000 0.698 386 M N -0.606 118.555 119.600 -0.732 0.000 7.293 386 M HA -0.225 4.255 4.480 0.000 0.000 0.140 386 M C 0.576 176.602 176.300 -0.458 0.000 0.482 386 M CA 2.597 57.511 55.300 -0.644 0.000 1.307 386 M CB -2.415 29.618 32.600 -0.944 0.000 0.456 386 M HN 0.749 nan 8.290 nan 0.000 0.255 387 W N 1.112 122.323 121.300 -0.148 0.000 2.161 387 W HA -0.008 4.652 4.660 0.000 0.000 0.306 387 W C 1.831 177.910 176.519 -0.734 0.000 1.069 387 W CA 1.278 58.467 57.345 -0.259 0.000 1.145 387 W CB -0.603 28.918 29.460 0.101 0.000 1.197 387 W HN 0.529 nan 8.180 nan 0.000 0.463 388 N N -1.965 116.673 118.700 -0.103 0.000 1.958 388 N HA -0.050 4.690 4.740 0.000 0.000 0.223 388 N C -0.378 175.140 175.510 0.013 0.000 1.395 388 N CA -0.062 52.895 53.050 -0.154 0.000 0.737 388 N CB -0.107 38.268 38.487 -0.186 0.000 1.155 388 N HN 0.027 nan 8.380 nan 0.000 0.529 389 Q N 1.558 121.431 119.800 0.122 0.000 2.394 389 Q HA 0.222 4.562 4.340 0.000 0.000 0.347 389 Q C -0.532 175.531 176.000 0.105 0.000 1.144 389 Q CA 0.934 56.865 55.803 0.214 0.000 1.050 389 Q CB 0.401 29.480 28.738 0.568 0.000 1.188 389 Q HN 0.355 nan 8.270 nan 0.000 0.406 390 A N 2.703 125.552 122.820 0.049 0.000 2.592 390 A HA 0.129 4.449 4.320 0.000 0.000 0.300 390 A C -1.158 176.396 177.584 -0.050 0.000 0.994 390 A CA -0.249 51.732 52.037 -0.093 0.000 0.707 390 A CB 0.410 19.246 19.000 -0.275 0.000 1.273 390 A HN 0.531 nan 8.150 nan 0.000 0.413 391 V N 2.247 122.128 119.914 -0.055 0.000 2.070 391 V HA 0.232 4.352 4.120 0.000 0.000 0.239 391 V C -0.325 175.734 176.094 -0.057 0.000 1.472 391 V CA 0.145 62.420 62.300 -0.043 0.000 1.453 391 V CB -1.353 30.444 31.823 -0.044 0.000 1.503 391 V HN 0.677 nan 8.190 nan 0.000 0.501 392 D N 4.249 124.634 120.400 -0.026 0.000 2.356 392 D HA 0.217 4.857 4.640 0.000 0.000 0.272 392 D C 0.972 177.307 176.300 0.058 0.000 1.337 392 D CA 0.798 54.808 54.000 0.017 0.000 0.970 392 D CB 0.718 41.551 40.800 0.055 0.000 1.092 392 D HN 0.702 nan 8.370 nan 0.000 0.516 393 S N 1.550 117.196 115.700 -0.091 0.000 5.084 393 S HA 0.251 4.721 4.470 0.000 0.000 0.156 393 S C -0.624 173.754 174.600 -0.370 0.000 1.073 393 S CA -0.557 57.451 58.200 -0.320 0.000 1.336 393 S CB 0.337 63.203 63.200 -0.556 0.000 1.919 393 S HN 0.582 nan 8.310 nan 0.000 0.624 394 Y N 0.036 120.193 120.300 -0.237 0.000 2.122 394 Y HA 0.478 5.028 4.550 0.000 0.000 0.319 394 Y C -1.617 174.206 175.900 -0.128 0.000 1.402 394 Y CA -1.541 56.404 58.100 -0.259 0.000 1.625 394 Y CB -1.008 37.183 38.460 -0.448 0.000 1.235 394 Y HN 0.202 nan 8.280 nan 0.000 0.420 395 D N 7.301 127.713 120.400 0.020 0.000 2.520 395 D HA 0.117 4.757 4.640 0.000 0.000 0.243 395 D C -1.220 175.176 176.300 0.160 0.000 1.160 395 D CA -0.582 53.447 54.000 0.048 0.000 0.877 395 D CB 1.077 41.949 40.800 0.119 0.000 1.150 395 D HN 0.387 nan 8.370 nan 0.000 0.494 396 P HA -0.213 nan 4.420 nan 0.000 0.218 396 P C 0.217 177.625 177.300 0.181 0.000 1.147 396 P CA 1.108 64.376 63.100 0.279 0.000 0.827 396 P CB 0.110 31.894 31.700 0.141 0.000 0.778 397 D N -1.029 119.465 120.400 0.156 0.000 2.417 397 D HA -0.007 4.633 4.640 0.000 0.000 0.240 397 D C 0.793 177.136 176.300 0.071 0.000 1.062 397 D CA 0.488 54.561 54.000 0.122 0.000 0.959 397 D CB -0.068 40.869 40.800 0.228 0.000 0.877 397 D HN 0.123 nan 8.370 nan 0.000 0.528 398 V N -1.884 118.102 119.914 0.119 0.000 3.109 398 V HA 0.380 4.500 4.120 0.000 0.000 0.311 398 V C 0.963 176.936 176.094 -0.202 0.000 1.389 398 V CA -1.265 61.094 62.300 0.098 0.000 1.034 398 V CB 1.530 33.501 31.823 0.247 0.000 1.105 398 V HN -0.218 nan 8.190 nan 0.000 0.477 399 R N 0.844 121.098 120.500 -0.409 0.000 3.788 399 R HA -0.261 4.079 4.340 0.000 0.000 0.437 399 R C 0.569 176.550 176.300 -0.532 0.000 0.259 399 R CA 2.610 58.279 56.100 -0.718 0.000 1.341 399 R CB -1.911 27.209 30.300 -1.967 0.000 0.893 399 R HN 0.791 nan 8.270 nan 0.000 0.578 400 I N 4.776 124.917 120.570 -0.715 0.000 3.289 400 I HA -0.109 4.061 4.170 0.000 0.000 0.295 400 I C 0.648 176.612 176.117 -0.255 0.000 1.170 400 I CA 0.114 61.188 61.300 -0.377 0.000 1.643 400 I CB -1.791 36.055 38.000 -0.257 0.000 1.567 400 I HN 0.219 nan 8.210 nan 0.000 0.760 401 I N 4.483 124.919 120.570 -0.223 0.000 3.583 401 I HA -0.216 3.954 4.170 0.000 0.000 0.321 401 I C 1.249 177.235 176.117 -0.218 0.000 1.226 401 I CA 0.859 62.035 61.300 -0.206 0.000 1.603 401 I CB -1.272 36.643 38.000 -0.142 0.000 1.352 401 I HN 0.677 nan 8.210 nan 0.000 0.460 402 E N 7.995 128.022 120.200 -0.287 0.000 1.893 402 E HA 0.109 4.459 4.350 0.000 0.000 0.269 402 E C -0.264 176.036 176.600 -0.500 0.000 1.129 402 E CA -0.566 55.641 56.400 -0.322 0.000 0.904 402 E CB 0.260 29.789 29.700 -0.285 0.000 1.077 402 E HN 0.574 nan 8.360 nan 0.000 0.407 403 N N 5.041 123.529 118.700 -0.355 0.000 2.816 403 N HA 0.036 4.776 4.740 0.000 0.000 0.236 403 N C -0.589 174.889 175.510 -0.053 0.000 1.076 403 N CA -0.564 52.320 53.050 -0.277 0.000 0.902 403 N CB 0.162 38.472 38.487 -0.295 0.000 1.149 403 N HN 0.542 nan 8.380 nan 0.000 0.506 404 H N 0.453 119.634 119.070 0.184 0.000 2.638 404 H HA 0.310 4.866 4.556 0.000 0.000 0.232 404 H C 1.228 176.704 175.328 0.246 0.000 1.756 404 H CA -0.617 55.526 56.048 0.157 0.000 1.234 404 H CB -0.596 29.218 29.762 0.086 0.000 1.616 404 H HN 0.594 nan 8.280 nan 0.000 0.510 405 G N 2.193 111.314 108.800 0.535 0.000 2.498 405 G HA2 -0.337 3.623 3.960 0.000 0.000 0.668 405 G HA3 -0.337 3.623 3.960 0.000 0.000 0.668 405 G C -0.011 174.986 174.900 0.162 0.000 1.358 405 G CA 0.479 45.956 45.100 0.629 0.000 0.901 405 G HN 0.631 nan 8.290 nan 0.000 0.521 406 T N -1.163 113.362 114.554 -0.049 0.000 2.929 406 T HA 0.605 4.955 4.350 0.000 0.000 0.284 406 T C 0.038 174.613 174.700 -0.209 0.000 1.014 406 T CA -0.407 61.432 62.100 -0.435 0.000 1.051 406 T CB 2.263 70.861 68.868 -0.449 0.000 1.028 406 T HN 0.484 nan 8.240 nan 0.000 0.485 407 E N 1.348 121.406 120.200 -0.238 0.000 2.947 407 E HA 0.140 4.490 4.350 0.000 0.000 0.229 407 E C 0.531 177.048 176.600 -0.139 0.000 1.158 407 E CA -0.242 56.070 56.400 -0.147 0.000 1.441 407 E CB 0.167 29.782 29.700 -0.140 0.000 1.414 407 E HN 0.689 nan 8.360 nan 0.000 0.432 408 D N -0.055 120.262 120.400 -0.139 0.000 2.733 408 D HA -0.017 4.623 4.640 0.000 0.000 0.262 408 D C 0.645 176.895 176.300 -0.083 0.000 1.497 408 D CA 0.310 54.237 54.000 -0.123 0.000 1.101 408 D CB -0.026 40.685 40.800 -0.147 0.000 1.014 408 D HN 0.014 nan 8.370 nan 0.000 0.319 409 E N -1.103 119.056 120.200 -0.069 0.000 3.811 409 E HA -0.185 4.165 4.350 0.000 0.000 0.301 409 E C -0.221 176.349 176.600 -0.050 0.000 0.657 409 E CA 1.024 57.396 56.400 -0.047 0.000 1.066 409 E CB -0.734 28.946 29.700 -0.033 0.000 1.589 409 E HN 0.370 nan 8.360 nan 0.000 0.431 410 L N 0.382 121.565 121.223 -0.067 0.000 2.333 410 L HA 0.469 4.809 4.340 0.000 0.000 0.269 410 L C -2.164 174.630 176.870 -0.127 0.000 1.010 410 L CA -2.037 52.762 54.840 -0.069 0.000 0.818 410 L CB 1.377 43.411 42.059 -0.042 0.000 1.306 410 L HN -0.139 nan 8.230 nan 0.000 0.430 411 P HA 0.136 nan 4.420 nan 0.000 0.271 411 P C -1.403 175.539 177.300 -0.598 0.000 1.216 411 P CA -0.141 62.764 63.100 -0.325 0.000 0.771 411 P CB 0.486 32.013 31.700 -0.289 0.000 0.864 412 N N 2.163 120.522 118.700 -0.569 0.000 2.417 412 N HA 0.343 5.083 4.740 0.000 0.000 0.300 412 N C -0.213 174.888 175.510 -0.682 0.000 1.102 412 N CA -0.523 52.201 53.050 -0.543 0.000 0.886 412 N CB 0.954 39.284 38.487 -0.261 0.000 1.203 412 N HN 0.409 nan 8.380 nan 0.000 0.496 413 Y N -0.377 119.873 120.300 -0.083 0.000 3.211 413 Y HA 0.641 5.191 4.550 0.000 0.000 0.345 413 Y C 0.370 176.153 175.900 -0.195 0.000 1.334 413 Y CA -0.851 57.145 58.100 -0.173 0.000 0.933 413 Y CB 0.611 38.984 38.460 -0.145 0.000 1.250 413 Y HN 0.434 nan 8.280 nan 0.000 0.831 414 C N 1.235 120.504 119.300 -0.052 0.000 2.443 414 C HA 0.223 4.683 4.460 0.000 0.000 0.365 414 C C -1.443 173.452 174.990 -0.158 0.000 0.746 414 C CA -1.201 57.776 59.018 -0.069 0.000 1.131 414 C CB -2.149 25.545 27.740 -0.078 0.000 1.411 414 C HN 0.570 nan 8.230 nan 0.000 0.557 415 F N 3.700 123.677 119.950 0.046 0.000 2.403 415 F HA 0.642 5.169 4.527 0.000 0.000 0.326 415 F C -0.905 174.898 175.800 0.005 0.000 1.081 415 F CA -1.415 56.601 58.000 0.027 0.000 1.041 415 F CB 0.592 39.585 39.000 -0.011 0.000 1.234 415 F HN 0.351 nan 8.300 nan 0.000 0.503 416 P HA -0.129 nan 4.420 nan 0.000 0.273 416 P C 0.903 178.232 177.300 0.048 0.000 1.237 416 P CA -0.133 63.049 63.100 0.138 0.000 0.813 416 P CB 0.510 32.298 31.700 0.148 0.000 0.930 417 L N -0.166 121.053 121.223 -0.005 0.000 2.362 417 L HA -0.036 4.304 4.340 0.000 0.000 0.219 417 L C 1.332 178.002 176.870 -0.333 0.000 1.134 417 L CA 2.580 57.298 54.840 -0.204 0.000 0.807 417 L CB -1.016 40.878 42.059 -0.275 0.000 0.927 417 L HN 0.780 nan 8.230 nan 0.000 0.447 418 G N -3.165 105.561 108.800 -0.122 0.000 4.474 418 G HA2 0.200 4.160 3.960 0.000 0.000 0.202 418 G HA3 0.200 4.160 3.960 0.000 0.000 0.202 418 G C 0.520 175.425 174.900 0.007 0.000 0.708 418 G CA 0.295 45.342 45.100 -0.089 0.000 0.806 418 G HN 0.471 nan 8.290 nan 0.000 0.508 419 G N -0.984 107.850 108.800 0.056 0.000 3.420 419 G HA2 0.600 4.560 3.960 0.000 0.000 0.142 419 G HA3 0.600 4.560 3.960 0.000 0.000 0.142 419 G C -0.468 174.475 174.900 0.072 0.000 1.209 419 G CA 1.013 46.143 45.100 0.051 0.000 1.454 419 G HN 1.296 nan 8.290 nan 0.000 0.728 420 V N -1.033 118.936 119.914 0.091 0.000 5.814 420 V HA 0.672 4.792 4.120 0.000 0.000 0.316 420 V C -0.253 175.902 176.094 0.102 0.000 1.698 420 V CA 0.700 63.058 62.300 0.096 0.000 0.748 420 V CB 0.884 32.743 31.823 0.060 0.000 1.374 420 V HN 1.193 nan 8.190 nan 0.000 0.419 421 I N -1.307 119.313 120.570 0.083 0.000 5.498 421 I HA 0.148 4.318 4.170 0.000 0.000 0.345 421 I C -0.126 176.029 176.117 0.064 0.000 1.016 421 I CA 0.379 61.725 61.300 0.077 0.000 1.687 421 I CB 0.122 38.176 38.000 0.089 0.000 2.269 421 I HN 0.570 nan 8.210 nan 0.000 0.763 422 N N 3.097 121.839 118.700 0.069 0.000 2.471 422 N HA 0.046 4.786 4.740 0.000 0.000 0.205 422 N C -0.000 175.535 175.510 0.042 0.000 1.251 422 N CA 0.932 54.020 53.050 0.063 0.000 0.843 422 N CB -0.374 38.165 38.487 0.086 0.000 1.044 422 N HN 0.473 nan 8.380 nan 0.000 0.461 423 T N -0.116 114.460 114.554 0.035 0.000 2.972 423 T HA -0.047 4.303 4.350 0.000 0.000 0.245 423 T C 0.518 175.231 174.700 0.021 0.000 0.977 423 T CA -0.126 61.987 62.100 0.022 0.000 1.266 423 T CB 0.061 68.945 68.868 0.026 0.000 0.985 423 T HN 0.065 nan 8.240 nan 0.000 0.605 424 E N 3.357 123.567 120.200 0.018 0.000 2.924 424 E HA -0.056 4.294 4.350 0.000 0.000 0.236 424 E C 0.475 177.086 176.600 0.018 0.000 1.028 424 E CA 0.373 56.785 56.400 0.019 0.000 0.952 424 E CB 0.245 29.955 29.700 0.016 0.000 0.918 424 E HN 0.627 nan 8.360 nan 0.000 0.536 425 T N 3.300 117.866 114.554 0.020 0.000 2.779 425 T HA 0.050 4.400 4.350 0.000 0.000 0.348 425 T C 0.548 175.260 174.700 0.019 0.000 1.090 425 T CA 0.094 62.205 62.100 0.019 0.000 1.111 425 T CB 0.432 69.311 68.868 0.018 0.000 1.026 425 T HN 0.336 nan 8.240 nan 0.000 0.547 426 L N -0.333 120.902 121.223 0.020 0.000 2.441 426 L HA 0.598 4.938 4.340 0.000 0.000 0.240 426 L C 0.698 177.583 176.870 0.025 0.000 1.145 426 L CA -0.493 54.360 54.840 0.022 0.000 1.025 426 L CB 1.574 43.647 42.059 0.024 0.000 1.585 426 L HN 0.854 nan 8.230 nan 0.000 0.410 427 T N -1.681 112.891 114.554 0.030 0.000 3.250 427 T HA 0.364 4.714 4.350 0.000 0.000 0.110 427 T C -1.352 173.374 174.700 0.043 0.000 0.774 427 T CA -0.300 61.820 62.100 0.033 0.000 0.677 427 T CB 0.924 69.810 68.868 0.031 0.000 1.457 427 T HN 0.466 nan 8.240 nan 0.000 0.267 428 K N 0.891 121.319 120.400 0.046 0.000 2.707 428 K HA 0.541 4.861 4.320 0.000 0.000 0.275 428 K C -2.239 174.393 176.600 0.054 0.000 1.060 428 K CA -0.413 55.906 56.287 0.053 0.000 0.969 428 K CB 0.970 33.508 32.500 0.064 0.000 1.379 428 K HN 0.274 nan 8.250 nan 0.000 0.409 429 V N 2.409 122.355 119.914 0.055 0.000 3.164 429 V HA 0.762 4.883 4.120 0.000 0.000 0.313 429 V C -0.776 175.344 176.094 0.044 0.000 1.188 429 V CA -0.658 61.681 62.300 0.064 0.000 1.058 429 V CB 2.092 33.972 31.823 0.096 0.000 1.110 429 V HN 0.926 nan 8.190 nan 0.000 0.453 430 K N 0.999 121.428 120.400 0.047 0.000 2.555 430 K HA 0.622 4.942 4.320 0.000 0.000 0.279 430 K C -2.786 173.790 176.600 -0.040 0.000 0.986 430 K CA -0.994 55.292 56.287 -0.001 0.000 0.880 430 K CB 2.690 35.188 32.500 -0.003 0.000 1.474 430 K HN 0.357 nan 8.250 nan 0.000 0.433 431 P HA 0.256 nan 4.420 nan 0.000 0.193 431 P C -0.284 176.905 177.300 -0.185 0.000 1.120 431 P CA 0.752 63.712 63.100 -0.233 0.000 0.880 431 P CB 0.378 31.935 31.700 -0.238 0.000 0.728 432 K N -2.330 117.986 120.400 -0.140 0.000 6.938 432 K HA -0.135 4.185 4.320 0.000 0.000 0.476 432 K C -0.279 176.253 176.600 -0.113 0.000 0.354 432 K CA 2.289 58.515 56.287 -0.103 0.000 1.968 432 K CB -2.555 29.902 32.500 -0.073 0.000 0.604 432 K HN 0.234 nan 8.250 nan 0.000 0.786 433 T N -0.078 114.388 114.554 -0.147 0.000 3.245 433 T HA 0.068 4.418 4.350 0.000 0.000 0.434 433 T C 0.059 174.714 174.700 -0.075 0.000 0.770 433 T CA 0.939 62.959 62.100 -0.133 0.000 2.278 433 T CB -1.553 67.236 68.868 -0.131 0.000 1.692 433 T HN 0.984 nan 8.240 nan 0.000 0.677 434 G N 1.275 110.043 108.800 -0.054 0.000 2.451 434 G HA2 0.592 4.552 3.960 0.000 0.000 0.303 434 G HA3 0.592 4.552 3.960 0.000 0.000 0.303 434 G C 0.788 175.677 174.900 -0.019 0.000 1.166 434 G CA 0.273 45.357 45.100 -0.026 0.000 0.884 434 G HN 0.895 nan 8.290 nan 0.000 0.514 435 Q N -0.023 119.772 119.800 -0.009 0.000 2.363 435 Q HA -0.406 3.934 4.340 0.000 0.000 0.409 435 Q C 0.784 176.778 176.000 -0.010 0.000 1.118 435 Q CA 2.701 58.503 55.803 -0.003 0.000 0.966 435 Q CB -1.224 27.521 28.738 0.011 0.000 1.795 435 Q HN 0.739 nan 8.270 nan 0.000 0.941 436 E N 1.267 121.462 120.200 -0.008 0.000 2.679 436 E HA 0.313 4.663 4.350 0.000 0.000 0.221 436 E C 0.118 176.696 176.600 -0.038 0.000 0.928 436 E CA 0.170 56.559 56.400 -0.018 0.000 1.296 436 E CB 0.460 30.161 29.700 0.002 0.000 1.235 436 E HN 0.579 nan 8.360 nan 0.000 0.622 437 N N 0.411 119.091 118.700 -0.032 0.000 2.761 437 N HA 0.551 5.291 4.740 0.000 0.000 0.283 437 N C 0.119 175.507 175.510 -0.203 0.000 1.377 437 N CA -0.359 52.632 53.050 -0.098 0.000 0.791 437 N CB 1.984 40.567 38.487 0.160 0.000 1.540 437 N HN 0.029 nan 8.380 nan 0.000 0.539 438 G N -0.972 107.483 108.800 -0.575 0.000 2.830 438 G HA2 0.326 4.286 3.960 0.000 0.000 0.177 438 G HA3 0.326 4.286 3.960 0.000 0.000 0.177 438 G C -1.488 173.324 174.900 -0.147 0.000 1.649 438 G CA -0.220 44.633 45.100 -0.412 0.000 0.867 438 G HN 0.650 nan 8.290 nan 0.000 0.780 439 W N 1.506 122.804 121.300 -0.003 0.000 4.599 439 W HA -0.064 4.596 4.660 0.000 0.000 0.437 439 W C 0.105 176.624 176.519 0.000 0.000 1.771 439 W CA 0.382 57.726 57.345 -0.001 0.000 0.758 439 W CB -1.837 27.623 29.460 -0.000 0.000 2.910 439 W HN 0.610 nan 8.180 nan 0.000 0.944 440 E N 0.819 121.108 120.200 0.148 0.000 3.859 440 E HA 0.367 4.717 4.350 0.000 0.000 0.231 440 E C 0.320 176.962 176.600 0.070 0.000 1.100 440 E CA -0.675 55.783 56.400 0.097 0.000 0.872 440 E CB 0.680 30.417 29.700 0.061 0.000 2.962 440 E HN 0.156 nan 8.360 nan 0.000 0.546 441 K N 0.826 121.252 120.400 0.044 0.000 2.435 441 K HA 0.611 4.931 4.320 0.000 0.000 0.251 441 K C -1.313 175.303 176.600 0.027 0.000 0.954 441 K CA -0.678 55.632 56.287 0.038 0.000 0.820 441 K CB 2.718 35.239 32.500 0.035 0.000 1.292 441 K HN 0.216 nan 8.250 nan 0.000 0.436 442 D N -0.444 119.976 120.400 0.033 0.000 2.732 442 D HA 0.706 5.346 4.640 0.000 0.000 0.292 442 D C -1.506 174.828 176.300 0.056 0.000 1.135 442 D CA -0.659 53.358 54.000 0.029 0.000 1.071 442 D CB 2.322 43.133 40.800 0.018 0.000 1.457 442 D HN 0.762 nan 8.370 nan 0.000 0.547 447 S N 0.859 116.662 115.700 0.172 0.000 2.526 447 S HA 0.355 4.825 4.470 0.000 0.000 0.293 447 S C -0.383 174.246 174.600 0.048 0.000 1.092 447 S CA -0.664 57.575 58.200 0.065 0.000 0.980 447 S CB 2.177 65.425 63.200 0.079 0.000 1.048 447 S HN 0.269 nan 8.310 nan 0.000 0.483 448 D N 1.565 121.977 120.400 0.019 0.000 2.063 448 D HA 0.019 4.659 4.640 0.000 0.000 0.289 448 D C 1.576 177.887 176.300 0.019 0.000 1.111 448 D CA 0.050 54.060 54.000 0.015 0.000 1.023 448 D CB 0.210 41.010 40.800 -0.000 0.000 1.152 448 D HN 0.550 nan 8.370 nan 0.000 0.465 449 K N 0.722 121.128 120.400 0.011 0.000 2.117 449 K HA -0.257 4.063 4.320 0.000 0.000 0.215 449 K C 0.159 176.769 176.600 0.018 0.000 1.053 449 K CA 0.965 57.259 56.287 0.012 0.000 0.935 449 K CB -1.417 31.086 32.500 0.005 0.000 0.719 449 K HN 0.348 nan 8.250 nan 0.000 0.460 450 N N 3.164 121.876 118.700 0.019 0.000 2.726 450 N HA -0.149 4.591 4.740 0.000 0.000 0.307 450 N C -0.790 174.734 175.510 0.023 0.000 1.207 450 N CA 1.164 54.229 53.050 0.024 0.000 0.728 450 N CB -0.201 38.305 38.487 0.032 0.000 1.017 450 N HN 0.478 nan 8.380 nan 0.000 0.559 451 E N 1.526 121.740 120.200 0.023 0.000 2.249 451 E HA 0.452 4.802 4.350 0.000 0.000 0.280 451 E C 0.071 176.684 176.600 0.021 0.000 1.016 451 E CA -0.530 55.883 56.400 0.022 0.000 0.830 451 E CB 1.394 31.108 29.700 0.024 0.000 1.081 451 E HN 0.294 nan 8.360 nan 0.000 0.395 452 I N 2.037 122.617 120.570 0.017 0.000 2.608 452 I HA 0.184 4.354 4.170 0.000 0.000 0.295 452 I C -0.046 176.072 176.117 0.002 0.000 1.049 452 I CA -0.878 60.428 61.300 0.010 0.000 1.063 452 I CB 1.781 39.786 38.000 0.008 0.000 1.248 452 I HN 0.358 nan 8.210 nan 0.000 0.424 453 R N 4.159 124.654 120.500 -0.009 0.000 2.774 453 R HA 0.435 4.775 4.340 0.000 0.000 0.269 453 R C -1.198 175.078 176.300 -0.041 0.000 1.068 453 R CA -0.068 56.016 56.100 -0.026 0.000 1.180 453 R CB 0.582 30.857 30.300 -0.042 0.000 1.077 453 R HN 0.366 nan 8.270 nan 0.000 0.513 454 V N 4.640 124.514 119.914 -0.067 0.000 2.258 454 V HA 0.347 4.467 4.120 0.000 0.000 0.258 454 V C 1.348 177.372 176.094 -0.117 0.000 1.121 454 V CA 0.520 62.776 62.300 -0.074 0.000 0.942 454 V CB -0.459 31.325 31.823 -0.064 0.000 1.170 454 V HN 1.047 nan 8.190 nan 0.000 0.487 455 G N 5.697 114.447 108.800 -0.084 0.000 2.846 455 G HA2 -0.302 3.658 3.960 0.000 0.000 0.317 455 G HA3 -0.302 3.658 3.960 0.000 0.000 0.317 455 G C 0.192 175.022 174.900 -0.116 0.000 1.210 455 G CA 0.625 45.672 45.100 -0.088 0.000 0.972 455 G HN 0.617 nan 8.290 nan 0.000 0.567 456 N N 1.803 120.408 118.700 -0.159 0.000 2.459 456 N HA 0.579 5.319 4.740 0.000 0.000 0.288 456 N C -0.432 174.932 175.510 -0.243 0.000 1.186 456 N CA -0.486 52.466 53.050 -0.163 0.000 0.917 456 N CB 0.660 39.087 38.487 -0.101 0.000 1.219 456 N HN 0.675 nan 8.380 nan 0.000 0.525 457 N N 0.007 118.623 118.700 -0.140 0.000 2.499 457 N HA 0.299 5.039 4.740 0.000 0.000 0.281 457 N C -0.905 174.712 175.510 0.179 0.000 1.098 457 N CA -0.202 52.829 53.050 -0.033 0.000 0.979 457 N CB 0.492 38.999 38.487 0.034 0.000 1.121 457 N HN 0.283 nan 8.380 nan 0.000 0.466 458 F N 0.882 120.950 119.950 0.198 0.000 2.375 458 F HA 0.724 5.251 4.527 0.000 0.000 0.333 458 F C 0.928 176.807 175.800 0.132 0.000 1.104 458 F CA -0.737 57.356 58.000 0.156 0.000 1.149 458 F CB 0.796 39.851 39.000 0.091 0.000 1.190 458 F HN 0.651 nan 8.300 nan 0.000 0.533 459 A N 2.672 125.625 122.820 0.221 0.000 4.812 459 A HA 0.810 5.130 4.320 0.000 0.000 0.246 459 A C -1.402 176.114 177.584 -0.113 0.000 0.986 459 A CA -0.779 51.234 52.037 -0.041 0.000 0.616 459 A CB 1.061 19.810 19.000 -0.418 0.000 1.826 459 A HN 0.508 nan 8.150 nan 0.000 0.887 460 M N 0.234 119.706 119.600 -0.214 0.000 2.530 460 M HA 0.683 5.163 4.480 0.000 0.000 0.307 460 M C -1.087 175.102 176.300 -0.186 0.000 1.161 460 M CA -0.366 54.841 55.300 -0.155 0.000 0.903 460 M CB 2.065 34.600 32.600 -0.107 0.000 1.711 460 M HN 0.674 nan 8.290 nan 0.000 0.451 461 E N 1.679 121.785 120.200 -0.157 0.000 2.383 461 E HA 0.783 5.133 4.350 0.000 0.000 0.275 461 E C -1.533 174.956 176.600 -0.186 0.000 0.918 461 E CA -0.588 55.695 56.400 -0.195 0.000 0.764 461 E CB 3.813 33.404 29.700 -0.182 0.000 1.252 461 E HN 0.800 nan 8.360 nan 0.000 0.449 462 I N 0.846 121.287 120.570 -0.215 0.000 2.529 462 I HA 0.178 4.348 4.170 0.000 0.000 0.313 462 I C -1.973 174.017 176.117 -0.211 0.000 2.227 462 I CA -0.555 60.611 61.300 -0.222 0.000 0.966 462 I CB 2.095 39.956 38.000 -0.233 0.000 1.615 462 I HN 0.368 nan 8.210 nan 0.000 0.641 463 N N 1.736 120.308 118.700 -0.213 0.000 2.392 463 N HA 0.617 5.357 4.740 0.000 0.000 0.283 463 N C -0.438 174.972 175.510 -0.166 0.000 1.003 463 N CA -0.391 52.554 53.050 -0.176 0.000 0.892 463 N CB 1.315 39.715 38.487 -0.145 0.000 1.193 463 N HN 0.517 nan 8.380 nan 0.000 0.487 464 L N 1.152 122.283 121.223 -0.154 0.000 2.966 464 L HA 0.493 4.833 4.340 0.000 0.000 0.262 464 L C 0.458 177.247 176.870 -0.134 0.000 1.165 464 L CA -0.189 54.570 54.840 -0.135 0.000 0.978 464 L CB -0.081 41.906 42.059 -0.121 0.000 1.337 464 L HN 0.238 nan 8.230 nan 0.000 0.563 465 N N 0.981 119.569 118.700 -0.187 0.000 2.280 465 N HA 0.218 4.958 4.740 0.000 0.000 0.192 465 N C 1.485 176.798 175.510 -0.328 0.000 1.109 465 N CA 0.656 53.536 53.050 -0.284 0.000 0.855 465 N CB 0.280 38.527 38.487 -0.400 0.000 0.974 465 N HN 0.315 nan 8.380 nan 0.000 0.482 466 A N -0.124 122.630 122.820 -0.110 0.000 2.275 466 A HA 0.205 4.525 4.320 0.000 0.000 0.212 466 A C 1.469 179.155 177.584 0.170 0.000 1.201 466 A CA 0.155 52.317 52.037 0.209 0.000 0.843 466 A CB 0.011 19.097 19.000 0.142 0.000 0.873 466 A HN 0.080 nan 8.150 nan 0.000 0.492 467 N N -0.164 118.559 118.700 0.038 0.000 2.319 467 N HA 0.006 4.746 4.740 0.000 0.000 0.189 467 N C 1.508 177.013 175.510 -0.008 0.000 1.042 467 N CA 0.945 53.965 53.050 -0.050 0.000 0.879 467 N CB -0.528 37.887 38.487 -0.120 0.000 1.052 467 N HN 0.362 nan 8.380 nan 0.000 0.446 468 L N 0.230 121.473 121.223 0.033 0.000 2.265 468 L HA -0.018 4.322 4.340 0.000 0.000 0.215 468 L C 2.082 179.143 176.870 0.318 0.000 1.117 468 L CA 1.125 56.030 54.840 0.109 0.000 0.782 468 L CB -0.165 41.952 42.059 0.097 0.000 0.914 468 L HN 0.314 nan 8.230 nan 0.000 0.441 469 W N -0.119 121.192 121.300 0.019 0.000 2.321 469 W HA -0.258 4.402 4.660 0.000 0.000 0.306 469 W C 2.463 178.994 176.519 0.020 0.000 1.217 469 W CA 0.705 58.057 57.345 0.010 0.000 1.257 469 W CB 0.137 29.562 29.460 -0.059 0.000 1.145 469 W HN 0.046 nan 8.180 nan 0.000 0.509 470 R N 0.044 120.663 120.500 0.198 0.000 2.334 470 R HA 0.023 4.363 4.340 0.000 0.000 0.216 470 R C 1.129 177.512 176.300 0.138 0.000 0.905 470 R CA 0.278 56.428 56.100 0.084 0.000 1.064 470 R CB -0.257 30.044 30.300 0.003 0.000 1.046 470 R HN 0.283 nan 8.270 nan 0.000 0.508 471 N N -0.929 117.842 118.700 0.117 0.000 2.368 471 N HA -0.043 4.697 4.740 0.000 0.000 0.176 471 N C 0.786 176.385 175.510 0.148 0.000 1.021 471 N CA 0.499 53.619 53.050 0.117 0.000 0.888 471 N CB 0.128 38.611 38.487 -0.006 0.000 0.995 471 N HN 0.033 nan 8.380 nan 0.000 0.437 472 F N 0.486 120.487 119.950 0.085 0.000 2.661 472 F HA 0.157 4.684 4.527 0.000 0.000 0.298 472 F C 0.909 176.732 175.800 0.037 0.000 1.137 472 F CA 0.786 58.830 58.000 0.074 0.000 1.454 472 F CB 0.334 39.393 39.000 0.097 0.000 1.103 472 F HN 0.003 nan 8.300 nan 0.000 0.577 473 L N -2.288 119.062 121.223 0.211 0.000 3.016 473 L HA 0.155 4.495 4.340 0.000 0.000 0.267 473 L C -0.173 176.761 176.870 0.107 0.000 1.182 473 L CA -0.186 54.710 54.840 0.093 0.000 0.997 473 L CB -0.052 42.022 42.059 0.024 0.000 1.354 473 L HN -0.081 nan 8.230 nan 0.000 0.569 474 Y N -0.704 119.554 120.300 -0.069 0.000 3.042 474 Y HA 0.218 4.768 4.550 0.000 0.000 0.339 474 Y C 2.128 177.909 175.900 -0.197 0.000 1.299 474 Y CA 0.235 58.263 58.100 -0.120 0.000 1.059 474 Y CB 0.743 39.149 38.460 -0.090 0.000 1.361 474 Y HN -0.157 nan 8.280 nan 0.000 0.755 475 S N 0.339 115.957 115.700 -0.137 0.000 2.508 475 S HA -0.319 4.151 4.470 0.000 0.000 0.276 475 S C 0.969 175.296 174.600 -0.454 0.000 1.154 475 S CA 1.894 59.912 58.200 -0.303 0.000 1.079 475 S CB -0.916 62.142 63.200 -0.236 0.000 0.922 475 S HN 0.644 nan 8.310 nan 0.000 0.469 476 N N -0.308 118.178 118.700 -0.356 0.000 2.285 476 N HA 0.122 4.862 4.740 0.000 0.000 0.278 476 N C 1.551 176.966 175.510 -0.158 0.000 1.289 476 N CA 0.310 53.230 53.050 -0.217 0.000 0.934 476 N CB -0.045 38.423 38.487 -0.031 0.000 1.048 476 N HN 0.157 nan 8.380 nan 0.000 0.499 477 I N 0.828 121.352 120.570 -0.078 0.000 4.420 477 I HA -0.486 3.684 4.170 0.000 0.000 0.103 477 I C 2.124 178.070 176.117 -0.284 0.000 0.689 477 I CA 2.113 63.314 61.300 -0.166 0.000 0.769 477 I CB -1.249 36.741 38.000 -0.016 0.000 0.627 477 I HN 0.780 nan 8.210 nan 0.000 0.250 478 A N 0.319 123.032 122.820 -0.178 0.000 1.295 478 A HA -0.366 3.954 4.320 0.000 0.000 0.372 478 A C 1.834 179.230 177.584 -0.314 0.000 5.011 478 A CA 3.443 55.345 52.037 -0.225 0.000 1.093 478 A CB -2.027 16.815 19.000 -0.262 0.000 1.461 478 A HN 0.671 nan 8.150 nan 0.000 0.720 479 L N -3.539 117.376 121.223 -0.513 0.000 2.027 479 L HA 0.008 4.348 4.340 0.000 0.000 0.206 479 L C 1.816 178.419 176.870 -0.446 0.000 1.074 479 L CA 1.577 56.090 54.840 -0.545 0.000 0.745 479 L CB -0.976 40.669 42.059 -0.689 0.000 0.898 479 L HN 0.513 nan 8.230 nan 0.000 0.433 480 Y N 3.013 123.221 120.300 -0.153 0.000 2.852 480 Y HA 0.364 4.914 4.550 0.000 0.000 0.342 480 Y C -0.150 175.699 175.900 -0.085 0.000 1.128 480 Y CA -0.246 57.782 58.100 -0.121 0.000 2.007 480 Y CB -1.034 37.330 38.460 -0.160 0.000 2.100 480 Y HN 0.122 nan 8.280 nan 0.000 0.405 481 L N 0.734 121.954 121.223 -0.005 0.000 2.518 481 L HA 0.514 4.854 4.340 0.000 0.000 0.257 481 L C -2.348 174.506 176.870 -0.027 0.000 0.980 481 L CA -2.680 52.153 54.840 -0.012 0.000 0.837 481 L CB 1.533 43.566 42.059 -0.043 0.000 1.410 481 L HN 0.041 nan 8.230 nan 0.000 0.410 482 P HA -0.185 nan 4.420 nan 0.000 0.275 482 P C -0.454 176.828 177.300 -0.030 0.000 1.181 482 P CA 0.660 63.747 63.100 -0.020 0.000 0.771 482 P CB 0.538 32.214 31.700 -0.040 0.000 0.762 483 D N -0.412 119.983 120.400 -0.008 0.000 2.479 483 D HA 0.035 4.675 4.640 0.000 0.000 0.216 483 D C 0.921 177.203 176.300 -0.030 0.000 1.110 483 D CA 0.277 54.270 54.000 -0.013 0.000 0.841 483 D CB 0.249 41.079 40.800 0.050 0.000 1.040 483 D HN 0.291 nan 8.370 nan 0.000 0.505 484 K N -0.183 120.211 120.400 -0.010 0.000 2.444 484 K HA 0.185 4.505 4.320 0.000 0.000 0.193 484 K C 0.655 177.239 176.600 -0.027 0.000 1.024 484 K CA 0.524 56.806 56.287 -0.009 0.000 1.077 484 K CB 0.585 33.097 32.500 0.021 0.000 0.833 484 K HN 0.160 nan 8.250 nan 0.000 0.517 485 L N -0.781 120.418 121.223 -0.040 0.000 3.135 485 L HA 0.299 4.639 4.340 0.000 0.000 0.279 485 L C 0.716 177.563 176.870 -0.038 0.000 1.200 485 L CA -0.347 54.472 54.840 -0.035 0.000 1.016 485 L CB 0.042 42.072 42.059 -0.048 0.000 1.391 485 L HN -0.147 nan 8.230 nan 0.000 0.588 486 K N 0.085 120.450 120.400 -0.057 0.000 3.054 486 K HA 0.171 4.491 4.320 0.000 0.000 0.348 486 K C -0.466 176.192 176.600 0.097 0.000 1.024 486 K CA 0.111 56.350 56.287 -0.080 0.000 1.316 486 K CB 0.081 32.519 32.500 -0.104 0.000 1.328 486 K HN -0.007 nan 8.250 nan 0.000 0.534 487 Y N 1.022 121.264 120.300 -0.097 0.000 2.842 487 Y HA 0.126 4.676 4.550 0.000 0.000 0.334 487 Y C -0.137 175.702 175.900 -0.102 0.000 1.019 487 Y CA -0.918 57.136 58.100 -0.077 0.000 1.258 487 Y CB 1.649 40.080 38.460 -0.048 0.000 1.106 487 Y HN 0.363 nan 8.280 nan 0.000 0.545 488 S N 5.973 121.680 115.700 0.012 0.000 2.545 488 S HA 0.368 4.838 4.470 0.000 0.000 0.275 488 S C -2.003 172.553 174.600 -0.073 0.000 1.299 488 S CA -1.250 56.899 58.200 -0.085 0.000 1.048 488 S CB 0.669 63.801 63.200 -0.113 0.000 0.938 488 S HN 0.441 nan 8.310 nan 0.000 0.496 489 P HA 0.372 nan 4.420 nan 0.000 0.286 489 P C -0.554 176.695 177.300 -0.084 0.000 1.293 489 P CA -0.605 62.447 63.100 -0.081 0.000 0.770 489 P CB 0.599 32.266 31.700 -0.054 0.000 1.206 490 S N -0.855 114.783 115.700 -0.103 0.000 2.865 490 S HA 0.222 4.692 4.470 0.000 0.000 0.240 490 S C 0.146 174.681 174.600 -0.108 0.000 0.795 490 S CA -0.447 57.699 58.200 -0.090 0.000 1.073 490 S CB -0.477 62.670 63.200 -0.089 0.000 1.393 490 S HN 0.486 nan 8.310 nan 0.000 0.491 491 N N 0.175 118.812 118.700 -0.105 0.000 3.174 491 N HA 0.137 4.877 4.740 0.000 0.000 0.286 491 N C 0.508 175.978 175.510 -0.067 0.000 1.151 491 N CA 0.235 53.221 53.050 -0.107 0.000 1.386 491 N CB -0.117 38.273 38.487 -0.162 0.000 0.951 491 N HN 0.197 nan 8.380 nan 0.000 1.170 492 V N 2.477 122.356 119.914 -0.059 0.000 3.747 492 V HA 0.054 4.174 4.120 0.000 0.000 0.299 492 V C 0.692 176.777 176.094 -0.015 0.000 1.103 492 V CA -0.228 62.055 62.300 -0.029 0.000 1.154 492 V CB -0.250 31.565 31.823 -0.014 0.000 1.127 492 V HN 0.355 nan 8.190 nan 0.000 0.482 493 K N 1.615 122.014 120.400 -0.001 0.000 2.253 493 K HA 0.643 4.963 4.320 0.000 0.000 0.277 493 K C -0.981 175.631 176.600 0.019 0.000 1.053 493 K CA -0.337 55.955 56.287 0.009 0.000 0.892 493 K CB 1.635 34.141 32.500 0.011 0.000 1.102 493 K HN 0.823 nan 8.250 nan 0.000 0.469 494 I N 1.353 121.941 120.570 0.030 0.000 2.533 494 I HA 0.190 4.360 4.170 0.000 0.000 0.290 494 I C -1.195 174.973 176.117 0.085 0.000 1.056 494 I CA -0.534 60.800 61.300 0.056 0.000 1.057 494 I CB 2.232 40.264 38.000 0.054 0.000 1.240 494 I HN 0.635 nan 8.210 nan 0.000 0.423 495 S N 5.079 120.835 115.700 0.093 0.000 2.411 495 S HA 0.238 4.708 4.470 0.000 0.000 0.294 495 S C -0.794 173.861 174.600 0.093 0.000 1.115 495 S CA -0.555 57.689 58.200 0.074 0.000 1.071 495 S CB 0.493 63.716 63.200 0.040 0.000 0.967 495 S HN 0.556 nan 8.310 nan 0.000 0.488 496 D N 3.550 123.995 120.400 0.075 0.000 2.479 496 D HA 0.097 4.737 4.640 0.000 0.000 0.253 496 D C -0.058 176.010 176.300 -0.388 0.000 1.278 496 D CA 0.627 54.599 54.000 -0.047 0.000 1.145 496 D CB -0.292 40.549 40.800 0.069 0.000 1.118 496 D HN 0.263 nan 8.370 nan 0.000 0.513 497 N N 1.821 120.128 118.700 -0.654 0.000 2.616 497 N HA 0.084 4.824 4.740 0.000 0.000 0.281 497 N C -2.191 173.023 175.510 -0.493 0.000 1.145 497 N CA -1.234 51.526 53.050 -0.484 0.000 0.919 497 N CB 2.181 40.556 38.487 -0.187 0.000 1.509 497 N HN -0.103 nan 8.380 nan 0.000 0.537 498 P HA -0.174 nan 4.420 nan 0.000 0.210 498 P C 0.581 177.910 177.300 0.049 0.000 1.151 498 P CA 1.720 64.775 63.100 -0.076 0.000 0.949 498 P CB 0.178 31.868 31.700 -0.017 0.000 0.786 499 N N -1.779 116.926 118.700 0.009 0.000 2.575 499 N HA -0.060 4.680 4.740 0.000 0.000 0.192 499 N C 1.227 176.770 175.510 0.055 0.000 1.200 499 N CA 0.434 53.503 53.050 0.032 0.000 0.897 499 N CB -0.471 38.003 38.487 -0.022 0.000 0.990 499 N HN 0.197 nan 8.380 nan 0.000 0.449 500 T N -0.172 114.412 114.554 0.050 0.000 3.113 500 T HA -0.157 4.193 4.350 0.000 0.000 0.263 500 T C 0.551 175.366 174.700 0.192 0.000 1.143 500 T CA 0.492 62.634 62.100 0.070 0.000 1.090 500 T CB -0.313 68.568 68.868 0.021 0.000 0.922 500 T HN 0.389 nan 8.240 nan 0.000 0.521 501 Y N 0.542 120.849 120.300 0.013 0.000 2.865 501 Y HA -0.306 4.244 4.550 0.000 0.000 0.480 501 Y C 1.122 177.039 175.900 0.028 0.000 1.252 501 Y CA 1.690 59.795 58.100 0.008 0.000 2.596 501 Y CB -1.511 36.941 38.460 -0.014 0.000 0.917 501 Y HN 0.286 nan 8.280 nan 0.000 0.522 502 D N -0.853 119.596 120.400 0.081 0.000 2.309 502 D HA -0.122 4.518 4.640 0.000 0.000 0.212 502 D C 1.648 178.002 176.300 0.089 0.000 0.968 502 D CA 1.582 55.595 54.000 0.022 0.000 0.882 502 D CB -0.315 40.522 40.800 0.061 0.000 0.918 502 D HN 0.612 nan 8.370 nan 0.000 0.503 503 Y N -0.616 119.668 120.300 -0.028 0.000 2.458 503 Y HA 0.237 4.787 4.550 0.000 0.000 0.256 503 Y C 1.722 177.605 175.900 -0.028 0.000 1.159 503 Y CA 0.104 58.195 58.100 -0.015 0.000 1.261 503 Y CB 0.283 38.749 38.460 0.010 0.000 1.119 503 Y HN -0.125 nan 8.280 nan 0.000 0.524 504 M N -0.660 118.994 119.600 0.089 0.000 2.422 504 M HA -0.014 4.466 4.480 0.000 0.000 0.219 504 M C 1.987 178.199 176.300 -0.146 0.000 1.251 504 M CA 1.401 56.709 55.300 0.013 0.000 1.236 504 M CB -0.632 32.055 32.600 0.145 0.000 1.113 504 M HN 0.215 nan 8.290 nan 0.000 0.478 505 N N 1.144 119.598 118.700 -0.410 0.000 2.060 505 N HA -0.205 4.535 4.740 0.000 0.000 0.195 505 N C 1.418 176.784 175.510 -0.240 0.000 1.028 505 N CA 1.338 54.130 53.050 -0.431 0.000 0.861 505 N CB -0.446 37.579 38.487 -0.770 0.000 1.029 505 N HN 0.333 nan 8.380 nan 0.000 0.428 506 K N 1.132 121.412 120.400 -0.199 0.000 1.969 506 K HA -0.048 4.272 4.320 0.000 0.000 0.220 506 K C 0.627 177.249 176.600 0.038 0.000 1.040 506 K CA 0.550 56.839 56.287 0.003 0.000 0.981 506 K CB -0.479 32.014 32.500 -0.012 0.000 0.746 506 K HN 0.112 nan 8.250 nan 0.000 0.444 507 R N 1.629 122.118 120.500 -0.019 0.000 2.560 507 R HA -0.067 4.273 4.340 0.000 0.000 0.296 507 R C -0.183 176.090 176.300 -0.044 0.000 0.873 507 R CA 0.338 56.424 56.100 -0.024 0.000 1.140 507 R CB -0.134 30.076 30.300 -0.150 0.000 0.875 507 R HN 0.253 nan 8.270 nan 0.000 0.419 508 V N 2.411 122.291 119.914 -0.056 0.000 3.147 508 V HA 0.440 4.560 4.120 0.000 0.000 0.299 508 V C -0.744 174.987 176.094 -0.605 0.000 1.302 508 V CA -0.881 61.258 62.300 -0.268 0.000 1.015 508 V CB 2.219 33.883 31.823 -0.265 0.000 1.086 508 V HN 0.470 nan 8.190 nan 0.000 0.437 509 V N 3.853 123.453 119.914 -0.523 0.000 4.735 509 V HA 0.968 5.088 4.120 0.000 0.000 0.274 509 V C 0.729 176.452 176.094 -0.618 0.000 1.331 509 V CA 0.225 62.189 62.300 -0.561 0.000 0.760 509 V CB 1.876 33.551 31.823 -0.246 0.000 1.280 509 V HN 1.694 nan 8.190 nan 0.000 0.416 510 A N 1.016 123.638 122.820 -0.331 0.000 2.337 510 A HA 0.771 5.091 4.320 0.000 0.000 0.329 510 A C -2.249 175.251 177.584 -0.139 0.000 1.146 510 A CA -1.433 50.468 52.037 -0.228 0.000 0.800 510 A CB 1.175 20.082 19.000 -0.154 0.000 1.220 510 A HN 0.638 nan 8.150 nan 0.000 0.472 511 P HA 0.111 nan 4.420 nan 0.000 0.253 511 P C 0.600 177.910 177.300 0.018 0.000 1.508 511 P CA 0.413 63.488 63.100 -0.041 0.000 0.883 511 P CB -0.107 31.581 31.700 -0.020 0.000 1.519 512 G N -0.029 108.797 108.800 0.042 0.000 3.709 512 G HA2 0.381 4.341 3.960 0.000 0.000 0.272 512 G HA3 0.381 4.341 3.960 0.000 0.000 0.272 512 G C 0.372 175.500 174.900 0.380 0.000 1.259 512 G CA -0.044 45.159 45.100 0.171 0.000 1.512 512 G HN 0.243 nan 8.290 nan 0.000 0.625 513 L N -1.452 119.894 121.223 0.205 0.000 3.003 513 L HA 0.085 4.425 4.340 0.000 0.000 0.335 513 L C 1.182 178.055 176.870 0.006 0.000 1.038 513 L CA 0.056 55.036 54.840 0.233 0.000 1.555 513 L CB 0.357 42.585 42.059 0.281 0.000 2.586 513 L HN -0.062 nan 8.230 nan 0.000 0.563 514 V N 2.558 122.455 119.914 -0.027 0.000 2.506 514 V HA -0.047 4.073 4.120 0.000 0.000 0.313 514 V C 0.591 176.582 176.094 -0.173 0.000 1.716 514 V CA 0.977 63.230 62.300 -0.078 0.000 1.690 514 V CB -1.249 30.546 31.823 -0.047 0.000 1.389 514 V HN 0.292 nan 8.190 nan 0.000 0.483 515 D N 0.251 120.437 120.400 -0.358 0.000 2.350 515 D HA 0.253 4.893 4.640 0.000 0.000 0.272 515 D C 0.699 176.623 176.300 -0.627 0.000 1.204 515 D CA 0.237 53.845 54.000 -0.653 0.000 1.124 515 D CB 1.986 41.821 40.800 -1.609 0.000 1.189 515 D HN 0.394 nan 8.370 nan 0.000 0.556 516 C N -0.300 118.493 119.300 -0.845 0.000 3.981 516 C HA 0.235 4.695 4.460 0.000 0.000 0.306 516 C C 0.583 175.260 174.990 -0.522 0.000 2.005 516 C CA -0.683 57.859 59.018 -0.793 0.000 1.655 516 C CB -1.467 25.445 27.740 -1.380 0.000 3.164 516 C HN 0.537 nan 8.230 nan 0.000 0.554 517 Y N -0.051 120.091 120.300 -0.264 0.000 2.485 517 Y HA 0.550 5.100 4.550 0.000 0.000 0.260 517 Y C 1.387 177.177 175.900 -0.184 0.000 1.173 517 Y CA -1.626 56.364 58.100 -0.183 0.000 1.252 517 Y CB -1.013 37.360 38.460 -0.146 0.000 1.123 517 Y HN 0.262 nan 8.280 nan 0.000 0.524 518 I N 0.867 121.543 120.570 0.176 0.000 2.716 518 I HA 0.100 4.270 4.170 0.000 0.000 0.259 518 I C 0.758 176.841 176.117 -0.057 0.000 1.172 518 I CA 1.225 62.572 61.300 0.079 0.000 1.478 518 I CB 0.189 38.223 38.000 0.057 0.000 1.104 518 I HN 0.397 nan 8.210 nan 0.000 0.439 519 N N 0.240 118.883 118.700 -0.095 0.000 2.471 519 N HA 0.069 4.809 4.740 0.000 0.000 0.264 519 N C -0.895 174.551 175.510 -0.106 0.000 1.493 519 N CA -0.327 52.642 53.050 -0.136 0.000 0.932 519 N CB 0.322 38.685 38.487 -0.205 0.000 1.405 519 N HN 0.027 nan 8.380 nan 0.000 0.505 520 L N 1.247 122.414 121.223 -0.093 0.000 2.600 520 L HA 0.296 4.636 4.340 0.000 0.000 0.278 520 L C 1.130 177.990 176.870 -0.018 0.000 1.139 520 L CA 1.254 56.050 54.840 -0.074 0.000 0.933 520 L CB 0.076 42.123 42.059 -0.021 0.000 1.266 520 L HN 0.435 nan 8.230 nan 0.000 0.471 521 G N 3.009 111.800 108.800 -0.015 0.000 2.240 521 G HA2 0.260 4.220 3.960 0.000 0.000 0.181 521 G HA3 0.260 4.220 3.960 0.000 0.000 0.181 521 G C -0.163 174.740 174.900 0.005 0.000 1.028 521 G CA -0.233 44.871 45.100 0.007 0.000 0.760 521 G HN 1.076 nan 8.290 nan 0.000 0.508 522 A N -0.163 122.660 122.820 0.004 0.000 2.509 522 A HA 0.740 5.060 4.320 0.000 0.000 0.282 522 A C 0.529 178.158 177.584 0.074 0.000 1.054 522 A CA 0.081 52.148 52.037 0.050 0.000 0.820 522 A CB 0.727 19.750 19.000 0.039 0.000 1.333 522 A HN 0.304 nan 8.150 nan 0.000 0.409 523 R N 1.775 122.307 120.500 0.054 0.000 2.417 523 R HA -0.109 4.231 4.340 0.000 0.000 0.220 523 R C 0.788 177.117 176.300 0.049 0.000 1.128 523 R CA 0.536 56.639 56.100 0.006 0.000 1.048 523 R CB 0.036 30.329 30.300 -0.013 0.000 0.835 523 R HN 0.778 nan 8.270 nan 0.000 0.483 524 W N 1.639 122.881 121.300 -0.097 0.000 2.571 524 W HA -0.128 4.532 4.660 0.000 0.000 0.334 524 W C -0.471 175.977 176.519 -0.118 0.000 1.141 524 W CA 0.922 58.208 57.345 -0.098 0.000 1.299 524 W CB 0.183 29.594 29.460 -0.082 0.000 1.154 524 W HN 0.018 nan 8.180 nan 0.000 0.563 525 S N 7.700 123.093 115.700 -0.512 0.000 2.252 525 S HA 0.416 4.886 4.470 0.000 0.000 0.187 525 S C -0.152 174.084 174.600 -0.606 0.000 1.587 525 S CA -0.609 57.377 58.200 -0.356 0.000 1.215 525 S CB -0.506 62.523 63.200 -0.286 0.000 1.085 525 S HN 0.748 nan 8.310 nan 0.000 0.466 526 L N 0.650 121.748 121.223 -0.207 0.000 4.648 526 L HA -0.192 4.148 4.340 0.000 0.000 0.582 526 L C 0.889 177.493 176.870 -0.444 0.000 0.997 526 L CA 0.515 55.409 54.840 0.089 0.000 0.508 526 L CB -0.911 41.264 42.059 0.193 0.000 0.349 526 L HN 0.686 nan 8.230 nan 0.000 1.156 527 D N 2.284 122.339 120.400 -0.575 0.000 2.411 527 D HA -0.198 4.442 4.640 0.000 0.000 0.226 527 D C 1.019 177.081 176.300 -0.396 0.000 0.988 527 D CA 1.532 55.154 54.000 -0.630 0.000 0.938 527 D CB -0.298 40.247 40.800 -0.425 0.000 0.883 527 D HN 0.871 nan 8.370 nan 0.000 0.525 528 Y N -0.650 119.608 120.300 -0.069 0.000 2.467 528 Y HA 0.245 4.795 4.550 0.000 0.000 0.250 528 Y C 2.112 177.983 175.900 -0.048 0.000 1.155 528 Y CA -0.404 57.675 58.100 -0.035 0.000 1.249 528 Y CB -0.043 38.427 38.460 0.016 0.000 1.146 528 Y HN -0.039 nan 8.280 nan 0.000 0.524 529 M N 0.405 120.016 119.600 0.019 0.000 2.486 529 M HA 0.130 4.610 4.480 0.000 0.000 0.264 529 M C 0.802 177.078 176.300 -0.039 0.000 1.125 529 M CA 1.394 56.691 55.300 -0.005 0.000 1.144 529 M CB -0.265 32.302 32.600 -0.056 0.000 1.353 529 M HN -0.056 nan 8.290 nan 0.000 0.466 530 D N 1.514 121.810 120.400 -0.174 0.000 2.149 530 D HA -0.185 4.455 4.640 0.000 0.000 0.194 530 D C 0.652 176.996 176.300 0.073 0.000 1.001 530 D CA 1.566 55.422 54.000 -0.239 0.000 0.849 530 D CB -0.386 40.002 40.800 -0.688 0.000 0.939 530 D HN 0.617 nan 8.370 nan 0.000 0.449 531 N N 0.054 118.805 118.700 0.086 0.000 2.410 531 N HA 0.051 4.791 4.740 0.000 0.000 0.231 531 N C -0.594 175.035 175.510 0.198 0.000 1.172 531 N CA -0.080 53.077 53.050 0.178 0.000 0.849 531 N CB 1.313 39.864 38.487 0.106 0.000 1.116 531 N HN 0.018 nan 8.380 nan 0.000 0.485 532 V N 0.692 120.774 119.914 0.281 0.000 3.040 532 V HA 0.162 4.282 4.120 0.000 0.000 0.312 532 V C -0.444 175.733 176.094 0.139 0.000 1.115 532 V CA -0.931 61.510 62.300 0.236 0.000 0.998 532 V CB 2.645 34.528 31.823 0.100 0.000 1.042 532 V HN 0.122 nan 8.190 nan 0.000 0.433 533 N N 4.388 123.093 118.700 0.009 0.000 2.421 533 N HA 0.252 4.992 4.740 0.000 0.000 0.260 533 N C -2.128 173.180 175.510 -0.336 0.000 1.173 533 N CA -0.842 52.029 53.050 -0.298 0.000 0.960 533 N CB 0.959 39.411 38.487 -0.058 0.000 1.273 533 N HN 0.440 nan 8.380 nan 0.000 0.497 534 P HA 0.117 nan 4.420 nan 0.000 0.267 534 P C -0.502 176.503 177.300 -0.490 0.000 1.289 534 P CA 0.251 63.149 63.100 -0.336 0.000 0.866 534 P CB 0.258 31.696 31.700 -0.436 0.000 1.309 535 F N 0.207 119.992 119.950 -0.275 0.000 2.798 535 F HA 0.433 4.960 4.527 0.000 0.000 0.333 535 F C 1.220 176.935 175.800 -0.141 0.000 1.324 535 F CA -0.221 57.688 58.000 -0.151 0.000 1.183 535 F CB 0.075 38.961 39.000 -0.190 0.000 1.132 535 F HN -0.141 nan 8.300 nan 0.000 0.521 536 N N -1.334 117.318 118.700 -0.081 0.000 2.011 536 N HA -0.071 4.669 4.740 0.000 0.000 0.254 536 N C 0.846 176.185 175.510 -0.285 0.000 1.205 536 N CA 0.223 53.177 53.050 -0.161 0.000 0.783 536 N CB 0.061 38.372 38.487 -0.293 0.000 1.472 536 N HN 0.182 nan 8.380 nan 0.000 0.524 537 H N 0.628 119.430 119.070 -0.446 0.000 2.457 537 H HA -0.168 4.388 4.556 0.000 0.000 0.408 537 H C 0.430 175.578 175.328 -0.301 0.000 2.235 537 H CA 1.969 57.781 56.048 -0.394 0.000 1.383 537 H CB 0.312 29.922 29.762 -0.253 0.000 1.509 537 H HN 0.346 nan 8.280 nan 0.000 0.465 538 H N -0.548 118.744 119.070 0.371 0.000 2.874 538 H HA 0.271 4.827 4.556 0.000 0.000 0.264 538 H C 1.164 176.398 175.328 -0.156 0.000 1.007 538 H CA 0.008 55.973 56.048 -0.139 0.000 1.207 538 H CB 0.542 30.315 29.762 0.018 0.000 1.487 538 H HN 0.223 nan 8.280 nan 0.000 0.505 539 R N 0.961 121.447 120.500 -0.023 0.000 2.696 539 R HA 0.116 4.456 4.340 0.000 0.000 0.355 539 R C -0.467 175.838 176.300 0.008 0.000 1.138 539 R CA -0.254 55.828 56.100 -0.029 0.000 1.059 539 R CB -0.259 30.025 30.300 -0.027 0.000 1.380 539 R HN 0.172 nan 8.270 nan 0.000 0.578 540 N N 1.428 120.183 118.700 0.091 0.000 2.380 540 N HA -0.063 4.677 4.740 0.000 0.000 0.292 540 N C 1.069 176.640 175.510 0.102 0.000 1.302 540 N CA 0.047 53.180 53.050 0.139 0.000 1.007 540 N CB 0.774 39.466 38.487 0.341 0.000 1.408 540 N HN 0.231 nan 8.380 nan 0.000 0.487 541 A N 2.085 124.907 122.820 0.004 0.000 2.255 541 A HA -0.120 4.200 4.320 0.000 0.000 0.218 541 A C 1.681 179.222 177.584 -0.071 0.000 1.175 541 A CA 1.792 53.821 52.037 -0.014 0.000 0.682 541 A CB -0.223 18.753 19.000 -0.040 0.000 0.784 541 A HN 0.623 nan 8.150 nan 0.000 0.482 542 G N -2.526 106.241 108.800 -0.055 0.000 2.958 542 G HA2 0.289 4.249 3.960 0.000 0.000 0.225 542 G HA3 0.289 4.249 3.960 0.000 0.000 0.225 542 G C 0.906 175.773 174.900 -0.055 0.000 1.036 542 G CA 0.417 45.450 45.100 -0.111 0.000 0.880 542 G HN 0.259 nan 8.290 nan 0.000 0.557 543 L N 1.928 123.121 121.223 -0.049 0.000 2.341 543 L HA 0.261 4.601 4.340 0.000 0.000 0.214 543 L C 2.302 178.913 176.870 -0.431 0.000 1.115 543 L CA 0.683 55.395 54.840 -0.214 0.000 0.820 543 L CB -0.319 41.624 42.059 -0.194 0.000 0.944 543 L HN 0.286 nan 8.230 nan 0.000 0.452 544 R N -2.164 118.196 120.500 -0.234 0.000 2.541 544 R HA -0.037 4.303 4.340 0.000 0.000 0.245 544 R C 0.208 176.533 176.300 0.042 0.000 1.154 544 R CA 0.267 56.276 56.100 -0.152 0.000 1.179 544 R CB -0.371 29.973 30.300 0.073 0.000 1.189 544 R HN 0.227 nan 8.270 nan 0.000 0.526 545 Y N 1.466 121.642 120.300 -0.207 0.000 3.213 545 Y HA 0.101 4.651 4.550 0.000 0.000 0.168 545 Y C 1.375 177.182 175.900 -0.156 0.000 0.880 545 Y CA -0.031 57.968 58.100 -0.168 0.000 1.806 545 Y CB -0.120 38.253 38.460 -0.144 0.000 1.369 545 Y HN 0.005 nan 8.280 nan 0.000 0.377 546 R N 0.446 120.978 120.500 0.054 0.000 2.425 546 R HA 0.013 4.353 4.340 0.000 0.000 0.206 546 R C 0.505 176.778 176.300 -0.045 0.000 1.117 546 R CA 1.264 57.339 56.100 -0.041 0.000 1.098 546 R CB -1.292 28.982 30.300 -0.043 0.000 0.843 546 R HN 0.157 nan 8.270 nan 0.000 0.480 547 S N -1.175 114.490 115.700 -0.060 0.000 2.632 547 S HA 0.247 4.717 4.470 0.000 0.000 0.237 547 S C 1.108 175.710 174.600 0.004 0.000 1.037 547 S CA -0.415 57.773 58.200 -0.021 0.000 1.009 547 S CB 0.248 63.382 63.200 -0.110 0.000 0.974 547 S HN 0.194 nan 8.310 nan 0.000 0.544 548 M N 1.241 120.809 119.600 -0.052 0.000 2.333 548 M HA 0.388 4.867 4.480 0.000 0.000 0.257 548 M C 1.374 177.628 176.300 -0.077 0.000 1.078 548 M CA 0.117 55.386 55.300 -0.052 0.000 1.005 548 M CB 0.285 32.829 32.600 -0.094 0.000 1.444 548 M HN 0.375 nan 8.290 nan 0.000 0.496 549 L N -1.578 119.594 121.223 -0.085 0.000 2.354 549 L HA 0.249 4.589 4.340 0.000 0.000 0.212 549 L C 1.220 178.069 176.870 -0.035 0.000 1.091 549 L CA 1.098 55.883 54.840 -0.092 0.000 0.828 549 L CB -0.049 41.934 42.059 -0.127 0.000 0.973 549 L HN 0.143 nan 8.230 nan 0.000 0.461 550 L N 0.017 121.240 121.223 -0.002 0.000 2.157 550 L HA 0.542 4.882 4.340 0.000 0.000 0.201 550 L C 1.287 178.180 176.870 0.038 0.000 1.221 550 L CA 0.468 55.329 54.840 0.034 0.000 0.915 550 L CB -1.054 41.042 42.059 0.062 0.000 1.013 550 L HN 0.295 nan 8.230 nan 0.000 0.522 551 G N -1.685 107.156 108.800 0.069 0.000 2.788 551 G HA2 0.335 4.295 3.960 0.000 0.000 0.293 551 G HA3 0.335 4.295 3.960 0.000 0.000 0.293 551 G C -1.308 173.706 174.900 0.189 0.000 1.392 551 G CA -0.424 44.721 45.100 0.075 0.000 0.810 551 G HN 0.163 nan 8.290 nan 0.000 0.508 552 N N -0.821 117.993 118.700 0.190 0.000 2.497 552 N HA 0.464 5.204 4.740 0.000 0.000 0.284 552 N C 0.597 176.298 175.510 0.318 0.000 1.459 552 N CA 0.533 53.792 53.050 0.349 0.000 0.899 552 N CB 1.297 39.938 38.487 0.257 0.000 1.316 552 N HN 0.725 nan 8.380 nan 0.000 0.500 553 G N -0.316 108.529 108.800 0.076 0.000 3.226 553 G HA2 0.205 4.165 3.960 0.000 0.000 0.175 553 G HA3 0.205 4.165 3.960 0.000 0.000 0.175 553 G C 0.126 174.769 174.900 -0.430 0.000 1.509 553 G CA -0.175 44.900 45.100 -0.041 0.000 1.046 553 G HN 0.155 nan 8.290 nan 0.000 0.768 554 R N -1.740 118.522 120.500 -0.398 0.000 2.437 554 R HA 0.007 4.347 4.340 0.000 0.000 0.065 554 R C -1.419 174.827 176.300 -0.089 0.000 0.509 554 R CA -0.123 55.756 56.100 -0.368 0.000 0.776 554 R CB -0.139 30.056 30.300 -0.174 0.000 0.955 554 R HN 0.416 nan 8.270 nan 0.000 0.554 555 Y N 0.793 120.995 120.300 -0.163 0.000 2.712 555 Y HA 0.375 4.925 4.550 0.000 0.000 0.287 555 Y C -0.869 174.974 175.900 -0.095 0.000 0.944 555 Y CA -0.914 57.128 58.100 -0.098 0.000 1.122 555 Y CB 0.987 39.411 38.460 -0.059 0.000 1.182 555 Y HN -0.107 nan 8.280 nan 0.000 0.632 556 V N 3.701 123.624 119.914 0.016 0.000 2.483 556 V HA 0.489 4.609 4.120 0.000 0.000 0.295 556 V C -1.784 174.254 176.094 -0.092 0.000 1.035 556 V CA -1.679 60.593 62.300 -0.047 0.000 0.896 556 V CB 1.550 33.356 31.823 -0.028 0.000 0.986 556 V HN 0.165 nan 8.190 nan 0.000 0.447 557 P HA 0.436 nan 4.420 nan 0.000 0.323 557 P C -0.853 176.324 177.300 -0.205 0.000 1.319 557 P CA 0.243 63.127 63.100 -0.359 0.000 0.741 557 P CB 0.551 32.071 31.700 -0.301 0.000 1.545 558 F N -4.720 115.231 119.950 0.002 0.000 3.630 558 F HA 0.674 5.201 4.527 0.000 0.000 0.329 558 F C -1.090 174.768 175.800 0.096 0.000 1.149 558 F CA -0.996 57.021 58.000 0.028 0.000 0.876 558 F CB 0.053 39.051 39.000 -0.004 0.000 1.619 558 F HN 0.403 nan 8.300 nan 0.000 0.515 559 H N 0.950 120.236 119.070 0.361 0.000 5.381 559 H HA 0.409 4.965 4.556 0.000 0.000 0.787 559 H C -1.035 174.297 175.328 0.006 0.000 1.983 559 H CA -0.823 55.316 56.048 0.151 0.000 1.552 559 H CB 0.054 29.892 29.762 0.127 0.000 3.941 559 H HN 0.994 nan 8.280 nan 0.000 0.557 560 I N 1.627 121.998 120.570 -0.333 0.000 3.233 560 I HA 0.435 4.605 4.170 0.000 0.000 0.231 560 I C -0.204 175.542 176.117 -0.619 0.000 1.255 560 I CA -0.020 60.946 61.300 -0.557 0.000 0.809 560 I CB 0.517 38.096 38.000 -0.703 0.000 1.688 560 I HN 0.680 nan 8.210 nan 0.000 0.910 561 Q N 0.501 119.738 119.800 -0.939 0.000 3.105 561 Q HA 0.294 4.634 4.340 0.000 0.000 0.214 561 Q C -1.649 174.018 176.000 -0.555 0.000 0.633 561 Q CA -0.141 55.341 55.803 -0.535 0.000 1.016 561 Q CB 0.845 29.425 28.738 -0.262 0.000 1.510 561 Q HN 0.535 nan 8.270 nan 0.000 0.353 562 V N 2.350 121.871 119.914 -0.655 0.000 2.555 562 V HA 0.286 4.406 4.120 0.000 0.000 0.286 562 V C -1.732 173.831 176.094 -0.886 0.000 1.044 562 V CA -0.881 61.031 62.300 -0.645 0.000 1.026 562 V CB 0.497 32.050 31.823 -0.450 0.000 0.981 562 V HN 0.286 nan 8.190 nan 0.000 0.480 563 P HA 0.305 nan 4.420 nan 0.000 0.345 563 P C -0.910 175.956 177.300 -0.724 0.000 1.344 563 P CA -0.459 62.141 63.100 -0.833 0.000 0.803 563 P CB 0.673 31.821 31.700 -0.920 0.000 1.876 564 Q N -0.687 118.836 119.800 -0.462 0.000 2.315 564 Q HA 0.268 4.608 4.340 0.000 0.000 0.273 564 Q C -0.797 175.055 176.000 -0.246 0.000 1.053 564 Q CA -0.429 55.232 55.803 -0.237 0.000 0.817 564 Q CB 2.129 30.834 28.738 -0.055 0.000 1.326 564 Q HN 0.388 nan 8.270 nan 0.000 0.423 565 K N 2.000 122.285 120.400 -0.191 0.000 3.239 565 K HA 0.232 4.552 4.320 0.000 0.000 0.204 565 K C -0.433 176.176 176.600 0.015 0.000 1.126 565 K CA -0.485 55.640 56.287 -0.270 0.000 0.948 565 K CB 0.354 32.414 32.500 -0.734 0.000 0.818 565 K HN 0.263 nan 8.250 nan 0.000 0.480 566 F N 3.254 123.194 119.950 -0.017 0.000 2.375 566 F HA 0.163 4.690 4.527 0.000 0.000 0.362 566 F C 1.119 176.878 175.800 -0.068 0.000 1.129 566 F CA -2.491 55.533 58.000 0.041 0.000 1.154 566 F CB 0.075 39.090 39.000 0.025 0.000 1.205 566 F HN 0.232 nan 8.300 nan 0.000 0.513 567 F N 4.318 124.097 119.950 -0.284 0.000 2.158 567 F HA -0.288 4.239 4.527 0.000 0.000 0.299 567 F C 1.708 177.145 175.800 -0.606 0.000 1.060 567 F CA 1.455 59.232 58.000 -0.372 0.000 1.284 567 F CB -1.603 37.244 39.000 -0.254 0.000 1.035 567 F HN 0.365 nan 8.300 nan 0.000 0.496 568 A N 2.149 123.866 122.820 -1.839 0.000 1.827 568 A HA -0.104 4.216 4.320 0.000 0.000 0.215 568 A C 2.164 179.108 177.584 -1.067 0.000 1.212 568 A CA 2.787 53.903 52.037 -1.534 0.000 0.624 568 A CB -1.415 16.512 19.000 -1.788 0.000 0.853 568 A HN 0.659 nan 8.150 nan 0.000 0.450 569 I N -2.565 117.599 120.570 -0.678 0.000 2.617 569 I HA 0.044 4.214 4.170 0.000 0.000 0.256 569 I C 1.768 177.616 176.117 -0.447 0.000 1.167 569 I CA 1.508 62.533 61.300 -0.458 0.000 1.469 569 I CB -0.748 37.151 38.000 -0.169 0.000 1.098 569 I HN 0.252 nan 8.210 nan 0.000 0.436 570 K N 1.004 121.173 120.400 -0.385 0.000 2.192 570 K HA -0.321 3.999 4.320 0.000 0.000 0.214 570 K C 1.251 177.722 176.600 -0.215 0.000 1.046 570 K CA 2.690 58.835 56.287 -0.237 0.000 0.937 570 K CB -0.331 32.055 32.500 -0.191 0.000 0.734 570 K HN 0.577 nan 8.250 nan 0.000 0.473 571 N N -0.989 117.473 118.700 -0.398 0.000 2.397 571 N HA -0.005 4.735 4.740 0.000 0.000 0.190 571 N C -0.225 175.293 175.510 0.013 0.000 1.099 571 N CA -0.108 52.866 53.050 -0.126 0.000 0.876 571 N CB 0.211 38.779 38.487 0.136 0.000 1.143 571 N HN -0.024 nan 8.380 nan 0.000 0.468 572 L N 3.345 124.498 121.223 -0.116 0.000 2.400 572 L HA 0.185 4.525 4.340 0.000 0.000 0.262 572 L C 0.323 177.215 176.870 0.037 0.000 1.309 572 L CA -0.102 54.831 54.840 0.154 0.000 1.186 572 L CB -1.736 40.480 42.059 0.262 0.000 1.375 572 L HN 0.054 nan 8.230 nan 0.000 0.433 573 L N 3.469 124.714 121.223 0.036 0.000 2.156 573 L HA -0.210 4.130 4.340 0.000 0.000 0.248 573 L C 1.109 177.968 176.870 -0.018 0.000 1.108 573 L CA 2.477 57.313 54.840 -0.006 0.000 0.842 573 L CB -1.262 40.791 42.059 -0.011 0.000 0.950 573 L HN 0.625 nan 8.230 nan 0.000 0.441 574 L N -4.786 116.434 121.223 -0.005 0.000 3.124 574 L HA 0.566 4.906 4.340 0.000 0.000 0.301 574 L C -2.104 174.782 176.870 0.026 0.000 0.868 574 L CA -0.489 54.355 54.840 0.006 0.000 1.080 574 L CB 0.609 42.653 42.059 -0.025 0.000 1.686 574 L HN 0.123 nan 8.230 nan 0.000 0.364 575 L N 0.311 121.574 121.223 0.066 0.000 2.794 575 L HA 0.677 5.017 4.340 0.000 0.000 0.261 575 L C -2.589 174.376 176.870 0.158 0.000 0.989 575 L CA -1.313 53.580 54.840 0.088 0.000 0.900 575 L CB 2.493 44.597 42.059 0.076 0.000 1.473 575 L HN 0.552 nan 8.230 nan 0.000 0.414 576 P HA 0.299 nan 4.420 nan 0.000 0.268 576 P C -0.414 176.928 177.300 0.070 0.000 1.189 576 P CA 0.511 63.686 63.100 0.125 0.000 0.771 576 P CB 0.447 32.186 31.700 0.065 0.000 0.822 577 G N -0.546 108.208 108.800 -0.078 0.000 2.404 577 G HA2 0.393 4.353 3.960 0.000 0.000 0.253 577 G HA3 0.393 4.353 3.960 0.000 0.000 0.253 577 G C -1.500 173.040 174.900 -0.600 0.000 1.253 577 G CA -0.186 44.680 45.100 -0.390 0.000 0.917 577 G HN 0.526 nan 8.290 nan 0.000 0.480 578 S N -0.190 114.978 115.700 -0.886 0.000 2.737 578 S HA 0.743 5.213 4.470 0.000 0.000 0.269 578 S C -1.229 173.063 174.600 -0.514 0.000 1.150 578 S CA -0.635 57.240 58.200 -0.540 0.000 1.077 578 S CB -0.004 63.061 63.200 -0.224 0.000 1.075 578 S HN 0.868 nan 8.310 nan 0.000 0.476 579 Y N 1.070 121.388 120.300 0.029 0.000 2.944 579 Y HA 0.837 5.387 4.550 0.000 0.000 0.312 579 Y C 0.751 176.672 175.900 0.035 0.000 1.417 579 Y CA -1.087 57.031 58.100 0.030 0.000 1.105 579 Y CB 0.051 38.534 38.460 0.038 0.000 1.364 579 Y HN 0.418 nan 8.280 nan 0.000 0.540 580 T N -2.055 112.650 114.554 0.251 0.000 2.626 580 T HA 0.641 4.991 4.350 0.000 0.000 0.279 580 T C -1.816 173.007 174.700 0.205 0.000 0.983 580 T CA -0.764 61.431 62.100 0.158 0.000 1.059 580 T CB 1.976 70.890 68.868 0.076 0.000 1.396 580 T HN 0.691 nan 8.240 nan 0.000 0.519 581 Y N -1.011 119.281 120.300 -0.013 0.000 2.956 581 Y HA 0.525 5.075 4.550 0.000 0.000 0.377 581 Y C -0.869 175.006 175.900 -0.042 0.000 1.403 581 Y CA -0.514 57.560 58.100 -0.043 0.000 1.107 581 Y CB 0.674 39.094 38.460 -0.067 0.000 2.822 581 Y HN 0.891 nan 8.280 nan 0.000 0.363 582 E N -0.853 119.317 120.200 -0.049 0.000 0.797 582 E HA 0.191 4.541 4.350 0.000 0.000 0.147 582 E C -1.963 174.737 176.600 0.168 0.000 2.388 582 E CA -0.020 56.377 56.400 -0.006 0.000 1.405 582 E CB 0.877 30.426 29.700 -0.253 0.000 0.888 582 E HN 0.560 nan 8.360 nan 0.000 0.846 583 W N 0.777 121.963 121.300 -0.190 0.000 3.078 583 W HA -0.113 4.547 4.660 0.000 0.000 0.466 583 W C -1.380 174.905 176.519 -0.390 0.000 1.853 583 W CA 0.705 57.917 57.345 -0.222 0.000 0.459 583 W CB -1.434 27.922 29.460 -0.172 0.000 2.859 583 W HN 0.681 nan 8.180 nan 0.000 0.416 584 N N 2.008 120.745 118.700 0.062 0.000 2.381 584 N HA 0.880 5.620 4.740 0.000 0.000 0.294 584 N C -1.023 174.299 175.510 -0.313 0.000 1.216 584 N CA -1.016 51.882 53.050 -0.253 0.000 0.803 584 N CB 1.175 39.692 38.487 0.049 0.000 1.372 584 N HN 0.001 nan 8.380 nan 0.000 0.500 585 F N -0.343 119.772 119.950 0.275 0.000 2.310 585 F HA 0.432 4.959 4.527 0.000 0.000 0.365 585 F C 1.026 176.934 175.800 0.180 0.000 1.080 585 F CA -1.062 57.033 58.000 0.158 0.000 1.187 585 F CB 0.400 39.477 39.000 0.129 0.000 1.465 585 F HN 0.352 nan 8.300 nan 0.000 0.496 586 R N 2.824 123.431 120.500 0.178 0.000 2.705 586 R HA -0.017 4.323 4.340 0.000 0.000 0.264 586 R C 0.371 176.821 176.300 0.250 0.000 0.988 586 R CA 0.515 56.699 56.100 0.139 0.000 1.103 586 R CB 0.600 30.934 30.300 0.056 0.000 0.950 586 R HN 0.732 nan 8.270 nan 0.000 0.427 587 K N 1.257 121.831 120.400 0.290 0.000 2.564 587 K HA 0.118 4.438 4.320 0.000 0.000 0.205 587 K C -0.715 176.068 176.600 0.305 0.000 1.053 587 K CA -0.452 56.003 56.287 0.280 0.000 1.072 587 K CB 0.579 33.219 32.500 0.233 0.000 0.822 587 K HN 0.388 nan 8.250 nan 0.000 0.497 588 D N 1.801 122.412 120.400 0.350 0.000 2.349 588 D HA 0.005 4.645 4.640 0.000 0.000 0.266 588 D C 1.345 177.774 176.300 0.215 0.000 1.293 588 D CA -0.078 54.108 54.000 0.309 0.000 0.926 588 D CB 1.060 42.015 40.800 0.258 0.000 1.090 588 D HN -0.124 nan 8.370 nan 0.000 0.502 589 V N 4.273 124.308 119.914 0.202 0.000 2.278 589 V HA -0.326 3.794 4.120 0.000 0.000 0.251 589 V C 1.939 178.153 176.094 0.201 0.000 1.062 589 V CA 1.679 64.092 62.300 0.188 0.000 1.038 589 V CB -0.501 31.416 31.823 0.156 0.000 0.646 589 V HN 0.640 nan 8.190 nan 0.000 0.447 590 N N 0.185 119.008 118.700 0.206 0.000 2.512 590 N HA -0.008 4.732 4.740 0.000 0.000 0.183 590 N C 0.811 176.537 175.510 0.360 0.000 1.073 590 N CA 0.848 54.106 53.050 0.346 0.000 0.911 590 N CB -0.088 38.660 38.487 0.435 0.000 0.964 590 N HN 0.531 nan 8.380 nan 0.000 0.447 591 M N 0.417 120.115 119.600 0.163 0.000 2.999 591 M HA 0.293 4.773 4.480 0.000 0.000 0.206 591 M C 0.132 176.516 176.300 0.140 0.000 1.111 591 M CA -0.367 54.959 55.300 0.043 0.000 0.946 591 M CB 0.251 32.836 32.600 -0.026 0.000 1.330 591 M HN -0.190 nan 8.290 nan 0.000 0.533 592 V N -2.060 117.981 119.914 0.212 0.000 6.346 592 V HA 0.347 4.467 4.120 0.000 0.000 0.067 592 V C 0.285 176.663 176.094 0.473 0.000 0.851 592 V CA -0.664 61.865 62.300 0.382 0.000 1.015 592 V CB -0.293 31.774 31.823 0.406 0.000 1.784 592 V HN 0.331 nan 8.190 nan 0.000 0.615 593 L N 2.001 123.591 121.223 0.612 0.000 2.444 593 L HA 0.557 4.897 4.340 0.000 0.000 0.251 593 L C 0.328 177.360 176.870 0.270 0.000 1.247 593 L CA 1.102 56.320 54.840 0.630 0.000 0.825 593 L CB -0.497 41.849 42.059 0.479 0.000 1.129 593 L HN 0.921 nan 8.230 nan 0.000 0.527 594 Q N -0.710 119.231 119.800 0.236 0.000 2.416 594 Q HA 0.728 5.068 4.340 0.000 0.000 0.279 594 Q C -0.932 175.137 176.000 0.115 0.000 1.101 594 Q CA -0.451 55.435 55.803 0.139 0.000 0.830 594 Q CB 2.041 30.828 28.738 0.081 0.000 1.402 594 Q HN 0.689 nan 8.270 nan 0.000 0.445 595 S N -0.122 115.621 115.700 0.071 0.000 2.655 595 S HA 0.330 4.800 4.470 0.000 0.000 0.266 595 S C -1.224 173.377 174.600 0.003 0.000 1.149 595 S CA -0.070 58.141 58.200 0.018 0.000 0.818 595 S CB 0.818 63.998 63.200 -0.034 0.000 1.130 595 S HN 0.901 nan 8.310 nan 0.000 0.476 596 S N 1.387 117.084 115.700 -0.004 0.000 2.526 596 S HA 0.583 5.053 4.470 0.000 0.000 0.247 596 S C 0.041 174.614 174.600 -0.045 0.000 1.076 596 S CA -0.065 58.122 58.200 -0.022 0.000 1.105 596 S CB -0.375 62.849 63.200 0.040 0.000 0.793 596 S HN 0.735 nan 8.310 nan 0.000 0.458 597 L N -0.425 120.706 121.223 -0.155 0.000 3.256 597 L HA 0.698 5.038 4.340 0.000 0.000 0.217 597 L C 0.690 177.227 176.870 -0.554 0.000 1.576 597 L CA 0.838 55.550 54.840 -0.213 0.000 1.647 597 L CB -0.260 41.736 42.059 -0.104 0.000 1.809 597 L HN 0.434 nan 8.230 nan 0.000 0.584 598 G N 0.496 109.020 108.800 -0.459 0.000 2.598 598 G HA2 -0.115 3.845 3.960 0.000 0.000 0.221 598 G HA3 -0.115 3.845 3.960 0.000 0.000 0.221 598 G C 0.107 174.828 174.900 -0.299 0.000 1.019 598 G CA 0.143 44.906 45.100 -0.562 0.000 0.912 598 G HN 0.670 nan 8.290 nan 0.000 0.574 599 N N 1.166 119.715 118.700 -0.250 0.000 2.719 599 N HA 0.003 4.743 4.740 0.000 0.000 0.207 599 N C 0.044 175.444 175.510 -0.185 0.000 1.551 599 N CA 0.855 53.770 53.050 -0.226 0.000 0.914 599 N CB -0.177 37.985 38.487 -0.542 0.000 1.215 599 N HN 0.293 nan 8.380 nan 0.000 0.480 600 D N 0.238 120.551 120.400 -0.145 0.000 3.514 600 D HA -0.220 4.420 4.640 0.000 0.000 0.213 600 D C -0.810 175.454 176.300 -0.060 0.000 1.118 600 D CA 0.346 54.298 54.000 -0.080 0.000 1.071 600 D CB -0.509 40.260 40.800 -0.051 0.000 0.781 600 D HN 0.428 nan 8.370 nan 0.000 0.384 601 L N 4.464 125.669 121.223 -0.031 0.000 2.375 601 L HA 0.241 4.581 4.340 0.000 0.000 0.276 601 L C 1.376 178.267 176.870 0.034 0.000 1.162 601 L CA -0.009 54.824 54.840 -0.012 0.000 0.991 601 L CB 0.383 42.448 42.059 0.011 0.000 1.315 601 L HN 0.255 nan 8.230 nan 0.000 0.431 602 R N 1.599 122.116 120.500 0.027 0.000 2.086 602 R HA 0.247 4.587 4.340 0.000 0.000 0.194 602 R C 1.278 177.605 176.300 0.045 0.000 1.312 602 R CA 1.176 57.306 56.100 0.051 0.000 1.145 602 R CB -0.231 30.096 30.300 0.045 0.000 1.050 602 R HN 0.433 nan 8.270 nan 0.000 0.479 603 V N -0.078 119.854 119.914 0.029 0.000 3.499 603 V HA 0.253 4.373 4.120 0.000 0.000 0.308 603 V C 0.256 176.358 176.094 0.013 0.000 1.319 603 V CA 0.308 62.623 62.300 0.025 0.000 1.194 603 V CB -0.051 31.786 31.823 0.024 0.000 1.072 603 V HN 0.055 nan 8.190 nan 0.000 0.426 604 D N 1.861 122.264 120.400 0.005 0.000 3.072 604 D HA 0.400 5.040 4.640 0.000 0.000 0.250 604 D C 1.394 177.692 176.300 -0.004 0.000 1.304 604 D CA 0.994 54.985 54.000 -0.014 0.000 0.861 604 D CB 0.714 41.480 40.800 -0.055 0.000 1.062 604 D HN 0.520 nan 8.370 nan 0.000 0.481 605 G N 1.730 110.528 108.800 -0.004 0.000 2.565 605 G HA2 -0.316 3.644 3.960 0.000 0.000 0.295 605 G HA3 -0.316 3.644 3.960 0.000 0.000 0.295 605 G C 0.484 175.405 174.900 0.034 0.000 1.165 605 G CA 0.332 45.425 45.100 -0.011 0.000 0.977 605 G HN 1.170 nan 8.290 nan 0.000 0.546 606 A N -1.726 121.124 122.820 0.049 0.000 2.475 606 A HA 0.204 4.524 4.320 0.000 0.000 0.295 606 A C 0.808 178.461 177.584 0.116 0.000 1.457 606 A CA 2.096 54.190 52.037 0.096 0.000 0.734 606 A CB -1.608 17.454 19.000 0.103 0.000 1.118 606 A HN 2.303 nan 8.150 nan 0.000 0.400 607 S N -1.144 114.633 115.700 0.127 0.000 2.719 607 S HA 0.965 5.435 4.470 0.000 0.000 0.285 607 S C 0.163 174.855 174.600 0.155 0.000 1.137 607 S CA 0.181 58.459 58.200 0.130 0.000 1.012 607 S CB 1.095 64.375 63.200 0.133 0.000 1.134 607 S HN 1.766 nan 8.310 nan 0.000 0.544 608 I N 0.468 121.113 120.570 0.125 0.000 2.490 608 I HA 0.363 4.533 4.170 0.000 0.000 0.308 608 I C -2.490 173.632 176.117 0.008 0.000 2.038 608 I CA -0.580 60.810 61.300 0.151 0.000 0.924 608 I CB 1.259 39.399 38.000 0.233 0.000 1.558 608 I HN 0.882 nan 8.210 nan 0.000 0.637 609 K N 3.662 124.039 120.400 -0.038 0.000 2.842 609 K HA 0.422 4.742 4.320 0.000 0.000 0.291 609 K C -2.182 174.337 176.600 -0.135 0.000 1.089 609 K CA -0.922 55.165 56.287 -0.332 0.000 0.883 609 K CB 0.284 32.688 32.500 -0.160 0.000 1.423 609 K HN 0.387 nan 8.250 nan 0.000 0.368 610 F N 0.890 120.745 119.950 -0.158 0.000 2.538 610 F HA 0.390 4.917 4.527 0.000 0.000 0.325 610 F C 0.280 175.919 175.800 -0.269 0.000 1.066 610 F CA -0.882 56.958 58.000 -0.266 0.000 0.946 610 F CB 1.893 40.570 39.000 -0.539 0.000 1.199 610 F HN 0.707 nan 8.300 nan 0.000 0.473 611 D N -0.556 119.867 120.400 0.038 0.000 2.338 611 D HA 0.060 4.700 4.640 0.000 0.000 0.224 611 D C 0.688 177.037 176.300 0.081 0.000 0.967 611 D CA 0.473 54.494 54.000 0.034 0.000 0.896 611 D CB 0.100 40.912 40.800 0.021 0.000 1.028 611 D HN 0.418 nan 8.370 nan 0.000 0.493 612 S N -0.820 114.933 115.700 0.089 0.000 2.874 612 S HA 0.770 5.240 4.470 0.000 0.000 0.318 612 S C -0.783 173.913 174.600 0.161 0.000 1.109 612 S CA -0.830 57.457 58.200 0.145 0.000 0.878 612 S CB 1.785 65.055 63.200 0.116 0.000 1.307 612 S HN 0.167 nan 8.310 nan 0.000 0.592 613 I N -1.107 119.578 120.570 0.191 0.000 2.604 613 I HA 0.499 4.669 4.170 0.000 0.000 0.306 613 I C -1.812 174.414 176.117 0.182 0.000 1.912 613 I CA -0.359 61.045 61.300 0.173 0.000 0.927 613 I CB 1.239 39.447 38.000 0.346 0.000 1.473 613 I HN 1.333 nan 8.210 nan 0.000 0.634 614 C N 3.080 122.454 119.300 0.122 0.000 3.253 614 C HA 0.893 5.353 4.460 0.000 0.000 0.362 614 C C -1.240 173.623 174.990 -0.211 0.000 1.487 614 C CA -1.138 57.918 59.018 0.063 0.000 1.179 614 C CB 1.084 28.814 27.740 -0.017 0.000 1.660 614 C HN 1.061 nan 8.230 nan 0.000 0.438 615 L N 0.019 120.938 121.223 -0.505 0.000 2.653 615 L HA 0.898 5.238 4.340 0.000 0.000 0.257 615 L C -1.758 174.717 176.870 -0.658 0.000 0.969 615 L CA -0.343 54.061 54.840 -0.726 0.000 0.869 615 L CB 1.818 43.346 42.059 -0.884 0.000 1.439 615 L HN 1.002 nan 8.230 nan 0.000 0.414 616 Y N 1.934 122.143 120.300 -0.152 0.000 3.044 616 Y HA 0.996 5.546 4.550 0.000 0.000 0.295 616 Y C -0.301 175.526 175.900 -0.121 0.000 1.754 616 Y CA -0.689 57.347 58.100 -0.106 0.000 1.082 616 Y CB 0.663 39.017 38.460 -0.177 0.000 1.973 616 Y HN 1.053 nan 8.280 nan 0.000 0.427 617 A N -0.467 122.453 122.820 0.167 0.000 2.612 617 A HA 0.485 4.805 4.320 0.000 0.000 0.301 617 A C -0.369 177.334 177.584 0.198 0.000 0.918 617 A CA -0.380 51.752 52.037 0.158 0.000 0.684 617 A CB -0.582 18.500 19.000 0.138 0.000 1.217 617 A HN 0.763 nan 8.150 nan 0.000 0.392 618 T N 0.403 115.079 114.554 0.203 0.000 5.309 618 T HA 0.539 4.889 4.350 0.000 0.000 0.457 618 T C 0.380 175.289 174.700 0.349 0.000 0.956 618 T CA 1.754 63.991 62.100 0.229 0.000 0.961 618 T CB -0.172 68.812 68.868 0.193 0.000 1.240 618 T HN 1.790 nan 8.240 nan 0.000 0.411 619 F N -1.167 118.868 119.950 0.142 0.000 3.010 619 F HA 0.365 4.892 4.527 0.000 0.000 0.333 619 F C -2.388 173.571 175.800 0.264 0.000 1.068 619 F CA -1.251 56.848 58.000 0.165 0.000 0.846 619 F CB 0.645 39.723 39.000 0.129 0.000 2.091 619 F HN 0.525 nan 8.300 nan 0.000 0.423 620 F N 4.788 125.110 119.950 0.620 0.000 2.684 620 F HA 0.573 5.100 4.527 0.000 0.000 0.329 620 F C -3.034 173.013 175.800 0.412 0.000 1.094 620 F CA -1.018 57.231 58.000 0.416 0.000 1.116 620 F CB 1.400 40.507 39.000 0.178 0.000 1.366 620 F HN 0.225 nan 8.300 nan 0.000 0.567 621 P HA 0.571 nan 4.420 nan 0.000 0.294 621 P C -1.496 175.526 177.300 -0.462 0.000 1.325 621 P CA -0.778 62.227 63.100 -0.158 0.000 0.978 621 P CB 2.769 34.522 31.700 0.088 0.000 1.288 622 M N 1.868 121.347 119.600 -0.202 0.000 2.126 622 M HA 0.536 5.016 4.480 0.000 0.000 0.217 622 M C -0.335 175.967 176.300 0.003 0.000 0.873 622 M CA -0.122 55.098 55.300 -0.134 0.000 0.707 622 M CB 0.035 32.582 32.600 -0.089 0.000 1.515 622 M HN 0.718 nan 8.290 nan 0.000 0.369 623 A N 1.639 124.479 122.820 0.033 0.000 3.811 623 A HA -0.243 4.077 4.320 0.000 0.000 0.687 623 A C -0.421 177.319 177.584 0.260 0.000 2.035 623 A CA 1.315 53.403 52.037 0.086 0.000 2.350 623 A CB -0.902 18.101 19.000 0.005 0.000 1.398 623 A HN 0.931 nan 8.150 nan 0.000 0.652 624 H N 0.786 119.850 119.070 -0.009 0.000 2.524 624 H HA 0.235 4.791 4.556 0.000 0.000 0.299 624 H C 1.170 176.497 175.328 -0.002 0.000 1.074 624 H CA 0.272 56.319 56.048 -0.001 0.000 1.115 624 H CB 0.104 29.867 29.762 0.002 0.000 1.522 624 H HN 0.700 nan 8.280 nan 0.000 0.543 625 N N 0.187 118.947 118.700 0.099 0.000 2.160 625 N HA -0.010 4.730 4.740 0.000 0.000 0.226 625 N C -0.013 175.514 175.510 0.028 0.000 1.256 625 N CA 0.103 53.181 53.050 0.047 0.000 0.890 625 N CB 1.105 39.605 38.487 0.021 0.000 1.116 625 N HN 0.101 nan 8.380 nan 0.000 0.517 626 T N -2.291 112.285 114.554 0.036 0.000 3.333 626 T HA 0.357 4.707 4.350 0.000 0.000 0.289 626 T C 0.854 175.569 174.700 0.024 0.000 0.866 626 T CA 0.377 62.488 62.100 0.018 0.000 0.872 626 T CB 0.406 69.278 68.868 0.006 0.000 1.227 626 T HN 0.240 nan 8.240 nan 0.000 0.676 627 A N 1.069 123.912 122.820 0.039 0.000 2.008 627 A HA 0.577 4.897 4.320 0.000 0.000 0.201 627 A C 1.650 179.243 177.584 0.015 0.000 1.794 627 A CA 0.732 52.785 52.037 0.028 0.000 0.952 627 A CB -0.526 18.492 19.000 0.029 0.000 1.147 627 A HN 0.228 nan 8.150 nan 0.000 0.589 628 S N 0.173 115.874 115.700 0.001 0.000 2.894 628 S HA 0.041 4.511 4.470 0.000 0.000 0.231 628 S C 1.134 175.730 174.600 -0.006 0.000 0.971 628 S CA 1.302 59.470 58.200 -0.053 0.000 1.005 628 S CB -0.542 62.541 63.200 -0.196 0.000 0.799 628 S HN 0.553 nan 8.310 nan 0.000 0.527 629 T N 1.134 115.697 114.554 0.015 0.000 3.071 629 T HA 0.298 4.648 4.350 0.000 0.000 0.239 629 T C 1.371 176.081 174.700 0.016 0.000 0.997 629 T CA 0.123 62.234 62.100 0.019 0.000 1.134 629 T CB -0.002 68.880 68.868 0.024 0.000 0.928 629 T HN 0.254 nan 8.240 nan 0.000 0.453 630 L N 0.741 121.974 121.223 0.017 0.000 1.884 630 L HA -0.012 4.328 4.340 0.000 0.000 0.236 630 L C 1.096 177.980 176.870 0.022 0.000 1.088 630 L CA 1.066 55.918 54.840 0.020 0.000 0.841 630 L CB -0.824 41.248 42.059 0.021 0.000 0.900 630 L HN 0.402 nan 8.230 nan 0.000 0.427 631 E N -1.776 118.439 120.200 0.025 0.000 9.212 631 E HA -0.355 3.995 4.350 0.000 0.000 0.380 631 E C 0.575 177.200 176.600 0.041 0.000 1.429 631 E CA 0.237 56.656 56.400 0.031 0.000 2.482 631 E CB -0.507 29.206 29.700 0.023 0.000 1.064 631 E HN 0.687 nan 8.360 nan 0.000 0.415 632 A N -0.289 122.563 122.820 0.052 0.000 2.544 632 A HA -0.310 4.010 4.320 0.000 0.000 0.310 632 A C 1.227 178.849 177.584 0.064 0.000 1.484 632 A CA 2.387 54.464 52.037 0.067 0.000 0.916 632 A CB -1.128 17.912 19.000 0.066 0.000 0.976 632 A HN 0.471 nan 8.150 nan 0.000 0.415 633 M N -2.383 117.253 119.600 0.060 0.000 2.357 633 M HA 0.063 4.543 4.480 0.000 0.000 0.266 633 M C 1.836 178.174 176.300 0.063 0.000 1.095 633 M CA 1.734 57.064 55.300 0.049 0.000 1.156 633 M CB 0.031 32.655 32.600 0.041 0.000 1.365 633 M HN 0.633 nan 8.290 nan 0.000 0.447 634 L N -0.013 121.267 121.223 0.095 0.000 2.253 634 L HA 0.124 4.464 4.340 0.000 0.000 0.205 634 L C 1.603 178.649 176.870 0.293 0.000 1.078 634 L CA 1.421 56.354 54.840 0.154 0.000 0.805 634 L CB -0.411 41.745 42.059 0.162 0.000 0.963 634 L HN 0.052 nan 8.230 nan 0.000 0.459 635 R N 0.492 121.120 120.500 0.213 0.000 2.425 635 R HA -0.065 4.275 4.340 0.000 0.000 0.206 635 R C 0.367 176.862 176.300 0.325 0.000 1.117 635 R CA 0.319 56.549 56.100 0.218 0.000 1.098 635 R CB -0.997 29.361 30.300 0.097 0.000 0.843 635 R HN 0.557 nan 8.270 nan 0.000 0.480 636 N N -1.066 117.795 118.700 0.269 0.000 2.867 636 N HA 0.120 4.860 4.740 0.000 0.000 0.326 636 N C -0.062 175.364 175.510 -0.140 0.000 1.355 636 N CA -0.709 52.390 53.050 0.083 0.000 0.830 636 N CB 0.849 39.352 38.487 0.025 0.000 1.152 636 N HN -0.180 nan 8.380 nan 0.000 0.569 637 D N -0.616 119.672 120.400 -0.187 0.000 2.589 637 D HA -0.075 4.565 4.640 0.000 0.000 0.262 637 D C 1.391 177.523 176.300 -0.281 0.000 1.410 637 D CA 0.981 54.789 54.000 -0.320 0.000 1.044 637 D CB -1.377 39.324 40.800 -0.164 0.000 1.016 637 D HN 0.569 nan 8.370 nan 0.000 0.349 638 T N -0.053 114.408 114.554 -0.155 0.000 3.133 638 T HA -0.182 4.168 4.350 0.000 0.000 0.270 638 T C 0.830 175.471 174.700 -0.099 0.000 1.201 638 T CA 1.136 63.168 62.100 -0.112 0.000 1.062 638 T CB -0.459 68.365 68.868 -0.073 0.000 0.821 638 T HN -0.070 nan 8.240 nan 0.000 0.602 639 N N 0.839 119.471 118.700 -0.113 0.000 2.282 639 N HA 0.108 4.848 4.740 0.000 0.000 0.185 639 N C 0.215 175.697 175.510 -0.045 0.000 1.099 639 N CA 0.043 53.057 53.050 -0.059 0.000 0.878 639 N CB 0.242 38.719 38.487 -0.017 0.000 0.993 639 N HN 0.670 nan 8.380 nan 0.000 0.481 640 D N 0.679 121.019 120.400 -0.100 0.000 2.232 640 D HA -0.015 4.625 4.640 0.000 0.000 0.242 640 D C 0.679 176.952 176.300 -0.045 0.000 1.330 640 D CA 0.464 54.449 54.000 -0.025 0.000 0.954 640 D CB 0.637 41.389 40.800 -0.081 0.000 1.202 640 D HN 0.109 nan 8.370 nan 0.000 0.530 641 Q N -1.171 118.606 119.800 -0.037 0.000 3.156 641 Q HA 0.497 4.837 4.340 0.000 0.000 0.301 641 Q C -0.929 174.984 176.000 -0.144 0.000 1.026 641 Q CA -0.874 54.836 55.803 -0.156 0.000 0.827 641 Q CB 1.474 29.999 28.738 -0.354 0.000 1.490 641 Q HN 0.331 nan 8.270 nan 0.000 0.492 642 S N 0.292 115.857 115.700 -0.224 0.000 2.317 642 S HA 0.411 4.881 4.470 0.000 0.000 0.144 642 S C -1.577 173.006 174.600 -0.028 0.000 1.660 642 S CA -0.409 57.736 58.200 -0.093 0.000 1.273 642 S CB -0.339 62.807 63.200 -0.091 0.000 1.330 642 S HN 0.348 nan 8.310 nan 0.000 0.395 643 F N 4.200 124.259 119.950 0.183 0.000 2.456 643 F HA 0.377 4.904 4.527 0.000 0.000 0.358 643 F C 0.971 177.045 175.800 0.457 0.000 1.095 643 F CA -0.614 57.516 58.000 0.216 0.000 1.216 643 F CB 0.754 39.778 39.000 0.039 0.000 1.125 643 F HN 0.509 nan 8.300 nan 0.000 0.549 644 N N 1.623 120.719 118.700 0.660 0.000 2.509 644 N HA 0.130 4.870 4.740 0.000 0.000 0.287 644 N C -1.255 174.553 175.510 0.497 0.000 1.121 644 N CA -0.667 52.764 53.050 0.635 0.000 0.977 644 N CB 1.232 39.976 38.487 0.429 0.000 1.167 644 N HN 0.424 nan 8.380 nan 0.000 0.476 645 D N 1.722 122.049 120.400 -0.122 0.000 2.412 645 D HA 0.111 4.751 4.640 0.000 0.000 0.224 645 D C 0.819 176.921 176.300 -0.331 0.000 1.093 645 D CA -0.475 53.075 54.000 -0.749 0.000 0.850 645 D CB -0.000 40.040 40.800 -1.266 0.000 1.046 645 D HN 0.413 nan 8.370 nan 0.000 0.507 646 Y N 3.419 123.559 120.300 -0.267 0.000 1.422 646 Y HA -0.409 4.141 4.550 0.000 0.000 0.098 646 Y C 1.638 177.342 175.900 -0.326 0.000 0.702 646 Y CA 2.653 60.630 58.100 -0.204 0.000 0.416 646 Y CB -0.682 37.660 38.460 -0.196 0.000 0.541 646 Y HN 0.523 nan 8.280 nan 0.000 0.762 647 L N -1.108 119.843 121.223 -0.454 0.000 2.554 647 L HA 0.327 4.667 4.340 0.000 0.000 0.225 647 L C 0.647 176.935 176.870 -0.971 0.000 1.104 647 L CA 1.089 55.502 54.840 -0.712 0.000 0.866 647 L CB -1.600 40.162 42.059 -0.495 0.000 1.047 647 L HN 0.726 nan 8.230 nan 0.000 0.468 648 S N -0.089 115.175 115.700 -0.727 0.000 3.866 648 S HA -0.020 4.450 4.470 0.000 0.000 0.427 648 S C 0.318 174.628 174.600 -0.483 0.000 0.891 648 S CA 0.360 58.170 58.200 -0.650 0.000 1.275 648 S CB -2.663 60.082 63.200 -0.759 0.000 0.872 648 S HN 1.048 nan 8.310 nan 0.000 0.562 649 A N 0.613 123.179 122.820 -0.423 0.000 2.294 649 A HA 0.999 5.319 4.320 0.000 0.000 0.330 649 A C 0.754 178.053 177.584 -0.474 0.000 1.133 649 A CA -0.197 51.564 52.037 -0.460 0.000 0.836 649 A CB 1.179 19.915 19.000 -0.441 0.000 1.190 649 A HN 1.759 nan 8.150 nan 0.000 0.492 650 A N 0.903 123.253 122.820 -0.784 0.000 3.699 650 A HA 0.829 5.149 4.320 0.000 0.000 0.167 650 A C -0.089 177.121 177.584 -0.624 0.000 1.780 650 A CA 0.329 51.957 52.037 -0.682 0.000 1.483 650 A CB 0.063 18.688 19.000 -0.625 0.000 1.720 650 A HN 1.802 nan 8.150 nan 0.000 0.671 651 N N -2.301 116.093 118.700 -0.509 0.000 5.380 651 N HA 0.278 5.018 4.740 0.000 0.000 0.166 651 N C -1.125 174.382 175.510 -0.005 0.000 1.036 651 N CA -0.056 52.874 53.050 -0.200 0.000 1.032 651 N CB -0.275 38.209 38.487 -0.005 0.000 1.546 651 N HN 0.779 nan 8.380 nan 0.000 0.732 652 M N -0.172 119.452 119.600 0.040 0.000 2.843 652 M HA 0.623 5.103 4.480 0.000 0.000 0.273 652 M C -1.214 175.008 176.300 -0.130 0.000 1.286 652 M CA -0.965 54.315 55.300 -0.034 0.000 0.807 652 M CB 1.774 34.347 32.600 -0.046 0.000 1.684 652 M HN 0.382 nan 8.290 nan 0.000 0.458 653 L N -0.450 120.591 121.223 -0.305 0.000 2.260 653 L HA 0.774 5.114 4.340 0.000 0.000 0.265 653 L C -1.664 174.810 176.870 -0.661 0.000 1.015 653 L CA -0.761 53.903 54.840 -0.295 0.000 0.826 653 L CB 2.251 44.230 42.059 -0.134 0.000 1.373 653 L HN 0.639 nan 8.230 nan 0.000 0.450 654 Y N -0.761 119.573 120.300 0.056 0.000 2.624 654 Y HA 0.376 4.926 4.550 0.000 0.000 0.334 654 Y C -2.572 173.348 175.900 0.034 0.000 1.155 654 Y CA -1.727 56.406 58.100 0.055 0.000 1.046 654 Y CB 1.917 40.423 38.460 0.078 0.000 1.316 654 Y HN 0.275 nan 8.280 nan 0.000 0.457 655 P HA 0.564 nan 4.420 nan 0.000 0.301 655 P C -1.145 176.214 177.300 0.098 0.000 1.337 655 P CA -0.456 62.711 63.100 0.112 0.000 0.889 655 P CB 1.978 33.730 31.700 0.086 0.000 1.050 656 I N 5.022 125.630 120.570 0.064 0.000 2.560 656 I HA 0.279 4.449 4.170 0.000 0.000 0.278 656 I C -2.053 174.083 176.117 0.032 0.000 1.089 656 I CA -2.267 59.062 61.300 0.048 0.000 1.086 656 I CB 1.882 39.904 38.000 0.037 0.000 1.202 656 I HN 0.228 nan 8.210 nan 0.000 0.471 657 P HA 0.125 nan 4.420 nan 0.000 0.300 657 P C -0.149 177.165 177.300 0.023 0.000 1.294 657 P CA -0.409 62.708 63.100 0.028 0.000 0.757 657 P CB 0.415 32.134 31.700 0.031 0.000 1.377 658 A N -0.501 122.333 122.820 0.024 0.000 2.462 658 A HA 0.141 4.461 4.320 0.000 0.000 0.243 658 A C 0.547 178.145 177.584 0.023 0.000 1.076 658 A CA 0.168 52.218 52.037 0.022 0.000 0.773 658 A CB -1.296 17.718 19.000 0.023 0.000 1.010 658 A HN 0.702 nan 8.150 nan 0.000 0.493 659 N N -1.442 117.271 118.700 0.022 0.000 4.223 659 N HA -0.141 4.599 4.740 0.000 0.000 0.326 659 N C -0.364 175.162 175.510 0.027 0.000 2.055 659 N CA 0.809 53.875 53.050 0.026 0.000 3.058 659 N CB -0.172 38.332 38.487 0.030 0.000 0.298 659 N HN 1.358 nan 8.380 nan 0.000 0.838 660 A N 2.872 125.709 122.820 0.029 0.000 2.786 660 A HA 0.434 4.754 4.320 0.000 0.000 0.346 660 A C 0.950 178.563 177.584 0.048 0.000 1.265 660 A CA -0.310 51.747 52.037 0.034 0.000 0.858 660 A CB 0.566 19.579 19.000 0.022 0.000 1.118 660 A HN 0.648 nan 8.150 nan 0.000 0.482 661 T N 1.061 115.643 114.554 0.046 0.000 3.101 661 T HA -0.058 4.292 4.350 0.000 0.000 0.214 661 T C 0.720 175.455 174.700 0.060 0.000 1.259 661 T CA 1.194 63.324 62.100 0.049 0.000 1.832 661 T CB -0.220 68.672 68.868 0.041 0.000 1.077 661 T HN 0.623 nan 8.240 nan 0.000 0.356 662 N N -0.067 118.664 118.700 0.052 0.000 2.370 662 N HA 0.580 5.320 4.740 0.000 0.000 0.303 662 N C -1.531 174.007 175.510 0.046 0.000 1.103 662 N CA -0.468 52.613 53.050 0.052 0.000 0.848 662 N CB 1.922 40.429 38.487 0.033 0.000 1.235 662 N HN 0.120 nan 8.380 nan 0.000 0.496 663 V N 2.355 122.295 119.914 0.043 0.000 2.763 663 V HA 0.302 4.422 4.120 0.000 0.000 0.257 663 V C -2.546 173.518 176.094 -0.048 0.000 0.906 663 V CA -1.026 61.290 62.300 0.027 0.000 0.894 663 V CB 1.183 33.054 31.823 0.079 0.000 1.052 663 V HN 0.592 nan 8.190 nan 0.000 0.491 664 P HA 0.445 nan 4.420 nan 0.000 0.245 664 P C 0.083 177.330 177.300 -0.088 0.000 1.740 664 P CA -0.291 62.733 63.100 -0.127 0.000 1.125 664 P CB 0.331 31.972 31.700 -0.098 0.000 1.747 665 I N 1.384 121.891 120.570 -0.106 0.000 2.849 665 I HA -0.111 4.059 4.170 0.000 0.000 0.288 665 I C 1.143 177.249 176.117 -0.018 0.000 1.156 665 I CA 0.285 61.554 61.300 -0.052 0.000 1.394 665 I CB -0.608 37.338 38.000 -0.090 0.000 1.462 665 I HN 0.252 nan 8.210 nan 0.000 0.587 666 S N 5.651 121.354 115.700 0.006 0.000 2.547 666 S HA -0.088 4.382 4.470 0.000 0.000 0.255 666 S C 1.099 175.711 174.600 0.019 0.000 0.977 666 S CA -0.013 58.192 58.200 0.008 0.000 0.960 666 S CB -0.885 62.326 63.200 0.019 0.000 0.746 666 S HN 0.539 nan 8.310 nan 0.000 0.532 667 I N 2.422 123.017 120.570 0.043 0.000 3.167 667 I HA -0.169 4.001 4.170 0.000 0.000 0.304 667 I C -1.372 174.774 176.117 0.048 0.000 0.993 667 I CA 0.099 61.438 61.300 0.065 0.000 2.096 667 I CB -0.912 37.127 38.000 0.064 0.000 0.994 667 I HN 0.200 nan 8.210 nan 0.000 0.408 668 P HA 0.382 nan 4.420 nan 0.000 0.321 668 P C -0.864 176.485 177.300 0.082 0.000 1.304 668 P CA -0.367 62.761 63.100 0.046 0.000 0.759 668 P CB 1.032 32.747 31.700 0.025 0.000 1.385 669 S N -2.253 113.452 115.700 0.009 0.000 2.632 669 S HA 0.805 5.275 4.470 0.000 0.000 0.289 669 S C 0.079 174.489 174.600 -0.317 0.000 1.115 669 S CA -0.396 57.779 58.200 -0.042 0.000 0.889 669 S CB 2.996 66.183 63.200 -0.022 0.000 1.116 669 S HN 0.585 nan 8.310 nan 0.000 0.486 670 R N 0.990 121.068 120.500 -0.702 0.000 5.264 670 R HA 0.466 4.806 4.340 0.000 0.000 0.100 670 R C -1.447 174.373 176.300 -0.800 0.000 1.065 670 R CA 0.213 55.865 56.100 -0.747 0.000 0.773 670 R CB -0.160 29.602 30.300 -0.897 0.000 1.112 670 R HN 0.716 nan 8.270 nan 0.000 0.383 671 N N -0.326 117.718 118.700 -1.093 0.000 3.186 671 N HA 0.170 4.910 4.740 0.000 0.000 0.230 671 N C -1.654 173.477 175.510 -0.632 0.000 1.062 671 N CA -0.233 52.361 53.050 -0.761 0.000 1.084 671 N CB 0.535 38.797 38.487 -0.375 0.000 1.662 671 N HN 0.209 nan 8.380 nan 0.000 0.627 672 W N 2.846 124.181 121.300 0.058 0.000 2.283 672 W HA 0.828 5.488 4.660 0.000 0.000 0.604 672 W C 1.075 177.682 176.519 0.146 0.000 1.554 672 W CA 0.454 57.876 57.345 0.128 0.000 1.522 672 W CB -0.344 29.203 29.460 0.145 0.000 3.073 672 W HN 0.760 nan 8.180 nan 0.000 0.751 673 A N -0.417 122.709 122.820 0.510 0.000 5.305 673 A HA 0.287 4.607 4.320 0.000 0.000 0.204 673 A C 0.943 178.731 177.584 0.340 0.000 2.555 673 A CA 0.186 52.427 52.037 0.341 0.000 0.699 673 A CB -2.125 17.020 19.000 0.242 0.000 0.696 673 A HN 2.150 nan 8.150 nan 0.000 0.299 674 A N -1.055 121.914 122.820 0.249 0.000 5.045 674 A HA 0.189 4.509 4.320 0.000 0.000 0.760 674 A C 1.366 179.023 177.584 0.120 0.000 1.455 674 A CA 2.883 55.043 52.037 0.204 0.000 2.478 674 A CB -1.440 17.710 19.000 0.249 0.000 1.593 674 A HN 2.748 nan 8.150 nan 0.000 0.840 675 F N -1.617 118.219 119.950 -0.190 0.000 2.201 675 F HA -0.124 4.403 4.527 0.000 0.000 0.470 675 F C 0.865 175.936 175.800 -1.216 0.000 1.227 675 F CA 1.024 58.630 58.000 -0.656 0.000 1.522 675 F CB -0.220 38.334 39.000 -0.743 0.000 2.383 675 F HN 0.641 nan 8.300 nan 0.000 0.741 676 R N 2.749 122.925 120.500 -0.541 0.000 2.328 676 R HA 0.381 4.721 4.340 0.000 0.000 0.200 676 R C 1.026 177.054 176.300 -0.453 0.000 0.983 676 R CA 0.868 56.712 56.100 -0.427 0.000 1.062 676 R CB -0.219 29.895 30.300 -0.310 0.000 0.956 676 R HN 1.018 nan 8.270 nan 0.000 0.479 677 G N -1.138 107.296 108.800 -0.611 0.000 2.359 677 G HA2 -0.070 3.890 3.960 0.000 0.000 0.303 677 G HA3 -0.070 3.890 3.960 0.000 0.000 0.303 677 G C -1.575 173.302 174.900 -0.038 0.000 1.293 677 G CA -0.837 44.102 45.100 -0.270 0.000 0.964 677 G HN 0.129 nan 8.290 nan 0.000 0.531 678 W N -0.677 120.826 121.300 0.337 0.000 2.736 678 W HA 0.732 5.392 4.660 0.000 0.000 0.355 678 W C 0.090 176.749 176.519 0.234 0.000 1.102 678 W CA -0.543 56.976 57.345 0.291 0.000 1.164 678 W CB 2.598 32.208 29.460 0.249 0.000 1.422 678 W HN 1.502 nan 8.180 nan 0.000 0.572 679 A N 2.631 125.738 122.820 0.478 0.000 2.604 679 A HA 0.525 4.845 4.320 0.000 0.000 0.285 679 A C -1.357 176.490 177.584 0.438 0.000 1.095 679 A CA -0.589 51.711 52.037 0.438 0.000 0.842 679 A CB -0.138 19.013 19.000 0.252 0.000 1.385 679 A HN 0.465 nan 8.150 nan 0.000 0.404 680 F N 1.130 121.183 119.950 0.172 0.000 2.404 680 F HA 0.908 5.435 4.527 0.000 0.000 0.339 680 F C 0.121 176.072 175.800 0.251 0.000 1.105 680 F CA -1.082 57.007 58.000 0.148 0.000 1.087 680 F CB 0.990 40.015 39.000 0.042 0.000 1.143 680 F HN 0.574 nan 8.300 nan 0.000 0.491 681 T N 0.731 115.466 114.554 0.301 0.000 3.225 681 T HA 0.376 4.726 4.350 0.000 0.000 0.356 681 T C -1.064 173.871 174.700 0.391 0.000 1.460 681 T CA -1.068 61.234 62.100 0.337 0.000 1.126 681 T CB 1.235 70.265 68.868 0.269 0.000 1.321 681 T HN 1.026 nan 8.240 nan 0.000 0.478 682 R N 1.604 122.222 120.500 0.196 0.000 2.441 682 R HA 0.727 5.067 4.340 0.000 0.000 0.284 682 R C -0.808 175.399 176.300 -0.156 0.000 1.070 682 R CA -0.706 55.356 56.100 -0.064 0.000 1.047 682 R CB 0.460 30.535 30.300 -0.375 0.000 1.016 682 R HN 0.636 nan 8.270 nan 0.000 0.477 683 L N 3.248 124.397 121.223 -0.124 0.000 2.422 683 L HA 0.417 4.758 4.340 0.000 0.000 0.264 683 L C -0.251 176.497 176.870 -0.202 0.000 0.984 683 L CA -0.955 53.750 54.840 -0.225 0.000 0.819 683 L CB 2.262 44.220 42.059 -0.168 0.000 1.330 683 L HN 0.699 nan 8.230 nan 0.000 0.410 684 K N 0.163 120.409 120.400 -0.256 0.000 2.187 684 K HA 0.106 4.426 4.320 0.000 0.000 0.247 684 K C 0.365 176.873 176.600 -0.154 0.000 1.019 684 K CA 0.040 56.209 56.287 -0.196 0.000 0.893 684 K CB 0.812 33.186 32.500 -0.211 0.000 1.025 684 K HN 0.492 nan 8.250 nan 0.000 0.500 685 T N 0.349 114.834 114.554 -0.116 0.000 3.200 685 T HA 0.091 4.441 4.350 0.000 0.000 0.284 685 T C 0.580 175.233 174.700 -0.078 0.000 1.009 685 T CA -0.035 62.011 62.100 -0.090 0.000 0.907 685 T CB 0.109 68.941 68.868 -0.059 0.000 1.120 685 T HN 0.432 nan 8.240 nan 0.000 0.534 686 K N 0.535 120.879 120.400 -0.093 0.000 2.493 686 K HA 0.200 4.520 4.320 0.000 0.000 0.201 686 K C 1.075 177.593 176.600 -0.137 0.000 1.355 686 K CA 0.353 56.602 56.287 -0.063 0.000 0.953 686 K CB 0.463 32.948 32.500 -0.025 0.000 1.316 686 K HN 0.283 nan 8.250 nan 0.000 0.522 687 E N 1.541 121.571 120.200 -0.284 0.000 2.516 687 E HA 0.001 4.351 4.350 0.000 0.000 0.199 687 E C -0.347 176.127 176.600 -0.209 0.000 1.069 687 E CA 0.437 56.499 56.400 -0.564 0.000 0.876 687 E CB 0.038 29.384 29.700 -0.590 0.000 0.843 687 E HN 0.119 nan 8.360 nan 0.000 0.530 688 T N 3.958 118.458 114.554 -0.090 0.000 2.863 688 T HA 0.168 4.518 4.350 0.000 0.000 0.299 688 T C -2.004 172.715 174.700 0.032 0.000 0.973 688 T CA -1.198 60.865 62.100 -0.061 0.000 0.994 688 T CB 0.929 69.732 68.868 -0.108 0.000 0.961 688 T HN 0.038 nan 8.240 nan 0.000 0.552 689 P HA 0.167 nan 4.420 nan 0.000 0.254 689 P C 0.346 177.504 177.300 -0.236 0.000 1.494 689 P CA -0.354 62.531 63.100 -0.359 0.000 0.961 689 P CB -0.077 31.032 31.700 -0.984 0.000 1.493 690 S N 1.299 116.901 115.700 -0.163 0.000 3.959 690 S HA -0.122 4.348 4.470 0.000 0.000 0.473 690 S C 0.613 175.156 174.600 -0.094 0.000 1.041 690 S CA 0.033 58.156 58.200 -0.128 0.000 1.364 690 S CB -1.019 62.109 63.200 -0.120 0.000 0.851 690 S HN 0.181 nan 8.310 nan 0.000 0.543 691 L N 5.173 126.355 121.223 -0.069 0.000 3.001 691 L HA 0.282 4.622 4.340 0.000 0.000 0.234 691 L C 1.735 178.613 176.870 0.014 0.000 1.321 691 L CA -0.214 54.616 54.840 -0.016 0.000 1.138 691 L CB -0.443 41.620 42.059 0.007 0.000 1.503 691 L HN 0.799 nan 8.230 nan 0.000 0.487 692 G N -0.374 108.424 108.800 -0.003 0.000 3.266 692 G HA2 0.154 4.114 3.960 0.000 0.000 0.238 692 G HA3 0.154 4.114 3.960 0.000 0.000 0.238 692 G C 0.699 175.612 174.900 0.022 0.000 1.076 692 G CA 0.780 45.883 45.100 0.006 0.000 1.804 692 G HN 0.565 nan 8.290 nan 0.000 0.600 693 S N -2.053 113.673 115.700 0.043 0.000 6.176 693 S HA 0.621 5.091 4.470 0.000 0.000 0.108 693 S C 0.920 175.577 174.600 0.094 0.000 1.234 693 S CA 0.488 58.724 58.200 0.059 0.000 1.275 693 S CB 0.526 63.767 63.200 0.068 0.000 1.979 693 S HN 1.117 nan 8.310 nan 0.000 0.622 694 G N 0.455 109.345 108.800 0.149 0.000 3.262 694 G HA2 0.270 4.230 3.960 0.000 0.000 0.148 694 G HA3 0.270 4.230 3.960 0.000 0.000 0.148 694 G C -1.244 173.876 174.900 0.366 0.000 1.197 694 G CA -0.043 45.217 45.100 0.266 0.000 1.469 694 G HN 0.501 nan 8.290 nan 0.000 0.717 695 Y N 3.451 123.877 120.300 0.210 0.000 3.096 695 Y HA 0.418 4.968 4.550 0.000 0.000 0.377 695 Y C 0.097 176.050 175.900 0.088 0.000 1.107 695 Y CA -1.006 57.153 58.100 0.097 0.000 2.045 695 Y CB -0.819 37.498 38.460 -0.238 0.000 2.203 695 Y HN 0.128 nan 8.280 nan 0.000 0.408 696 D N 3.270 123.683 120.400 0.022 0.000 2.451 696 D HA 0.006 4.646 4.640 0.000 0.000 0.254 696 D C -1.729 174.488 176.300 -0.138 0.000 1.204 696 D CA -1.409 52.588 54.000 -0.005 0.000 0.896 696 D CB 1.244 42.060 40.800 0.027 0.000 1.136 696 D HN 0.274 nan 8.370 nan 0.000 0.499 697 P HA 0.003 nan 4.420 nan 0.000 0.264 697 P C 0.012 177.359 177.300 0.078 0.000 1.259 697 P CA -0.088 62.943 63.100 -0.115 0.000 0.841 697 P CB 0.133 31.785 31.700 -0.080 0.000 1.232 698 Y N 1.026 121.333 120.300 0.011 0.000 2.889 698 Y HA 0.232 4.782 4.550 0.000 0.000 0.367 698 Y C -0.478 175.522 175.900 0.167 0.000 1.197 698 Y CA -0.812 57.325 58.100 0.062 0.000 1.993 698 Y CB -1.184 37.303 38.460 0.044 0.000 2.112 698 Y HN -0.085 nan 8.280 nan 0.000 0.413 699 Y N -0.488 119.907 120.300 0.158 0.000 2.524 699 Y HA 0.395 4.945 4.550 0.000 0.000 0.347 699 Y C 0.343 176.307 175.900 0.107 0.000 1.005 699 Y CA -1.693 56.473 58.100 0.109 0.000 1.025 699 Y CB 1.942 40.441 38.460 0.065 0.000 1.275 699 Y HN 0.159 nan 8.280 nan 0.000 0.460 700 T N 2.675 117.055 114.554 -0.290 0.000 3.332 700 T HA 0.198 4.548 4.350 0.000 0.000 0.304 700 T C -0.540 173.947 174.700 -0.355 0.000 0.971 700 T CA 0.029 62.003 62.100 -0.211 0.000 0.954 700 T CB -0.182 68.650 68.868 -0.060 0.000 1.175 700 T HN 0.529 nan 8.240 nan 0.000 0.519 701 Y N 1.678 121.322 120.300 -1.093 0.000 3.267 701 Y HA 0.674 5.224 4.550 0.000 0.000 0.326 701 Y C 1.148 176.837 175.900 -0.351 0.000 1.464 701 Y CA 0.429 58.072 58.100 -0.763 0.000 0.870 701 Y CB 1.453 39.434 38.460 -0.798 0.000 1.253 701 Y HN 0.101 nan 8.280 nan 0.000 0.792 702 S N -2.958 112.856 115.700 0.190 0.000 2.835 702 S HA 0.022 4.492 4.470 0.000 0.000 0.085 702 S C 0.863 175.641 174.600 0.298 0.000 0.622 702 S CA -0.096 58.273 58.200 0.281 0.000 1.515 702 S CB -1.353 61.887 63.200 0.066 0.000 0.919 702 S HN 0.926 nan 8.310 nan 0.000 0.278 703 G N 2.740 111.611 108.800 0.119 0.000 2.913 703 G HA2 0.463 4.423 3.960 0.000 0.000 0.145 703 G HA3 0.463 4.423 3.960 0.000 0.000 0.145 703 G C 0.060 175.221 174.900 0.435 0.000 1.801 703 G CA 0.512 45.742 45.100 0.216 0.000 1.033 703 G HN 0.746 nan 8.290 nan 0.000 0.495 704 S N -0.381 115.577 115.700 0.430 0.000 2.586 704 S HA 0.615 5.085 4.470 0.000 0.000 0.274 704 S C -0.645 174.033 174.600 0.130 0.000 1.281 704 S CA -0.051 58.294 58.200 0.242 0.000 1.035 704 S CB 1.324 64.622 63.200 0.162 0.000 0.962 704 S HN 0.363 nan 8.310 nan 0.000 0.512 705 I N 1.815 122.396 120.570 0.019 0.000 2.775 705 I HA 0.327 4.497 4.170 0.000 0.000 0.295 705 I C -2.781 173.285 176.117 -0.085 0.000 1.287 705 I CA -2.134 59.101 61.300 -0.108 0.000 1.029 705 I CB 2.031 39.913 38.000 -0.198 0.000 1.282 705 I HN 0.294 nan 8.210 nan 0.000 0.426 706 P HA 0.015 nan 4.420 nan 0.000 0.229 706 P C -1.186 176.049 177.300 -0.108 0.000 1.485 706 P CA 0.954 63.836 63.100 -0.363 0.000 1.217 706 P CB -0.225 30.936 31.700 -0.898 0.000 1.852 707 Y N 0.156 120.346 120.300 -0.183 0.000 2.519 707 Y HA 0.172 4.722 4.550 0.000 0.000 0.205 707 Y C 1.578 177.412 175.900 -0.109 0.000 2.245 707 Y CA -0.662 57.358 58.100 -0.132 0.000 1.053 707 Y CB -0.599 37.752 38.460 -0.183 0.000 2.351 707 Y HN -0.095 nan 8.280 nan 0.000 0.340 708 L N 1.367 122.504 121.223 -0.143 0.000 1.952 708 L HA -0.315 4.025 4.340 0.000 0.000 0.231 708 L C 1.969 178.750 176.870 -0.149 0.000 1.088 708 L CA 2.942 57.658 54.840 -0.207 0.000 0.802 708 L CB -0.794 41.207 42.059 -0.096 0.000 0.903 708 L HN 0.837 nan 8.230 nan 0.000 0.439 709 D N -0.500 119.854 120.400 -0.076 0.000 3.000 709 D HA -0.280 4.360 4.640 0.000 0.000 0.196 709 D C 1.090 177.327 176.300 -0.106 0.000 1.110 709 D CA 2.838 56.805 54.000 -0.056 0.000 0.873 709 D CB -0.515 40.283 40.800 -0.003 0.000 0.948 709 D HN 0.791 nan 8.370 nan 0.000 0.496 710 G N -2.362 106.345 108.800 -0.155 0.000 2.321 710 G HA2 -0.029 3.931 3.960 0.000 0.000 0.219 710 G HA3 -0.029 3.931 3.960 0.000 0.000 0.219 710 G C -0.275 174.436 174.900 -0.315 0.000 1.057 710 G CA 0.137 45.077 45.100 -0.267 0.000 0.849 710 G HN 0.496 nan 8.290 nan 0.000 0.520 711 T N 0.032 114.433 114.554 -0.255 0.000 2.794 711 T HA 0.627 4.977 4.350 0.000 0.000 0.304 711 T C -0.833 173.685 174.700 -0.303 0.000 0.973 711 T CA -0.234 61.636 62.100 -0.384 0.000 0.972 711 T CB 0.764 69.570 68.868 -0.104 0.000 0.952 711 T HN 0.348 nan 8.240 nan 0.000 0.509 712 F N 3.961 123.605 119.950 -0.510 0.000 3.287 712 F HA 0.283 4.810 4.527 0.000 0.000 0.379 712 F C -0.421 175.240 175.800 -0.232 0.000 1.268 712 F CA -1.174 56.601 58.000 -0.376 0.000 1.220 712 F CB 1.116 39.884 39.000 -0.386 0.000 1.687 712 F HN 0.576 nan 8.300 nan 0.000 0.648 713 Y N 0.722 120.804 120.300 -0.364 0.000 2.452 713 Y HA 0.432 4.982 4.550 0.000 0.000 0.262 713 Y C 0.577 176.361 175.900 -0.193 0.000 1.089 713 Y CA -0.475 57.572 58.100 -0.088 0.000 1.262 713 Y CB -0.333 38.193 38.460 0.111 0.000 1.236 713 Y HN 0.244 nan 8.280 nan 0.000 0.512 714 L N 2.457 123.165 121.223 -0.858 0.000 2.873 714 L HA 0.227 4.567 4.340 0.000 0.000 0.236 714 L C -0.478 175.967 176.870 -0.708 0.000 1.375 714 L CA 0.441 54.669 54.840 -1.019 0.000 1.239 714 L CB -0.822 40.635 42.059 -1.003 0.000 1.603 714 L HN 0.299 nan 8.230 nan 0.000 0.430 715 N N 0.728 119.115 118.700 -0.522 0.000 2.886 715 N HA 0.189 4.929 4.740 0.000 0.000 0.285 715 N C 0.117 175.655 175.510 0.046 0.000 1.706 715 N CA -0.132 52.835 53.050 -0.139 0.000 0.904 715 N CB 0.312 38.506 38.487 -0.489 0.000 1.224 715 N HN 0.435 nan 8.380 nan 0.000 0.488 716 H N -2.026 117.191 119.070 0.246 0.000 3.661 716 H HA -0.002 4.554 4.556 0.000 0.000 0.279 716 H C -0.368 174.890 175.328 -0.115 0.000 1.104 716 H CA -0.260 55.683 56.048 -0.176 0.000 1.116 716 H CB -0.474 28.913 29.762 -0.625 0.000 2.920 716 H HN 0.205 nan 8.280 nan 0.000 0.825 717 T N -0.857 113.514 114.554 -0.305 0.000 3.331 717 T HA 0.373 4.723 4.350 0.000 0.000 0.282 717 T C -0.481 173.987 174.700 -0.387 0.000 1.010 717 T CA -0.510 61.422 62.100 -0.280 0.000 0.928 717 T CB -0.689 67.955 68.868 -0.374 0.000 1.154 717 T HN 0.151 nan 8.240 nan 0.000 0.516 718 F N 0.828 120.880 119.950 0.170 0.000 2.544 718 F HA 0.884 5.411 4.527 0.000 0.000 0.378 718 F C 0.225 176.113 175.800 0.146 0.000 1.112 718 F CA -1.912 56.141 58.000 0.088 0.000 1.115 718 F CB 0.873 39.887 39.000 0.023 0.000 1.436 718 F HN 0.115 nan 8.300 nan 0.000 0.496 719 K N 0.671 121.288 120.400 0.361 0.000 2.619 719 K HA 0.178 4.498 4.320 0.000 0.000 0.279 719 K C -1.394 175.382 176.600 0.292 0.000 1.071 719 K CA -0.724 55.725 56.287 0.270 0.000 1.039 719 K CB 0.759 33.385 32.500 0.211 0.000 1.392 719 K HN 0.649 nan 8.250 nan 0.000 0.427 720 K N 2.949 123.501 120.400 0.253 0.000 5.393 720 K HA -0.134 4.186 4.320 0.000 0.000 0.381 720 K C -0.709 176.051 176.600 0.266 0.000 1.015 720 K CA 0.575 57.002 56.287 0.233 0.000 1.190 720 K CB -0.986 31.617 32.500 0.173 0.000 1.752 720 K HN 0.360 nan 8.250 nan 0.000 0.409 721 V N 1.332 121.349 119.914 0.172 0.000 3.894 721 V HA 0.760 4.880 4.120 0.000 0.000 0.268 721 V C 0.586 176.492 176.094 -0.312 0.000 0.956 721 V CA 0.450 62.748 62.300 -0.003 0.000 0.843 721 V CB 1.156 32.724 31.823 -0.424 0.000 1.198 721 V HN 1.080 nan 8.190 nan 0.000 0.393 722 A N 0.217 122.675 122.820 -0.604 0.000 1.664 722 A HA 0.169 4.489 4.320 0.000 0.000 0.471 722 A C -1.124 176.316 177.584 -0.240 0.000 0.190 722 A CA -0.715 51.180 52.037 -0.237 0.000 0.302 722 A CB -1.079 17.927 19.000 0.010 0.000 2.636 722 A HN 0.565 nan 8.150 nan 0.000 0.436 723 I N 3.195 123.690 120.570 -0.126 0.000 2.294 723 I HA 0.189 4.359 4.170 0.000 0.000 0.295 723 I C 1.501 177.650 176.117 0.053 0.000 1.098 723 I CA 0.273 61.504 61.300 -0.114 0.000 1.277 723 I CB 1.206 39.076 38.000 -0.216 0.000 1.434 723 I HN 0.675 nan 8.210 nan 0.000 0.498 724 T N 5.053 119.602 114.554 -0.009 0.000 3.658 724 T HA -0.028 4.322 4.350 0.000 0.000 0.250 724 T C 0.522 175.278 174.700 0.094 0.000 1.060 724 T CA -0.317 61.805 62.100 0.038 0.000 0.962 724 T CB -1.094 67.756 68.868 -0.029 0.000 1.075 724 T HN 0.369 nan 8.240 nan 0.000 0.610 725 F N 2.779 122.711 119.950 -0.029 0.000 2.408 725 F HA -0.215 4.312 4.527 0.000 0.000 0.310 725 F C 1.100 176.890 175.800 -0.017 0.000 0.925 725 F CA 1.100 59.078 58.000 -0.037 0.000 1.166 725 F CB 0.069 39.050 39.000 -0.032 0.000 0.895 725 F HN 0.357 nan 8.300 nan 0.000 0.626 726 D N 0.728 120.536 120.400 -0.986 0.000 4.435 726 D HA -0.327 4.313 4.640 0.000 0.000 0.221 726 D C 0.819 177.018 176.300 -0.168 0.000 1.021 726 D CA 3.087 56.785 54.000 -0.504 0.000 2.165 726 D CB -1.282 39.524 40.800 0.011 0.000 1.159 726 D HN 1.117 nan 8.370 nan 0.000 0.408 727 S N -3.297 112.382 115.700 -0.034 0.000 4.652 727 S HA 0.006 4.476 4.470 0.000 0.000 0.043 727 S C 0.576 175.201 174.600 0.042 0.000 0.859 727 S CA 0.891 59.088 58.200 -0.005 0.000 0.938 727 S CB -0.974 62.220 63.200 -0.010 0.000 0.398 727 S HN 0.543 nan 8.310 nan 0.000 0.800 728 S N 0.922 116.681 115.700 0.098 0.000 3.393 728 S HA 0.300 4.770 4.470 0.000 0.000 0.209 728 S C 0.728 175.409 174.600 0.135 0.000 0.897 728 S CA 0.568 58.833 58.200 0.109 0.000 0.825 728 S CB -0.706 62.563 63.200 0.114 0.000 0.898 728 S HN 0.602 nan 8.310 nan 0.000 0.615 729 V N 4.017 124.059 119.914 0.214 0.000 2.085 729 V HA 0.011 4.131 4.120 0.000 0.000 0.231 729 V C 0.244 176.440 176.094 0.171 0.000 1.738 729 V CA 0.368 62.754 62.300 0.143 0.000 1.660 729 V CB -2.143 29.703 31.823 0.038 0.000 1.514 729 V HN 0.491 nan 8.190 nan 0.000 0.477 730 S N 2.031 117.804 115.700 0.123 0.000 3.399 730 S HA -0.004 4.466 4.470 0.000 0.000 0.267 730 S C 0.279 174.977 174.600 0.165 0.000 1.088 730 S CA -0.568 57.712 58.200 0.134 0.000 1.306 730 S CB -0.807 62.437 63.200 0.074 0.000 1.601 730 S HN 0.746 nan 8.310 nan 0.000 0.558 731 W N 3.800 125.111 121.300 0.018 0.000 2.524 731 W HA -0.142 4.518 4.660 0.000 0.000 0.331 731 W C -1.808 174.694 176.519 -0.029 0.000 0.812 731 W CA -0.434 56.918 57.345 0.012 0.000 0.855 731 W CB 0.160 29.676 29.460 0.092 0.000 0.996 731 W HN 0.404 nan 8.180 nan 0.000 0.540 732 P HA 0.392 nan 4.420 nan 0.000 0.193 732 P C 0.806 177.813 177.300 -0.488 0.000 1.120 732 P CA 2.404 64.923 63.100 -0.968 0.000 0.880 732 P CB 0.844 31.810 31.700 -1.224 0.000 0.728 733 G N -1.167 107.397 108.800 -0.393 0.000 4.018 733 G HA2 -0.103 3.857 3.960 0.000 0.000 0.195 733 G HA3 -0.103 3.857 3.960 0.000 0.000 0.195 733 G C -0.216 174.552 174.900 -0.221 0.000 1.019 733 G CA -0.319 44.633 45.100 -0.247 0.000 0.871 733 G HN 0.350 nan 8.290 nan 0.000 0.339 734 N N 2.855 121.402 118.700 -0.254 0.000 3.027 734 N HA 0.204 4.944 4.740 0.000 0.000 0.309 734 N C -0.107 175.282 175.510 -0.202 0.000 1.222 734 N CA 0.572 53.502 53.050 -0.201 0.000 1.187 734 N CB 0.449 38.821 38.487 -0.192 0.000 1.458 734 N HN 0.316 nan 8.380 nan 0.000 0.535 735 D N 1.808 122.100 120.400 -0.181 0.000 3.771 735 D HA -0.341 4.299 4.640 0.000 0.000 0.145 735 D C 1.255 177.430 176.300 -0.210 0.000 0.892 735 D CA 1.931 55.830 54.000 -0.169 0.000 1.080 735 D CB -0.375 40.346 40.800 -0.132 0.000 0.498 735 D HN 0.565 nan 8.370 nan 0.000 0.499 736 R N -2.288 118.099 120.500 -0.189 0.000 2.299 736 R HA -0.248 4.092 4.340 0.000 0.000 0.153 736 R C 0.751 176.920 176.300 -0.218 0.000 0.885 736 R CA 1.873 57.850 56.100 -0.205 0.000 1.883 736 R CB -1.815 28.329 30.300 -0.260 0.000 0.864 736 R HN 0.530 nan 8.270 nan 0.000 0.666 737 L N 2.682 123.757 121.223 -0.246 0.000 2.289 737 L HA 0.284 4.624 4.340 0.000 0.000 0.285 737 L C 1.829 178.557 176.870 -0.235 0.000 1.049 737 L CA -0.240 54.447 54.840 -0.256 0.000 0.804 737 L CB 1.091 42.979 42.059 -0.286 0.000 1.195 737 L HN 0.116 nan 8.230 nan 0.000 0.428 738 L N 2.215 123.264 121.223 -0.289 0.000 2.651 738 L HA -0.041 4.299 4.340 0.000 0.000 0.236 738 L C -0.086 176.608 176.870 -0.294 0.000 1.173 738 L CA 0.616 55.254 54.840 -0.336 0.000 0.843 738 L CB -1.223 40.476 42.059 -0.599 0.000 0.964 738 L HN 0.705 nan 8.230 nan 0.000 0.454 739 T N -0.454 113.962 114.554 -0.229 0.000 3.865 739 T HA 0.107 4.457 4.350 0.000 0.000 0.234 739 T C -2.457 172.166 174.700 -0.129 0.000 0.584 739 T CA -0.606 61.408 62.100 -0.143 0.000 1.058 739 T CB 1.248 70.050 68.868 -0.110 0.000 1.174 739 T HN -0.068 nan 8.240 nan 0.000 0.514 740 P HA 0.116 nan 4.420 nan 0.000 0.286 740 P C 0.294 177.541 177.300 -0.090 0.000 1.577 740 P CA 0.259 63.270 63.100 -0.149 0.000 0.805 740 P CB -0.034 31.557 31.700 -0.181 0.000 1.706 741 N N 0.239 118.920 118.700 -0.033 0.000 2.436 741 N HA -0.002 4.738 4.740 0.000 0.000 0.178 741 N C 0.788 176.359 175.510 0.103 0.000 1.026 741 N CA 0.886 53.948 53.050 0.019 0.000 0.880 741 N CB 0.128 38.627 38.487 0.021 0.000 1.061 741 N HN 0.341 nan 8.380 nan 0.000 0.434 742 E N -1.389 118.895 120.200 0.139 0.000 2.646 742 E HA 0.468 4.818 4.350 0.000 0.000 0.181 742 E C -0.583 176.333 176.600 0.526 0.000 0.715 742 E CA -0.557 56.042 56.400 0.332 0.000 1.031 742 E CB 0.557 30.380 29.700 0.206 0.000 1.878 742 E HN -0.087 nan 8.360 nan 0.000 0.370 743 F N -0.257 119.711 119.950 0.029 0.000 2.925 743 F HA 0.283 4.810 4.527 0.000 0.000 0.355 743 F C -0.315 175.519 175.800 0.058 0.000 1.073 743 F CA -0.546 57.475 58.000 0.036 0.000 1.127 743 F CB -0.064 38.949 39.000 0.022 0.000 1.123 743 F HN 0.335 nan 8.300 nan 0.000 0.551 744 E N 2.313 122.674 120.200 0.268 0.000 0.749 744 E HA -0.206 4.144 4.350 0.000 0.000 0.362 744 E C 0.205 176.918 176.600 0.188 0.000 0.686 744 E CA 0.221 56.737 56.400 0.194 0.000 1.367 744 E CB -0.174 29.617 29.700 0.153 0.000 0.330 744 E HN 0.245 nan 8.360 nan 0.000 0.366 745 I N 4.764 125.439 120.570 0.175 0.000 3.731 745 I HA 0.132 4.302 4.170 0.000 0.000 0.341 745 I C 0.864 177.014 176.117 0.056 0.000 1.532 745 I CA 0.436 61.818 61.300 0.136 0.000 1.163 745 I CB -0.397 37.670 38.000 0.112 0.000 1.339 745 I HN 0.525 nan 8.210 nan 0.000 0.449 746 K N 0.904 121.343 120.400 0.066 0.000 2.798 746 K HA 0.048 4.368 4.320 0.000 0.000 0.145 746 K C 1.354 177.988 176.600 0.057 0.000 1.147 746 K CA -0.141 56.159 56.287 0.021 0.000 1.138 746 K CB 0.617 33.150 32.500 0.055 0.000 0.880 746 K HN 0.045 nan 8.250 nan 0.000 0.419 747 R N 0.978 121.534 120.500 0.093 0.000 2.313 747 R HA -0.224 4.116 4.340 0.000 0.000 0.218 747 R C -0.425 175.914 176.300 0.065 0.000 1.104 747 R CA 2.597 58.764 56.100 0.113 0.000 0.793 747 R CB -0.441 29.960 30.300 0.169 0.000 0.964 747 R HN 0.131 nan 8.270 nan 0.000 0.377 748 S N -5.302 110.416 115.700 0.029 0.000 2.758 748 S HA 0.140 4.610 4.470 0.000 0.000 0.278 748 S C -0.485 174.102 174.600 -0.023 0.000 0.905 748 S CA -0.243 57.963 58.200 0.009 0.000 0.960 748 S CB 0.816 64.023 63.200 0.012 0.000 1.211 748 S HN 0.159 nan 8.310 nan 0.000 0.462 749 V N 2.185 122.088 119.914 -0.019 0.000 3.620 749 V HA 0.025 4.145 4.120 0.000 0.000 0.286 749 V C 1.489 177.555 176.094 -0.047 0.000 1.288 749 V CA 1.259 63.539 62.300 -0.034 0.000 1.178 749 V CB -0.649 31.163 31.823 -0.017 0.000 0.986 749 V HN 0.885 nan 8.190 nan 0.000 0.431 750 D N 1.033 121.406 120.400 -0.045 0.000 2.319 750 D HA 0.178 4.818 4.640 0.000 0.000 0.230 750 D C 0.853 177.100 176.300 -0.089 0.000 1.094 750 D CA 0.619 54.590 54.000 -0.048 0.000 0.856 750 D CB 0.638 41.423 40.800 -0.025 0.000 0.915 750 D HN 0.368 nan 8.370 nan 0.000 0.517 751 G N 0.441 109.162 108.800 -0.131 0.000 3.288 751 G HA2 -0.001 3.959 3.960 0.000 0.000 0.285 751 G HA3 -0.001 3.959 3.960 0.000 0.000 0.285 751 G C 0.067 174.801 174.900 -0.275 0.000 3.680 751 G CA -0.505 44.438 45.100 -0.261 0.000 0.508 751 G HN -0.030 nan 8.290 nan 0.000 0.300 752 E N 1.134 121.214 120.200 -0.200 0.000 2.021 752 E HA -0.038 4.312 4.350 0.000 0.000 0.189 752 E C 2.677 179.179 176.600 -0.163 0.000 0.980 752 E CA 1.396 57.715 56.400 -0.135 0.000 0.803 752 E CB -0.132 29.519 29.700 -0.081 0.000 0.766 752 E HN 0.681 nan 8.360 nan 0.000 0.449 753 G N 1.407 110.094 108.800 -0.187 0.000 3.013 753 G HA2 -0.361 3.599 3.960 0.000 0.000 0.294 753 G HA3 -0.361 3.599 3.960 0.000 0.000 0.294 753 G C 1.394 176.321 174.900 0.044 0.000 1.131 753 G CA 2.014 47.045 45.100 -0.114 0.000 0.916 753 G HN 0.479 nan 8.290 nan 0.000 0.700 754 Y N 0.501 120.787 120.300 -0.024 0.000 2.509 754 Y HA 0.095 4.645 4.550 0.000 0.000 0.293 754 Y C 1.120 177.000 175.900 -0.033 0.000 1.133 754 Y CA -0.065 58.020 58.100 -0.025 0.000 1.283 754 Y CB -0.024 38.430 38.460 -0.010 0.000 1.001 754 Y HN 0.060 nan 8.280 nan 0.000 0.555 755 N N 1.255 120.001 118.700 0.077 0.000 2.408 755 N HA 0.130 4.870 4.740 0.000 0.000 0.257 755 N C 0.092 175.582 175.510 -0.034 0.000 1.064 755 N CA -0.014 53.047 53.050 0.019 0.000 0.952 755 N CB 1.603 40.085 38.487 -0.007 0.000 1.093 755 N HN -0.082 nan 8.380 nan 0.000 0.490 756 V N 1.747 121.618 119.914 -0.073 0.000 4.052 756 V HA -0.126 3.994 4.120 0.000 0.000 0.299 756 V C 0.933 176.951 176.094 -0.127 0.000 1.079 756 V CA 0.019 62.207 62.300 -0.187 0.000 1.167 756 V CB -0.021 31.627 31.823 -0.291 0.000 1.153 756 V HN 0.888 nan 8.190 nan 0.000 0.479 757 A N 2.343 125.051 122.820 -0.187 0.000 1.700 757 A HA -0.210 4.110 4.320 0.000 0.000 0.334 757 A C 0.884 178.476 177.584 0.012 0.000 0.978 757 A CA 1.298 53.292 52.037 -0.072 0.000 1.490 757 A CB -1.294 17.702 19.000 -0.005 0.000 0.700 757 A HN 0.982 nan 8.150 nan 0.000 0.210 758 Q N -0.993 118.807 119.800 -0.000 0.000 2.394 758 Q HA -0.248 4.092 4.340 0.000 0.000 0.369 758 Q C 0.201 176.234 176.000 0.055 0.000 1.312 758 Q CA 1.173 56.991 55.803 0.025 0.000 1.155 758 Q CB -1.286 27.474 28.738 0.036 0.000 1.311 758 Q HN 0.997 nan 8.270 nan 0.000 0.315 759 C N -0.511 118.815 119.300 0.044 0.000 3.129 759 C HA 0.126 4.586 4.460 0.000 0.000 0.341 759 C C 0.664 175.668 174.990 0.022 0.000 3.256 759 C CA -0.036 59.025 59.018 0.072 0.000 1.162 759 C CB 0.425 28.249 27.740 0.140 0.000 3.568 759 C HN 0.883 nan 8.230 nan 0.000 0.390 760 N N 0.780 119.467 118.700 -0.022 0.000 2.181 760 N HA 0.134 4.874 4.740 0.000 0.000 0.207 760 N C 0.345 175.715 175.510 -0.233 0.000 1.182 760 N CA 0.109 53.087 53.050 -0.120 0.000 0.893 760 N CB -0.272 38.135 38.487 -0.134 0.000 1.032 760 N HN 0.766 nan 8.380 nan 0.000 0.513 761 M N 0.962 120.431 119.600 -0.219 0.000 1.887 761 M HA 0.128 4.608 4.480 0.000 0.000 0.205 761 M C -0.106 176.202 176.300 0.013 0.000 1.315 761 M CA 0.448 55.681 55.300 -0.111 0.000 0.919 761 M CB -0.310 32.377 32.600 0.146 0.000 1.230 761 M HN -0.105 nan 8.290 nan 0.000 0.381 762 T N -0.966 113.686 114.554 0.164 0.000 2.908 762 T HA 0.369 4.719 4.350 0.000 0.000 0.290 762 T C 0.106 174.828 174.700 0.036 0.000 1.034 762 T CA -1.048 61.138 62.100 0.145 0.000 1.010 762 T CB 1.975 70.980 68.868 0.228 0.000 1.068 762 T HN 0.498 nan 8.240 nan 0.000 0.481 763 K N 0.292 120.684 120.400 -0.013 0.000 2.417 763 K HA 0.139 4.459 4.320 0.000 0.000 0.196 763 K C 0.018 176.597 176.600 -0.035 0.000 1.023 763 K CA 0.140 56.377 56.287 -0.083 0.000 1.122 763 K CB 0.277 32.739 32.500 -0.065 0.000 0.850 763 K HN 0.370 nan 8.250 nan 0.000 0.521 764 D N -0.299 120.108 120.400 0.013 0.000 2.525 764 D HA 0.030 4.670 4.640 0.000 0.000 0.229 764 D C 0.429 176.771 176.300 0.070 0.000 1.202 764 D CA -0.021 53.960 54.000 -0.031 0.000 0.828 764 D CB 0.139 40.886 40.800 -0.089 0.000 1.008 764 D HN 0.458 nan 8.370 nan 0.000 0.493 765 W N -0.773 120.502 121.300 -0.041 0.000 2.350 765 W HA 0.043 4.703 4.660 0.000 0.000 0.175 765 W C 0.403 176.931 176.519 0.015 0.000 0.875 765 W CA -0.281 57.048 57.345 -0.026 0.000 1.094 765 W CB -0.309 29.177 29.460 0.042 0.000 0.715 765 W HN -0.238 nan 8.180 nan 0.000 0.706 766 F N 3.013 122.392 119.950 -0.951 0.000 3.247 766 F HA -0.407 4.120 4.527 0.000 0.000 0.318 766 F C 2.170 177.318 175.800 -1.085 0.000 1.543 766 F CA 2.288 59.646 58.000 -1.069 0.000 1.299 766 F CB -1.156 37.497 39.000 -0.578 0.000 0.761 766 F HN -0.041 nan 8.300 nan 0.000 0.695 767 L N -0.564 120.051 121.223 -1.015 0.000 2.354 767 L HA -0.409 3.931 4.340 0.000 0.000 0.249 767 L C 2.068 178.576 176.870 -0.603 0.000 1.085 767 L CA 2.860 57.089 54.840 -1.017 0.000 0.838 767 L CB -1.139 40.334 42.059 -0.976 0.000 0.948 767 L HN 0.506 nan 8.230 nan 0.000 0.421 768 V N -2.391 117.302 119.914 -0.367 0.000 1.573 768 V HA -0.368 3.752 4.120 0.000 0.000 0.031 768 V C 0.106 176.214 176.094 0.024 0.000 0.883 768 V CA 2.183 64.428 62.300 -0.093 0.000 1.770 768 V CB -1.405 30.447 31.823 0.049 0.000 1.731 768 V HN 0.771 nan 8.190 nan 0.000 0.784 769 Q N -1.598 118.100 119.800 -0.170 0.000 2.786 769 Q HA 0.714 5.054 4.340 0.000 0.000 0.240 769 Q C 0.053 175.827 176.000 -0.377 0.000 0.928 769 Q CA -0.101 55.625 55.803 -0.127 0.000 0.721 769 Q CB 1.892 30.625 28.738 -0.008 0.000 1.318 769 Q HN 0.320 nan 8.270 nan 0.000 0.474 770 M N 0.624 120.185 119.600 -0.065 0.000 1.826 770 M HA -0.074 4.406 4.480 0.000 0.000 0.218 770 M C -0.967 175.330 176.300 -0.005 0.000 0.717 770 M CA 0.705 55.959 55.300 -0.077 0.000 0.832 770 M CB -0.183 32.059 32.600 -0.597 0.000 2.199 770 M HN 0.643 nan 8.290 nan 0.000 0.694 771 L N 1.171 122.339 121.223 -0.090 0.000 2.855 771 L HA 0.302 4.642 4.340 0.000 0.000 0.245 771 L C 1.051 177.987 176.870 0.110 0.000 1.276 771 L CA 0.847 55.688 54.840 0.002 0.000 1.118 771 L CB -0.444 41.596 42.059 -0.031 0.000 1.444 771 L HN 0.570 nan 8.230 nan 0.000 0.440 772 A N -1.413 121.486 122.820 0.132 0.000 3.445 772 A HA -0.084 4.236 4.320 0.000 0.000 0.184 772 A C 1.585 179.224 177.584 0.093 0.000 1.331 772 A CA -0.097 52.022 52.037 0.136 0.000 1.364 772 A CB -0.426 18.681 19.000 0.179 0.000 1.117 772 A HN 0.234 nan 8.150 nan 0.000 0.502 773 N N -0.584 118.156 118.700 0.066 0.000 2.091 773 N HA -0.171 4.569 4.740 0.000 0.000 0.193 773 N C 1.348 176.714 175.510 -0.240 0.000 1.021 773 N CA 2.550 55.512 53.050 -0.146 0.000 0.862 773 N CB -0.470 37.825 38.487 -0.319 0.000 1.018 773 N HN 0.785 nan 8.380 nan 0.000 0.429 774 Y N -2.485 117.824 120.300 0.016 0.000 2.585 774 Y HA 0.352 4.902 4.550 0.000 0.000 0.272 774 Y C 0.369 176.273 175.900 0.006 0.000 1.119 774 Y CA -0.527 57.578 58.100 0.010 0.000 1.255 774 Y CB 0.389 38.848 38.460 -0.002 0.000 1.284 774 Y HN -0.152 nan 8.280 nan 0.000 0.499 775 N N 1.072 119.891 118.700 0.199 0.000 3.312 775 N HA -0.095 4.645 4.740 0.000 0.000 0.248 775 N C -1.188 174.366 175.510 0.073 0.000 1.126 775 N CA 0.315 53.434 53.050 0.115 0.000 0.690 775 N CB -1.119 37.431 38.487 0.104 0.000 1.126 775 N HN 0.301 nan 8.380 nan 0.000 0.570 776 I N -3.937 116.642 120.570 0.015 0.000 3.524 776 I HA 0.739 4.909 4.170 0.000 0.000 0.312 776 I C 1.234 177.305 176.117 -0.077 0.000 1.203 776 I CA -0.539 60.767 61.300 0.010 0.000 0.974 776 I CB 1.577 39.565 38.000 -0.021 0.000 1.352 776 I HN 0.021 nan 8.210 nan 0.000 0.475 777 G N -0.594 108.207 108.800 0.003 0.000 3.465 777 G HA2 -0.100 3.860 3.960 0.000 0.000 0.219 777 G HA3 -0.100 3.860 3.960 0.000 0.000 0.219 777 G C 0.178 175.017 174.900 -0.103 0.000 0.984 777 G CA -0.039 44.909 45.100 -0.254 0.000 0.864 777 G HN 0.663 nan 8.290 nan 0.000 0.485 778 Y N 0.052 120.405 120.300 0.089 0.000 2.673 778 Y HA 0.416 4.966 4.550 0.000 0.000 0.278 778 Y C 1.753 177.612 175.900 -0.070 0.000 1.127 778 Y CA 0.551 58.658 58.100 0.012 0.000 1.261 778 Y CB 0.396 38.844 38.460 -0.020 0.000 1.412 778 Y HN 0.191 nan 8.280 nan 0.000 0.496 779 Q N 1.704 121.573 119.800 0.115 0.000 3.027 779 Q HA 0.392 4.732 4.340 0.000 0.000 0.260 779 Q C 0.298 176.194 176.000 -0.174 0.000 1.379 779 Q CA 0.113 55.906 55.803 -0.017 0.000 1.038 779 Q CB -0.310 28.443 28.738 0.025 0.000 1.578 779 Q HN 0.460 nan 8.270 nan 0.000 0.571 780 G N 1.327 109.907 108.800 -0.366 0.000 3.085 780 G HA2 -0.294 3.666 3.960 0.000 0.000 0.455 780 G HA3 -0.294 3.666 3.960 0.000 0.000 0.455 780 G C -0.317 174.179 174.900 -0.674 0.000 1.592 780 G CA -0.032 44.658 45.100 -0.684 0.000 1.083 780 G HN 0.692 nan 8.290 nan 0.000 0.574 781 F N -0.459 119.214 119.950 -0.461 0.000 2.841 781 F HA 0.334 4.861 4.527 0.000 0.000 0.358 781 F C 0.818 176.392 175.800 -0.375 0.000 1.261 781 F CA -1.277 56.428 58.000 -0.492 0.000 1.233 781 F CB -0.318 38.476 39.000 -0.344 0.000 1.008 781 F HN 0.562 nan 8.300 nan 0.000 0.507 782 Y N 0.710 121.025 120.300 0.024 0.000 3.147 782 Y HA -0.225 4.325 4.550 0.000 0.000 0.363 782 Y C 0.964 176.893 175.900 0.047 0.000 1.228 782 Y CA -1.055 57.058 58.100 0.021 0.000 1.590 782 Y CB -0.238 38.232 38.460 0.017 0.000 1.111 782 Y HN 0.400 nan 8.280 nan 0.000 0.604 783 I N 5.586 126.270 120.570 0.190 0.000 3.298 783 I HA -0.110 4.060 4.170 0.000 0.000 0.327 783 I C -1.604 174.624 176.117 0.185 0.000 1.247 783 I CA -1.161 60.225 61.300 0.143 0.000 1.416 783 I CB 0.410 38.484 38.000 0.123 0.000 1.360 783 I HN 0.503 nan 8.210 nan 0.000 0.507 784 P HA -0.199 nan 4.420 nan 0.000 0.236 784 P C 0.289 177.737 177.300 0.246 0.000 1.333 784 P CA 0.782 63.991 63.100 0.182 0.000 0.806 784 P CB -0.631 31.142 31.700 0.122 0.000 1.619 785 E N -1.531 118.812 120.200 0.239 0.000 3.690 785 E HA -0.334 4.016 4.350 0.000 0.000 0.334 785 E C 0.589 177.345 176.600 0.260 0.000 1.573 785 E CA 1.859 58.410 56.400 0.251 0.000 2.133 785 E CB -1.838 28.051 29.700 0.315 0.000 1.887 785 E HN 0.312 nan 8.360 nan 0.000 0.425 786 S N -0.185 115.697 115.700 0.303 0.000 2.691 786 S HA 0.013 4.483 4.470 0.000 0.000 0.241 786 S C 1.261 176.037 174.600 0.292 0.000 1.077 786 S CA 0.406 58.755 58.200 0.248 0.000 0.900 786 S CB -0.343 62.959 63.200 0.170 0.000 0.805 786 S HN 0.580 nan 8.310 nan 0.000 0.529 787 Y N 1.978 122.327 120.300 0.081 0.000 2.955 787 Y HA 0.730 5.280 4.550 0.000 0.000 0.386 787 Y C 0.506 176.463 175.900 0.095 0.000 1.069 787 Y CA -1.561 56.579 58.100 0.067 0.000 1.764 787 Y CB -0.752 37.735 38.460 0.046 0.000 1.646 787 Y HN 0.167 nan 8.280 nan 0.000 0.486 788 K N -0.849 119.610 120.400 0.099 0.000 2.400 788 K HA -0.039 4.281 4.320 0.000 0.000 0.155 788 K C -0.102 176.659 176.600 0.268 0.000 1.954 788 K CA 0.270 56.605 56.287 0.080 0.000 1.203 788 K CB 0.186 32.691 32.500 0.008 0.000 2.000 788 K HN 0.174 nan 8.250 nan 0.000 0.532 789 D N 2.642 123.227 120.400 0.307 0.000 3.057 789 D HA 0.033 4.673 4.640 0.000 0.000 0.246 789 D C -0.466 175.993 176.300 0.265 0.000 1.238 789 D CA -0.088 54.174 54.000 0.436 0.000 0.949 789 D CB 0.281 41.318 40.800 0.395 0.000 1.086 789 D HN -0.024 nan 8.370 nan 0.000 0.487 790 R N 0.947 121.522 120.500 0.125 0.000 2.705 790 R HA -0.091 4.249 4.340 0.000 0.000 0.264 790 R C 1.863 178.192 176.300 0.048 0.000 0.988 790 R CA -0.015 56.097 56.100 0.021 0.000 1.103 790 R CB 0.114 30.365 30.300 -0.081 0.000 0.950 790 R HN 0.341 nan 8.270 nan 0.000 0.427 791 M N 1.584 121.174 119.600 -0.017 0.000 2.605 791 M HA -0.229 4.251 4.480 0.000 0.000 0.269 791 M C 1.502 177.935 176.300 0.222 0.000 1.064 791 M CA 2.066 57.409 55.300 0.073 0.000 1.078 791 M CB -0.864 31.753 32.600 0.029 0.000 1.234 791 M HN 0.564 nan 8.290 nan 0.000 0.483 792 Y N 0.333 120.625 120.300 -0.013 0.000 2.715 792 Y HA 0.032 4.582 4.550 0.000 0.000 0.368 792 Y C 0.235 176.155 175.900 0.034 0.000 1.125 792 Y CA -0.811 57.279 58.100 -0.016 0.000 1.447 792 Y CB -0.942 37.478 38.460 -0.065 0.000 1.438 792 Y HN 0.121 nan 8.280 nan 0.000 0.472 793 S N 0.893 116.722 115.700 0.215 0.000 2.542 793 S HA 0.316 4.786 4.470 0.000 0.000 0.245 793 S C -0.200 174.724 174.600 0.540 0.000 1.325 793 S CA -0.926 57.414 58.200 0.233 0.000 1.176 793 S CB 0.177 63.320 63.200 -0.095 0.000 1.045 793 S HN 0.575 nan 8.310 nan 0.000 0.481 794 F N 0.709 120.844 119.950 0.308 0.000 2.512 794 F HA -0.473 4.054 4.527 0.000 0.000 0.290 794 F C 1.501 177.579 175.800 0.462 0.000 1.459 794 F CA 1.722 59.921 58.000 0.331 0.000 1.366 794 F CB -0.990 38.208 39.000 0.329 0.000 3.242 794 F HN 0.522 nan 8.300 nan 0.000 0.190 795 F N 0.729 121.059 119.950 0.633 0.000 2.077 795 F HA -0.422 4.105 4.527 0.000 0.000 0.292 795 F C 2.459 178.492 175.800 0.390 0.000 1.120 795 F CA 2.778 61.123 58.000 0.574 0.000 1.246 795 F CB -0.530 38.716 39.000 0.410 0.000 0.941 795 F HN 0.230 nan 8.300 nan 0.000 0.514 796 R N 0.438 120.843 120.500 -0.159 0.000 2.159 796 R HA -0.249 4.091 4.340 0.000 0.000 0.249 796 R C -0.177 176.000 176.300 -0.204 0.000 1.136 796 R CA 2.212 58.129 56.100 -0.305 0.000 0.951 796 R CB -0.618 29.702 30.300 0.034 0.000 0.876 796 R HN 0.383 nan 8.270 nan 0.000 0.440 797 N N -0.508 118.209 118.700 0.028 0.000 2.816 797 N HA 0.313 5.053 4.740 0.000 0.000 0.236 797 N C -1.418 174.206 175.510 0.190 0.000 1.076 797 N CA -0.136 52.955 53.050 0.068 0.000 0.902 797 N CB 0.808 39.352 38.487 0.095 0.000 1.149 797 N HN 0.228 nan 8.380 nan 0.000 0.506 798 F N -0.084 119.841 119.950 -0.042 0.000 2.654 798 F HA 0.173 4.700 4.527 0.000 0.000 0.329 798 F C -2.402 173.453 175.800 0.092 0.000 1.114 798 F CA -0.834 57.172 58.000 0.010 0.000 0.843 798 F CB 0.406 39.364 39.000 -0.069 0.000 2.698 798 F HN 0.229 nan 8.300 nan 0.000 0.400 799 Q N 2.991 122.093 119.800 -1.164 0.000 2.574 799 Q HA 0.473 4.813 4.340 0.000 0.000 0.265 799 Q C -3.001 172.609 176.000 -0.650 0.000 0.975 799 Q CA -1.477 53.845 55.803 -0.801 0.000 0.923 799 Q CB 3.067 31.677 28.738 -0.212 0.000 1.518 799 Q HN 0.451 nan 8.270 nan 0.000 0.401 800 P HA 0.400 nan 4.420 nan 0.000 0.286 800 P C -0.937 176.352 177.300 -0.019 0.000 1.261 800 P CA -0.390 62.656 63.100 -0.089 0.000 0.821 800 P CB 0.933 32.664 31.700 0.052 0.000 1.013 801 M N 0.571 120.181 119.600 0.017 0.000 2.660 801 M HA 0.725 5.205 4.480 0.000 0.000 0.276 801 M C 0.154 176.532 176.300 0.129 0.000 1.044 801 M CA -0.646 54.681 55.300 0.045 0.000 0.901 801 M CB 1.307 33.887 32.600 -0.034 0.000 1.648 801 M HN 0.556 nan 8.290 nan 0.000 0.520 802 S N 0.129 115.968 115.700 0.232 0.000 2.707 802 S HA 0.642 5.112 4.470 0.000 0.000 0.268 802 S C -1.685 173.100 174.600 0.307 0.000 1.004 802 S CA -0.713 57.658 58.200 0.284 0.000 0.902 802 S CB 1.712 65.003 63.200 0.151 0.000 1.157 802 S HN 1.176 nan 8.310 nan 0.000 0.468 803 R N 0.263 120.831 120.500 0.114 0.000 3.288 803 R HA 0.556 4.896 4.340 0.000 0.000 0.284 803 R C -2.547 173.646 176.300 -0.178 0.000 0.967 803 R CA -0.703 55.307 56.100 -0.149 0.000 0.836 803 R CB -0.037 29.915 30.300 -0.580 0.000 1.344 803 R HN 0.587 nan 8.270 nan 0.000 0.534 804 Q N 1.031 120.708 119.800 -0.204 0.000 2.327 804 Q HA 0.513 4.853 4.340 0.000 0.000 0.270 804 Q C -0.680 175.230 176.000 -0.149 0.000 1.022 804 Q CA -0.499 55.221 55.803 -0.139 0.000 0.773 804 Q CB 2.335 31.026 28.738 -0.079 0.000 1.251 804 Q HN 0.628 nan 8.270 nan 0.000 0.457 805 V N 0.139 119.974 119.914 -0.131 0.000 3.193 805 V HA 0.867 4.987 4.120 0.000 0.000 0.320 805 V C -0.154 175.890 176.094 -0.083 0.000 1.112 805 V CA -0.948 61.288 62.300 -0.105 0.000 1.026 805 V CB 1.616 33.376 31.823 -0.105 0.000 1.128 805 V HN 0.478 nan 8.190 nan 0.000 0.452 806 V N -0.327 119.543 119.914 -0.074 0.000 2.716 806 V HA 0.655 4.775 4.120 0.000 0.000 0.304 806 V C -0.300 175.684 176.094 -0.183 0.000 1.053 806 V CA -0.395 61.822 62.300 -0.137 0.000 0.984 806 V CB 1.274 33.067 31.823 -0.049 0.000 1.021 806 V HN 1.045 nan 8.190 nan 0.000 0.467 807 D N 0.839 120.994 120.400 -0.408 0.000 2.350 807 D HA 0.401 5.041 4.640 0.000 0.000 0.238 807 D C -0.639 175.506 176.300 -0.259 0.000 0.989 807 D CA -0.219 53.600 54.000 -0.302 0.000 0.921 807 D CB 2.531 43.163 40.800 -0.279 0.000 1.297 807 D HN 0.945 nan 8.370 nan 0.000 0.490 808 D N -0.647 119.706 120.400 -0.078 0.000 2.582 808 D HA 0.070 4.710 4.640 0.000 0.000 0.246 808 D C -0.181 176.059 176.300 -0.100 0.000 1.334 808 D CA -0.115 53.852 54.000 -0.054 0.000 0.805 808 D CB 0.346 41.002 40.800 -0.239 0.000 1.087 808 D HN 0.180 nan 8.370 nan 0.000 0.499 809 T N -0.931 113.578 114.554 -0.074 0.000 3.223 809 T HA 0.200 4.550 4.350 0.000 0.000 0.259 809 T C 0.895 175.575 174.700 -0.033 0.000 1.015 809 T CA -0.102 61.964 62.100 -0.057 0.000 0.908 809 T CB 0.134 68.971 68.868 -0.051 0.000 1.054 809 T HN 0.352 nan 8.240 nan 0.000 0.567 810 K N -1.378 119.018 120.400 -0.006 0.000 3.118 810 K HA 0.120 4.440 4.320 0.000 0.000 0.239 810 K C -0.537 176.139 176.600 0.127 0.000 2.173 810 K CA -0.676 55.633 56.287 0.036 0.000 1.423 810 K CB -0.140 32.372 32.500 0.020 0.000 2.463 810 K HN -0.081 nan 8.250 nan 0.000 0.515 811 Y N 4.645 124.941 120.300 -0.006 0.000 2.979 811 Y HA -0.214 4.336 4.550 0.000 0.000 0.386 811 Y C 1.243 177.159 175.900 0.028 0.000 1.145 811 Y CA 0.599 58.714 58.100 0.025 0.000 1.575 811 Y CB 0.300 38.794 38.460 0.057 0.000 1.032 811 Y HN 0.369 nan 8.280 nan 0.000 0.559 812 K N 1.588 122.052 120.400 0.105 0.000 2.313 812 K HA 0.059 4.379 4.320 0.000 0.000 0.197 812 K C 0.061 176.642 176.600 -0.032 0.000 1.061 812 K CA 0.693 56.999 56.287 0.032 0.000 0.980 812 K CB 0.369 32.888 32.500 0.031 0.000 0.888 812 K HN 0.418 nan 8.250 nan 0.000 0.502 813 D N 1.069 121.364 120.400 -0.174 0.000 2.557 813 D HA 0.100 4.740 4.640 0.000 0.000 0.236 813 D C -1.666 174.428 176.300 -0.344 0.000 1.154 813 D CA -0.522 53.362 54.000 -0.195 0.000 0.985 813 D CB -0.270 40.436 40.800 -0.157 0.000 1.010 813 D HN 0.062 nan 8.370 nan 0.000 0.516 814 Y N 1.685 121.819 120.300 -0.276 0.000 2.330 814 Y HA 0.506 5.056 4.550 0.000 0.000 0.336 814 Y C -0.857 174.962 175.900 -0.135 0.000 1.036 814 Y CA -0.692 57.279 58.100 -0.215 0.000 1.125 814 Y CB 1.139 39.566 38.460 -0.055 0.000 1.194 814 Y HN 0.035 nan 8.280 nan 0.000 0.469 815 Q N 4.430 123.796 119.800 -0.723 0.000 2.401 815 Q HA 0.247 4.587 4.340 0.000 0.000 0.260 815 Q C 0.166 175.704 176.000 -0.770 0.000 1.034 815 Q CA -0.300 55.178 55.803 -0.542 0.000 0.737 815 Q CB 1.619 30.199 28.738 -0.262 0.000 1.227 815 Q HN 0.837 nan 8.270 nan 0.000 0.488 816 Q N 1.143 120.542 119.800 -0.668 0.000 2.632 816 Q HA -0.036 4.304 4.340 0.000 0.000 0.220 816 Q C -0.155 175.730 176.000 -0.193 0.000 0.980 816 Q CA 0.137 55.701 55.803 -0.398 0.000 0.934 816 Q CB -0.004 28.695 28.738 -0.066 0.000 0.979 816 Q HN 0.537 nan 8.270 nan 0.000 0.557 817 V N -0.365 119.437 119.914 -0.186 0.000 3.127 817 V HA -0.234 3.886 4.120 0.000 0.000 0.214 817 V C 0.492 176.567 176.094 -0.033 0.000 2.180 817 V CA 1.509 63.771 62.300 -0.063 0.000 1.936 817 V CB -0.256 31.499 31.823 -0.113 0.000 0.902 817 V HN 0.469 nan 8.190 nan 0.000 0.455 818 G N 4.152 112.939 108.800 -0.022 0.000 2.413 818 G HA2 0.531 4.491 3.960 0.000 0.000 0.285 818 G HA3 0.531 4.491 3.960 0.000 0.000 0.285 818 G C -0.107 174.473 174.900 -0.534 0.000 1.337 818 G CA -0.344 44.666 45.100 -0.150 0.000 1.324 818 G HN 0.861 nan 8.290 nan 0.000 0.611 819 I N 1.477 121.763 120.570 -0.474 0.000 2.830 819 I HA -0.244 3.926 4.170 0.000 0.000 0.271 819 I C 1.610 177.407 176.117 -0.533 0.000 1.231 819 I CA 0.903 61.875 61.300 -0.545 0.000 1.444 819 I CB -0.609 37.206 38.000 -0.309 0.000 1.122 819 I HN 0.419 nan 8.210 nan 0.000 0.477 820 L N 1.580 122.529 121.223 -0.457 0.000 2.974 820 L HA 0.162 4.502 4.340 0.000 0.000 0.250 820 L C 0.598 177.453 176.870 -0.025 0.000 1.376 820 L CA 0.444 55.189 54.840 -0.158 0.000 1.170 820 L CB -2.011 40.060 42.059 0.019 0.000 1.577 820 L HN 0.596 nan 8.230 nan 0.000 0.429 821 H N -3.348 115.725 119.070 0.004 0.000 5.055 821 H HA -0.027 4.529 4.556 0.000 0.000 0.168 821 H C -0.780 174.576 175.328 0.048 0.000 1.359 821 H CA -0.827 55.281 56.048 0.101 0.000 0.632 821 H CB -0.703 29.110 29.762 0.085 0.000 1.669 821 H HN 0.073 nan 8.280 nan 0.000 0.341 822 Q N 2.451 122.529 119.800 0.464 0.000 2.434 822 Q HA -0.223 4.117 4.340 0.000 0.000 0.268 822 Q C -0.810 175.333 176.000 0.237 0.000 1.273 822 Q CA 1.066 57.000 55.803 0.218 0.000 0.861 822 Q CB -1.649 26.912 28.738 -0.296 0.000 0.952 822 Q HN 0.889 nan 8.270 nan 0.000 0.301 823 H N 1.509 120.691 119.070 0.186 0.000 2.788 823 H HA 0.405 4.961 4.556 0.000 0.000 0.254 823 H C -0.698 174.743 175.328 0.188 0.000 1.541 823 H CA -0.892 55.268 56.048 0.186 0.000 1.295 823 H CB 0.420 30.263 29.762 0.135 0.000 1.592 823 H HN 0.476 nan 8.280 nan 0.000 0.545 824 N N 3.738 122.571 118.700 0.223 0.000 2.444 824 N HA 0.061 4.801 4.740 0.000 0.000 0.271 824 N C -0.760 174.849 175.510 0.166 0.000 1.069 824 N CA -0.043 53.060 53.050 0.088 0.000 0.965 824 N CB 0.174 38.605 38.487 -0.092 0.000 1.092 824 N HN 0.601 nan 8.380 nan 0.000 0.476 825 N N 1.198 119.984 118.700 0.143 0.000 3.886 825 N HA -0.176 4.564 4.740 0.000 0.000 0.294 825 N C -1.669 173.767 175.510 -0.123 0.000 2.109 825 N CA 0.564 53.709 53.050 0.157 0.000 2.630 825 N CB -0.808 37.972 38.487 0.488 0.000 0.502 825 N HN 0.481 nan 8.380 nan 0.000 0.624 826 S N 0.102 115.444 115.700 -0.595 0.000 2.546 826 S HA 0.797 5.267 4.470 0.000 0.000 0.274 826 S C 1.066 175.267 174.600 -0.665 0.000 1.121 826 S CA 0.192 58.169 58.200 -0.373 0.000 0.887 826 S CB 2.041 65.215 63.200 -0.043 0.000 1.094 826 S HN 1.260 nan 8.310 nan 0.000 0.474 827 G N 0.999 109.619 108.800 -0.300 0.000 2.195 827 G HA2 -0.251 3.709 3.960 0.000 0.000 0.246 827 G HA3 -0.251 3.709 3.960 0.000 0.000 0.246 827 G C 0.298 175.213 174.900 0.025 0.000 0.984 827 G CA 0.642 45.640 45.100 -0.170 0.000 0.633 827 G HN 0.548 nan 8.290 nan 0.000 0.525 828 F N 0.470 120.446 119.950 0.044 0.000 2.482 828 F HA 0.422 4.949 4.527 0.000 0.000 0.278 828 F C 1.442 177.259 175.800 0.029 0.000 0.969 828 F CA -0.210 57.807 58.000 0.028 0.000 1.223 828 F CB -0.812 38.206 39.000 0.029 0.000 1.140 828 F HN 0.100 nan 8.300 nan 0.000 0.672 829 V N 1.255 121.304 119.914 0.224 0.000 2.364 829 V HA 0.630 4.750 4.120 0.000 0.000 0.272 829 V C 0.739 176.889 176.094 0.094 0.000 1.036 829 V CA -1.166 61.217 62.300 0.139 0.000 0.880 829 V CB 0.076 31.980 31.823 0.136 0.000 0.991 829 V HN 0.317 nan 8.190 nan 0.000 0.460 830 G N 2.447 111.293 108.800 0.076 0.000 2.491 830 G HA2 0.116 4.076 3.960 0.000 0.000 0.238 830 G HA3 0.116 4.076 3.960 0.000 0.000 0.238 830 G C -0.210 174.754 174.900 0.106 0.000 1.277 830 G CA -0.305 44.835 45.100 0.066 0.000 0.851 830 G HN 0.776 nan 8.290 nan 0.000 0.573 831 Y N 2.417 122.703 120.300 -0.023 0.000 2.597 831 Y HA -0.126 4.424 4.550 0.000 0.000 0.425 831 Y C 1.395 177.311 175.900 0.027 0.000 1.388 831 Y CA 0.381 58.476 58.100 -0.007 0.000 1.889 831 Y CB -1.002 37.433 38.460 -0.042 0.000 1.289 831 Y HN 0.444 nan 8.280 nan 0.000 0.431 832 L N 3.496 124.600 121.223 -0.199 0.000 3.443 832 L HA -0.210 4.130 4.340 0.000 0.000 0.564 832 L C 0.229 177.069 176.870 -0.049 0.000 1.010 832 L CA 0.985 55.723 54.840 -0.170 0.000 1.131 832 L CB -1.760 40.099 42.059 -0.333 0.000 1.030 832 L HN 0.893 nan 8.230 nan 0.000 0.641 833 A N 2.947 125.770 122.820 0.006 0.000 1.042 833 A HA 0.422 4.742 4.320 0.000 0.000 0.198 833 A C -2.582 175.033 177.584 0.052 0.000 0.907 833 A CA -0.927 51.144 52.037 0.056 0.000 0.561 833 A CB 0.024 19.139 19.000 0.193 0.000 0.427 833 A HN 0.286 nan 8.150 nan 0.000 0.322 834 P HA 0.054 nan 4.420 nan 0.000 0.248 834 P C 0.995 178.320 177.300 0.041 0.000 1.553 834 P CA 1.274 64.411 63.100 0.062 0.000 0.901 834 P CB -0.424 31.339 31.700 0.104 0.000 1.816 835 T N -1.726 112.849 114.554 0.034 0.000 5.079 835 T HA 0.185 4.535 4.350 0.000 0.000 0.289 835 T C 0.671 175.371 174.700 -0.000 0.000 0.923 835 T CA -0.219 61.886 62.100 0.008 0.000 1.458 835 T CB 0.079 68.934 68.868 -0.021 0.000 1.841 835 T HN 0.052 nan 8.240 nan 0.000 0.357 836 M N 2.425 122.017 119.600 -0.014 0.000 2.294 836 M HA 0.300 4.780 4.480 0.000 0.000 0.335 836 M C -0.009 176.293 176.300 0.004 0.000 1.079 836 M CA -0.803 54.492 55.300 -0.009 0.000 0.982 836 M CB 1.428 34.014 32.600 -0.024 0.000 1.651 836 M HN 0.497 nan 8.290 nan 0.000 0.437 837 R N 3.410 123.925 120.500 0.025 0.000 4.662 837 R HA -0.136 4.204 4.340 0.000 0.000 0.189 837 R C -1.133 175.173 176.300 0.010 0.000 0.345 837 R CA 0.858 56.982 56.100 0.040 0.000 0.933 837 R CB -0.782 29.553 30.300 0.059 0.000 0.923 837 R HN 0.616 nan 8.270 nan 0.000 0.272 838 E N 2.030 122.234 120.200 0.007 0.000 2.167 838 E HA 0.408 4.758 4.350 0.000 0.000 0.284 838 E C 0.568 177.154 176.600 -0.024 0.000 1.016 838 E CA 0.652 57.043 56.400 -0.014 0.000 0.817 838 E CB 1.413 31.109 29.700 -0.007 0.000 1.080 838 E HN 0.828 nan 8.360 nan 0.000 0.397 839 G N 3.051 111.825 108.800 -0.043 0.000 2.601 839 G HA2 -0.265 3.695 3.960 0.000 0.000 0.224 839 G HA3 -0.265 3.695 3.960 0.000 0.000 0.224 839 G C 0.075 174.948 174.900 -0.045 0.000 1.171 839 G CA 0.221 45.288 45.100 -0.056 0.000 1.009 839 G HN 0.569 nan 8.290 nan 0.000 0.589 840 Q N -1.245 118.527 119.800 -0.046 0.000 3.011 840 Q HA 0.727 5.067 4.340 0.000 0.000 0.223 840 Q C 0.080 176.042 176.000 -0.064 0.000 1.127 840 Q CA 0.042 55.831 55.803 -0.024 0.000 0.412 840 Q CB 1.156 29.905 28.738 0.018 0.000 5.323 840 Q HN 2.250 nan 8.270 nan 0.000 0.286 841 A N 0.023 122.847 122.820 0.007 0.000 2.500 841 A HA 0.671 4.991 4.320 0.000 0.000 0.288 841 A C -2.184 175.444 177.584 0.075 0.000 1.045 841 A CA -0.275 51.715 52.037 -0.078 0.000 0.830 841 A CB 0.929 19.850 19.000 -0.131 0.000 1.337 841 A HN 0.487 nan 8.150 nan 0.000 0.400 842 Y N 3.116 123.396 120.300 -0.034 0.000 2.482 842 Y HA 0.492 5.042 4.550 0.000 0.000 0.334 842 Y C -2.043 173.862 175.900 0.008 0.000 1.091 842 Y CA -1.188 56.948 58.100 0.061 0.000 1.027 842 Y CB 2.702 41.306 38.460 0.240 0.000 1.306 842 Y HN 0.539 nan 8.280 nan 0.000 0.446 843 P HA -0.007 nan 4.420 nan 0.000 0.202 843 P C 0.086 177.323 177.300 -0.104 0.000 1.189 843 P CA 2.389 65.470 63.100 -0.033 0.000 0.921 843 P CB 0.194 31.857 31.700 -0.062 0.000 0.756 844 A N -0.399 122.346 122.820 -0.124 0.000 5.816 844 A HA -0.155 4.165 4.320 0.000 0.000 0.220 844 A C -0.218 177.260 177.584 -0.177 0.000 2.436 844 A CA 0.376 52.239 52.037 -0.289 0.000 0.699 844 A CB -2.668 15.700 19.000 -1.054 0.000 0.823 844 A HN 0.607 nan 8.150 nan 0.000 0.327 845 N N -0.022 118.582 118.700 -0.159 0.000 2.645 845 N HA 0.617 5.357 4.740 0.000 0.000 0.233 845 N C -0.730 174.844 175.510 0.106 0.000 1.058 845 N CA 0.200 53.233 53.050 -0.030 0.000 0.942 845 N CB 0.746 39.236 38.487 0.004 0.000 1.210 845 N HN 1.232 nan 8.380 nan 0.000 0.512 846 F N 2.145 122.020 119.950 -0.125 0.000 3.484 846 F HA 0.162 4.689 4.527 0.000 0.000 0.332 846 F C -2.878 172.745 175.800 -0.295 0.000 0.972 846 F CA -1.146 56.765 58.000 -0.148 0.000 1.503 846 F CB 1.103 40.020 39.000 -0.138 0.000 1.805 846 F HN 0.409 nan 8.300 nan 0.000 0.848 847 P HA 0.343 nan 4.420 nan 0.000 0.348 847 P C -1.678 175.705 177.300 0.138 0.000 1.239 847 P CA -0.452 62.772 63.100 0.205 0.000 0.783 847 P CB 1.291 33.081 31.700 0.151 0.000 1.515 848 Y N 0.041 120.355 120.300 0.024 0.000 2.454 848 Y HA 0.337 4.887 4.550 0.000 0.000 0.345 848 Y C -1.594 174.314 175.900 0.014 0.000 0.970 848 Y CA -1.703 56.409 58.100 0.019 0.000 1.204 848 Y CB -0.002 38.487 38.460 0.050 0.000 1.122 848 Y HN 0.148 nan 8.280 nan 0.000 0.514 849 P HA -0.016 nan 4.420 nan 0.000 0.262 849 P C 0.400 177.733 177.300 0.056 0.000 1.199 849 P CA 0.267 63.374 63.100 0.011 0.000 0.763 849 P CB 0.880 32.551 31.700 -0.048 0.000 0.790 850 L N 2.941 124.194 121.223 0.051 0.000 2.286 850 L HA 0.178 4.518 4.340 0.000 0.000 0.203 850 L C 0.870 177.759 176.870 0.031 0.000 1.068 850 L CA 0.441 55.313 54.840 0.054 0.000 0.811 850 L CB 0.185 42.266 42.059 0.037 0.000 0.989 850 L HN 0.276 nan 8.230 nan 0.000 0.467 851 I N -1.214 119.366 120.570 0.016 0.000 2.970 851 I HA 0.589 4.759 4.170 0.000 0.000 0.310 851 I C 0.909 177.029 176.117 0.007 0.000 1.010 851 I CA 0.137 61.444 61.300 0.010 0.000 1.228 851 I CB 0.858 38.861 38.000 0.006 0.000 1.433 851 I HN 0.233 nan 8.210 nan 0.000 0.573 852 G N 2.284 111.088 108.800 0.006 0.000 2.545 852 G HA2 -0.170 3.790 3.960 0.000 0.000 0.211 852 G HA3 -0.170 3.790 3.960 0.000 0.000 0.211 852 G C 0.167 175.070 174.900 0.006 0.000 1.167 852 G CA -0.222 44.880 45.100 0.004 0.000 1.151 852 G HN 0.610 nan 8.290 nan 0.000 0.581 853 K N 1.184 121.586 120.400 0.004 0.000 2.372 853 K HA 0.295 4.615 4.320 0.000 0.000 0.200 853 K C 0.080 176.686 176.600 0.008 0.000 1.022 853 K CA 0.655 56.946 56.287 0.005 0.000 1.125 853 K CB 0.238 32.739 32.500 0.002 0.000 0.855 853 K HN 0.527 nan 8.250 nan 0.000 0.524 854 T N 0.316 114.877 114.554 0.011 0.000 2.799 854 T HA 0.391 4.741 4.350 0.000 0.000 0.286 854 T C -0.057 174.662 174.700 0.031 0.000 0.973 854 T CA -0.704 61.407 62.100 0.019 0.000 1.035 854 T CB 1.849 70.727 68.868 0.016 0.000 0.932 854 T HN 0.027 nan 8.240 nan 0.000 0.469 855 A N 3.498 126.341 122.820 0.039 0.000 3.158 855 A HA 0.591 4.911 4.320 0.000 0.000 0.319 855 A C 0.546 178.174 177.584 0.072 0.000 1.204 855 A CA -0.766 51.298 52.037 0.046 0.000 0.992 855 A CB -0.581 18.440 19.000 0.035 0.000 1.110 855 A HN 0.791 nan 8.150 nan 0.000 0.519 856 V N -1.166 118.808 119.914 0.101 0.000 3.385 856 V HA 0.269 4.389 4.120 0.000 0.000 0.301 856 V C 0.022 176.208 176.094 0.153 0.000 1.082 856 V CA -0.898 61.506 62.300 0.175 0.000 1.085 856 V CB 0.551 32.530 31.823 0.260 0.000 1.152 856 V HN 0.563 nan 8.190 nan 0.000 0.465 857 D N 1.722 122.269 120.400 0.244 0.000 2.631 857 D HA 0.324 4.964 4.640 0.000 0.000 0.227 857 D C 0.322 176.448 176.300 -0.290 0.000 1.146 857 D CA 0.076 54.088 54.000 0.020 0.000 1.009 857 D CB 0.327 41.200 40.800 0.123 0.000 1.057 857 D HN 0.724 nan 8.370 nan 0.000 0.509 858 S N 0.237 115.848 115.700 -0.147 0.000 2.998 858 S HA 0.789 5.259 4.470 0.000 0.000 0.307 858 S C 0.293 174.831 174.600 -0.103 0.000 1.063 858 S CA -0.705 57.395 58.200 -0.167 0.000 0.895 858 S CB 2.200 65.347 63.200 -0.088 0.000 1.362 858 S HN 0.391 nan 8.310 nan 0.000 0.657 859 I N -1.250 119.273 120.570 -0.079 0.000 3.216 859 I HA 0.351 4.521 4.170 0.000 0.000 0.265 859 I C -1.785 174.307 176.117 -0.042 0.000 0.732 859 I CA -0.446 60.822 61.300 -0.053 0.000 2.521 859 I CB 0.528 38.495 38.000 -0.055 0.000 1.258 859 I HN 0.797 nan 8.210 nan 0.000 0.453 860 T N 1.010 115.545 114.554 -0.031 0.000 2.864 860 T HA 0.497 4.847 4.350 0.000 0.000 0.299 860 T C -1.188 173.509 174.700 -0.004 0.000 1.166 860 T CA -0.215 61.873 62.100 -0.020 0.000 1.007 860 T CB 1.895 70.765 68.868 0.004 0.000 1.219 860 T HN 0.508 nan 8.240 nan 0.000 0.506 861 Q N 0.822 120.626 119.800 0.007 0.000 2.409 861 Q HA 0.298 4.638 4.340 0.000 0.000 0.345 861 Q C -0.294 175.846 176.000 0.232 0.000 0.847 861 Q CA -0.323 55.523 55.803 0.071 0.000 1.092 861 Q CB -0.097 28.628 28.738 -0.020 0.000 1.377 861 Q HN 0.528 nan 8.270 nan 0.000 0.399 862 K N 1.177 121.693 120.400 0.192 0.000 2.186 862 K HA -0.050 4.270 4.320 0.000 0.000 0.250 862 K C -0.343 176.439 176.600 0.303 0.000 1.044 862 K CA 0.934 57.367 56.287 0.243 0.000 0.795 862 K CB 0.230 32.825 32.500 0.157 0.000 1.052 862 K HN 0.406 nan 8.250 nan 0.000 0.535 863 K N 0.299 120.838 120.400 0.232 0.000 2.575 863 K HA 0.193 4.513 4.320 0.000 0.000 0.255 863 K C -1.292 175.432 176.600 0.208 0.000 0.953 863 K CA -0.760 55.616 56.287 0.149 0.000 0.840 863 K CB 0.657 33.068 32.500 -0.149 0.000 1.303 863 K HN 0.548 nan 8.250 nan 0.000 0.438 864 F N 2.835 122.822 119.950 0.062 0.000 2.404 864 F HA 0.626 5.153 4.527 0.000 0.000 0.358 864 F C -1.182 174.719 175.800 0.168 0.000 1.120 864 F CA -0.966 57.124 58.000 0.150 0.000 1.144 864 F CB 0.984 40.115 39.000 0.218 0.000 1.133 864 F HN 0.488 nan 8.300 nan 0.000 0.495 865 L N 6.651 127.967 121.223 0.155 0.000 2.362 865 L HA 0.732 5.072 4.340 0.000 0.000 0.271 865 L C -1.421 175.628 176.870 0.298 0.000 1.002 865 L CA -0.356 54.524 54.840 0.066 0.000 0.818 865 L CB 1.920 43.944 42.059 -0.060 0.000 1.298 865 L HN 1.057 nan 8.230 nan 0.000 0.420 866 C N 4.041 123.502 119.300 0.268 0.000 2.698 866 C HA 0.631 5.091 4.460 0.000 0.000 0.309 866 C C -0.319 174.758 174.990 0.146 0.000 1.186 866 C CA -0.349 58.878 59.018 0.348 0.000 1.474 866 C CB 1.289 29.018 27.740 -0.019 0.000 2.020 866 C HN 1.021 nan 8.230 nan 0.000 0.474 867 D N 1.716 122.210 120.400 0.156 0.000 3.600 867 D HA 0.235 4.875 4.640 0.000 0.000 0.192 867 D C 1.461 177.773 176.300 0.019 0.000 1.100 867 D CA -0.216 53.874 54.000 0.150 0.000 1.334 867 D CB 0.523 41.484 40.800 0.268 0.000 0.959 867 D HN 0.649 nan 8.370 nan 0.000 0.221 868 R N 0.774 121.290 120.500 0.026 0.000 2.081 868 R HA -0.045 4.295 4.340 0.000 0.000 0.235 868 R C 1.422 177.615 176.300 -0.179 0.000 1.131 868 R CA 0.802 56.834 56.100 -0.112 0.000 0.960 868 R CB -1.434 28.807 30.300 -0.097 0.000 0.856 868 R HN 0.197 nan 8.270 nan 0.000 0.436 869 T N 1.061 115.548 114.554 -0.112 0.000 2.813 869 T HA 0.271 4.621 4.350 0.000 0.000 0.297 869 T C 0.165 174.729 174.700 -0.226 0.000 1.036 869 T CA -0.530 61.523 62.100 -0.079 0.000 1.044 869 T CB 0.571 69.451 68.868 0.019 0.000 0.993 869 T HN -0.004 nan 8.240 nan 0.000 0.535 870 L N 2.602 123.767 121.223 -0.096 0.000 2.387 870 L HA 0.383 4.723 4.340 0.000 0.000 0.266 870 L C 0.290 177.318 176.870 0.264 0.000 1.059 870 L CA -0.630 54.127 54.840 -0.139 0.000 0.801 870 L CB 1.433 43.437 42.059 -0.092 0.000 1.223 870 L HN 0.932 nan 8.230 nan 0.000 0.456 871 W N 2.628 123.849 121.300 -0.132 0.000 3.043 871 W HA 0.121 4.781 4.660 0.000 0.000 0.435 871 W C 0.671 177.312 176.519 0.203 0.000 0.851 871 W CA -0.883 56.446 57.345 -0.026 0.000 2.031 871 W CB 0.047 29.259 29.460 -0.414 0.000 0.919 871 W HN 0.326 nan 8.180 nan 0.000 0.796 872 R N 1.978 122.759 120.500 0.468 0.000 2.507 872 R HA 0.055 4.395 4.340 0.000 0.000 0.341 872 R C -0.348 176.193 176.300 0.402 0.000 0.960 872 R CA 0.676 56.996 56.100 0.367 0.000 1.032 872 R CB -0.203 30.264 30.300 0.279 0.000 0.933 872 R HN 0.230 nan 8.270 nan 0.000 0.418 873 I N 7.759 128.600 120.570 0.452 0.000 2.382 873 I HA 0.228 4.398 4.170 0.000 0.000 0.286 873 I C -1.575 174.890 176.117 0.579 0.000 1.002 873 I CA -2.263 59.382 61.300 0.575 0.000 1.135 873 I CB 1.817 40.210 38.000 0.656 0.000 1.288 873 I HN 0.285 nan 8.210 nan 0.000 0.448 874 P HA 0.051 nan 4.420 nan 0.000 0.309 874 P C 0.205 177.616 177.300 0.185 0.000 1.423 874 P CA 0.916 64.164 63.100 0.247 0.000 0.814 874 P CB 0.961 32.788 31.700 0.211 0.000 1.900 875 F N -2.473 117.244 119.950 -0.389 0.000 1.806 875 F HA 0.080 4.607 4.527 0.000 0.000 0.245 875 F C 1.021 176.473 175.800 -0.581 0.000 1.158 875 F CA 0.620 58.290 58.000 -0.550 0.000 1.289 875 F CB -1.033 37.758 39.000 -0.349 0.000 1.718 875 F HN 0.031 nan 8.300 nan 0.000 0.480 876 S N 0.640 116.231 115.700 -0.183 0.000 2.594 876 S HA -0.128 4.342 4.470 0.000 0.000 0.259 876 S C 1.339 175.949 174.600 0.017 0.000 1.399 876 S CA 0.447 58.599 58.200 -0.079 0.000 0.985 876 S CB -0.060 63.165 63.200 0.042 0.000 0.870 876 S HN 0.263 nan 8.310 nan 0.000 0.542 877 S N 0.892 116.671 115.700 0.133 0.000 2.419 877 S HA -0.081 4.389 4.470 0.000 0.000 0.233 877 S C 1.704 176.521 174.600 0.363 0.000 1.016 877 S CA 1.070 59.416 58.200 0.243 0.000 0.974 877 S CB -0.574 62.693 63.200 0.111 0.000 0.786 877 S HN 0.809 nan 8.310 nan 0.000 0.492 878 N N -0.789 118.108 118.700 0.329 0.000 2.220 878 N HA 0.071 4.811 4.740 0.000 0.000 0.195 878 N C 0.371 176.165 175.510 0.474 0.000 1.123 878 N CA 0.156 53.377 53.050 0.286 0.000 0.874 878 N CB 0.179 38.748 38.487 0.137 0.000 0.995 878 N HN 0.367 nan 8.380 nan 0.000 0.498 879 F N -0.678 119.343 119.950 0.119 0.000 2.546 879 F HA -0.348 4.179 4.527 0.000 0.000 0.676 879 F C 0.746 176.631 175.800 0.142 0.000 0.489 879 F CA 0.622 58.720 58.000 0.163 0.000 0.816 879 F CB -1.347 37.761 39.000 0.180 0.000 1.671 879 F HN 0.027 nan 8.300 nan 0.000 0.264 880 M N 1.072 120.844 119.600 0.287 0.000 2.035 880 M HA -0.263 4.217 4.480 0.000 0.000 0.374 880 M C 1.362 177.745 176.300 0.139 0.000 0.905 880 M CA 1.261 56.669 55.300 0.181 0.000 0.725 880 M CB 0.195 32.877 32.600 0.136 0.000 1.609 880 M HN 0.264 nan 8.290 nan 0.000 0.491 881 S N 2.360 118.127 115.700 0.112 0.000 2.421 881 S HA -0.253 4.217 4.470 0.000 0.000 0.239 881 S C 1.035 175.673 174.600 0.063 0.000 1.054 881 S CA 1.962 60.208 58.200 0.076 0.000 1.035 881 S CB -0.413 62.821 63.200 0.057 0.000 0.840 881 S HN 0.742 nan 8.310 nan 0.000 0.475 882 M N 0.193 119.833 119.600 0.067 0.000 2.164 882 M HA -0.241 4.239 4.480 0.000 0.000 0.196 882 M C 0.530 176.854 176.300 0.041 0.000 0.270 882 M CA 0.612 55.945 55.300 0.054 0.000 0.373 882 M CB -2.096 30.540 32.600 0.060 0.000 1.089 882 M HN 0.542 nan 8.290 nan 0.000 0.940 883 G N -1.442 107.379 108.800 0.035 0.000 2.785 883 G HA2 0.005 3.965 3.960 0.000 0.000 0.685 883 G HA3 0.005 3.965 3.960 0.000 0.000 0.685 883 G C 0.427 175.343 174.900 0.027 0.000 1.480 883 G CA -0.434 44.681 45.100 0.026 0.000 0.915 883 G HN 1.076 nan 8.290 nan 0.000 0.576 884 A N 0.626 123.463 122.820 0.028 0.000 2.054 884 A HA 0.045 4.365 4.320 0.000 0.000 0.223 884 A C 1.530 179.152 177.584 0.063 0.000 1.169 884 A CA 1.944 54.016 52.037 0.058 0.000 0.655 884 A CB -0.173 18.884 19.000 0.096 0.000 0.812 884 A HN 1.160 nan 8.150 nan 0.000 0.462 885 L N 0.481 121.716 121.223 0.020 0.000 2.343 885 L HA 0.421 4.761 4.340 0.000 0.000 0.275 885 L C -0.123 176.775 176.870 0.046 0.000 1.056 885 L CA 0.445 55.294 54.840 0.015 0.000 0.804 885 L CB 1.251 43.296 42.059 -0.023 0.000 1.203 885 L HN 0.309 nan 8.230 nan 0.000 0.440 886 T N -1.519 113.082 114.554 0.078 0.000 2.861 886 T HA 0.132 4.482 4.350 0.000 0.000 0.287 886 T C 0.499 175.254 174.700 0.091 0.000 1.003 886 T CA -0.683 61.472 62.100 0.093 0.000 0.977 886 T CB 1.643 70.596 68.868 0.141 0.000 0.996 886 T HN 0.581 nan 8.240 nan 0.000 0.448 887 D N 1.190 121.625 120.400 0.059 0.000 2.429 887 D HA -0.129 4.511 4.640 0.000 0.000 0.230 887 D C 1.057 177.384 176.300 0.044 0.000 1.005 887 D CA 0.715 54.744 54.000 0.048 0.000 0.963 887 D CB -0.044 40.778 40.800 0.037 0.000 0.872 887 D HN 0.306 nan 8.370 nan 0.000 0.524 888 L N -0.587 120.667 121.223 0.053 0.000 2.445 888 L HA 0.383 4.723 4.340 0.000 0.000 0.207 888 L C 2.350 179.293 176.870 0.122 0.000 1.053 888 L CA 1.317 56.142 54.840 -0.024 0.000 0.841 888 L CB -1.087 40.785 42.059 -0.311 0.000 1.074 888 L HN 0.259 nan 8.230 nan 0.000 0.479 889 G N -0.413 108.637 108.800 0.418 0.000 2.479 889 G HA2 -0.266 3.694 3.960 0.000 0.000 0.220 889 G HA3 -0.266 3.694 3.960 0.000 0.000 0.220 889 G C 1.185 176.225 174.900 0.233 0.000 1.115 889 G CA 0.912 46.278 45.100 0.444 0.000 0.757 889 G HN 0.502 nan 8.290 nan 0.000 0.560 890 Q N -0.722 119.172 119.800 0.156 0.000 2.350 890 Q HA 0.121 4.461 4.340 0.000 0.000 0.225 890 Q C 0.888 176.951 176.000 0.105 0.000 0.878 890 Q CA -0.164 55.706 55.803 0.112 0.000 0.935 890 Q CB 0.078 28.860 28.738 0.072 0.000 1.099 890 Q HN 0.449 nan 8.270 nan 0.000 0.527 891 N N 1.544 120.303 118.700 0.097 0.000 2.380 891 N HA 0.025 4.765 4.740 0.000 0.000 0.292 891 N C -1.308 174.292 175.510 0.150 0.000 1.302 891 N CA 0.228 53.334 53.050 0.093 0.000 1.007 891 N CB 0.021 38.542 38.487 0.057 0.000 1.408 891 N HN 0.110 nan 8.380 nan 0.000 0.487 892 L N 3.674 124.986 121.223 0.148 0.000 2.313 892 L HA 0.430 4.770 4.340 0.000 0.000 0.283 892 L C 0.154 177.103 176.870 0.132 0.000 1.013 892 L CA -0.670 54.286 54.840 0.193 0.000 0.816 892 L CB 1.681 43.829 42.059 0.149 0.000 1.236 892 L HN 0.663 nan 8.230 nan 0.000 0.419 893 L N 1.826 123.126 121.223 0.129 0.000 3.794 893 L HA 0.301 4.641 4.340 0.000 0.000 0.364 893 L C -1.084 175.544 176.870 -0.404 0.000 1.297 893 L CA 0.336 55.080 54.840 -0.159 0.000 1.130 893 L CB 0.025 41.929 42.059 -0.258 0.000 1.442 893 L HN 0.484 nan 8.230 nan 0.000 0.616 894 Y N -0.093 120.266 120.300 0.099 0.000 2.734 894 Y HA 0.761 5.311 4.550 0.000 0.000 0.251 894 Y C 1.696 177.677 175.900 0.135 0.000 1.049 894 Y CA -0.320 57.872 58.100 0.153 0.000 1.103 894 Y CB -0.035 38.564 38.460 0.232 0.000 1.201 894 Y HN 0.241 nan 8.280 nan 0.000 0.618 895 A N 0.991 123.919 122.820 0.180 0.000 2.892 895 A HA -0.297 4.023 4.320 0.000 0.000 0.300 895 A C 0.985 178.642 177.584 0.122 0.000 0.747 895 A CA 1.568 53.681 52.037 0.128 0.000 1.284 895 A CB -0.703 18.338 19.000 0.069 0.000 0.659 895 A HN 0.543 nan 8.150 nan 0.000 0.469 896 N N 0.662 119.404 118.700 0.069 0.000 2.508 896 N HA 0.374 5.114 4.740 0.000 0.000 0.253 896 N C -0.773 174.740 175.510 0.006 0.000 1.145 896 N CA 0.335 53.404 53.050 0.032 0.000 0.973 896 N CB 0.543 39.036 38.487 0.009 0.000 1.305 896 N HN 0.429 nan 8.380 nan 0.000 0.506 897 S N 0.113 115.806 115.700 -0.010 0.000 2.776 897 S HA 0.860 5.330 4.470 0.000 0.000 0.292 897 S C -1.435 173.014 174.600 -0.251 0.000 1.187 897 S CA -0.614 57.513 58.200 -0.121 0.000 0.834 897 S CB 2.045 65.181 63.200 -0.106 0.000 1.199 897 S HN 0.514 nan 8.310 nan 0.000 0.514 898 A N 2.180 124.741 122.820 -0.431 0.000 2.508 898 A HA 0.592 4.912 4.320 0.000 0.000 0.297 898 A C -1.387 176.094 177.584 -0.171 0.000 1.036 898 A CA -0.684 51.112 52.037 -0.401 0.000 0.957 898 A CB 0.264 18.979 19.000 -0.474 0.000 1.428 898 A HN 0.904 nan 8.150 nan 0.000 0.393 899 H N 1.442 120.747 119.070 0.392 0.000 3.017 899 H HA 0.739 5.295 4.556 0.000 0.000 0.340 899 H C 0.490 175.797 175.328 -0.035 0.000 1.014 899 H CA -0.678 55.466 56.048 0.160 0.000 1.341 899 H CB 1.384 31.218 29.762 0.121 0.000 1.739 899 H HN 1.544 nan 8.280 nan 0.000 0.506 900 A N 2.564 125.396 122.820 0.020 0.000 2.885 900 A HA -0.085 4.235 4.320 0.000 0.000 1.024 900 A C -0.064 177.318 177.584 -0.337 0.000 2.029 900 A CA 0.845 52.802 52.037 -0.133 0.000 3.171 900 A CB -0.128 18.766 19.000 -0.177 0.000 1.635 900 A HN 0.672 nan 8.150 nan 0.000 0.942 901 L N -0.288 120.792 121.223 -0.239 0.000 3.996 901 L HA 0.144 4.484 4.340 0.000 0.000 0.218 901 L C -0.846 175.982 176.870 -0.071 0.000 1.038 901 L CA -0.171 54.569 54.840 -0.168 0.000 1.412 901 L CB -0.406 41.585 42.059 -0.113 0.000 1.786 901 L HN 0.916 nan 8.230 nan 0.000 0.734 902 D N 2.938 123.293 120.400 -0.076 0.000 2.197 902 D HA 0.747 5.387 4.640 0.000 0.000 0.290 902 D C 0.877 177.091 176.300 -0.143 0.000 1.145 902 D CA 0.093 54.041 54.000 -0.086 0.000 1.061 902 D CB 0.351 41.099 40.800 -0.087 0.000 1.151 902 D HN 0.364 nan 8.370 nan 0.000 0.504 903 M N -1.767 117.694 119.600 -0.231 0.000 2.567 903 M HA 0.130 4.610 4.480 0.000 0.000 0.191 903 M C -1.804 174.088 176.300 -0.680 0.000 0.693 903 M CA -0.456 54.576 55.300 -0.447 0.000 0.908 903 M CB -0.424 31.900 32.600 -0.460 0.000 1.668 903 M HN 0.327 nan 8.290 nan 0.000 0.624 904 T N 2.772 116.852 114.554 -0.790 0.000 2.942 904 T HA 0.958 5.308 4.350 0.000 0.000 0.289 904 T C -1.670 172.474 174.700 -0.928 0.000 1.044 904 T CA -0.278 61.415 62.100 -0.678 0.000 1.023 904 T CB 1.135 69.833 68.868 -0.283 0.000 1.123 904 T HN 0.575 nan 8.240 nan 0.000 0.512 905 F N 1.418 121.365 119.950 -0.005 0.000 2.689 905 F HA 0.318 4.845 4.527 0.000 0.000 0.332 905 F C 0.420 176.242 175.800 0.037 0.000 1.209 905 F CA -0.869 57.146 58.000 0.024 0.000 1.028 905 F CB 2.014 41.035 39.000 0.035 0.000 1.291 905 F HN 0.532 nan 8.300 nan 0.000 0.500 906 E N 3.476 123.815 120.200 0.232 0.000 2.364 906 E HA 0.162 4.512 4.350 0.000 0.000 0.270 906 E C 0.911 177.608 176.600 0.163 0.000 1.398 906 E CA -0.194 56.299 56.400 0.156 0.000 1.721 906 E CB 0.474 30.246 29.700 0.120 0.000 1.525 906 E HN 0.541 nan 8.360 nan 0.000 0.446 907 V N -0.723 119.293 119.914 0.171 0.000 2.149 907 V HA -0.131 3.989 4.120 0.000 0.000 0.128 907 V C 0.692 176.848 176.094 0.104 0.000 0.740 907 V CA 0.799 63.176 62.300 0.128 0.000 1.267 907 V CB -0.167 31.691 31.823 0.058 0.000 0.762 907 V HN 0.346 nan 8.190 nan 0.000 0.433 908 D N -1.438 119.004 120.400 0.070 0.000 2.732 908 D HA 0.390 5.030 4.640 0.000 0.000 0.292 908 D C -2.942 173.390 176.300 0.052 0.000 1.135 908 D CA -1.952 52.091 54.000 0.072 0.000 1.071 908 D CB 0.206 41.059 40.800 0.088 0.000 1.457 908 D HN 0.428 nan 8.370 nan 0.000 0.547 909 P HA -0.011 nan 4.420 nan 0.000 0.238 909 P C 0.408 177.728 177.300 0.034 0.000 1.649 909 P CA -0.184 62.944 63.100 0.047 0.000 0.960 909 P CB -0.369 31.364 31.700 0.055 0.000 1.911 910 M N 2.071 121.683 119.600 0.019 0.000 3.274 910 M HA -0.080 4.400 4.480 0.000 0.000 0.283 910 M C -0.009 176.296 176.300 0.009 0.000 1.752 910 M CA 0.859 56.159 55.300 0.001 0.000 1.639 910 M CB -1.450 31.139 32.600 -0.018 0.000 1.661 910 M HN 0.120 nan 8.290 nan 0.000 0.488 911 D N 2.988 123.397 120.400 0.016 0.000 1.828 911 D HA -0.250 4.390 4.640 0.000 0.000 0.322 911 D C -0.050 176.258 176.300 0.013 0.000 1.531 911 D CA 1.815 55.826 54.000 0.017 0.000 1.256 911 D CB -0.218 40.593 40.800 0.019 0.000 2.349 911 D HN 0.682 nan 8.370 nan 0.000 0.729 912 E N 1.443 121.650 120.200 0.011 0.000 2.344 912 E HA 0.256 4.606 4.350 0.000 0.000 0.270 912 E C -2.348 174.254 176.600 0.002 0.000 1.021 912 E CA -1.616 54.791 56.400 0.011 0.000 0.887 912 E CB -0.251 29.458 29.700 0.015 0.000 0.997 912 E HN 0.075 nan 8.360 nan 0.000 0.429 913 P HA -0.180 nan 4.420 nan 0.000 0.271 913 P C -0.436 176.854 177.300 -0.016 0.000 1.179 913 P CA 0.732 63.833 63.100 0.001 0.000 0.766 913 P CB 0.221 31.927 31.700 0.009 0.000 0.789 914 T N -0.519 114.023 114.554 -0.020 0.000 3.579 914 T HA 0.431 4.781 4.350 0.000 0.000 0.360 914 T C -0.262 174.429 174.700 -0.016 0.000 1.285 914 T CA -0.979 61.097 62.100 -0.041 0.000 1.127 914 T CB -0.065 68.758 68.868 -0.076 0.000 1.244 914 T HN 0.106 nan 8.240 nan 0.000 0.476 915 L N 2.165 123.385 121.223 -0.005 0.000 2.464 915 L HA 0.677 5.017 4.340 0.000 0.000 0.224 915 L C 0.066 176.982 176.870 0.076 0.000 1.219 915 L CA -1.157 53.717 54.840 0.056 0.000 0.831 915 L CB 0.195 42.284 42.059 0.049 0.000 1.284 915 L HN 0.668 nan 8.230 nan 0.000 0.522 916 L N -0.480 120.860 121.223 0.194 0.000 2.386 916 L HA 0.359 4.699 4.340 0.000 0.000 0.271 916 L C -1.116 175.974 176.870 0.367 0.000 0.993 916 L CA -0.346 54.624 54.840 0.217 0.000 0.819 916 L CB 1.730 43.878 42.059 0.148 0.000 1.294 916 L HN 0.276 nan 8.230 nan 0.000 0.414 917 Y N 5.781 126.175 120.300 0.157 0.000 2.518 917 Y HA 0.547 5.097 4.550 0.000 0.000 0.344 917 Y C -0.629 175.421 175.900 0.250 0.000 0.982 917 Y CA -0.879 57.328 58.100 0.178 0.000 1.234 917 Y CB 0.800 39.336 38.460 0.126 0.000 1.114 917 Y HN 0.404 nan 8.280 nan 0.000 0.515 918 V N 5.395 125.295 119.914 -0.023 0.000 2.483 918 V HA 0.768 4.888 4.120 0.000 0.000 0.295 918 V C -1.292 174.703 176.094 -0.165 0.000 1.035 918 V CA -0.870 61.445 62.300 0.025 0.000 0.896 918 V CB 1.635 33.661 31.823 0.339 0.000 0.986 918 V HN 0.572 nan 8.190 nan 0.000 0.447 919 L N 4.769 125.933 121.223 -0.099 0.000 2.350 919 L HA 0.839 5.179 4.340 0.000 0.000 0.260 919 L C -0.894 176.038 176.870 0.103 0.000 1.015 919 L CA -0.451 54.284 54.840 -0.176 0.000 0.821 919 L CB 2.361 44.242 42.059 -0.298 0.000 1.370 919 L HN 0.837 nan 8.230 nan 0.000 0.416 920 F N -1.277 118.561 119.950 -0.188 0.000 2.612 920 F HA 0.482 5.009 4.527 0.000 0.000 0.332 920 F C 0.114 175.448 175.800 -0.776 0.000 1.167 920 F CA -0.779 56.906 58.000 -0.525 0.000 0.970 920 F CB 0.776 39.468 39.000 -0.514 0.000 1.234 920 F HN 0.410 nan 8.300 nan 0.000 0.453 921 E N 2.728 122.483 120.200 -0.742 0.000 3.057 921 E HA 0.052 4.402 4.350 0.000 0.000 0.314 921 E C 0.651 176.824 176.600 -0.712 0.000 1.433 921 E CA -0.232 55.784 56.400 -0.641 0.000 1.546 921 E CB 0.318 29.739 29.700 -0.466 0.000 1.224 921 E HN 0.606 nan 8.360 nan 0.000 0.483 922 V N 0.373 119.940 119.914 -0.578 0.000 3.799 922 V HA 0.138 4.258 4.120 0.000 0.000 0.273 922 V C -0.316 175.622 176.094 -0.260 0.000 0.973 922 V CA 0.190 62.321 62.300 -0.282 0.000 0.979 922 V CB 0.606 32.419 31.823 -0.017 0.000 1.242 922 V HN 0.347 nan 8.190 nan 0.000 0.426 923 F N 0.950 120.877 119.950 -0.039 0.000 2.810 923 F HA 0.406 4.933 4.527 0.000 0.000 0.373 923 F C -0.889 174.967 175.800 0.092 0.000 1.174 923 F CA -1.047 56.952 58.000 -0.003 0.000 1.141 923 F CB 0.940 39.941 39.000 0.003 0.000 1.420 923 F HN 0.526 nan 8.300 nan 0.000 0.518 924 D N 3.654 124.224 120.400 0.282 0.000 2.393 924 D HA 0.395 5.035 4.640 0.000 0.000 0.232 924 D C -0.545 176.243 176.300 0.813 0.000 1.192 924 D CA 0.105 54.377 54.000 0.452 0.000 0.882 924 D CB 1.590 42.624 40.800 0.390 0.000 1.038 924 D HN 0.072 nan 8.370 nan 0.000 0.499 925 V N 3.242 123.520 119.914 0.607 0.000 2.757 925 V HA 0.123 4.243 4.120 0.000 0.000 0.262 925 V C -0.349 175.590 176.094 -0.259 0.000 0.971 925 V CA -0.601 61.978 62.300 0.466 0.000 0.906 925 V CB 1.603 33.755 31.823 0.548 0.000 1.056 925 V HN 0.291 nan 8.190 nan 0.000 0.489 926 V N 3.927 123.123 119.914 -1.197 0.000 3.093 926 V HA 0.541 4.661 4.120 0.000 0.000 0.320 926 V C 0.558 176.250 176.094 -0.671 0.000 1.093 926 V CA -0.982 60.879 62.300 -0.732 0.000 1.016 926 V CB 2.370 33.900 31.823 -0.488 0.000 1.096 926 V HN 0.640 nan 8.190 nan 0.000 0.452 927 R N 1.463 121.795 120.500 -0.280 0.000 2.291 927 R HA 0.228 4.568 4.340 0.000 0.000 0.333 927 R C -0.808 175.494 176.300 0.003 0.000 1.082 927 R CA -0.231 55.797 56.100 -0.120 0.000 0.948 927 R CB 0.683 30.933 30.300 -0.083 0.000 1.009 927 R HN 0.577 nan 8.270 nan 0.000 0.460 928 V N 3.674 123.651 119.914 0.104 0.000 2.400 928 V HA 0.074 4.194 4.120 0.000 0.000 0.263 928 V C 0.663 176.890 176.094 0.222 0.000 1.026 928 V CA 0.155 62.583 62.300 0.213 0.000 1.077 928 V CB -0.499 31.529 31.823 0.341 0.000 1.054 928 V HN 0.723 nan 8.190 nan 0.000 0.477 929 H N 5.561 124.671 119.070 0.068 0.000 3.043 929 H HA 0.744 5.300 4.556 0.000 0.000 0.302 929 H C -0.574 174.788 175.328 0.057 0.000 1.506 929 H CA -1.311 54.767 56.048 0.049 0.000 1.282 929 H CB 1.996 31.768 29.762 0.017 0.000 1.914 929 H HN 0.552 nan 8.280 nan 0.000 0.625 930 R N 1.988 121.979 120.500 -0.849 0.000 3.283 930 R HA 0.087 4.427 4.340 0.000 0.000 0.306 930 R C -3.212 172.755 176.300 -0.555 0.000 0.914 930 R CA -0.939 54.837 56.100 -0.540 0.000 0.987 930 R CB 0.994 31.219 30.300 -0.126 0.000 1.407 930 R HN 0.420 nan 8.270 nan 0.000 0.382 931 P HA -0.067 nan 4.420 nan 0.000 0.286 931 P C 0.710 177.951 177.300 -0.098 0.000 1.394 931 P CA 0.362 63.293 63.100 -0.283 0.000 0.763 931 P CB 0.071 31.546 31.700 -0.375 0.000 1.632 932 H N -0.429 118.620 119.070 -0.035 0.000 1.832 932 H HA -0.145 4.411 4.556 0.000 0.000 0.112 932 H C 0.864 176.167 175.328 -0.043 0.000 0.930 932 H CA 0.877 56.908 56.048 -0.029 0.000 1.852 932 H CB -0.354 29.392 29.762 -0.027 0.000 2.249 932 H HN 0.167 nan 8.280 nan 0.000 0.995 933 R N 0.816 121.381 120.500 0.109 0.000 2.724 933 R HA 0.234 4.574 4.340 0.000 0.000 0.284 933 R C -0.293 175.948 176.300 -0.099 0.000 1.481 933 R CA 0.549 56.638 56.100 -0.018 0.000 1.652 933 R CB 1.103 31.383 30.300 -0.034 0.000 1.175 933 R HN 0.920 nan 8.270 nan 0.000 0.613 934 G N 0.422 109.140 108.800 -0.137 0.000 2.135 934 G HA2 -0.232 3.728 3.960 0.000 0.000 0.183 934 G HA3 -0.232 3.728 3.960 0.000 0.000 0.183 934 G C -0.226 174.634 174.900 -0.067 0.000 1.004 934 G CA -0.026 44.947 45.100 -0.212 0.000 0.677 934 G HN 0.381 nan 8.290 nan 0.000 0.512 935 V N -1.543 118.352 119.914 -0.032 0.000 2.588 935 V HA 0.923 5.043 4.120 0.000 0.000 0.304 935 V C 0.002 176.060 176.094 -0.060 0.000 1.042 935 V CA -1.255 61.028 62.300 -0.028 0.000 0.877 935 V CB 1.454 33.262 31.823 -0.025 0.000 0.996 935 V HN 0.824 nan 8.190 nan 0.000 0.425 936 I N 1.483 122.034 120.570 -0.032 0.000 3.206 936 I HA 0.839 5.009 4.170 0.000 0.000 0.313 936 I C -0.316 175.791 176.117 -0.016 0.000 1.103 936 I CA -1.563 59.709 61.300 -0.046 0.000 0.985 936 I CB 1.859 39.866 38.000 0.012 0.000 1.240 936 I HN 0.763 nan 8.210 nan 0.000 0.464 937 E N -0.079 120.127 120.200 0.010 0.000 2.311 937 E HA 0.661 5.011 4.350 0.000 0.000 0.281 937 E C -1.549 175.093 176.600 0.070 0.000 0.905 937 E CA -0.504 55.922 56.400 0.044 0.000 0.778 937 E CB 1.952 31.685 29.700 0.055 0.000 1.240 937 E HN 0.858 nan 8.360 nan 0.000 0.410 938 T N 0.950 115.543 114.554 0.066 0.000 3.033 938 T HA 0.270 4.620 4.350 0.000 0.000 0.362 938 T C -1.660 173.090 174.700 0.083 0.000 1.723 938 T CA -0.424 61.718 62.100 0.070 0.000 1.110 938 T CB 1.140 70.073 68.868 0.109 0.000 1.515 938 T HN 0.117 nan 8.240 nan 0.000 0.484 939 V N 3.847 123.802 119.914 0.070 0.000 2.864 939 V HA 0.303 4.423 4.120 0.000 0.000 0.378 939 V C -0.181 176.007 176.094 0.156 0.000 1.346 939 V CA -0.773 61.591 62.300 0.107 0.000 1.328 939 V CB -0.562 31.305 31.823 0.074 0.000 1.361 939 V HN 0.953 nan 8.190 nan 0.000 0.641 940 Y N 1.677 122.069 120.300 0.152 0.000 2.910 940 Y HA 0.088 4.638 4.550 0.000 0.000 0.358 940 Y C 0.137 176.179 175.900 0.236 0.000 1.293 940 Y CA 1.187 59.412 58.100 0.208 0.000 1.630 940 Y CB 0.193 38.799 38.460 0.244 0.000 1.178 940 Y HN 0.482 nan 8.280 nan 0.000 0.550 941 L N 4.832 126.289 121.223 0.390 0.000 2.671 941 L HA 0.534 4.874 4.340 0.000 0.000 0.259 941 L C -1.435 175.597 176.870 0.271 0.000 1.021 941 L CA -1.193 53.826 54.840 0.298 0.000 0.871 941 L CB 1.449 43.636 42.059 0.213 0.000 1.472 941 L HN 0.504 nan 8.230 nan 0.000 0.410 942 R N 1.645 122.263 120.500 0.197 0.000 2.254 942 R HA 0.664 5.004 4.340 0.000 0.000 0.318 942 R C -1.913 174.545 176.300 0.264 0.000 1.031 942 R CA -0.092 56.112 56.100 0.174 0.000 0.905 942 R CB 0.794 31.122 30.300 0.046 0.000 1.050 942 R HN 0.671 nan 8.270 nan 0.000 0.456 943 T N 4.128 118.851 114.554 0.281 0.000 3.105 943 T HA 0.282 4.632 4.350 0.000 0.000 0.321 943 T C -2.875 172.012 174.700 0.313 0.000 1.135 943 T CA -1.354 60.933 62.100 0.312 0.000 1.053 943 T CB 1.903 70.911 68.868 0.233 0.000 1.133 943 T HN 0.368 nan 8.240 nan 0.000 0.463 944 P HA 0.115 nan 4.420 nan 0.000 0.148 944 P C -0.809 176.785 177.300 0.491 0.000 0.756 944 P CA 1.048 64.444 63.100 0.492 0.000 1.236 944 P CB -0.591 31.585 31.700 0.794 0.000 1.438 945 F N -0.570 119.439 119.950 0.098 0.000 3.601 945 F HA 0.104 4.631 4.527 0.000 0.000 0.320 945 F C -0.268 175.546 175.800 0.023 0.000 0.977 945 F CA -0.547 57.478 58.000 0.042 0.000 0.806 945 F CB 0.105 39.168 39.000 0.105 0.000 1.789 945 F HN -0.276 nan 8.300 nan 0.000 0.434 946 S N 1.145 117.055 115.700 0.352 0.000 4.579 946 S HA 0.292 4.762 4.470 0.000 0.000 0.681 946 S C -0.517 174.118 174.600 0.057 0.000 1.075 946 S CA 0.958 59.279 58.200 0.203 0.000 1.216 946 S CB -0.895 62.447 63.200 0.237 0.000 2.270 946 S HN 1.806 nan 8.310 nan 0.000 0.326 947 A N 0.000 122.819 122.820 -0.002 0.000 2.254 947 A HA 0.000 4.320 4.320 0.000 0.000 0.244 947 A CA 0.000 52.020 52.037 -0.028 0.000 0.836 947 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 947 A HN 0.000 nan 8.150 nan 0.000 0.486