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 1gfp_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ACLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.708 177.584 0.207 0.000 1.274 1 A CA 0.000 52.177 52.037 0.234 0.000 0.836 1 A CB 0.000 19.209 19.000 0.348 0.000 0.831 2 E N 2.621 122.911 120.200 0.150 0.000 1.985 2 E HA 0.245 4.595 4.350 -0.000 0.000 0.268 2 E C 0.882 177.567 176.600 0.142 0.000 1.219 2 E CA 0.148 56.631 56.400 0.138 0.000 0.942 2 E CB -0.098 29.657 29.700 0.093 0.000 1.045 2 E HN 0.656 nan 8.360 nan 0.000 0.413 3 I N 2.327 123.004 120.570 0.178 0.000 3.603 3 I HA 0.211 4.381 4.170 -0.000 0.000 0.297 3 I C -0.279 175.968 176.117 0.216 0.000 1.269 3 I CA -0.128 61.278 61.300 0.176 0.000 1.361 3 I CB 0.171 38.281 38.000 0.183 0.000 1.063 3 I HN 0.337 nan 8.210 nan 0.000 0.448 4 Y N 1.754 122.091 120.300 0.062 0.000 2.513 4 Y HA 0.558 5.107 4.550 -0.000 0.000 0.340 4 Y C -1.477 174.450 175.900 0.045 0.000 1.055 4 Y CA -1.316 56.810 58.100 0.043 0.000 1.020 4 Y CB 1.520 39.997 38.460 0.028 0.000 1.301 4 Y HN 0.102 nan 8.280 nan 0.000 0.453 5 N N 4.439 122.803 118.700 -0.560 0.000 3.153 5 N HA 0.227 4.967 4.740 -0.000 0.000 0.208 5 N C -2.301 172.955 175.510 -0.422 0.000 1.462 5 N CA -0.389 52.467 53.050 -0.324 0.000 0.754 5 N CB 0.395 38.809 38.487 -0.123 0.000 1.558 5 N HN 0.494 nan 8.380 nan 0.000 0.605 6 K N 1.038 121.153 120.400 -0.476 0.000 2.502 6 K HA 0.375 4.695 4.320 -0.000 0.000 0.257 6 K C -0.739 175.840 176.600 -0.036 0.000 0.938 6 K CA -0.402 55.732 56.287 -0.254 0.000 0.819 6 K CB 1.417 33.727 32.500 -0.316 0.000 1.333 6 K HN 0.359 nan 8.250 nan 0.000 0.434 7 D N 1.012 121.409 120.400 -0.006 0.000 2.772 7 D HA -0.180 4.460 4.640 -0.000 0.000 0.233 7 D C 0.714 177.044 176.300 0.049 0.000 1.143 7 D CA 1.783 55.804 54.000 0.034 0.000 0.700 7 D CB -1.039 39.799 40.800 0.062 0.000 1.076 7 D HN 1.005 nan 8.370 nan 0.000 0.430 8 G N -0.096 108.727 108.800 0.037 0.000 2.162 8 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.260 8 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.260 8 G C 0.092 175.040 174.900 0.081 0.000 0.976 8 G CA 0.447 45.579 45.100 0.053 0.000 0.655 8 G HN 0.637 nan 8.290 nan 0.000 0.533 9 N N 0.326 119.088 118.700 0.105 0.000 2.443 9 N HA 0.561 5.301 4.740 -0.000 0.000 0.269 9 N C -0.362 175.262 175.510 0.190 0.000 0.985 9 N CA -0.662 52.483 53.050 0.158 0.000 0.921 9 N CB 0.712 39.317 38.487 0.197 0.000 1.195 9 N HN 0.569 nan 8.380 nan 0.000 0.492 10 K N 1.309 121.809 120.400 0.167 0.000 2.292 10 K HA 0.667 4.987 4.320 -0.000 0.000 0.257 10 K C -1.298 175.426 176.600 0.206 0.000 0.940 10 K CA -0.874 55.516 56.287 0.171 0.000 0.811 10 K CB 1.678 34.237 32.500 0.099 0.000 1.120 10 K HN 0.081 nan 8.250 nan 0.000 0.428 11 V N 1.834 121.896 119.914 0.247 0.000 2.513 11 V HA 0.284 4.404 4.120 -0.000 0.000 0.299 11 V C -0.969 175.255 176.094 0.217 0.000 1.035 11 V CA -0.653 61.775 62.300 0.213 0.000 0.889 11 V CB 1.641 33.549 31.823 0.142 0.000 0.988 11 V HN 0.918 nan 8.190 nan 0.000 0.440 12 D N 3.673 124.220 120.400 0.245 0.000 2.471 12 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 12 D C -1.074 175.417 176.300 0.319 0.000 1.116 12 D CA -0.410 53.741 54.000 0.252 0.000 0.853 12 D CB 1.729 42.662 40.800 0.222 0.000 1.123 12 D HN 0.372 nan 8.370 nan 0.000 0.540 13 L N 6.258 127.648 121.223 0.279 0.000 2.264 13 L HA 0.433 4.773 4.340 -0.000 0.000 0.289 13 L C -1.279 175.713 176.870 0.203 0.000 1.044 13 L CA -0.404 54.585 54.840 0.248 0.000 0.807 13 L CB 0.178 42.401 42.059 0.274 0.000 1.192 13 L HN 0.347 nan 8.230 nan 0.000 0.425 14 Y N 2.964 123.225 120.300 -0.065 0.000 2.633 14 Y HA 1.020 5.570 4.550 0.000 0.000 0.339 14 Y C -0.071 175.421 175.900 -0.681 0.000 1.045 14 Y CA -0.883 56.926 58.100 -0.485 0.000 1.098 14 Y CB 1.650 39.938 38.460 -0.287 0.000 1.296 14 Y HN 0.769 nan 8.280 nan 0.000 0.494 15 G N 0.964 109.204 108.800 -0.933 0.000 2.387 15 G HA2 0.506 4.465 3.960 -0.000 0.000 0.294 15 G HA3 0.506 4.465 3.960 -0.000 0.000 0.294 15 G C -2.397 172.360 174.900 -0.238 0.000 1.509 15 G CA -1.210 43.605 45.100 -0.474 0.000 0.806 15 G HN 1.013 nan 8.290 nan 0.000 0.546 16 K N -0.966 119.475 120.400 0.069 0.000 2.527 16 K HA 0.819 5.139 4.320 -0.000 0.000 0.260 16 K C -0.936 175.748 176.600 0.141 0.000 0.937 16 K CA -0.894 55.470 56.287 0.128 0.000 0.826 16 K CB 2.490 35.018 32.500 0.047 0.000 1.359 16 K HN 1.347 nan 8.250 nan 0.000 0.434 17 A N 2.192 125.117 122.820 0.175 0.000 2.287 17 A HA 0.559 4.879 4.320 -0.000 0.000 0.317 17 A C -0.913 176.649 177.584 -0.036 0.000 1.220 17 A CA -0.771 51.310 52.037 0.073 0.000 0.835 17 A CB 1.071 20.156 19.000 0.143 0.000 1.180 17 A HN 0.409 nan 8.150 nan 0.000 0.500 18 V N 2.965 122.726 119.914 -0.255 0.000 2.326 18 V HA 0.521 4.641 4.120 -0.000 0.000 0.281 18 V C 0.857 176.822 176.094 -0.214 0.000 1.015 18 V CA -0.307 61.806 62.300 -0.310 0.000 0.823 18 V CB 1.355 32.753 31.823 -0.709 0.000 1.009 18 V HN 1.062 nan 8.190 nan 0.000 0.436 19 G N 4.696 113.440 108.800 -0.094 0.000 2.349 19 G HA2 0.542 4.502 3.960 -0.000 0.000 0.281 19 G HA3 0.542 4.502 3.960 -0.000 0.000 0.281 19 G C -1.063 173.813 174.900 -0.039 0.000 1.182 19 G CA -0.072 44.997 45.100 -0.052 0.000 0.899 19 G HN 0.500 nan 8.290 nan 0.000 0.455 20 L N 1.999 123.217 121.223 -0.007 0.000 2.445 20 L HA 0.760 5.100 4.340 -0.000 0.000 0.262 20 L C -1.203 175.686 176.870 0.032 0.000 0.974 20 L CA -1.124 53.735 54.840 0.032 0.000 0.822 20 L CB 2.434 44.541 42.059 0.080 0.000 1.339 20 L HN 0.673 nan 8.230 nan 0.000 0.409 21 H N 2.496 121.552 119.070 -0.022 0.000 2.954 21 H HA 0.616 5.172 4.556 -0.000 0.000 0.361 21 H C -1.755 173.592 175.328 0.033 0.000 1.122 21 H CA -0.346 55.622 56.048 -0.134 0.000 1.217 21 H CB 1.274 30.893 29.762 -0.238 0.000 1.776 21 H HN 0.455 nan 8.280 nan 0.000 0.533 22 Y N 3.951 123.956 120.300 -0.492 0.000 2.360 22 Y HA 0.334 4.884 4.550 -0.000 0.000 0.337 22 Y C -0.806 174.906 175.900 -0.313 0.000 1.039 22 Y CA -1.212 56.780 58.100 -0.180 0.000 1.109 22 Y CB 0.711 39.138 38.460 -0.055 0.000 1.201 22 Y HN 0.501 nan 8.280 nan 0.000 0.458 23 F N 1.545 121.686 119.950 0.319 0.000 2.403 23 F HA 0.574 5.101 4.527 -0.000 0.000 0.355 23 F C -0.032 175.864 175.800 0.160 0.000 1.119 23 F CA -0.382 57.756 58.000 0.230 0.000 1.007 23 F CB 1.489 40.605 39.000 0.193 0.000 1.194 23 F HN 0.202 nan 8.300 nan 0.000 0.443 24 S N 2.092 117.958 115.700 0.276 0.000 2.536 24 S HA 0.420 4.890 4.470 -0.000 0.000 0.271 24 S C -0.886 173.807 174.600 0.155 0.000 1.134 24 S CA -1.393 56.920 58.200 0.189 0.000 0.897 24 S CB 2.028 65.312 63.200 0.140 0.000 1.094 24 S HN 0.578 nan 8.310 nan 0.000 0.473 25 K N 1.010 121.486 120.400 0.128 0.000 2.258 25 K HA 0.649 4.969 4.320 -0.000 0.000 0.264 25 K C 0.850 177.500 176.600 0.083 0.000 1.007 25 K CA 0.028 56.377 56.287 0.103 0.000 0.941 25 K CB -0.050 32.502 32.500 0.088 0.000 0.966 25 K HN 0.967 nan 8.250 nan 0.000 0.480 26 G N 1.641 110.485 108.800 0.073 0.000 2.512 26 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.240 26 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.240 26 G C -0.102 174.833 174.900 0.057 0.000 1.246 26 G CA 0.195 45.331 45.100 0.060 0.000 0.919 26 G HN 0.755 nan 8.290 nan 0.000 0.577 27 N N 2.178 120.905 118.700 0.046 0.000 2.295 27 N HA 0.347 5.087 4.740 -0.000 0.000 0.221 27 N C 1.789 177.321 175.510 0.037 0.000 1.129 27 N CA 1.465 54.537 53.050 0.038 0.000 0.836 27 N CB -0.732 37.772 38.487 0.028 0.000 1.040 27 N HN 2.071 nan 8.380 nan 0.000 0.494 28 G N 0.876 109.706 108.800 0.049 0.000 2.200 28 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.267 28 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.267 28 G C 0.797 175.716 174.900 0.031 0.000 0.993 28 G CA 0.890 46.020 45.100 0.051 0.000 0.701 28 G HN 0.582 nan 8.290 nan 0.000 0.524 29 E N -0.236 119.979 120.200 0.025 0.000 2.152 29 E HA -0.037 4.313 4.350 -0.000 0.000 0.192 29 E C 1.920 178.525 176.600 0.008 0.000 0.983 29 E CA 0.849 57.255 56.400 0.010 0.000 0.818 29 E CB -0.161 29.546 29.700 0.012 0.000 0.758 29 E HN 0.605 nan 8.360 nan 0.000 0.467 30 N N 0.478 119.192 118.700 0.024 0.000 2.230 30 N HA -0.009 4.731 4.740 -0.000 0.000 0.202 30 N C -0.310 175.222 175.510 0.036 0.000 1.119 30 N CA 0.027 53.095 53.050 0.029 0.000 0.851 30 N CB 0.504 39.017 38.487 0.043 0.000 0.990 30 N HN 0.060 nan 8.380 nan 0.000 0.497 31 S N -0.950 114.771 115.700 0.034 0.000 2.730 31 S HA 0.103 4.573 4.470 -0.000 0.000 0.284 31 S C 0.973 175.588 174.600 0.025 0.000 1.153 31 S CA -0.732 57.496 58.200 0.046 0.000 0.995 31 S CB 0.818 64.054 63.200 0.060 0.000 1.058 31 S HN 0.244 nan 8.310 nan 0.000 0.552 32 Y N 1.425 121.656 120.300 -0.115 0.000 2.114 32 Y HA 0.144 4.694 4.550 -0.000 0.000 0.284 32 Y C 1.993 177.774 175.900 -0.198 0.000 1.143 32 Y CA 2.075 60.056 58.100 -0.198 0.000 1.135 32 Y CB -0.879 37.365 38.460 -0.360 0.000 0.980 32 Y HN 0.761 nan 8.280 nan 0.000 0.499 33 G N -0.899 107.673 108.800 -0.380 0.000 3.324 33 G HA2 0.448 4.408 3.960 -0.000 0.000 0.251 33 G HA3 0.448 4.408 3.960 -0.000 0.000 0.251 33 G C 0.336 175.297 174.900 0.102 0.000 1.072 33 G CA 0.277 45.189 45.100 -0.312 0.000 0.787 33 G HN 0.915 nan 8.290 nan 0.000 0.537 34 G N -0.112 108.736 108.800 0.079 0.000 2.685 34 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.387 34 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.387 34 G C -0.964 174.061 174.900 0.209 0.000 1.324 34 G CA -0.192 44.995 45.100 0.145 0.000 0.878 34 G HN 0.746 nan 8.290 nan 0.000 0.527 35 N N 0.302 119.071 118.700 0.116 0.000 2.287 35 N HA 0.650 5.390 4.740 -0.000 0.000 0.289 35 N C 0.128 175.572 175.510 -0.110 0.000 1.066 35 N CA 0.990 54.074 53.050 0.058 0.000 0.841 35 N CB 1.869 40.395 38.487 0.064 0.000 1.599 35 N HN 2.580 nan 8.380 nan 0.000 0.476 36 G N 2.073 110.662 108.800 -0.352 0.000 2.373 36 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.634 36 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.634 36 G C -1.284 173.079 174.900 -0.895 0.000 1.267 36 G CA -0.716 44.021 45.100 -0.604 0.000 1.008 36 G HN 0.693 nan 8.290 nan 0.000 0.497 37 D N 0.126 120.182 120.400 -0.573 0.000 2.493 37 D HA 0.421 5.061 4.640 -0.000 0.000 0.240 37 D C 1.307 177.420 176.300 -0.312 0.000 1.142 37 D CA 0.452 54.261 54.000 -0.317 0.000 0.872 37 D CB 0.277 41.029 40.800 -0.081 0.000 1.173 37 D HN 0.363 nan 8.370 nan 0.000 0.467 38 M N 2.390 121.817 119.600 -0.288 0.000 2.687 38 M HA 0.076 4.556 4.480 -0.000 0.000 0.413 38 M C -0.097 176.191 176.300 -0.020 0.000 1.216 38 M CA -0.359 54.780 55.300 -0.268 0.000 0.871 38 M CB -0.219 32.001 32.600 -0.634 0.000 1.481 38 M HN 0.211 nan 8.290 nan 0.000 0.521 39 T N 2.754 117.306 114.554 -0.002 0.000 2.946 39 T HA 0.184 4.534 4.350 -0.000 0.000 0.312 39 T C -0.396 174.388 174.700 0.141 0.000 1.066 39 T CA 0.878 62.996 62.100 0.030 0.000 1.138 39 T CB 0.068 68.936 68.868 0.000 0.000 1.014 39 T HN 0.454 nan 8.240 nan 0.000 0.544 40 Y N -0.868 119.449 120.300 0.028 0.000 2.725 40 Y HA 0.735 5.285 4.550 -0.000 0.000 0.333 40 Y C -1.150 174.812 175.900 0.104 0.000 1.242 40 Y CA -1.778 56.359 58.100 0.061 0.000 1.059 40 Y CB 0.759 39.240 38.460 0.035 0.000 1.306 40 Y HN 0.770 nan 8.280 nan 0.000 0.454 41 A N 0.259 123.228 122.820 0.249 0.000 2.539 41 A HA 0.824 5.144 4.320 -0.000 0.000 0.296 41 A C -1.701 176.128 177.584 0.408 0.000 1.073 41 A CA -0.656 51.501 52.037 0.200 0.000 0.700 41 A CB 1.245 20.352 19.000 0.179 0.000 1.296 41 A HN 1.034 nan 8.150 nan 0.000 0.405 42 C N 0.397 119.884 119.300 0.311 0.000 2.707 42 C HA 0.895 5.355 4.460 -0.000 0.000 0.313 42 C C -0.873 174.225 174.990 0.180 0.000 1.209 42 C CA -0.457 58.710 59.018 0.247 0.000 1.635 42 C CB 1.238 29.083 27.740 0.174 0.000 2.206 42 C HN 0.930 nan 8.230 nan 0.000 0.485 43 L N 1.920 123.181 121.223 0.064 0.000 2.493 43 L HA 0.888 5.228 4.340 -0.000 0.000 0.265 43 L C -0.234 176.339 176.870 -0.495 0.000 0.954 43 L CA 0.477 55.279 54.840 -0.063 0.000 0.844 43 L CB 1.799 44.027 42.059 0.282 0.000 1.302 43 L HN 0.969 nan 8.230 nan 0.000 0.405 44 G N 2.459 110.772 108.800 -0.811 0.000 2.608 44 G HA2 0.618 4.578 3.960 -0.000 0.000 0.291 44 G HA3 0.618 4.578 3.960 -0.000 0.000 0.291 44 G C -1.978 172.508 174.900 -0.689 0.000 1.425 44 G CA -0.370 44.160 45.100 -0.951 0.000 0.787 44 G HN 0.747 nan 8.290 nan 0.000 0.484 45 F N -1.042 118.803 119.950 -0.175 0.000 2.603 45 F HA 0.896 5.423 4.527 -0.000 0.000 0.317 45 F C -0.711 175.223 175.800 0.222 0.000 1.066 45 F CA -1.606 56.432 58.000 0.063 0.000 0.941 45 F CB 2.236 41.322 39.000 0.144 0.000 1.291 45 F HN 0.321 nan 8.300 nan 0.000 0.472 46 K N 2.112 122.827 120.400 0.525 0.000 2.640 46 K HA 0.537 4.856 4.320 -0.000 0.000 0.245 46 K C -0.626 176.197 176.600 0.371 0.000 0.962 46 K CA -0.748 55.749 56.287 0.351 0.000 0.896 46 K CB 1.930 34.577 32.500 0.244 0.000 1.147 46 K HN 1.062 nan 8.250 nan 0.000 0.445 47 G N 1.699 110.739 108.800 0.401 0.000 2.400 47 G HA2 0.441 4.401 3.960 -0.000 0.000 0.333 47 G HA3 0.441 4.401 3.960 -0.000 0.000 0.333 47 G C -1.148 173.915 174.900 0.272 0.000 1.143 47 G CA -0.244 45.039 45.100 0.304 0.000 0.914 47 G HN 0.543 nan 8.290 nan 0.000 0.480 48 E N 0.163 120.496 120.200 0.222 0.000 2.334 48 E HA 0.402 4.752 4.350 -0.000 0.000 0.280 48 E C -1.427 175.277 176.600 0.173 0.000 0.899 48 E CA -0.543 55.989 56.400 0.220 0.000 0.813 48 E CB 1.888 31.694 29.700 0.178 0.000 1.318 48 E HN 0.431 nan 8.360 nan 0.000 0.399 49 T N 3.142 117.796 114.554 0.168 0.000 2.807 49 T HA 0.263 4.613 4.350 -0.000 0.000 0.279 49 T C -0.692 174.080 174.700 0.120 0.000 0.993 49 T CA -0.479 61.698 62.100 0.129 0.000 0.970 49 T CB 1.343 70.277 68.868 0.110 0.000 0.950 49 T HN 0.447 nan 8.240 nan 0.000 0.441 50 Q N 4.755 124.614 119.800 0.100 0.000 2.423 50 Q HA 0.275 4.615 4.340 -0.000 0.000 0.235 50 Q C 1.039 177.085 176.000 0.076 0.000 1.100 50 Q CA -0.201 55.657 55.803 0.090 0.000 0.908 50 Q CB 0.519 29.303 28.738 0.076 0.000 1.312 50 Q HN 0.738 nan 8.270 nan 0.000 0.497 51 I N 1.921 122.537 120.570 0.076 0.000 2.614 51 I HA -0.243 3.927 4.170 -0.000 0.000 0.258 51 I C 0.342 176.489 176.117 0.050 0.000 1.189 51 I CA 0.814 62.147 61.300 0.055 0.000 1.462 51 I CB -0.243 37.783 38.000 0.044 0.000 1.092 51 I HN 0.683 nan 8.210 nan 0.000 0.442 52 N N -3.749 114.990 118.700 0.064 0.000 3.467 52 N HA -0.005 4.735 4.740 -0.000 0.000 0.280 52 N C 0.103 175.663 175.510 0.083 0.000 1.352 52 N CA -0.111 52.978 53.050 0.064 0.000 0.801 52 N CB 0.119 38.640 38.487 0.056 0.000 1.627 52 N HN -0.327 nan 8.380 nan 0.000 0.397 53 S N -0.971 114.779 115.700 0.083 0.000 2.383 53 S HA -0.113 4.357 4.470 -0.000 0.000 0.229 53 S C 0.305 174.975 174.600 0.116 0.000 1.030 53 S CA 1.678 59.931 58.200 0.088 0.000 1.002 53 S CB -0.551 62.694 63.200 0.075 0.000 0.829 53 S HN 0.604 nan 8.310 nan 0.000 0.467 54 D N -0.400 120.102 120.400 0.170 0.000 2.388 54 D HA 0.165 4.805 4.640 -0.000 0.000 0.208 54 D C 0.031 176.531 176.300 0.332 0.000 1.035 54 D CA 0.076 54.224 54.000 0.247 0.000 0.875 54 D CB 0.097 41.132 40.800 0.392 0.000 0.984 54 D HN 0.225 nan 8.370 nan 0.000 0.508 55 L N 1.431 122.798 121.223 0.241 0.000 2.272 55 L HA 0.350 4.690 4.340 -0.000 0.000 0.289 55 L C -0.702 176.259 176.870 0.153 0.000 1.032 55 L CA 0.081 55.034 54.840 0.187 0.000 0.810 55 L CB 1.705 43.790 42.059 0.044 0.000 1.205 55 L HN -0.300 nan 8.230 nan 0.000 0.422 56 T N 3.973 118.639 114.554 0.186 0.000 2.824 56 T HA 0.737 5.087 4.350 -0.000 0.000 0.282 56 T C 0.036 174.873 174.700 0.229 0.000 0.993 56 T CA -0.448 61.771 62.100 0.199 0.000 0.967 56 T CB 1.521 70.522 68.868 0.222 0.000 0.960 56 T HN 0.783 nan 8.240 nan 0.000 0.441 57 G N 1.629 110.538 108.800 0.182 0.000 2.461 57 G HA2 0.758 4.718 3.960 -0.000 0.000 0.329 57 G HA3 0.758 4.718 3.960 -0.000 0.000 0.329 57 G C -1.499 173.537 174.900 0.228 0.000 1.170 57 G CA -0.716 44.447 45.100 0.105 0.000 0.935 57 G HN 0.765 nan 8.290 nan 0.000 0.492 58 Y N -2.401 117.983 120.300 0.141 0.000 2.702 58 Y HA 0.729 5.279 4.550 -0.000 0.000 0.336 58 Y C -0.253 175.731 175.900 0.139 0.000 1.203 58 Y CA -1.187 56.999 58.100 0.145 0.000 1.072 58 Y CB 0.922 39.473 38.460 0.152 0.000 1.327 58 Y HN 1.129 nan 8.280 nan 0.000 0.456 59 G N 0.596 109.592 108.800 0.327 0.000 2.698 59 G HA2 0.550 4.510 3.960 -0.000 0.000 0.293 59 G HA3 0.550 4.510 3.960 -0.000 0.000 0.293 59 G C -2.472 172.390 174.900 -0.063 0.000 1.437 59 G CA -0.933 44.228 45.100 0.103 0.000 0.852 59 G HN 0.926 nan 8.290 nan 0.000 0.499 60 Q N -0.528 118.946 119.800 -0.543 0.000 2.352 60 Q HA 0.538 4.878 4.340 -0.000 0.000 0.270 60 Q C -2.373 173.217 176.000 -0.683 0.000 1.006 60 Q CA -0.903 54.505 55.803 -0.657 0.000 0.880 60 Q CB 2.685 31.072 28.738 -0.586 0.000 1.392 60 Q HN 0.754 nan 8.270 nan 0.000 0.401 61 W N 3.323 124.072 121.300 -0.919 0.000 3.138 61 W HA 0.634 5.294 4.660 -0.000 0.000 0.331 61 W C -1.930 174.353 176.519 -0.393 0.000 1.166 61 W CA -0.336 56.636 57.345 -0.621 0.000 1.212 61 W CB 1.722 30.778 29.460 -0.674 0.000 1.399 61 W HN 0.726 nan 8.180 nan 0.000 0.514 62 E N 4.755 124.263 120.200 -1.152 0.000 2.304 62 E HA 0.297 4.647 4.350 -0.000 0.000 0.277 62 E C -2.344 173.601 176.600 -1.092 0.000 0.898 62 E CA -0.764 55.041 56.400 -0.992 0.000 0.764 62 E CB 2.050 31.535 29.700 -0.358 0.000 1.216 62 E HN 0.521 nan 8.360 nan 0.000 0.419 63 Y N 2.912 122.506 120.300 -1.177 0.000 2.485 63 Y HA 0.429 4.979 4.550 -0.000 0.000 0.345 63 Y C -0.885 174.653 175.900 -0.604 0.000 0.998 63 Y CA -0.851 56.742 58.100 -0.846 0.000 1.059 63 Y CB 1.806 39.764 38.460 -0.837 0.000 1.234 63 Y HN 0.589 nan 8.280 nan 0.000 0.461 64 N N 3.612 121.874 118.700 -0.731 0.000 2.446 64 N HA 0.337 5.077 4.740 -0.000 0.000 0.265 64 N C -2.106 173.193 175.510 -0.351 0.000 0.975 64 N CA -0.286 52.523 53.050 -0.402 0.000 0.928 64 N CB 0.360 38.611 38.487 -0.393 0.000 1.160 64 N HN 0.366 nan 8.380 nan 0.000 0.495 65 F N 2.273 122.343 119.950 0.200 0.000 2.308 65 F HA 0.331 4.857 4.527 -0.000 0.000 0.370 65 F C 0.477 176.377 175.800 0.167 0.000 1.100 65 F CA -0.762 57.370 58.000 0.221 0.000 1.108 65 F CB 0.993 40.121 39.000 0.214 0.000 1.293 65 F HN 0.247 nan 8.300 nan 0.000 0.478 66 Q N 1.695 121.643 119.800 0.246 0.000 2.330 66 Q HA 0.152 4.491 4.340 -0.000 0.000 0.279 66 Q C 1.058 177.168 176.000 0.183 0.000 1.024 66 Q CA 0.311 56.223 55.803 0.181 0.000 0.900 66 Q CB 1.250 30.038 28.738 0.082 0.000 1.221 66 Q HN 0.915 nan 8.270 nan 0.000 0.396 67 G N 2.026 110.921 108.800 0.158 0.000 3.453 67 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.263 67 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.263 67 G C 0.469 175.401 174.900 0.053 0.000 1.060 67 G CA -0.229 44.930 45.100 0.099 0.000 0.793 67 G HN 0.601 nan 8.290 nan 0.000 0.532 68 N N 0.074 118.798 118.700 0.040 0.000 2.214 68 N HA 0.084 4.824 4.740 -0.000 0.000 0.214 68 N C -0.274 175.238 175.510 0.003 0.000 1.132 68 N CA -0.482 52.570 53.050 0.004 0.000 0.856 68 N CB 0.086 38.554 38.487 -0.033 0.000 1.020 68 N HN -0.021 nan 8.380 nan 0.000 0.509 69 N N 0.487 119.200 118.700 0.021 0.000 2.482 69 N HA 0.198 4.938 4.740 -0.000 0.000 0.279 69 N C 0.207 175.729 175.510 0.019 0.000 1.182 69 N CA -0.333 52.728 53.050 0.019 0.000 0.969 69 N CB 1.580 40.087 38.487 0.033 0.000 1.201 69 N HN 0.304 nan 8.380 nan 0.000 0.523 70 S N -0.692 115.017 115.700 0.015 0.000 2.671 70 S HA 0.241 4.710 4.470 -0.000 0.000 0.272 70 S C 0.506 175.117 174.600 0.018 0.000 1.174 70 S CA -0.394 57.814 58.200 0.013 0.000 1.004 70 S CB 0.785 63.990 63.200 0.009 0.000 1.077 70 S HN 0.508 nan 8.310 nan 0.000 0.553 71 E N -0.043 120.166 120.200 0.014 0.000 2.437 71 E HA 0.219 4.569 4.350 -0.000 0.000 0.189 71 E C 1.000 177.608 176.600 0.014 0.000 1.054 71 E CA -0.119 56.290 56.400 0.015 0.000 0.874 71 E CB 0.031 29.736 29.700 0.009 0.000 1.011 71 E HN 0.695 nan 8.360 nan 0.000 0.474 72 G N 0.591 109.399 108.800 0.013 0.000 2.630 72 G HA2 0.265 4.225 3.960 -0.000 0.000 0.223 72 G HA3 0.265 4.225 3.960 -0.000 0.000 0.223 72 G C 1.045 175.954 174.900 0.015 0.000 1.434 72 G CA 0.165 45.272 45.100 0.012 0.000 1.057 72 G HN 0.159 nan 8.290 nan 0.000 0.570 73 A N 0.051 122.878 122.820 0.012 0.000 1.978 73 A HA -0.066 4.254 4.320 -0.000 0.000 0.220 73 A C 1.856 179.449 177.584 0.015 0.000 1.170 73 A CA 2.260 54.305 52.037 0.013 0.000 0.636 73 A CB -0.508 18.497 19.000 0.009 0.000 0.810 73 A HN 0.643 nan 8.150 nan 0.000 0.448 74 D N -0.307 120.102 120.400 0.014 0.000 2.349 74 D HA 0.208 4.848 4.640 -0.000 0.000 0.224 74 D C 1.576 177.891 176.300 0.024 0.000 1.029 74 D CA 0.778 54.787 54.000 0.015 0.000 0.879 74 D CB -0.262 40.543 40.800 0.008 0.000 0.906 74 D HN 0.348 nan 8.370 nan 0.000 0.528 75 A N 1.201 124.040 122.820 0.031 0.000 1.971 75 A HA -0.263 4.057 4.320 -0.000 0.000 0.222 75 A C 2.178 179.804 177.584 0.070 0.000 1.182 75 A CA 1.499 53.564 52.037 0.047 0.000 0.649 75 A CB -0.393 18.634 19.000 0.046 0.000 0.818 75 A HN 0.184 nan 8.150 nan 0.000 0.458 76 Q N -0.336 119.504 119.800 0.065 0.000 2.425 76 Q HA 0.030 4.370 4.340 -0.000 0.000 0.204 76 Q C 0.142 176.175 176.000 0.055 0.000 0.933 76 Q CA 0.350 56.203 55.803 0.083 0.000 0.939 76 Q CB -0.592 28.192 28.738 0.076 0.000 1.044 76 Q HN 0.559 nan 8.270 nan 0.000 0.513 77 T N 1.162 115.734 114.554 0.031 0.000 2.849 77 T HA 0.137 4.487 4.350 -0.000 0.000 0.289 77 T C 1.211 175.907 174.700 -0.006 0.000 1.010 77 T CA 1.300 63.403 62.100 0.006 0.000 1.161 77 T CB 0.211 69.078 68.868 -0.002 0.000 0.989 77 T HN 0.617 nan 8.240 nan 0.000 0.523 78 G N 3.646 112.423 108.800 -0.037 0.000 2.205 78 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.261 78 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.261 78 G C 0.170 175.004 174.900 -0.111 0.000 0.980 78 G CA -0.294 44.762 45.100 -0.074 0.000 0.632 78 G HN 0.680 nan 8.290 nan 0.000 0.533 79 N N 1.609 120.266 118.700 -0.071 0.000 2.497 79 N HA 0.537 5.277 4.740 -0.000 0.000 0.268 79 N C 0.299 175.607 175.510 -0.336 0.000 1.171 79 N CA 0.697 53.667 53.050 -0.133 0.000 0.948 79 N CB 1.021 39.578 38.487 0.117 0.000 1.069 79 N HN 0.862 nan 8.380 nan 0.000 0.460 80 K N -1.000 118.908 120.400 -0.819 0.000 2.625 80 K HA 0.319 4.639 4.320 -0.000 0.000 0.284 80 K C -1.414 174.441 176.600 -1.242 0.000 0.984 80 K CA -0.765 55.031 56.287 -0.817 0.000 0.865 80 K CB 0.494 32.735 32.500 -0.433 0.000 1.468 80 K HN 0.178 nan 8.250 nan 0.000 0.407 81 T N 1.934 116.102 114.554 -0.644 0.000 2.780 81 T HA 0.263 4.613 4.350 -0.000 0.000 0.294 81 T C 0.985 175.482 174.700 -0.337 0.000 0.949 81 T CA -0.455 61.434 62.100 -0.352 0.000 1.074 81 T CB 0.918 69.866 68.868 0.132 0.000 0.910 81 T HN 0.440 nan 8.240 nan 0.000 0.501 82 R N 2.299 122.569 120.500 -0.384 0.000 2.075 82 R HA 0.273 4.613 4.340 -0.000 0.000 0.220 82 R C 0.212 176.352 176.300 -0.266 0.000 1.118 82 R CA 0.726 56.630 56.100 -0.327 0.000 0.986 82 R CB 0.127 30.233 30.300 -0.322 0.000 0.884 82 R HN 0.455 nan 8.270 nan 0.000 0.439 83 L N -0.827 120.261 121.223 -0.225 0.000 2.354 83 L HA 0.666 5.005 4.340 -0.000 0.000 0.264 83 L C -1.028 175.814 176.870 -0.048 0.000 1.008 83 L CA -1.049 53.734 54.840 -0.095 0.000 0.819 83 L CB 2.336 44.383 42.059 -0.021 0.000 1.339 83 L HN -0.020 nan 8.230 nan 0.000 0.420 84 A N 2.810 125.657 122.820 0.046 0.000 2.480 84 A HA 0.620 4.940 4.320 -0.000 0.000 0.302 84 A C -1.224 176.409 177.584 0.081 0.000 1.151 84 A CA -0.398 51.662 52.037 0.037 0.000 0.907 84 A CB 0.156 19.241 19.000 0.142 0.000 1.487 84 A HN 0.625 nan 8.150 nan 0.000 0.396 85 F N -0.441 119.513 119.950 0.006 0.000 2.711 85 F HA 0.967 5.494 4.527 -0.000 0.000 0.313 85 F C -0.329 175.498 175.800 0.045 0.000 1.141 85 F CA -0.785 57.215 58.000 -0.001 0.000 0.941 85 F CB 1.050 40.027 39.000 -0.038 0.000 1.349 85 F HN 1.037 nan 8.300 nan 0.000 0.464 86 A N 0.328 123.315 122.820 0.279 0.000 2.515 86 A HA 1.021 5.341 4.320 -0.000 0.000 0.296 86 A C -0.613 176.968 177.584 -0.005 0.000 1.094 86 A CA -0.379 51.713 52.037 0.091 0.000 0.718 86 A CB 1.442 20.476 19.000 0.057 0.000 1.307 86 A HN 2.101 nan 8.150 nan 0.000 0.408 87 G N -0.870 107.651 108.800 -0.464 0.000 2.548 87 G HA2 0.600 4.560 3.960 -0.000 0.000 0.301 87 G HA3 0.600 4.560 3.960 -0.000 0.000 0.301 87 G C -2.048 172.446 174.900 -0.678 0.000 1.349 87 G CA -0.593 44.189 45.100 -0.530 0.000 0.792 87 G HN 0.910 nan 8.290 nan 0.000 0.481 88 L N -0.154 120.977 121.223 -0.152 0.000 2.401 88 L HA 0.586 4.926 4.340 -0.000 0.000 0.266 88 L C -0.551 176.506 176.870 0.313 0.000 0.991 88 L CA -0.862 54.025 54.840 0.079 0.000 0.818 88 L CB 2.690 44.820 42.059 0.118 0.000 1.321 88 L HN 0.416 nan 8.230 nan 0.000 0.413 89 K N 2.255 122.871 120.400 0.359 0.000 2.323 89 K HA 0.492 4.812 4.320 -0.000 0.000 0.259 89 K C -1.648 175.143 176.600 0.318 0.000 0.947 89 K CA -0.782 55.697 56.287 0.321 0.000 0.819 89 K CB 2.230 34.891 32.500 0.269 0.000 1.109 89 K HN 0.299 nan 8.250 nan 0.000 0.429 90 Y N 3.003 123.377 120.300 0.123 0.000 2.326 90 Y HA 0.412 4.962 4.550 0.000 0.000 0.331 90 Y C 0.587 176.537 175.900 0.083 0.000 0.962 90 Y CA -0.668 57.494 58.100 0.103 0.000 1.167 90 Y CB 0.380 38.905 38.460 0.109 0.000 1.148 90 Y HN 0.983 nan 8.280 nan 0.000 0.463 91 A N 4.237 127.059 122.820 0.003 0.000 5.328 91 A HA -0.353 3.966 4.320 -0.000 0.000 0.346 91 A C 1.121 178.619 177.584 -0.144 0.000 1.675 91 A CA 2.338 54.260 52.037 -0.193 0.000 0.717 91 A CB -1.542 17.152 19.000 -0.509 0.000 1.467 91 A HN 0.742 nan 8.150 nan 0.000 0.409 92 D N -0.893 119.398 120.400 -0.181 0.000 2.395 92 D HA 0.332 4.972 4.640 -0.000 0.000 0.213 92 D C 1.450 177.694 176.300 -0.094 0.000 1.110 92 D CA 0.754 54.695 54.000 -0.098 0.000 0.835 92 D CB 0.263 41.044 40.800 -0.031 0.000 0.965 92 D HN 0.254 nan 8.370 nan 0.000 0.505 93 V N 0.224 120.075 119.914 -0.105 0.000 2.719 93 V HA 0.180 4.300 4.120 -0.000 0.000 0.252 93 V C 1.444 177.557 176.094 0.031 0.000 1.065 93 V CA 1.169 63.502 62.300 0.056 0.000 1.086 93 V CB -0.378 31.499 31.823 0.090 0.000 0.700 93 V HN 0.390 nan 8.190 nan 0.000 0.467 94 G N 0.154 108.926 108.800 -0.047 0.000 2.331 94 G HA2 0.136 4.096 3.960 -0.000 0.000 0.479 94 G HA3 0.136 4.096 3.960 -0.000 0.000 0.479 94 G C -0.462 174.430 174.900 -0.012 0.000 1.262 94 G CA -0.225 44.770 45.100 -0.175 0.000 1.029 94 G HN 0.910 nan 8.290 nan 0.000 0.487 95 S N -1.337 114.292 115.700 -0.118 0.000 2.599 95 S HA 0.884 5.354 4.470 -0.000 0.000 0.287 95 S C -1.142 173.590 174.600 0.220 0.000 1.105 95 S CA -0.370 57.904 58.200 0.124 0.000 0.899 95 S CB 2.618 65.895 63.200 0.129 0.000 1.100 95 S HN 2.093 nan 8.310 nan 0.000 0.482 96 F N 1.395 121.458 119.950 0.189 0.000 2.588 96 F HA 0.645 5.172 4.527 -0.000 0.000 0.314 96 F C -2.039 173.873 175.800 0.187 0.000 1.134 96 F CA -0.435 57.692 58.000 0.212 0.000 0.961 96 F CB 1.563 40.717 39.000 0.257 0.000 1.239 96 F HN 0.955 nan 8.300 nan 0.000 0.448 97 D N 3.376 123.367 120.400 -0.682 0.000 2.570 97 D HA 0.467 5.106 4.640 -0.000 0.000 0.244 97 D C -2.021 173.931 176.300 -0.579 0.000 1.178 97 D CA -0.609 53.121 54.000 -0.450 0.000 0.881 97 D CB 2.185 42.955 40.800 -0.050 0.000 1.453 97 D HN 0.523 nan 8.370 nan 0.000 0.447 98 Y N -0.027 120.093 120.300 -0.300 0.000 2.534 98 Y HA 0.653 5.203 4.550 -0.000 0.000 0.345 98 Y C 0.052 175.980 175.900 0.047 0.000 1.031 98 Y CA 0.490 58.498 58.100 -0.153 0.000 1.022 98 Y CB 1.941 40.364 38.460 -0.063 0.000 1.292 98 Y HN 1.055 nan 8.280 nan 0.000 0.459 99 G N 3.693 111.966 108.800 -0.878 0.000 2.270 99 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.268 99 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.268 99 G C -1.685 173.020 174.900 -0.325 0.000 1.312 99 G CA -1.063 43.753 45.100 -0.474 0.000 1.050 99 G HN 0.764 nan 8.290 nan 0.000 0.474 100 R N 0.968 121.400 120.500 -0.113 0.000 2.248 100 R HA 0.504 4.844 4.340 -0.000 0.000 0.328 100 R C -0.355 175.919 176.300 -0.044 0.000 1.067 100 R CA -0.137 55.896 56.100 -0.111 0.000 0.924 100 R CB 0.087 30.334 30.300 -0.088 0.000 1.013 100 R HN 0.598 nan 8.270 nan 0.000 0.454 101 N N 2.408 121.003 118.700 -0.174 0.000 3.243 101 N HA 0.188 4.928 4.740 -0.000 0.000 0.280 101 N C -1.775 173.571 175.510 -0.273 0.000 1.545 101 N CA -0.670 52.249 53.050 -0.217 0.000 0.854 101 N CB 0.649 38.910 38.487 -0.377 0.000 1.612 101 N HN 0.276 nan 8.380 nan 0.000 0.577 102 Y N 0.696 120.884 120.300 -0.187 0.000 2.359 102 Y HA 0.376 4.926 4.550 0.000 0.000 0.334 102 Y C 1.516 177.381 175.900 -0.058 0.000 1.058 102 Y CA 0.193 58.191 58.100 -0.170 0.000 1.244 102 Y CB 0.492 38.822 38.460 -0.217 0.000 1.187 102 Y HN 0.472 nan 8.280 nan 0.000 0.510 103 G N 1.734 110.629 108.800 0.157 0.000 2.554 103 G HA2 0.218 4.177 3.960 -0.000 0.000 0.238 103 G HA3 0.218 4.177 3.960 -0.000 0.000 0.238 103 G C 1.003 176.079 174.900 0.293 0.000 1.259 103 G CA -0.119 45.118 45.100 0.228 0.000 0.843 103 G HN 0.769 nan 8.290 nan 0.000 0.582 104 V N 0.945 121.033 119.914 0.289 0.000 2.469 104 V HA -0.172 3.948 4.120 -0.000 0.000 0.251 104 V C 2.666 178.847 176.094 0.144 0.000 1.064 104 V CA 1.683 64.088 62.300 0.174 0.000 1.066 104 V CB -1.012 30.866 31.823 0.092 0.000 0.667 104 V HN 0.413 nan 8.190 nan 0.000 0.461 105 V N -0.427 119.590 119.914 0.172 0.000 2.720 105 V HA -0.227 3.892 4.120 -0.000 0.000 0.256 105 V C 2.325 178.480 176.094 0.101 0.000 1.082 105 V CA 2.189 64.555 62.300 0.111 0.000 1.101 105 V CB -1.161 30.733 31.823 0.118 0.000 0.693 105 V HN 0.708 nan 8.190 nan 0.000 0.479 106 Y N 1.067 121.404 120.300 0.061 0.000 2.574 106 Y HA -0.146 4.404 4.550 0.000 0.000 0.294 106 Y C 2.055 177.924 175.900 -0.051 0.000 1.142 106 Y CA 1.075 59.185 58.100 0.017 0.000 1.314 106 Y CB -0.106 38.398 38.460 0.072 0.000 0.991 106 Y HN 0.329 nan 8.280 nan 0.000 0.555 107 D N -0.115 120.282 120.400 -0.006 0.000 2.263 107 D HA -0.129 4.510 4.640 -0.000 0.000 0.208 107 D C 1.973 178.132 176.300 -0.234 0.000 0.971 107 D CA 1.176 55.131 54.000 -0.075 0.000 0.867 107 D CB -0.073 40.721 40.800 -0.011 0.000 0.929 107 D HN 0.522 nan 8.370 nan 0.000 0.492 108 A N 0.266 122.928 122.820 -0.263 0.000 1.896 108 A HA 0.071 4.390 4.320 -0.000 0.000 0.213 108 A C 2.210 179.543 177.584 -0.418 0.000 1.306 108 A CA 0.109 51.913 52.037 -0.389 0.000 0.626 108 A CB -0.772 18.098 19.000 -0.218 0.000 0.994 108 A HN 0.133 nan 8.150 nan 0.000 0.475 109 L N 0.383 121.399 121.223 -0.345 0.000 2.263 109 L HA -0.184 4.156 4.340 -0.000 0.000 0.216 109 L C 2.575 179.145 176.870 -0.500 0.000 1.111 109 L CA 0.889 55.523 54.840 -0.344 0.000 0.773 109 L CB -0.851 41.062 42.059 -0.243 0.000 0.906 109 L HN 0.528 nan 8.230 nan 0.000 0.439 110 G N -1.033 107.265 108.800 -0.837 0.000 2.479 110 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 110 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 110 G C 1.253 176.100 174.900 -0.087 0.000 1.115 110 G CA 0.384 45.059 45.100 -0.708 0.000 0.757 110 G HN 0.234 nan 8.290 nan 0.000 0.560 111 Y N 1.834 122.023 120.300 -0.185 0.000 2.097 111 Y HA -0.160 4.390 4.550 -0.000 0.000 0.282 111 Y C 3.251 179.205 175.900 0.090 0.000 1.152 111 Y CA 1.519 59.620 58.100 0.001 0.000 1.136 111 Y CB -0.991 37.464 38.460 -0.009 0.000 0.975 111 Y HN 0.327 nan 8.280 nan 0.000 0.498 112 T N -3.176 111.488 114.554 0.183 0.000 3.107 112 T HA 0.023 4.373 4.350 -0.000 0.000 0.249 112 T C 0.674 175.410 174.700 0.059 0.000 1.096 112 T CA 0.344 62.523 62.100 0.131 0.000 1.012 112 T CB -0.158 68.766 68.868 0.092 0.000 0.977 112 T HN -0.005 nan 8.240 nan 0.000 0.527 113 D N 1.488 121.894 120.400 0.010 0.000 2.801 113 D HA 0.150 4.790 4.640 -0.000 0.000 0.232 113 D C 0.516 176.805 176.300 -0.019 0.000 1.128 113 D CA -0.163 53.846 54.000 0.014 0.000 1.003 113 D CB -0.193 40.628 40.800 0.036 0.000 1.110 113 D HN 0.278 nan 8.370 nan 0.000 0.477 114 M N 1.204 120.782 119.600 -0.036 0.000 2.410 114 M HA 0.146 4.625 4.480 -0.000 0.000 0.376 114 M C 0.132 176.385 176.300 -0.078 0.000 1.051 114 M CA -0.251 54.980 55.300 -0.115 0.000 0.949 114 M CB 0.238 32.681 32.600 -0.261 0.000 1.577 114 M HN 0.059 nan 8.290 nan 0.000 0.560 115 L N 1.406 122.617 121.223 -0.020 0.000 2.467 115 L HA 0.101 4.441 4.340 -0.000 0.000 0.270 115 L C -0.975 175.826 176.870 -0.115 0.000 1.205 115 L CA -1.186 53.648 54.840 -0.010 0.000 0.828 115 L CB -0.153 41.953 42.059 0.080 0.000 1.101 115 L HN -0.072 nan 8.230 nan 0.000 0.479 116 P HA -0.197 nan 4.420 nan 0.000 0.216 116 P C 0.880 177.757 177.300 -0.705 0.000 1.153 116 P CA 1.231 64.052 63.100 -0.465 0.000 0.858 116 P CB 0.388 31.857 31.700 -0.386 0.000 0.789 117 E N -3.201 116.721 120.200 -0.464 0.000 2.571 117 E HA 0.155 4.505 4.350 -0.000 0.000 0.204 117 E C 0.599 176.901 176.600 -0.496 0.000 0.851 117 E CA 0.158 56.263 56.400 -0.492 0.000 1.358 117 E CB -0.226 29.180 29.700 -0.489 0.000 1.327 117 E HN -0.057 nan 8.360 nan 0.000 0.665 118 F N 0.482 120.448 119.950 0.027 0.000 2.433 118 F HA 0.727 5.253 4.527 -0.000 0.000 0.288 118 F C 1.414 177.255 175.800 0.069 0.000 0.996 118 F CA 0.294 58.333 58.000 0.064 0.000 1.104 118 F CB -0.106 38.934 39.000 0.065 0.000 1.946 118 F HN 0.155 nan 8.300 nan 0.000 0.583 119 G N -1.103 107.916 108.800 0.365 0.000 2.631 119 G HA2 0.370 4.330 3.960 -0.000 0.000 0.504 119 G HA3 0.370 4.330 3.960 -0.000 0.000 0.504 119 G C 0.383 175.380 174.900 0.162 0.000 1.306 119 G CA -0.196 45.052 45.100 0.247 0.000 0.897 119 G HN 1.774 nan 8.290 nan 0.000 0.520 120 G N -0.855 108.001 108.800 0.092 0.000 2.422 120 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.301 120 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.301 120 G C 0.719 175.610 174.900 -0.016 0.000 0.981 120 G CA 1.560 46.688 45.100 0.047 0.000 0.994 120 G HN 1.309 nan 8.290 nan 0.000 0.514 121 D N -0.437 119.954 120.400 -0.015 0.000 2.149 121 D HA -0.065 4.575 4.640 -0.000 0.000 0.198 121 D C 2.687 178.740 176.300 -0.412 0.000 0.990 121 D CA 2.006 55.939 54.000 -0.112 0.000 0.839 121 D CB -0.072 40.749 40.800 0.036 0.000 0.948 121 D HN 0.601 nan 8.370 nan 0.000 0.460 122 T N -2.024 112.369 114.554 -0.268 0.000 3.113 122 T HA 0.192 4.542 4.350 -0.000 0.000 0.256 122 T C 1.277 175.861 174.700 -0.193 0.000 1.131 122 T CA 0.219 62.173 62.100 -0.243 0.000 1.074 122 T CB -0.014 68.829 68.868 -0.041 0.000 0.944 122 T HN 0.080 nan 8.240 nan 0.000 0.516 123 A N 1.234 123.959 122.820 -0.158 0.000 3.074 123 A HA 0.481 4.801 4.320 -0.000 0.000 0.251 123 A C -0.417 177.164 177.584 -0.005 0.000 1.695 123 A CA -0.829 51.247 52.037 0.065 0.000 1.343 123 A CB -1.328 17.836 19.000 0.272 0.000 1.078 123 A HN 0.580 nan 8.150 nan 0.000 0.644 124 Y N 0.219 120.568 120.300 0.081 0.000 2.550 124 Y HA 0.165 4.715 4.550 -0.000 0.000 0.343 124 Y C 1.282 177.182 175.900 -0.000 0.000 1.245 124 Y CA 0.575 58.695 58.100 0.033 0.000 1.462 124 Y CB 0.556 39.037 38.460 0.034 0.000 1.340 124 Y HN 0.363 nan 8.280 nan 0.000 0.604 125 S N 1.801 117.570 115.700 0.114 0.000 2.586 125 S HA 0.082 4.552 4.470 -0.000 0.000 0.274 125 S C -0.449 174.136 174.600 -0.026 0.000 1.281 125 S CA -0.770 57.421 58.200 -0.016 0.000 1.035 125 S CB 0.292 63.446 63.200 -0.076 0.000 0.962 125 S HN 0.753 nan 8.310 nan 0.000 0.512 126 D N 1.489 121.830 120.400 -0.099 0.000 2.697 126 D HA -0.178 4.461 4.640 -0.000 0.000 0.235 126 D C -0.619 175.594 176.300 -0.146 0.000 1.167 126 D CA 0.853 54.765 54.000 -0.146 0.000 0.656 126 D CB -0.759 39.961 40.800 -0.135 0.000 1.025 126 D HN 0.611 nan 8.370 nan 0.000 0.419 127 D N -0.896 119.442 120.400 -0.104 0.000 2.849 127 D HA 0.307 4.947 4.640 -0.000 0.000 0.314 127 D C 0.567 176.905 176.300 0.063 0.000 1.210 127 D CA -0.487 53.498 54.000 -0.024 0.000 0.756 127 D CB 0.110 40.993 40.800 0.139 0.000 1.222 127 D HN 0.035 nan 8.370 nan 0.000 0.521 128 F N -0.629 119.234 119.950 -0.145 0.000 2.369 128 F HA -0.394 4.133 4.527 -0.000 0.000 0.581 128 F C 0.981 176.544 175.800 -0.394 0.000 1.044 128 F CA 1.300 59.101 58.000 -0.332 0.000 1.260 128 F CB -1.188 37.702 39.000 -0.183 0.000 2.263 128 F HN 0.160 nan 8.300 nan 0.000 0.231 129 F N 0.157 120.237 119.950 0.217 0.000 2.695 129 F HA 0.273 4.800 4.527 -0.000 0.000 0.303 129 F C 1.623 177.507 175.800 0.140 0.000 1.091 129 F CA 0.458 58.532 58.000 0.123 0.000 1.300 129 F CB -0.094 38.946 39.000 0.067 0.000 1.071 129 F HN 0.200 nan 8.300 nan 0.000 0.578 130 V N -2.310 117.786 119.914 0.303 0.000 2.591 130 V HA 0.379 4.499 4.120 -0.000 0.000 0.249 130 V C 1.113 177.401 176.094 0.323 0.000 1.053 130 V CA 1.357 63.831 62.300 0.291 0.000 1.068 130 V CB -0.879 31.106 31.823 0.271 0.000 0.689 130 V HN 0.167 nan 8.190 nan 0.000 0.462 131 G N -0.320 108.601 108.800 0.200 0.000 3.247 131 G HA2 0.518 4.477 3.960 -0.000 0.000 0.199 131 G HA3 0.518 4.477 3.960 -0.000 0.000 0.199 131 G C -0.876 173.963 174.900 -0.101 0.000 1.172 131 G CA -1.329 43.824 45.100 0.090 0.000 0.844 131 G HN 0.288 nan 8.290 nan 0.000 0.619 132 R N -0.298 120.001 120.500 -0.336 0.000 2.389 132 R HA 0.499 4.839 4.340 -0.000 0.000 0.295 132 R C -0.466 175.666 176.300 -0.279 0.000 1.075 132 R CA -0.146 55.667 56.100 -0.479 0.000 1.005 132 R CB 1.251 31.173 30.300 -0.630 0.000 0.987 132 R HN 0.402 nan 8.270 nan 0.000 0.452 133 V N -0.668 119.095 119.914 -0.251 0.000 3.130 133 V HA 0.769 4.889 4.120 -0.000 0.000 0.310 133 V C 0.234 176.204 176.094 -0.207 0.000 1.158 133 V CA -1.259 60.912 62.300 -0.216 0.000 1.029 133 V CB 1.940 33.629 31.823 -0.223 0.000 1.057 133 V HN 0.818 nan 8.190 nan 0.000 0.436 134 G N -0.662 108.027 108.800 -0.186 0.000 2.410 134 G HA2 0.604 4.564 3.960 -0.000 0.000 0.330 134 G HA3 0.604 4.564 3.960 -0.000 0.000 0.330 134 G C 0.748 175.542 174.900 -0.177 0.000 1.142 134 G CA -0.244 44.752 45.100 -0.172 0.000 0.902 134 G HN 2.332 nan 8.290 nan 0.000 0.491 135 G N -1.172 107.476 108.800 -0.252 0.000 2.225 135 G HA2 0.067 4.027 3.960 -0.000 0.000 0.264 135 G HA3 0.067 4.027 3.960 -0.000 0.000 0.264 135 G C 0.170 174.977 174.900 -0.154 0.000 1.060 135 G CA 0.365 45.327 45.100 -0.229 0.000 0.833 135 G HN 1.885 nan 8.290 nan 0.000 0.498 136 V N -2.481 117.263 119.914 -0.284 0.000 2.427 136 V HA 0.924 5.044 4.120 -0.000 0.000 0.286 136 V C 0.461 176.546 176.094 -0.015 0.000 1.034 136 V CA -0.681 61.575 62.300 -0.073 0.000 0.893 136 V CB 1.646 33.420 31.823 -0.081 0.000 0.982 136 V HN 1.645 nan 8.190 nan 0.000 0.452 137 A N 3.568 126.552 122.820 0.274 0.000 2.276 137 A HA 0.821 5.141 4.320 -0.000 0.000 0.316 137 A C 0.208 177.930 177.584 0.231 0.000 1.229 137 A CA -0.414 51.820 52.037 0.329 0.000 0.851 137 A CB 0.852 20.230 19.000 0.629 0.000 1.165 137 A HN 0.974 nan 8.150 nan 0.000 0.513 138 T N 2.248 116.792 114.554 -0.018 0.000 2.937 138 T HA 0.436 4.786 4.350 -0.000 0.000 0.297 138 T C -1.363 173.429 174.700 0.153 0.000 0.991 138 T CA -0.121 62.023 62.100 0.074 0.000 0.990 138 T CB 0.720 69.553 68.868 -0.058 0.000 0.991 138 T HN 0.530 nan 8.240 nan 0.000 0.440 139 Y N 3.411 123.836 120.300 0.208 0.000 2.360 139 Y HA 0.698 5.248 4.550 -0.000 0.000 0.337 139 Y C -0.255 175.662 175.900 0.028 0.000 1.039 139 Y CA -1.064 57.169 58.100 0.222 0.000 1.109 139 Y CB 0.926 39.566 38.460 0.299 0.000 1.201 139 Y HN 0.513 nan 8.280 nan 0.000 0.458 140 R N 4.898 124.846 120.500 -0.919 0.000 2.574 140 R HA 0.305 4.645 4.340 -0.000 0.000 0.288 140 R C -1.487 174.170 176.300 -1.072 0.000 1.004 140 R CA -1.008 54.620 56.100 -0.786 0.000 0.895 140 R CB 1.836 31.909 30.300 -0.379 0.000 1.191 140 R HN 0.699 nan 8.270 nan 0.000 0.444 141 N N 0.855 118.911 118.700 -1.073 0.000 2.321 141 N HA 0.311 5.051 4.740 -0.000 0.000 0.299 141 N C -1.387 173.801 175.510 -0.537 0.000 1.048 141 N CA -0.222 52.259 53.050 -0.949 0.000 0.836 141 N CB 2.167 39.825 38.487 -1.382 0.000 1.269 141 N HN 0.403 nan 8.380 nan 0.000 0.486 142 S N 2.116 117.600 115.700 -0.360 0.000 2.478 142 S HA 0.350 4.820 4.470 -0.000 0.000 0.312 142 S C -0.201 174.359 174.600 -0.067 0.000 1.094 142 S CA -0.536 57.566 58.200 -0.162 0.000 1.081 142 S CB 0.580 63.701 63.200 -0.130 0.000 1.007 142 S HN 0.712 nan 8.310 nan 0.000 0.475 143 N N 1.543 120.278 118.700 0.058 0.000 2.776 143 N HA -0.200 4.540 4.740 -0.000 0.000 0.249 143 N C -0.221 175.444 175.510 0.259 0.000 1.111 143 N CA 0.588 53.729 53.050 0.151 0.000 0.711 143 N CB -1.816 36.728 38.487 0.095 0.000 1.065 143 N HN 0.804 nan 8.380 nan 0.000 0.556 144 F N 0.174 120.198 119.950 0.123 0.000 2.635 144 F HA -0.326 4.201 4.527 0.000 0.000 0.228 144 F C 0.119 176.131 175.800 0.352 0.000 1.029 144 F CA 1.029 59.187 58.000 0.264 0.000 0.907 144 F CB -1.626 37.569 39.000 0.326 0.000 0.893 144 F HN 0.246 nan 8.300 nan 0.000 0.845 145 F N 0.404 120.290 119.950 -0.105 0.000 3.084 145 F HA -0.228 4.298 4.527 -0.001 0.000 0.286 145 F C 1.597 177.394 175.800 -0.006 0.000 0.855 145 F CA 1.430 59.367 58.000 -0.104 0.000 1.091 145 F CB -1.540 37.337 39.000 -0.204 0.000 1.177 145 F HN 1.080 nan 8.300 nan 0.000 0.542 146 G N -0.811 108.071 108.800 0.137 0.000 2.179 146 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.260 146 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.260 146 G C 0.870 175.875 174.900 0.175 0.000 0.977 146 G CA 0.334 45.510 45.100 0.127 0.000 0.641 146 G HN 0.534 nan 8.290 nan 0.000 0.533 147 L N -0.565 120.819 121.223 0.269 0.000 2.270 147 L HA 0.268 4.607 4.340 -0.000 0.000 0.210 147 L C 0.745 177.766 176.870 0.251 0.000 1.104 147 L CA 0.748 55.752 54.840 0.274 0.000 0.804 147 L CB 0.267 42.555 42.059 0.383 0.000 0.937 147 L HN 0.141 nan 8.230 nan 0.000 0.450 148 V N 0.206 120.300 119.914 0.301 0.000 2.385 148 V HA 0.199 4.319 4.120 -0.000 0.000 0.277 148 V C -0.913 175.330 176.094 0.247 0.000 1.012 148 V CA -1.012 61.432 62.300 0.240 0.000 0.832 148 V CB 1.181 33.132 31.823 0.214 0.000 1.028 148 V HN 0.032 nan 8.190 nan 0.000 0.436 149 D N 3.652 124.172 120.400 0.200 0.000 2.533 149 D HA 0.328 4.968 4.640 -0.000 0.000 0.236 149 D C 1.350 177.775 176.300 0.208 0.000 1.137 149 D CA 2.043 56.147 54.000 0.172 0.000 0.867 149 D CB 1.218 42.102 40.800 0.140 0.000 1.170 149 D HN 0.942 nan 8.370 nan 0.000 0.474 150 G N 1.487 110.362 108.800 0.125 0.000 2.217 150 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 150 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 150 G C 0.169 175.169 174.900 0.167 0.000 0.990 150 G CA 0.114 45.215 45.100 0.002 0.000 0.627 150 G HN 0.496 nan 8.290 nan 0.000 0.522 151 L N 2.223 123.672 121.223 0.377 0.000 2.265 151 L HA 0.707 5.046 4.340 -0.000 0.000 0.288 151 L C -0.501 176.568 176.870 0.331 0.000 1.058 151 L CA -1.017 54.085 54.840 0.437 0.000 0.809 151 L CB 0.711 42.997 42.059 0.378 0.000 1.179 151 L HN 0.236 nan 8.230 nan 0.000 0.429 152 N N 5.162 124.039 118.700 0.295 0.000 2.262 152 N HA 0.628 5.368 4.740 -0.000 0.000 0.295 152 N C -1.283 174.418 175.510 0.318 0.000 1.161 152 N CA -0.204 52.973 53.050 0.211 0.000 0.767 152 N CB 2.361 40.897 38.487 0.081 0.000 1.499 152 N HN 0.503 nan 8.380 nan 0.000 0.476 153 F N -1.193 118.792 119.950 0.058 0.000 2.686 153 F HA 0.912 5.439 4.527 -0.000 0.000 0.311 153 F C -1.625 174.190 175.800 0.025 0.000 1.128 153 F CA -1.096 56.947 58.000 0.072 0.000 0.946 153 F CB 1.244 40.329 39.000 0.141 0.000 1.336 153 F HN 0.534 nan 8.300 nan 0.000 0.457 154 A N 1.333 124.293 122.820 0.233 0.000 2.549 154 A HA 0.781 5.101 4.320 -0.000 0.000 0.297 154 A C -2.128 175.607 177.584 0.251 0.000 1.061 154 A CA -0.560 51.534 52.037 0.095 0.000 0.690 154 A CB 1.647 20.654 19.000 0.011 0.000 1.287 154 A HN 1.805 nan 8.150 nan 0.000 0.402 155 V N 0.959 121.029 119.914 0.260 0.000 2.914 155 V HA 0.860 4.980 4.120 -0.000 0.000 0.314 155 V C -0.897 175.235 176.094 0.064 0.000 1.084 155 V CA -0.328 62.067 62.300 0.159 0.000 0.963 155 V CB 1.890 33.847 31.823 0.224 0.000 1.025 155 V HN 1.089 nan 8.190 nan 0.000 0.432 156 Q N 3.404 123.125 119.800 -0.131 0.000 2.284 156 Q HA 0.462 4.802 4.340 -0.000 0.000 0.269 156 Q C -2.377 173.521 176.000 -0.171 0.000 1.026 156 Q CA -0.600 55.187 55.803 -0.027 0.000 0.831 156 Q CB 2.343 31.157 28.738 0.127 0.000 1.322 156 Q HN 0.811 nan 8.270 nan 0.000 0.419 157 Y N 2.394 122.863 120.300 0.281 0.000 2.331 157 Y HA 0.452 5.001 4.550 -0.000 0.000 0.338 157 Y C -0.430 175.615 175.900 0.242 0.000 0.992 157 Y CA -0.792 57.468 58.100 0.268 0.000 1.121 157 Y CB 1.440 40.045 38.460 0.242 0.000 1.184 157 Y HN 0.509 nan 8.280 nan 0.000 0.469 158 L N 3.666 125.086 121.223 0.328 0.000 2.287 158 L HA 0.781 5.121 4.340 -0.000 0.000 0.287 158 L C 0.236 177.201 176.870 0.159 0.000 1.022 158 L CA -0.166 54.763 54.840 0.147 0.000 0.814 158 L CB 0.931 42.944 42.059 -0.077 0.000 1.217 158 L HN 0.709 nan 8.230 nan 0.000 0.420 159 G N 3.674 112.557 108.800 0.139 0.000 2.420 159 G HA2 0.224 4.184 3.960 -0.000 0.000 0.284 159 G HA3 0.224 4.184 3.960 -0.000 0.000 0.284 159 G C -0.733 174.201 174.900 0.058 0.000 1.177 159 G CA -0.735 44.443 45.100 0.130 0.000 0.841 159 G HN 0.843 nan 8.290 nan 0.000 0.527 160 K N 1.368 121.802 120.400 0.056 0.000 2.511 160 K HA -0.013 4.307 4.320 -0.000 0.000 0.280 160 K C -0.673 175.925 176.600 -0.004 0.000 1.008 160 K CA 0.195 56.495 56.287 0.022 0.000 1.050 160 K CB 0.181 32.701 32.500 0.034 0.000 0.889 160 K HN 0.405 nan 8.250 nan 0.000 0.484 161 N N 4.505 123.178 118.700 -0.045 0.000 2.623 161 N HA 0.103 4.843 4.740 -0.000 0.000 0.256 161 N C -1.501 173.974 175.510 -0.059 0.000 1.045 161 N CA -0.404 52.612 53.050 -0.057 0.000 0.863 161 N CB 1.578 40.005 38.487 -0.100 0.000 1.182 161 N HN 0.582 nan 8.380 nan 0.000 0.523 162 E N 2.191 122.372 120.200 -0.032 0.000 1.963 162 E HA 0.205 4.555 4.350 -0.000 0.000 0.274 162 E C 0.076 176.661 176.600 -0.026 0.000 1.061 162 E CA -0.243 56.141 56.400 -0.026 0.000 0.847 162 E CB 1.309 31.003 29.700 -0.010 0.000 1.083 162 E HN 0.209 nan 8.360 nan 0.000 0.402 163 R N 1.623 122.102 120.500 -0.036 0.000 2.608 163 R HA 0.193 4.533 4.340 -0.000 0.000 0.255 163 R C 0.450 176.738 176.300 -0.020 0.000 1.086 163 R CA -0.776 55.305 56.100 -0.032 0.000 1.125 163 R CB 0.679 30.951 30.300 -0.047 0.000 1.193 163 R HN 0.395 nan 8.270 nan 0.000 0.553 164 D N 0.296 120.686 120.400 -0.017 0.000 2.269 164 D HA -0.049 4.590 4.640 -0.000 0.000 0.208 164 D C 0.078 176.373 176.300 -0.008 0.000 0.963 164 D CA 1.380 55.373 54.000 -0.011 0.000 0.864 164 D CB 0.196 40.989 40.800 -0.011 0.000 0.936 164 D HN 0.289 nan 8.370 nan 0.000 0.505 165 T N -0.028 114.518 114.554 -0.013 0.000 2.797 165 T HA 0.438 4.787 4.350 -0.000 0.000 0.279 165 T C 1.064 175.770 174.700 0.010 0.000 0.991 165 T CA -0.479 61.616 62.100 -0.008 0.000 0.979 165 T CB 2.128 70.982 68.868 -0.023 0.000 0.943 165 T HN -0.068 nan 8.240 nan 0.000 0.444 166 A N 3.648 126.494 122.820 0.042 0.000 1.972 166 A HA -0.098 4.222 4.320 -0.000 0.000 0.219 166 A C 2.187 179.890 177.584 0.198 0.000 1.169 166 A CA 1.667 53.774 52.037 0.117 0.000 0.635 166 A CB -0.401 18.700 19.000 0.168 0.000 0.810 166 A HN 0.714 nan 8.150 nan 0.000 0.446 167 R N -0.239 120.319 120.500 0.096 0.000 2.120 167 R HA -0.041 4.299 4.340 -0.000 0.000 0.234 167 R C 1.415 177.731 176.300 0.027 0.000 1.123 167 R CA 1.439 57.572 56.100 0.055 0.000 0.975 167 R CB -0.166 30.081 30.300 -0.089 0.000 0.866 167 R HN 0.325 nan 8.270 nan 0.000 0.446 168 R N 0.117 120.602 120.500 -0.025 0.000 2.427 168 R HA 0.315 4.655 4.340 -0.000 0.000 0.262 168 R C -0.211 176.014 176.300 -0.124 0.000 0.943 168 R CA 0.031 56.082 56.100 -0.082 0.000 1.081 168 R CB 0.618 30.874 30.300 -0.073 0.000 1.166 168 R HN 0.083 nan 8.270 nan 0.000 0.534 169 S N 1.839 117.467 115.700 -0.119 0.000 2.745 169 S HA 0.498 4.968 4.470 -0.000 0.000 0.292 169 S C 0.071 174.478 174.600 -0.321 0.000 1.133 169 S CA -0.742 57.363 58.200 -0.158 0.000 0.998 169 S CB 1.754 64.910 63.200 -0.074 0.000 1.087 169 S HN 0.425 nan 8.310 nan 0.000 0.551 170 N N -0.774 117.770 118.700 -0.261 0.000 3.171 170 N HA 0.299 5.039 4.740 -0.000 0.000 0.239 170 N C -0.794 174.676 175.510 -0.068 0.000 1.275 170 N CA -0.855 52.014 53.050 -0.303 0.000 0.920 170 N CB 0.943 39.086 38.487 -0.574 0.000 1.554 170 N HN 0.667 nan 8.380 nan 0.000 0.504 171 G N -0.169 108.675 108.800 0.074 0.000 2.613 171 G HA2 0.359 4.319 3.960 -0.000 0.000 0.303 171 G HA3 0.359 4.319 3.960 -0.000 0.000 0.303 171 G C -0.606 174.354 174.900 0.100 0.000 1.312 171 G CA -0.481 44.666 45.100 0.079 0.000 1.036 171 G HN 0.642 nan 8.290 nan 0.000 0.513 172 D N -0.487 119.975 120.400 0.103 0.000 2.382 172 D HA 0.475 5.114 4.640 -0.000 0.000 0.240 172 D C 0.511 176.921 176.300 0.183 0.000 1.146 172 D CA 0.860 54.941 54.000 0.135 0.000 0.897 172 D CB 1.502 42.381 40.800 0.132 0.000 1.197 172 D HN 0.626 nan 8.370 nan 0.000 0.432 173 G N -0.945 108.003 108.800 0.247 0.000 2.550 173 G HA2 0.511 4.471 3.960 -0.000 0.000 0.293 173 G HA3 0.511 4.471 3.960 -0.000 0.000 0.293 173 G C -1.634 173.511 174.900 0.409 0.000 1.402 173 G CA -0.480 44.825 45.100 0.341 0.000 0.784 173 G HN 0.362 nan 8.290 nan 0.000 0.482 174 V N -0.829 119.278 119.914 0.322 0.000 2.925 174 V HA 0.968 5.087 4.120 -0.000 0.000 0.311 174 V C 0.398 176.350 176.094 -0.236 0.000 1.104 174 V CA 0.133 62.474 62.300 0.068 0.000 0.954 174 V CB 2.037 33.865 31.823 0.010 0.000 1.022 174 V HN 1.622 nan 8.190 nan 0.000 0.427 175 G N 0.589 109.186 108.800 -0.338 0.000 2.704 175 G HA2 0.812 4.772 3.960 -0.000 0.000 0.293 175 G HA3 0.812 4.772 3.960 -0.000 0.000 0.293 175 G C -0.784 173.991 174.900 -0.208 0.000 1.421 175 G CA -0.053 44.727 45.100 -0.533 0.000 0.870 175 G HN 1.184 nan 8.290 nan 0.000 0.492 176 G N -1.016 107.725 108.800 -0.098 0.000 2.682 176 G HA2 0.884 4.844 3.960 -0.000 0.000 0.290 176 G HA3 0.884 4.844 3.960 -0.000 0.000 0.290 176 G C -0.746 174.196 174.900 0.069 0.000 1.425 176 G CA 0.261 45.382 45.100 0.034 0.000 0.807 176 G HN 1.794 nan 8.290 nan 0.000 0.482 177 S N -1.248 114.527 115.700 0.125 0.000 2.550 177 S HA 0.796 5.266 4.470 -0.000 0.000 0.270 177 S C -1.316 173.389 174.600 0.174 0.000 1.145 177 S CA -0.781 57.489 58.200 0.118 0.000 0.852 177 S CB 1.716 64.964 63.200 0.080 0.000 1.119 177 S HN 0.774 nan 8.310 nan 0.000 0.465 178 I N 2.135 122.789 120.570 0.139 0.000 2.569 178 I HA 0.638 4.808 4.170 -0.000 0.000 0.290 178 I C -0.531 175.672 176.117 0.143 0.000 1.088 178 I CA -0.532 60.871 61.300 0.171 0.000 1.047 178 I CB 2.440 40.509 38.000 0.115 0.000 1.237 178 I HN 0.955 nan 8.210 nan 0.000 0.421 179 S N 4.872 120.680 115.700 0.180 0.000 2.564 179 S HA 0.705 5.175 4.470 -0.000 0.000 0.274 179 S C -1.595 173.168 174.600 0.272 0.000 1.124 179 S CA -0.710 57.598 58.200 0.181 0.000 0.869 179 S CB 2.454 65.733 63.200 0.132 0.000 1.105 179 S HN 0.554 nan 8.310 nan 0.000 0.472 180 Y N 0.588 120.964 120.300 0.126 0.000 2.421 180 Y HA 0.580 5.129 4.550 -0.001 0.000 0.339 180 Y C -1.184 174.815 175.900 0.165 0.000 0.996 180 Y CA -0.610 57.570 58.100 0.132 0.000 1.046 180 Y CB 1.888 40.411 38.460 0.105 0.000 1.226 180 Y HN 0.899 nan 8.280 nan 0.000 0.445 181 E N 5.701 125.586 120.200 -0.524 0.000 2.216 181 E HA 0.208 4.558 4.350 -0.000 0.000 0.260 181 E C -2.156 174.203 176.600 -0.402 0.000 0.880 181 E CA -0.886 55.324 56.400 -0.316 0.000 0.765 181 E CB 2.228 31.848 29.700 -0.134 0.000 1.174 181 E HN 0.530 nan 8.360 nan 0.000 0.417 182 Y N 2.946 123.081 120.300 -0.276 0.000 2.363 182 Y HA 0.128 4.678 4.550 -0.001 0.000 0.325 182 Y C -0.336 175.630 175.900 0.111 0.000 0.984 182 Y CA -1.009 57.028 58.100 -0.106 0.000 1.248 182 Y CB 0.721 39.191 38.460 0.017 0.000 1.116 182 Y HN 0.697 nan 8.280 nan 0.000 0.470 183 E N 4.933 124.808 120.200 -0.541 0.000 2.513 183 E HA -0.251 4.098 4.350 -0.000 0.000 0.156 183 E C 1.024 177.485 176.600 -0.230 0.000 1.740 183 E CA 1.227 57.355 56.400 -0.453 0.000 0.646 183 E CB -1.071 28.175 29.700 -0.757 0.000 1.080 183 E HN 1.397 nan 8.360 nan 0.000 0.345 184 G N 1.579 110.201 108.800 -0.298 0.000 2.284 184 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.261 184 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.261 184 G C 0.058 174.642 174.900 -0.527 0.000 0.997 184 G CA 0.452 45.247 45.100 -0.508 0.000 0.621 184 G HN 0.404 nan 8.290 nan 0.000 0.534 185 F N 1.053 120.977 119.950 -0.045 0.000 2.397 185 F HA 0.663 5.190 4.527 -0.000 0.000 0.331 185 F C 0.894 176.690 175.800 -0.007 0.000 1.090 185 F CA 0.081 58.106 58.000 0.042 0.000 1.065 185 F CB 2.159 41.242 39.000 0.139 0.000 1.184 185 F HN 0.331 nan 8.300 nan 0.000 0.499 186 G N 2.434 111.371 108.800 0.228 0.000 2.753 186 G HA2 0.625 4.585 3.960 -0.000 0.000 0.297 186 G HA3 0.625 4.585 3.960 -0.000 0.000 0.297 186 G C -2.162 172.941 174.900 0.337 0.000 1.430 186 G CA -0.510 44.712 45.100 0.203 0.000 1.040 186 G HN 0.704 nan 8.290 nan 0.000 0.530 187 I N 1.570 122.335 120.570 0.326 0.000 2.647 187 I HA 0.770 4.940 4.170 -0.000 0.000 0.295 187 I C -0.926 175.305 176.117 0.190 0.000 1.078 187 I CA -0.993 60.475 61.300 0.280 0.000 1.048 187 I CB 2.323 40.464 38.000 0.234 0.000 1.239 187 I HN 0.412 nan 8.210 nan 0.000 0.421 188 V N 3.836 123.785 119.914 0.059 0.000 3.114 188 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 188 V C -0.246 175.849 176.094 0.003 0.000 1.168 188 V CA -0.628 61.661 62.300 -0.019 0.000 1.015 188 V CB 1.596 33.279 31.823 -0.234 0.000 1.050 188 V HN 0.894 nan 8.190 nan 0.000 0.433 189 G N 0.182 109.003 108.800 0.035 0.000 2.719 189 G HA2 0.886 4.846 3.960 -0.000 0.000 0.298 189 G HA3 0.886 4.846 3.960 -0.000 0.000 0.298 189 G C -1.081 173.872 174.900 0.088 0.000 1.433 189 G CA -0.113 45.037 45.100 0.083 0.000 1.034 189 G HN 1.379 nan 8.290 nan 0.000 0.517 190 A N 1.176 124.079 122.820 0.138 0.000 2.475 190 A HA 0.904 5.224 4.320 -0.000 0.000 0.301 190 A C -1.875 175.846 177.584 0.229 0.000 1.059 190 A CA -0.776 51.336 52.037 0.125 0.000 0.710 190 A CB 2.009 21.041 19.000 0.053 0.000 1.288 190 A HN 1.673 nan 8.150 nan 0.000 0.408 191 Y N 0.107 120.403 120.300 -0.006 0.000 2.558 191 Y HA 0.595 5.145 4.550 -0.000 0.000 0.333 191 Y C -0.260 175.493 175.900 -0.245 0.000 1.125 191 Y CA 0.156 58.241 58.100 -0.026 0.000 1.039 191 Y CB 1.872 40.326 38.460 -0.009 0.000 1.331 191 Y HN 1.369 nan 8.280 nan 0.000 0.456 192 G N 2.178 110.254 108.800 -1.206 0.000 2.759 192 G HA2 0.737 4.697 3.960 -0.000 0.000 0.297 192 G HA3 0.737 4.697 3.960 -0.000 0.000 0.297 192 G C -2.208 172.085 174.900 -1.012 0.000 1.434 192 G CA -0.272 44.025 45.100 -1.339 0.000 0.980 192 G HN 1.046 nan 8.290 nan 0.000 0.531 193 A N -0.012 122.496 122.820 -0.519 0.000 2.454 193 A HA 1.096 5.415 4.320 -0.000 0.000 0.302 193 A C -0.110 177.536 177.584 0.104 0.000 1.079 193 A CA -0.053 51.886 52.037 -0.164 0.000 0.731 193 A CB 1.902 20.876 19.000 -0.044 0.000 1.299 193 A HN 2.459 nan 8.150 nan 0.000 0.413 194 A N 0.910 123.754 122.820 0.039 0.000 2.610 194 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 194 A C -1.605 175.996 177.584 0.028 0.000 1.086 194 A CA -0.688 51.418 52.037 0.115 0.000 0.677 194 A CB 0.879 20.035 19.000 0.261 0.000 1.278 194 A HN 0.686 nan 8.150 nan 0.000 0.414 195 D N 0.900 121.360 120.400 0.099 0.000 2.341 195 D HA 0.402 5.042 4.640 -0.000 0.000 0.245 195 D C -0.053 176.314 176.300 0.111 0.000 1.106 195 D CA 0.355 54.398 54.000 0.071 0.000 0.905 195 D CB 0.772 41.618 40.800 0.075 0.000 1.202 195 D HN 0.407 nan 8.370 nan 0.000 0.426 196 R N 0.295 120.824 120.500 0.049 0.000 2.407 196 R HA 0.351 4.691 4.340 -0.000 0.000 0.303 196 R C 0.389 176.711 176.300 0.036 0.000 0.981 196 R CA -0.664 55.470 56.100 0.057 0.000 0.905 196 R CB 1.191 31.470 30.300 -0.034 0.000 1.099 196 R HN 0.440 nan 8.270 nan 0.000 0.459 197 T N -0.514 114.057 114.554 0.028 0.000 2.828 197 T HA 0.054 4.404 4.350 -0.000 0.000 0.290 197 T C 1.166 175.876 174.700 0.017 0.000 1.019 197 T CA -0.796 61.315 62.100 0.017 0.000 1.031 197 T CB 0.698 69.568 68.868 0.004 0.000 1.001 197 T HN 0.383 nan 8.240 nan 0.000 0.531 198 N N 0.068 118.779 118.700 0.018 0.000 2.037 198 N HA -0.126 4.614 4.740 -0.000 0.000 0.196 198 N C 1.639 177.165 175.510 0.025 0.000 1.034 198 N CA 1.133 54.195 53.050 0.020 0.000 0.861 198 N CB -0.827 37.670 38.487 0.017 0.000 1.039 198 N HN 0.598 nan 8.380 nan 0.000 0.427 199 L N 1.747 122.987 121.223 0.027 0.000 2.046 199 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 199 L C 2.134 179.042 176.870 0.064 0.000 1.077 199 L CA 1.624 56.487 54.840 0.038 0.000 0.747 199 L CB -0.755 41.323 42.059 0.032 0.000 0.896 199 L HN 0.220 nan 8.230 nan 0.000 0.432 200 Q N -0.663 119.174 119.800 0.063 0.000 2.084 200 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 200 Q C 2.038 178.089 176.000 0.085 0.000 0.978 200 Q CA 1.927 57.788 55.803 0.096 0.000 0.844 200 Q CB -0.159 28.565 28.738 -0.024 0.000 0.898 200 Q HN 0.634 nan 8.270 nan 0.000 0.426 201 E N 0.071 120.296 120.200 0.041 0.000 2.268 201 E HA -0.102 4.248 4.350 -0.000 0.000 0.195 201 E C 1.470 178.100 176.600 0.050 0.000 0.995 201 E CA 0.672 57.095 56.400 0.038 0.000 0.836 201 E CB 0.035 29.747 29.700 0.021 0.000 0.763 201 E HN 0.274 nan 8.360 nan 0.000 0.491 202 A N 1.023 123.873 122.820 0.052 0.000 2.238 202 A HA -0.033 4.287 4.320 -0.000 0.000 0.208 202 A C 0.863 178.479 177.584 0.054 0.000 1.177 202 A CA 0.170 52.234 52.037 0.045 0.000 0.804 202 A CB 0.122 19.144 19.000 0.036 0.000 0.823 202 A HN 0.022 nan 8.150 nan 0.000 0.482 203 Q N -0.255 119.593 119.800 0.080 0.000 2.340 203 Q HA 0.211 4.551 4.340 -0.000 0.000 0.249 203 Q C -1.641 174.399 176.000 0.067 0.000 0.957 203 Q CA -1.877 53.977 55.803 0.084 0.000 0.882 203 Q CB 0.240 29.067 28.738 0.147 0.000 1.235 203 Q HN 0.139 nan 8.270 nan 0.000 0.439 204 P HA -0.074 nan 4.420 nan 0.000 0.215 204 P C -0.016 177.309 177.300 0.042 0.000 1.157 204 P CA 1.083 64.204 63.100 0.035 0.000 0.863 204 P CB 0.271 31.983 31.700 0.021 0.000 0.787 205 L N -1.012 120.237 121.223 0.042 0.000 2.334 205 L HA 0.549 4.889 4.340 -0.000 0.000 0.277 205 L C 0.714 177.642 176.870 0.097 0.000 1.075 205 L CA -0.281 54.588 54.840 0.048 0.000 0.804 205 L CB 0.345 42.412 42.059 0.014 0.000 1.174 205 L HN 0.158 nan 8.230 nan 0.000 0.438 206 G N 1.981 110.834 108.800 0.087 0.000 2.721 206 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.686 206 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.686 206 G C -1.149 173.795 174.900 0.073 0.000 1.236 206 G CA -0.765 44.397 45.100 0.103 0.000 0.786 206 G HN 0.759 nan 8.290 nan 0.000 0.616 207 N N 0.624 119.354 118.700 0.049 0.000 2.572 207 N HA 0.763 5.503 4.740 -0.000 0.000 0.287 207 N C 0.076 175.595 175.510 0.014 0.000 1.136 207 N CA 1.120 54.189 53.050 0.032 0.000 0.900 207 N CB 1.373 39.878 38.487 0.030 0.000 1.484 207 N HN 1.975 nan 8.380 nan 0.000 0.526 208 G N 1.422 110.223 108.800 0.002 0.000 2.349 208 G HA2 0.259 4.219 3.960 -0.000 0.000 0.294 208 G HA3 0.259 4.219 3.960 -0.000 0.000 0.294 208 G C -0.846 174.041 174.900 -0.021 0.000 1.380 208 G CA -0.634 44.459 45.100 -0.011 0.000 0.811 208 G HN 0.314 nan 8.290 nan 0.000 0.519 209 K N -0.724 119.663 120.400 -0.021 0.000 2.447 209 K HA 0.314 4.633 4.320 -0.000 0.000 0.205 209 K C -0.045 176.536 176.600 -0.031 0.000 1.059 209 K CA -0.073 56.203 56.287 -0.018 0.000 1.065 209 K CB 1.061 33.560 32.500 -0.001 0.000 0.885 209 K HN 0.205 nan 8.250 nan 0.000 0.545 210 K N 0.780 121.144 120.400 -0.060 0.000 2.502 210 K HA 0.563 4.883 4.320 -0.000 0.000 0.257 210 K C -1.918 174.574 176.600 -0.180 0.000 0.938 210 K CA -0.482 55.752 56.287 -0.088 0.000 0.819 210 K CB 2.131 34.607 32.500 -0.040 0.000 1.333 210 K HN 0.033 nan 8.250 nan 0.000 0.434 211 A N 2.810 125.438 122.820 -0.321 0.000 2.331 211 A HA 0.674 4.993 4.320 -0.000 0.000 0.320 211 A C -1.208 176.143 177.584 -0.388 0.000 1.138 211 A CA -0.556 51.168 52.037 -0.521 0.000 0.790 211 A CB 0.745 18.967 19.000 -1.297 0.000 1.206 211 A HN 0.727 nan 8.150 nan 0.000 0.470 212 E N 0.936 120.988 120.200 -0.247 0.000 2.312 212 E HA 0.625 4.974 4.350 -0.000 0.000 0.267 212 E C -1.363 175.163 176.600 -0.124 0.000 0.894 212 E CA -0.698 55.599 56.400 -0.172 0.000 0.773 212 E CB 2.315 32.015 29.700 0.000 0.000 1.241 212 E HN 0.671 nan 8.360 nan 0.000 0.432 213 Q N 2.023 121.730 119.800 -0.154 0.000 2.327 213 Q HA 0.349 4.689 4.340 -0.000 0.000 0.265 213 Q C -1.693 174.293 176.000 -0.023 0.000 0.993 213 Q CA -0.822 54.928 55.803 -0.087 0.000 0.885 213 Q CB 2.085 30.814 28.738 -0.014 0.000 1.379 213 Q HN 0.596 nan 8.270 nan 0.000 0.408 214 W N 1.246 122.525 121.300 -0.035 0.000 3.256 214 W HA 0.911 5.571 4.660 -0.000 0.000 0.324 214 W C -1.984 174.525 176.519 -0.017 0.000 1.196 214 W CA -0.947 56.421 57.345 0.038 0.000 1.206 214 W CB 0.792 30.394 29.460 0.236 0.000 1.385 214 W HN 0.749 nan 8.180 nan 0.000 0.522 215 A N 2.261 125.151 122.820 0.116 0.000 2.539 215 A HA 0.867 5.187 4.320 -0.000 0.000 0.296 215 A C -0.654 177.012 177.584 0.138 0.000 1.073 215 A CA -0.520 51.463 52.037 -0.089 0.000 0.700 215 A CB 1.766 20.665 19.000 -0.169 0.000 1.296 215 A HN 0.857 nan 8.150 nan 0.000 0.405 216 T N -1.365 113.261 114.554 0.120 0.000 2.916 216 T HA 0.865 5.215 4.350 -0.000 0.000 0.292 216 T C -0.084 174.628 174.700 0.021 0.000 1.055 216 T CA -0.186 61.996 62.100 0.137 0.000 1.009 216 T CB 1.896 70.932 68.868 0.280 0.000 1.118 216 T HN 1.963 nan 8.240 nan 0.000 0.497 217 G N 0.756 109.525 108.800 -0.051 0.000 2.706 217 G HA2 0.656 4.616 3.960 -0.000 0.000 0.297 217 G HA3 0.656 4.616 3.960 -0.000 0.000 0.297 217 G C -2.000 173.014 174.900 0.190 0.000 1.403 217 G CA -0.838 44.230 45.100 -0.053 0.000 0.954 217 G HN 0.874 nan 8.290 nan 0.000 0.500 218 L N 0.664 122.100 121.223 0.356 0.000 2.388 218 L HA 0.824 5.164 4.340 -0.000 0.000 0.264 218 L C -0.500 176.528 176.870 0.262 0.000 0.998 218 L CA -0.846 54.196 54.840 0.336 0.000 0.817 218 L CB 2.646 44.829 42.059 0.206 0.000 1.338 218 L HN 0.825 nan 8.230 nan 0.000 0.414 219 K N 1.732 122.197 120.400 0.109 0.000 2.562 219 K HA 0.438 4.757 4.320 -0.000 0.000 0.267 219 K C -1.998 174.507 176.600 -0.158 0.000 0.938 219 K CA -0.896 55.260 56.287 -0.219 0.000 0.840 219 K CB 1.800 33.846 32.500 -0.757 0.000 1.390 219 K HN 0.311 nan 8.250 nan 0.000 0.428 220 Y N 1.919 121.962 120.300 -0.429 0.000 2.338 220 Y HA 0.396 4.946 4.550 0.000 0.000 0.328 220 Y C -1.595 173.988 175.900 -0.528 0.000 0.965 220 Y CA -1.022 56.783 58.100 -0.490 0.000 1.208 220 Y CB 1.704 39.925 38.460 -0.398 0.000 1.132 220 Y HN 0.836 nan 8.280 nan 0.000 0.469 221 D N 5.319 125.074 120.400 -1.075 0.000 2.404 221 D HA 0.681 5.321 4.640 -0.000 0.000 0.267 221 D C -1.411 174.399 176.300 -0.818 0.000 1.194 221 D CA 0.138 53.683 54.000 -0.758 0.000 0.910 221 D CB 0.504 41.054 40.800 -0.417 0.000 1.090 221 D HN 0.791 nan 8.370 nan 0.000 0.511 222 A N 2.709 124.996 122.820 -0.890 0.000 2.549 222 A HA 0.498 4.818 4.320 -0.000 0.000 0.291 222 A C -0.236 177.130 177.584 -0.364 0.000 1.034 222 A CA -0.668 51.014 52.037 -0.592 0.000 0.655 222 A CB 0.242 18.878 19.000 -0.606 0.000 1.299 222 A HN 0.438 nan 8.150 nan 0.000 0.427 223 N N 1.346 119.917 118.700 -0.216 0.000 2.740 223 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 223 N C 0.268 175.671 175.510 -0.177 0.000 1.062 223 N CA 0.687 53.664 53.050 -0.121 0.000 0.704 223 N CB -0.927 37.560 38.487 0.000 0.000 0.968 223 N HN 0.817 nan 8.380 nan 0.000 0.547 224 N N -2.331 116.190 118.700 -0.297 0.000 2.863 224 N HA -0.199 4.540 4.740 -0.000 0.000 0.245 224 N C -0.539 174.662 175.510 -0.516 0.000 1.001 224 N CA 1.606 54.348 53.050 -0.514 0.000 0.901 224 N CB -0.991 37.014 38.487 -0.804 0.000 1.124 224 N HN 0.604 nan 8.380 nan 0.000 0.582 225 I N -0.099 120.333 120.570 -0.231 0.000 2.460 225 I HA 0.356 4.526 4.170 -0.000 0.000 0.298 225 I C -0.395 175.687 176.117 -0.059 0.000 0.989 225 I CA -0.877 60.395 61.300 -0.047 0.000 1.173 225 I CB 1.560 39.645 38.000 0.141 0.000 1.338 225 I HN -0.056 nan 8.210 nan 0.000 0.456 226 Y N 6.634 126.878 120.300 -0.094 0.000 2.373 226 Y HA 0.571 5.121 4.550 0.000 0.000 0.327 226 Y C -1.588 174.291 175.900 -0.034 0.000 1.036 226 Y CA -0.565 57.462 58.100 -0.121 0.000 1.265 226 Y CB 1.003 39.374 38.460 -0.148 0.000 1.108 226 Y HN 0.355 nan 8.280 nan 0.000 0.471 227 L N 5.763 126.765 121.223 -0.368 0.000 2.349 227 L HA 0.948 5.288 4.340 -0.000 0.000 0.278 227 L C -0.509 176.128 176.870 -0.388 0.000 0.996 227 L CA -0.919 53.808 54.840 -0.189 0.000 0.825 227 L CB 1.659 43.702 42.059 -0.026 0.000 1.243 227 L HN 0.689 nan 8.230 nan 0.000 0.412 228 A N 2.892 125.566 122.820 -0.242 0.000 2.454 228 A HA 0.990 5.310 4.320 -0.000 0.000 0.302 228 A C -1.135 176.476 177.584 0.044 0.000 1.079 228 A CA -0.474 51.460 52.037 -0.171 0.000 0.731 228 A CB 2.079 21.009 19.000 -0.117 0.000 1.299 228 A HN 0.759 nan 8.150 nan 0.000 0.413 229 A N 1.372 124.268 122.820 0.127 0.000 2.455 229 A HA 0.777 5.097 4.320 -0.000 0.000 0.300 229 A C -0.926 176.752 177.584 0.157 0.000 1.040 229 A CA -0.600 51.518 52.037 0.135 0.000 0.697 229 A CB 1.186 20.255 19.000 0.115 0.000 1.265 229 A HN 0.855 nan 8.150 nan 0.000 0.407 230 N N -0.076 118.690 118.700 0.110 0.000 2.225 230 N HA 0.626 5.365 4.740 -0.000 0.000 0.298 230 N C -1.857 173.703 175.510 0.084 0.000 1.076 230 N CA -0.323 52.767 53.050 0.065 0.000 0.792 230 N CB 2.230 40.711 38.487 -0.009 0.000 1.498 230 N HN 0.651 nan 8.380 nan 0.000 0.474 231 Y N 0.771 121.043 120.300 -0.047 0.000 2.396 231 Y HA 0.700 5.250 4.550 -0.000 0.000 0.332 231 Y C -0.633 175.122 175.900 -0.241 0.000 1.034 231 Y CA -0.479 57.567 58.100 -0.091 0.000 1.057 231 Y CB 1.326 39.780 38.460 -0.011 0.000 1.220 231 Y HN 0.585 nan 8.280 nan 0.000 0.440 232 G N 3.881 111.934 108.800 -1.245 0.000 2.708 232 G HA2 0.673 4.632 3.960 -0.000 0.000 0.289 232 G HA3 0.673 4.632 3.960 -0.000 0.000 0.289 232 G C -1.788 172.274 174.900 -1.396 0.000 1.416 232 G CA -0.942 43.370 45.100 -1.312 0.000 0.829 232 G HN 0.545 nan 8.290 nan 0.000 0.480 233 E N -1.310 118.057 120.200 -1.389 0.000 2.433 233 E HA 0.673 5.023 4.350 -0.000 0.000 0.278 233 E C -1.020 175.285 176.600 -0.491 0.000 0.976 233 E CA -0.871 55.063 56.400 -0.776 0.000 0.793 233 E CB 2.784 32.192 29.700 -0.487 0.000 1.311 233 E HN 0.745 nan 8.360 nan 0.000 0.460 234 T N -0.895 113.536 114.554 -0.204 0.000 2.868 234 T HA 0.644 4.994 4.350 -0.000 0.000 0.306 234 T C -1.263 173.423 174.700 -0.023 0.000 1.224 234 T CA -1.122 60.920 62.100 -0.096 0.000 1.012 234 T CB 1.549 70.372 68.868 -0.075 0.000 1.221 234 T HN 0.235 nan 8.240 nan 0.000 0.499 235 R N 2.099 122.587 120.500 -0.021 0.000 2.532 235 R HA 0.468 4.808 4.340 -0.000 0.000 0.297 235 R C -0.216 176.052 176.300 -0.053 0.000 0.984 235 R CA -0.778 55.317 56.100 -0.009 0.000 0.884 235 R CB 0.982 31.289 30.300 0.012 0.000 1.182 235 R HN 0.928 nan 8.270 nan 0.000 0.442 236 N N 0.949 119.640 118.700 -0.015 0.000 2.686 236 N HA -0.260 4.479 4.740 -0.000 0.000 0.249 236 N C 0.256 175.707 175.510 -0.098 0.000 1.082 236 N CA 1.348 54.385 53.050 -0.022 0.000 0.725 236 N CB -0.497 37.940 38.487 -0.084 0.000 1.009 236 N HN 0.784 nan 8.380 nan 0.000 0.545 237 A N -1.242 121.577 122.820 -0.001 0.000 2.026 237 A HA 0.146 4.465 4.320 -0.000 0.000 0.198 237 A C 0.896 178.667 177.584 0.312 0.000 1.390 237 A CA 0.481 52.549 52.037 0.052 0.000 0.915 237 A CB 0.244 19.208 19.000 -0.059 0.000 0.974 237 A HN 0.196 nan 8.150 nan 0.000 0.477 238 T N 4.341 118.991 114.554 0.160 0.000 2.799 238 T HA 0.357 4.706 4.350 -0.000 0.000 0.296 238 T C -2.643 172.007 174.700 -0.083 0.000 0.947 238 T CA -0.628 61.455 62.100 -0.029 0.000 1.141 238 T CB 0.791 69.630 68.868 -0.049 0.000 0.891 238 T HN 0.252 nan 8.240 nan 0.000 0.533 239 P HA 0.349 nan 4.420 nan 0.000 0.276 239 P C -0.586 176.469 177.300 -0.409 0.000 1.235 239 P CA -0.394 62.338 63.100 -0.613 0.000 0.772 239 P CB 0.429 31.770 31.700 -0.599 0.000 0.871 240 I N -0.616 119.742 120.570 -0.353 0.000 2.769 240 I HA 0.640 4.809 4.170 -0.000 0.000 0.298 240 I C -1.037 174.966 176.117 -0.191 0.000 1.128 240 I CA -0.767 60.409 61.300 -0.206 0.000 1.031 240 I CB 2.676 40.601 38.000 -0.125 0.000 1.235 240 I HN 0.039 nan 8.210 nan 0.000 0.423 241 T N 3.169 117.634 114.554 -0.148 0.000 2.861 241 T HA 0.324 4.674 4.350 -0.000 0.000 0.287 241 T C -0.548 174.074 174.700 -0.130 0.000 1.003 241 T CA -0.486 61.533 62.100 -0.135 0.000 0.977 241 T CB 1.245 70.034 68.868 -0.132 0.000 0.996 241 T HN 0.631 nan 8.240 nan 0.000 0.448 242 N N 2.189 120.823 118.700 -0.110 0.000 2.462 242 N HA 0.179 4.919 4.740 -0.000 0.000 0.242 242 N C 0.936 176.343 175.510 -0.173 0.000 1.010 242 N CA -0.348 52.628 53.050 -0.124 0.000 0.939 242 N CB 0.799 39.270 38.487 -0.027 0.000 1.127 242 N HN 0.493 nan 8.380 nan 0.000 0.509 243 K N 2.281 122.477 120.400 -0.341 0.000 2.209 243 K HA -0.092 4.228 4.320 -0.000 0.000 0.204 243 K C 0.827 177.296 176.600 -0.220 0.000 1.048 243 K CA 1.260 57.352 56.287 -0.326 0.000 0.940 243 K CB 0.030 32.276 32.500 -0.423 0.000 0.729 243 K HN 0.399 nan 8.250 nan 0.000 0.451 244 F N 0.740 120.688 119.950 -0.004 0.000 2.074 244 F HA -0.137 4.390 4.527 -0.000 0.000 0.293 244 F C 2.863 178.662 175.800 -0.003 0.000 1.116 244 F CA 1.444 59.443 58.000 -0.001 0.000 1.212 244 F CB -1.413 37.588 39.000 0.001 0.000 0.998 244 F HN 0.054 nan 8.300 nan 0.000 0.471 245 T N -3.141 111.524 114.554 0.185 0.000 3.088 245 T HA 0.032 4.382 4.350 -0.000 0.000 0.259 245 T C 0.668 175.394 174.700 0.044 0.000 1.122 245 T CA 0.703 62.861 62.100 0.097 0.000 1.095 245 T CB -0.919 67.997 68.868 0.080 0.000 0.930 245 T HN 0.415 nan 8.240 nan 0.000 0.508 246 N N 0.475 119.185 118.700 0.015 0.000 2.776 246 N HA -0.128 4.611 4.740 -0.000 0.000 0.249 246 N C -0.826 174.672 175.510 -0.021 0.000 1.111 246 N CA 0.648 53.690 53.050 -0.014 0.000 0.711 246 N CB -1.591 36.894 38.487 -0.003 0.000 1.065 246 N HN 0.416 nan 8.380 nan 0.000 0.556 247 T N 0.029 114.571 114.554 -0.020 0.000 2.922 247 T HA 0.613 4.963 4.350 -0.000 0.000 0.285 247 T C 0.151 174.819 174.700 -0.053 0.000 1.005 247 T CA -0.169 61.918 62.100 -0.022 0.000 1.061 247 T CB 1.570 70.436 68.868 -0.002 0.000 1.007 247 T HN 0.083 nan 8.240 nan 0.000 0.502 248 S N -0.143 115.520 115.700 -0.061 0.000 2.618 248 S HA 0.945 5.415 4.470 -0.000 0.000 0.277 248 S C 0.083 174.617 174.600 -0.110 0.000 1.138 248 S CA -0.463 57.670 58.200 -0.112 0.000 0.844 248 S CB 2.177 65.297 63.200 -0.134 0.000 1.127 248 S HN 1.164 nan 8.310 nan 0.000 0.474 249 G N 0.289 108.955 108.800 -0.223 0.000 2.455 249 G HA2 0.440 4.400 3.960 -0.000 0.000 0.223 249 G HA3 0.440 4.400 3.960 -0.000 0.000 0.223 249 G C -2.358 172.257 174.900 -0.475 0.000 1.226 249 G CA -0.661 44.331 45.100 -0.181 0.000 0.948 249 G HN 0.452 nan 8.290 nan 0.000 0.478 250 F N 1.001 120.936 119.950 -0.024 0.000 2.577 250 F HA 0.790 5.317 4.527 -0.000 0.000 0.318 250 F C 0.791 176.573 175.800 -0.031 0.000 1.065 250 F CA -0.346 57.633 58.000 -0.036 0.000 0.929 250 F CB 2.128 41.121 39.000 -0.012 0.000 1.237 250 F HN 0.732 nan 8.300 nan 0.000 0.468 251 A N 1.850 124.736 122.820 0.109 0.000 2.477 251 A HA 0.205 4.525 4.320 -0.000 0.000 0.246 251 A C 1.086 178.715 177.584 0.074 0.000 1.078 251 A CA -0.388 51.685 52.037 0.060 0.000 0.770 251 A CB 0.053 19.068 19.000 0.026 0.000 1.011 251 A HN 0.852 nan 8.150 nan 0.000 0.494 252 N N 0.514 119.247 118.700 0.055 0.000 2.120 252 N HA -0.068 4.672 4.740 -0.000 0.000 0.188 252 N C 0.381 175.913 175.510 0.036 0.000 1.024 252 N CA 1.271 54.348 53.050 0.046 0.000 0.852 252 N CB 0.011 38.522 38.487 0.040 0.000 1.003 252 N HN 0.599 nan 8.380 nan 0.000 0.424 253 K N 0.331 120.751 120.400 0.033 0.000 2.546 253 K HA 0.248 4.568 4.320 -0.000 0.000 0.264 253 K C -1.304 175.305 176.600 0.014 0.000 0.937 253 K CA -0.240 56.063 56.287 0.026 0.000 0.833 253 K CB 1.930 34.454 32.500 0.040 0.000 1.378 253 K HN 0.155 nan 8.250 nan 0.000 0.432 254 T N -0.295 114.252 114.554 -0.011 0.000 2.900 254 T HA 0.565 4.915 4.350 -0.000 0.000 0.303 254 T C -1.082 173.570 174.700 -0.079 0.000 1.142 254 T CA -0.786 61.295 62.100 -0.031 0.000 1.007 254 T CB 1.835 70.683 68.868 -0.033 0.000 1.156 254 T HN 0.421 nan 8.240 nan 0.000 0.490 255 Q N 1.683 121.441 119.800 -0.070 0.000 2.310 255 Q HA 0.436 4.776 4.340 -0.000 0.000 0.270 255 Q C -1.501 174.414 176.000 -0.141 0.000 1.025 255 Q CA -0.905 54.833 55.803 -0.108 0.000 0.772 255 Q CB 1.992 30.782 28.738 0.085 0.000 1.253 255 Q HN 0.675 nan 8.270 nan 0.000 0.450 256 D N 2.242 122.439 120.400 -0.337 0.000 2.375 256 D HA 0.445 5.084 4.640 -0.000 0.000 0.247 256 D C -0.747 175.429 176.300 -0.207 0.000 1.061 256 D CA -0.447 53.405 54.000 -0.247 0.000 0.834 256 D CB 2.557 43.210 40.800 -0.244 0.000 1.247 256 D HN 0.125 nan 8.370 nan 0.000 0.489 257 V N 2.327 122.191 119.914 -0.082 0.000 2.531 257 V HA 0.450 4.570 4.120 -0.000 0.000 0.301 257 V C -0.607 175.427 176.094 -0.101 0.000 1.034 257 V CA -0.804 61.504 62.300 0.014 0.000 0.865 257 V CB 2.157 34.055 31.823 0.124 0.000 0.995 257 V HN 0.375 nan 8.190 nan 0.000 0.424 258 L N 5.850 127.041 121.223 -0.053 0.000 2.410 258 L HA 0.689 5.029 4.340 -0.000 0.000 0.270 258 L C -0.709 176.167 176.870 0.011 0.000 0.983 258 L CA -0.328 54.458 54.840 -0.089 0.000 0.822 258 L CB 1.916 43.934 42.059 -0.069 0.000 1.285 258 L HN 0.548 nan 8.230 nan 0.000 0.409 259 L N 3.341 124.580 121.223 0.026 0.000 2.408 259 L HA 0.855 5.195 4.340 -0.000 0.000 0.268 259 L C -0.754 176.177 176.870 0.101 0.000 0.986 259 L CA -0.795 54.102 54.840 0.095 0.000 0.820 259 L CB 2.678 44.827 42.059 0.149 0.000 1.303 259 L HN 0.206 nan 8.230 nan 0.000 0.411 260 V N 1.434 121.419 119.914 0.118 0.000 2.851 260 V HA 0.853 4.973 4.120 -0.000 0.000 0.307 260 V C -0.887 175.300 176.094 0.154 0.000 1.129 260 V CA -0.505 61.885 62.300 0.149 0.000 0.932 260 V CB 2.027 33.964 31.823 0.190 0.000 1.024 260 V HN 0.844 nan 8.190 nan 0.000 0.426 261 A N 4.298 127.215 122.820 0.162 0.000 2.427 261 A HA 0.918 5.238 4.320 -0.000 0.000 0.298 261 A C -1.015 176.671 177.584 0.170 0.000 1.036 261 A CA -0.501 51.627 52.037 0.152 0.000 0.701 261 A CB 1.904 20.976 19.000 0.119 0.000 1.250 261 A HN 0.767 nan 8.150 nan 0.000 0.412 262 Q N -0.020 119.893 119.800 0.187 0.000 2.511 262 Q HA 0.590 4.929 4.340 -0.000 0.000 0.289 262 Q C -2.069 174.031 176.000 0.167 0.000 1.021 262 Q CA -0.722 55.180 55.803 0.164 0.000 0.785 262 Q CB 2.860 31.670 28.738 0.120 0.000 1.472 262 Q HN 0.752 nan 8.270 nan 0.000 0.411 263 Y N 0.671 120.956 120.300 -0.025 0.000 2.441 263 Y HA 0.316 4.865 4.550 -0.001 0.000 0.334 263 Y C -1.519 174.261 175.900 -0.201 0.000 1.061 263 Y CA -0.610 57.399 58.100 -0.153 0.000 1.032 263 Y CB 2.182 40.486 38.460 -0.260 0.000 1.266 263 Y HN 0.562 nan 8.280 nan 0.000 0.441 264 Q N 5.269 124.601 119.800 -0.780 0.000 2.398 264 Q HA 0.406 4.746 4.340 -0.000 0.000 0.251 264 Q C -1.780 173.809 176.000 -0.684 0.000 0.999 264 Q CA -0.242 55.242 55.803 -0.531 0.000 0.874 264 Q CB 0.232 28.714 28.738 -0.427 0.000 1.215 264 Q HN 0.564 nan 8.270 nan 0.000 0.470 265 F N 1.785 121.539 119.950 -0.327 0.000 2.450 265 F HA 0.073 4.600 4.527 0.000 0.000 0.339 265 F C 1.349 176.916 175.800 -0.389 0.000 1.146 265 F CA 0.195 57.989 58.000 -0.344 0.000 1.267 265 F CB 0.810 39.314 39.000 -0.827 0.000 1.178 265 F HN 0.609 nan 8.300 nan 0.000 0.585 266 D N 1.370 121.771 120.400 0.001 0.000 2.264 266 D HA -0.172 4.468 4.640 -0.000 0.000 0.208 266 D C 1.705 178.051 176.300 0.076 0.000 0.966 266 D CA 1.255 55.271 54.000 0.027 0.000 0.864 266 D CB -0.216 40.654 40.800 0.118 0.000 0.933 266 D HN 0.483 nan 8.370 nan 0.000 0.499 267 F N -1.932 118.108 119.950 0.151 0.000 2.797 267 F HA 0.437 4.964 4.527 -0.000 0.000 0.302 267 F C 1.541 177.350 175.800 0.015 0.000 1.130 267 F CA 0.270 58.336 58.000 0.110 0.000 1.387 267 F CB 0.091 39.178 39.000 0.145 0.000 1.107 267 F HN -0.053 nan 8.300 nan 0.000 0.577 268 G N 0.708 109.359 108.800 -0.249 0.000 2.231 268 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.206 268 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.206 268 G C -0.369 174.280 174.900 -0.418 0.000 0.996 268 G CA -0.166 44.677 45.100 -0.428 0.000 0.645 268 G HN 0.406 nan 8.290 nan 0.000 0.498 269 L N 1.864 122.899 121.223 -0.313 0.000 2.290 269 L HA 0.748 5.088 4.340 -0.000 0.000 0.284 269 L C 0.645 177.584 176.870 0.114 0.000 1.078 269 L CA -0.549 54.283 54.840 -0.013 0.000 0.815 269 L CB 0.847 42.960 42.059 0.091 0.000 1.162 269 L HN 0.255 nan 8.230 nan 0.000 0.435 270 R N 7.519 128.103 120.500 0.140 0.000 2.363 270 R HA 0.479 4.819 4.340 -0.000 0.000 0.297 270 R C -2.685 173.718 176.300 0.172 0.000 1.208 270 R CA -1.683 54.509 56.100 0.152 0.000 1.121 270 R CB 0.840 31.235 30.300 0.159 0.000 1.124 270 R HN 0.446 nan 8.270 nan 0.000 0.561 271 P HA 0.058 nan 4.420 nan 0.000 0.274 271 P C -0.953 176.449 177.300 0.171 0.000 1.237 271 P CA -0.209 63.021 63.100 0.216 0.000 0.793 271 P CB 1.660 33.526 31.700 0.277 0.000 0.977 272 S N 1.523 117.316 115.700 0.154 0.000 2.541 272 S HA 0.658 5.127 4.470 -0.000 0.000 0.280 272 S C -1.319 173.373 174.600 0.153 0.000 1.112 272 S CA -0.690 57.594 58.200 0.140 0.000 0.925 272 S CB 0.540 63.806 63.200 0.110 0.000 1.067 272 S HN 0.189 nan 8.310 nan 0.000 0.479 273 I N 3.101 123.764 120.570 0.156 0.000 2.534 273 I HA 0.753 4.923 4.170 -0.000 0.000 0.288 273 I C 0.006 176.229 176.117 0.177 0.000 1.077 273 I CA -0.396 61.006 61.300 0.169 0.000 1.051 273 I CB 1.133 39.226 38.000 0.156 0.000 1.234 273 I HN 0.926 nan 8.210 nan 0.000 0.425 274 A N 5.806 128.747 122.820 0.200 0.000 2.569 274 A HA 0.859 5.178 4.320 -0.000 0.000 0.290 274 A C -2.229 175.454 177.584 0.165 0.000 1.136 274 A CA -0.521 51.619 52.037 0.172 0.000 0.710 274 A CB 2.478 21.567 19.000 0.149 0.000 1.303 274 A HN 0.580 nan 8.150 nan 0.000 0.413 275 Y N 0.029 120.251 120.300 -0.130 0.000 2.441 275 Y HA 0.657 5.207 4.550 -0.000 0.000 0.334 275 Y C -0.832 174.784 175.900 -0.474 0.000 1.061 275 Y CA -0.238 57.620 58.100 -0.403 0.000 1.032 275 Y CB 2.168 40.397 38.460 -0.385 0.000 1.266 275 Y HN 0.714 nan 8.280 nan 0.000 0.441 276 T N 6.544 120.152 114.554 -1.577 0.000 2.912 276 T HA 0.525 4.875 4.350 -0.000 0.000 0.299 276 T C -1.679 172.256 174.700 -1.276 0.000 1.052 276 T CA -0.996 60.355 62.100 -1.249 0.000 0.996 276 T CB 1.706 69.911 68.868 -1.106 0.000 1.070 276 T HN 0.581 nan 8.240 nan 0.000 0.465 277 K N 1.388 121.332 120.400 -0.760 0.000 2.565 277 K HA 0.573 4.892 4.320 -0.000 0.000 0.251 277 K C -1.676 174.784 176.600 -0.234 0.000 0.956 277 K CA -0.513 55.496 56.287 -0.465 0.000 0.809 277 K CB 1.759 34.051 32.500 -0.346 0.000 1.267 277 K HN 0.597 nan 8.250 nan 0.000 0.438 278 S N 3.970 119.583 115.700 -0.146 0.000 2.647 278 S HA 0.472 4.942 4.470 -0.000 0.000 0.300 278 S C -1.766 172.814 174.600 -0.034 0.000 1.129 278 S CA -0.833 57.322 58.200 -0.075 0.000 1.029 278 S CB 0.571 63.749 63.200 -0.037 0.000 1.007 278 S HN 0.604 nan 8.310 nan 0.000 0.484 279 K N 2.924 123.313 120.400 -0.019 0.000 2.376 279 K HA 0.832 5.152 4.320 -0.000 0.000 0.257 279 K C -0.447 176.159 176.600 0.009 0.000 0.939 279 K CA -0.917 55.372 56.287 0.003 0.000 0.809 279 K CB 1.801 34.309 32.500 0.015 0.000 1.121 279 K HN 0.475 nan 8.250 nan 0.000 0.425 280 A N 3.511 126.339 122.820 0.013 0.000 2.340 280 A HA 0.388 4.708 4.320 -0.000 0.000 0.268 280 A C -0.737 176.862 177.584 0.024 0.000 1.100 280 A CA -0.586 51.460 52.037 0.016 0.000 0.803 280 A CB 0.399 19.406 19.000 0.013 0.000 1.043 280 A HN 0.792 nan 8.150 nan 0.000 0.488 281 K N 1.063 121.480 120.400 0.027 0.000 2.371 281 K HA 0.439 4.759 4.320 -0.000 0.000 0.251 281 K C -1.140 175.480 176.600 0.033 0.000 0.934 281 K CA -0.792 55.515 56.287 0.033 0.000 0.798 281 K CB 1.580 34.103 32.500 0.039 0.000 1.204 281 K HN 0.687 nan 8.250 nan 0.000 0.427 282 D N -0.245 120.175 120.400 0.033 0.000 3.041 282 D HA -0.142 4.498 4.640 -0.000 0.000 0.220 282 D C -0.160 176.160 176.300 0.032 0.000 1.157 282 D CA 0.587 54.606 54.000 0.033 0.000 0.876 282 D CB -1.762 39.058 40.800 0.033 0.000 1.107 282 D HN 0.180 nan 8.370 nan 0.000 0.422 283 V N 2.207 122.140 119.914 0.031 0.000 2.539 283 V HA -0.124 3.996 4.120 -0.000 0.000 0.300 283 V C 1.294 177.406 176.094 0.031 0.000 1.019 283 V CA 0.314 62.632 62.300 0.030 0.000 1.160 283 V CB 0.406 32.245 31.823 0.026 0.000 0.901 283 V HN 0.092 nan 8.190 nan 0.000 0.481 284 E N 5.290 125.509 120.200 0.032 0.000 2.603 284 E HA 0.135 4.485 4.350 -0.000 0.000 0.242 284 E C 1.207 177.827 176.600 0.032 0.000 1.083 284 E CA 0.757 57.176 56.400 0.031 0.000 0.950 284 E CB -0.358 29.361 29.700 0.032 0.000 0.952 284 E HN 1.038 nan 8.360 nan 0.000 0.498 285 G N 2.878 111.698 108.800 0.032 0.000 2.349 285 G HA2 -0.304 3.655 3.960 -0.000 0.000 0.213 285 G HA3 -0.304 3.655 3.960 -0.000 0.000 0.213 285 G C 0.760 175.683 174.900 0.039 0.000 1.044 285 G CA 0.101 45.222 45.100 0.035 0.000 0.633 285 G HN 0.441 nan 8.290 nan 0.000 0.506 286 I N 1.368 121.963 120.570 0.042 0.000 2.810 286 I HA 0.536 4.705 4.170 -0.000 0.000 0.262 286 I C 2.145 178.286 176.117 0.040 0.000 1.131 286 I CA 2.233 63.562 61.300 0.048 0.000 1.453 286 I CB -0.239 37.794 38.000 0.056 0.000 1.161 286 I HN 1.448 nan 8.210 nan 0.000 0.444 287 G N 0.149 108.970 108.800 0.036 0.000 2.826 287 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.233 287 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.233 287 G C -0.995 173.926 174.900 0.034 0.000 1.296 287 G CA -0.269 44.851 45.100 0.033 0.000 1.001 287 G HN 0.188 nan 8.290 nan 0.000 0.576 288 D N 1.137 121.557 120.400 0.034 0.000 2.232 288 D HA 0.577 5.216 4.640 -0.000 0.000 0.242 288 D C 0.102 176.424 176.300 0.035 0.000 1.093 288 D CA 0.214 54.234 54.000 0.034 0.000 0.845 288 D CB 1.735 42.556 40.800 0.034 0.000 1.124 288 D HN 0.789 nan 8.370 nan 0.000 0.467 289 V N 1.024 120.957 119.914 0.032 0.000 2.733 289 V HA 0.328 4.448 4.120 -0.000 0.000 0.306 289 V C -0.433 175.677 176.094 0.026 0.000 1.084 289 V CA -1.161 61.159 62.300 0.033 0.000 0.905 289 V CB 2.215 34.058 31.823 0.033 0.000 1.010 289 V HN 0.259 nan 8.190 nan 0.000 0.424 290 D N 2.369 122.785 120.400 0.027 0.000 2.382 290 D HA 0.453 5.093 4.640 -0.000 0.000 0.245 290 D C 0.783 177.095 176.300 0.021 0.000 1.120 290 D CA 0.035 54.047 54.000 0.019 0.000 0.890 290 D CB 1.832 42.644 40.800 0.020 0.000 1.201 290 D HN 0.483 nan 8.370 nan 0.000 0.433 291 L N 0.847 122.081 121.223 0.019 0.000 2.467 291 L HA 0.226 4.566 4.340 -0.000 0.000 0.213 291 L C 0.081 176.986 176.870 0.057 0.000 1.053 291 L CA 0.265 55.126 54.840 0.035 0.000 0.847 291 L CB 0.376 42.463 42.059 0.047 0.000 1.075 291 L HN 0.122 nan 8.230 nan 0.000 0.479 292 V N 0.066 120.000 119.914 0.034 0.000 2.808 292 V HA 0.494 4.614 4.120 -0.000 0.000 0.308 292 V C -1.314 174.736 176.094 -0.073 0.000 1.099 292 V CA -0.688 61.643 62.300 0.051 0.000 0.920 292 V CB 2.074 33.931 31.823 0.056 0.000 1.014 292 V HN 0.209 nan 8.190 nan 0.000 0.425 293 N N 3.305 121.963 118.700 -0.069 0.000 2.905 293 N HA 0.426 5.165 4.740 -0.000 0.000 0.255 293 N C -1.504 173.923 175.510 -0.138 0.000 1.199 293 N CA -0.364 52.560 53.050 -0.210 0.000 0.911 293 N CB 1.517 39.961 38.487 -0.071 0.000 1.550 293 N HN 0.767 nan 8.380 nan 0.000 0.599 294 Y N 0.806 120.879 120.300 -0.378 0.000 2.788 294 Y HA 0.742 5.292 4.550 -0.000 0.000 0.335 294 Y C -1.866 173.787 175.900 -0.413 0.000 1.287 294 Y CA -1.238 56.676 58.100 -0.311 0.000 1.068 294 Y CB 0.736 38.956 38.460 -0.399 0.000 1.340 294 Y HN 0.062 nan 8.280 nan 0.000 0.449 295 F N 0.857 120.929 119.950 0.203 0.000 2.579 295 F HA 0.641 5.168 4.527 -0.001 0.000 0.324 295 F C -0.269 175.638 175.800 0.178 0.000 1.058 295 F CA -0.766 57.341 58.000 0.179 0.000 0.944 295 F CB 2.173 41.227 39.000 0.090 0.000 1.245 295 F HN 0.595 nan 8.300 nan 0.000 0.477 296 E N 1.624 122.023 120.200 0.332 0.000 2.290 296 E HA 0.575 4.925 4.350 -0.000 0.000 0.274 296 E C -2.164 174.539 176.600 0.172 0.000 0.889 296 E CA -0.446 56.060 56.400 0.177 0.000 0.760 296 E CB 2.374 32.210 29.700 0.228 0.000 1.206 296 E HN 0.421 nan 8.360 nan 0.000 0.419 297 V N 2.529 122.526 119.914 0.139 0.000 2.638 297 V HA 0.886 5.006 4.120 -0.000 0.000 0.306 297 V C 0.220 176.450 176.094 0.226 0.000 1.052 297 V CA -0.124 62.286 62.300 0.183 0.000 0.885 297 V CB 1.706 33.648 31.823 0.199 0.000 0.999 297 V HN 0.786 nan 8.190 nan 0.000 0.424 298 G N 2.438 111.358 108.800 0.200 0.000 2.559 298 G HA2 0.885 4.845 3.960 -0.000 0.000 0.291 298 G HA3 0.885 4.845 3.960 -0.000 0.000 0.291 298 G C -1.587 173.414 174.900 0.169 0.000 1.424 298 G CA 0.015 45.236 45.100 0.202 0.000 0.786 298 G HN 1.254 nan 8.290 nan 0.000 0.485 299 A N -0.552 122.369 122.820 0.168 0.000 2.574 299 A HA 0.905 5.224 4.320 -0.000 0.000 0.297 299 A C -0.650 177.017 177.584 0.139 0.000 1.062 299 A CA -0.478 51.647 52.037 0.147 0.000 0.686 299 A CB 1.883 20.974 19.000 0.152 0.000 1.285 299 A HN 1.066 nan 8.150 nan 0.000 0.403 300 T N 1.194 115.788 114.554 0.068 0.000 2.861 300 T HA 0.565 4.915 4.350 -0.000 0.000 0.287 300 T C -1.597 173.016 174.700 -0.144 0.000 1.003 300 T CA -0.072 61.997 62.100 -0.052 0.000 0.977 300 T CB 0.974 69.699 68.868 -0.238 0.000 0.996 300 T HN 0.559 nan 8.240 nan 0.000 0.448 301 Y N 2.646 122.760 120.300 -0.311 0.000 2.341 301 Y HA 0.558 5.108 4.550 -0.000 0.000 0.338 301 Y C -1.601 174.001 175.900 -0.497 0.000 0.965 301 Y CA -1.214 56.686 58.100 -0.333 0.000 1.108 301 Y CB 0.904 39.178 38.460 -0.309 0.000 1.180 301 Y HN 0.627 nan 8.280 nan 0.000 0.458 302 Y N 7.041 126.876 120.300 -0.775 0.000 2.385 302 Y HA 0.244 4.794 4.550 -0.000 0.000 0.341 302 Y C 0.201 175.791 175.900 -0.516 0.000 0.965 302 Y CA -0.568 57.271 58.100 -0.434 0.000 1.180 302 Y CB 0.431 38.723 38.460 -0.279 0.000 1.139 302 Y HN 0.695 nan 8.280 nan 0.000 0.502 303 F N 1.313 121.334 119.950 0.119 0.000 2.146 303 F HA -0.143 4.384 4.527 0.000 0.000 0.298 303 F C 0.832 176.712 175.800 0.134 0.000 1.096 303 F CA 1.072 59.205 58.000 0.221 0.000 1.275 303 F CB -0.057 39.091 39.000 0.247 0.000 1.008 303 F HN 0.608 nan 8.300 nan 0.000 0.480 304 N N -1.463 117.414 118.700 0.293 0.000 3.441 304 N HA 0.051 4.791 4.740 -0.000 0.000 0.313 304 N C -0.199 175.395 175.510 0.141 0.000 1.526 304 N CA -0.528 52.625 53.050 0.172 0.000 0.871 304 N CB 0.195 38.782 38.487 0.166 0.000 1.779 304 N HN -0.037 nan 8.380 nan 0.000 0.529 305 K N -0.984 119.458 120.400 0.069 0.000 2.504 305 K HA 0.148 4.468 4.320 -0.000 0.000 0.195 305 K C -0.045 176.581 176.600 0.044 0.000 1.036 305 K CA 1.329 57.634 56.287 0.029 0.000 0.984 305 K CB -0.413 32.076 32.500 -0.017 0.000 0.788 305 K HN 0.467 nan 8.250 nan 0.000 0.488 306 N N -0.680 118.061 118.700 0.070 0.000 2.348 306 N HA 0.127 4.867 4.740 -0.000 0.000 0.183 306 N C -0.481 175.041 175.510 0.019 0.000 1.094 306 N CA -0.103 52.938 53.050 -0.015 0.000 0.885 306 N CB 0.493 38.981 38.487 0.002 0.000 1.065 306 N HN 0.048 nan 8.380 nan 0.000 0.472 307 M N 0.611 120.324 119.600 0.189 0.000 2.464 307 M HA 0.502 4.982 4.480 -0.000 0.000 0.308 307 M C -1.381 175.181 176.300 0.438 0.000 1.127 307 M CA -0.557 54.918 55.300 0.291 0.000 0.913 307 M CB 1.883 34.652 32.600 0.282 0.000 1.689 307 M HN 0.080 nan 8.290 nan 0.000 0.445 308 S N 1.238 117.187 115.700 0.416 0.000 2.611 308 S HA 0.963 5.433 4.470 -0.000 0.000 0.268 308 S C -1.189 173.590 174.600 0.298 0.000 1.156 308 S CA -0.373 58.026 58.200 0.332 0.000 0.817 308 S CB 1.553 64.759 63.200 0.010 0.000 1.122 308 S HN 0.934 nan 8.310 nan 0.000 0.466 309 T N -0.530 114.143 114.554 0.197 0.000 2.868 309 T HA 0.848 5.198 4.350 -0.000 0.000 0.306 309 T C -1.358 173.401 174.700 0.100 0.000 1.224 309 T CA -0.728 61.435 62.100 0.106 0.000 1.012 309 T CB 1.238 70.212 68.868 0.177 0.000 1.221 309 T HN 1.885 nan 8.240 nan 0.000 0.499 310 Y N -1.806 118.525 120.300 0.051 0.000 2.677 310 Y HA 0.766 5.316 4.550 -0.000 0.000 0.334 310 Y C -2.129 173.819 175.900 0.081 0.000 1.196 310 Y CA -1.661 56.461 58.100 0.036 0.000 1.059 310 Y CB 0.651 39.107 38.460 -0.006 0.000 1.315 310 Y HN 0.597 nan 8.280 nan 0.000 0.455 311 V N 1.850 121.971 119.914 0.344 0.000 2.638 311 V HA 0.489 4.609 4.120 -0.000 0.000 0.306 311 V C -1.457 174.843 176.094 0.343 0.000 1.052 311 V CA -0.521 61.951 62.300 0.287 0.000 0.885 311 V CB 1.679 33.605 31.823 0.171 0.000 0.999 311 V HN 0.807 nan 8.190 nan 0.000 0.424 312 D N 2.548 123.176 120.400 0.379 0.000 2.593 312 D HA 0.354 4.994 4.640 -0.000 0.000 0.251 312 D C -1.743 174.838 176.300 0.467 0.000 1.140 312 D CA -0.277 53.946 54.000 0.372 0.000 0.855 312 D CB 1.677 42.651 40.800 0.289 0.000 1.267 312 D HN 0.446 nan 8.370 nan 0.000 0.532 313 Y N 5.251 125.671 120.300 0.200 0.000 2.334 313 Y HA 0.419 4.968 4.550 -0.000 0.000 0.336 313 Y C -1.063 174.838 175.900 0.002 0.000 0.960 313 Y CA -1.355 56.811 58.100 0.111 0.000 1.164 313 Y CB 0.622 39.136 38.460 0.090 0.000 1.155 313 Y HN 0.253 nan 8.280 nan 0.000 0.478 314 I N 8.495 128.934 120.570 -0.218 0.000 2.312 314 I HA 0.249 4.419 4.170 -0.000 0.000 0.290 314 I C -0.141 175.602 176.117 -0.623 0.000 1.008 314 I CA -0.549 60.375 61.300 -0.627 0.000 1.226 314 I CB 1.098 38.407 38.000 -1.151 0.000 1.371 314 I HN 0.603 nan 8.210 nan 0.000 0.468 315 I N 6.154 126.425 120.570 -0.499 0.000 2.268 315 I HA 0.125 4.295 4.170 -0.000 0.000 0.290 315 I C 0.607 176.687 176.117 -0.061 0.000 1.125 315 I CA -0.407 60.703 61.300 -0.317 0.000 1.236 315 I CB -0.034 37.818 38.000 -0.246 0.000 1.469 315 I HN 0.454 nan 8.210 nan 0.000 0.512 316 N N 4.621 123.260 118.700 -0.102 0.000 2.447 316 N HA -0.023 4.717 4.740 -0.000 0.000 0.263 316 N C 0.742 176.297 175.510 0.074 0.000 1.226 316 N CA 0.436 53.476 53.050 -0.018 0.000 0.906 316 N CB 0.945 39.414 38.487 -0.029 0.000 1.060 316 N HN 0.410 nan 8.380 nan 0.000 0.468 317 Q N 2.487 122.354 119.800 0.111 0.000 2.319 317 Q HA 0.205 4.545 4.340 -0.000 0.000 0.202 317 Q C 0.129 176.182 176.000 0.087 0.000 0.896 317 Q CA -0.165 55.714 55.803 0.127 0.000 0.942 317 Q CB 0.577 29.416 28.738 0.169 0.000 1.083 317 Q HN 0.582 nan 8.270 nan 0.000 0.510 318 I N 3.502 124.116 120.570 0.074 0.000 2.648 318 I HA -0.062 4.107 4.170 -0.000 0.000 0.284 318 I C 0.773 176.930 176.117 0.068 0.000 1.153 318 I CA 0.264 61.604 61.300 0.067 0.000 1.426 318 I CB 0.247 38.290 38.000 0.071 0.000 1.381 318 I HN 0.169 nan 8.210 nan 0.000 0.571 319 D N 3.876 124.315 120.400 0.065 0.000 2.229 319 D HA 0.099 4.738 4.640 -0.000 0.000 0.249 319 D C 0.791 177.133 176.300 0.069 0.000 1.027 319 D CA -0.409 53.630 54.000 0.065 0.000 0.923 319 D CB 1.514 42.350 40.800 0.060 0.000 1.174 319 D HN 0.517 nan 8.370 nan 0.000 0.443 320 S N 1.299 117.040 115.700 0.068 0.000 2.462 320 S HA -0.202 4.267 4.470 -0.000 0.000 0.243 320 S C 0.593 175.249 174.600 0.094 0.000 1.003 320 S CA 0.848 59.094 58.200 0.077 0.000 0.970 320 S CB -0.187 63.053 63.200 0.067 0.000 0.762 320 S HN 0.515 nan 8.310 nan 0.000 0.510 321 D N 1.567 122.018 120.400 0.085 0.000 2.342 321 D HA 0.126 4.766 4.640 -0.000 0.000 0.221 321 D C 0.072 176.442 176.300 0.118 0.000 1.101 321 D CA -0.119 53.936 54.000 0.091 0.000 0.837 321 D CB -0.509 40.327 40.800 0.059 0.000 0.938 321 D HN 0.376 nan 8.370 nan 0.000 0.508 322 N N 2.259 121.031 118.700 0.120 0.000 2.386 322 N HA -0.113 4.627 4.740 -0.000 0.000 0.273 322 N C 1.191 176.808 175.510 0.178 0.000 1.331 322 N CA 0.124 53.240 53.050 0.111 0.000 0.891 322 N CB 0.711 39.243 38.487 0.075 0.000 1.139 322 N HN -0.147 nan 8.380 nan 0.000 0.487 323 K N 3.872 124.374 120.400 0.170 0.000 2.173 323 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 323 K C 1.564 178.331 176.600 0.278 0.000 1.046 323 K CA 1.118 57.555 56.287 0.249 0.000 0.929 323 K CB -0.093 32.495 32.500 0.146 0.000 0.720 323 K HN 0.624 nan 8.250 nan 0.000 0.453 324 L N -0.859 120.400 121.223 0.059 0.000 2.341 324 L HA 0.024 4.364 4.340 -0.000 0.000 0.214 324 L C 1.268 177.878 176.870 -0.434 0.000 1.115 324 L CA 0.746 55.515 54.840 -0.118 0.000 0.820 324 L CB -0.166 41.845 42.059 -0.080 0.000 0.944 324 L HN 0.444 nan 8.230 nan 0.000 0.452 325 G N -0.195 108.399 108.800 -0.343 0.000 2.148 325 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.203 325 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.203 325 G C 0.198 174.981 174.900 -0.195 0.000 0.993 325 G CA -0.131 44.689 45.100 -0.467 0.000 0.661 325 G HN 0.034 nan 8.290 nan 0.000 0.518 326 V N 1.394 121.246 119.914 -0.104 0.000 2.617 326 V HA 0.433 4.553 4.120 -0.000 0.000 0.304 326 V C 1.744 177.835 176.094 -0.006 0.000 1.040 326 V CA 0.589 62.862 62.300 -0.045 0.000 1.149 326 V CB 0.781 32.601 31.823 -0.005 0.000 0.914 326 V HN 0.866 nan 8.190 nan 0.000 0.487 327 G N 3.513 112.312 108.800 -0.001 0.000 2.484 327 G HA2 0.271 4.231 3.960 -0.000 0.000 0.235 327 G HA3 0.271 4.231 3.960 -0.000 0.000 0.235 327 G C 0.875 175.808 174.900 0.055 0.000 1.282 327 G CA 0.237 45.352 45.100 0.025 0.000 0.857 327 G HN 1.061 nan 8.290 nan 0.000 0.571 328 S N 0.034 115.769 115.700 0.059 0.000 2.540 328 S HA 0.145 4.615 4.470 -0.000 0.000 0.222 328 S C 0.237 174.874 174.600 0.062 0.000 1.008 328 S CA -0.330 57.909 58.200 0.064 0.000 0.939 328 S CB 0.400 63.639 63.200 0.064 0.000 0.865 328 S HN 0.477 nan 8.310 nan 0.000 0.499 329 D N 2.858 123.296 120.400 0.064 0.000 2.344 329 D HA 0.372 5.012 4.640 -0.000 0.000 0.244 329 D C -0.461 175.877 176.300 0.062 0.000 1.134 329 D CA -0.012 54.028 54.000 0.067 0.000 0.930 329 D CB 0.559 41.402 40.800 0.072 0.000 1.175 329 D HN 0.173 nan 8.370 nan 0.000 0.437 330 D N -0.329 120.115 120.400 0.074 0.000 2.358 330 D HA 0.395 5.035 4.640 -0.000 0.000 0.244 330 D C -0.213 176.144 176.300 0.096 0.000 1.163 330 D CA 0.219 54.260 54.000 0.068 0.000 0.945 330 D CB 0.757 41.666 40.800 0.182 0.000 1.152 330 D HN 0.051 nan 8.370 nan 0.000 0.451 331 T N -0.160 114.433 114.554 0.066 0.000 2.952 331 T HA 0.479 4.829 4.350 -0.000 0.000 0.305 331 T C -0.920 173.897 174.700 0.194 0.000 1.064 331 T CA -0.640 61.507 62.100 0.079 0.000 1.008 331 T CB 1.491 70.308 68.868 -0.085 0.000 1.078 331 T HN 0.020 nan 8.240 nan 0.000 0.459 332 V N 2.236 122.336 119.914 0.309 0.000 2.443 332 V HA 0.772 4.891 4.120 -0.000 0.000 0.293 332 V C -0.019 176.368 176.094 0.488 0.000 1.021 332 V CA -0.920 61.611 62.300 0.386 0.000 0.848 332 V CB 1.357 33.309 31.823 0.216 0.000 0.998 332 V HN 1.109 nan 8.190 nan 0.000 0.424 333 A N 4.985 128.087 122.820 0.471 0.000 2.292 333 A HA 0.865 5.185 4.320 -0.000 0.000 0.319 333 A C -0.605 177.217 177.584 0.397 0.000 1.206 333 A CA -0.467 51.836 52.037 0.443 0.000 0.835 333 A CB 1.220 20.360 19.000 0.233 0.000 1.164 333 A HN 0.676 nan 8.150 nan 0.000 0.505 334 V N 1.699 121.839 119.914 0.377 0.000 2.604 334 V HA 0.856 4.976 4.120 -0.000 0.000 0.305 334 V C 0.571 176.646 176.094 -0.033 0.000 1.043 334 V CA 0.155 62.561 62.300 0.176 0.000 0.888 334 V CB 1.874 33.874 31.823 0.295 0.000 0.995 334 V HN 1.327 nan 8.190 nan 0.000 0.429 335 G N 2.898 111.444 108.800 -0.424 0.000 2.704 335 G HA2 0.727 4.687 3.960 -0.000 0.000 0.293 335 G HA3 0.727 4.687 3.960 -0.000 0.000 0.293 335 G C -1.954 172.685 174.900 -0.435 0.000 1.421 335 G CA -0.566 44.249 45.100 -0.475 0.000 0.870 335 G HN 0.816 nan 8.290 nan 0.000 0.492 336 I N 1.131 121.587 120.570 -0.189 0.000 2.468 336 I HA 0.618 4.787 4.170 -0.000 0.000 0.284 336 I C -1.211 174.912 176.117 0.010 0.000 1.038 336 I CA -0.796 60.474 61.300 -0.050 0.000 1.083 336 I CB 1.682 39.683 38.000 0.000 0.000 1.223 336 I HN 0.266 nan 8.210 nan 0.000 0.443 337 V N 8.000 127.963 119.914 0.081 0.000 2.398 337 V HA 0.349 4.469 4.120 -0.000 0.000 0.286 337 V C -0.828 175.366 176.094 0.167 0.000 1.026 337 V CA -0.555 61.814 62.300 0.115 0.000 0.868 337 V CB 1.310 33.227 31.823 0.156 0.000 0.982 337 V HN 0.636 nan 8.190 nan 0.000 0.443 338 Y N 5.331 125.675 120.300 0.073 0.000 2.377 338 Y HA 0.708 5.258 4.550 -0.000 0.000 0.339 338 Y C -0.143 175.847 175.900 0.151 0.000 1.011 338 Y CA -0.561 57.602 58.100 0.106 0.000 1.093 338 Y CB 1.643 40.152 38.460 0.082 0.000 1.201 338 Y HN 0.766 nan 8.280 nan 0.000 0.455 339 Q N 5.659 124.968 119.800 -0.817 0.000 2.435 339 Q HA 0.610 4.950 4.340 -0.000 0.000 0.282 339 Q C -1.964 173.799 176.000 -0.394 0.000 1.020 339 Q CA -0.924 54.622 55.803 -0.429 0.000 0.820 339 Q CB 2.644 31.282 28.738 -0.166 0.000 1.436 339 Q HN 0.633 nan 8.270 nan 0.000 0.395 340 F N 0.000 119.815 119.950 -0.226 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.958 58.000 -0.070 0.000 1.383 340 F CB 0.000 39.027 39.000 0.045 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574