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 2c3d_1_B DATA FIRST_RESID 2 DATA SEQUENCE KVWNARNDHL TINQWATRID EILEAPDGGE VIYNVDENDP REYDAIFIGG DATA SEQUENCE GAAGRFGSAY LRAMGGRQLI VDRWPFLGGS cPHNAcVPHH LFSDCAAELM DATA SEQUENCE LARTFSGQYW FPDMTEKVVG IKEVVDLFRA GRNGPHGIMN FQSKEQLNLE DATA SEQUENCE YILNCPAKVI DNHTVEAAGK VFKAKNLILA VGAGPGTLDV PGVNAKGVFD DATA SEQUENCE HATLVEELDY EPGSTVVVVG GSKTAVEYGC FFNATGRRTV MLVRTEPLKL DATA SEQUENCE IKDNETRAYV LDRMKEQGME IISGSNVTRI EEDANGRVQA VVAMTPNGEM DATA SEQUENCE RIETDFVFLG LGEQPRSAEL AKILGLDLGP KGEVLVNEYL QTSVPNVYAV DATA SEQUENCE GDLIGGPMEM FKARKSGCYA ARNVMGEKIS YTPKNYPDFL HTHYEVSFLG DATA SEQUENCE MGEEEARAAG HEIVTIKMPP DTENGLNVAL PASDRTMLYA FGKGTAHMSG DATA SEQUENCE FQKIVIDAKT RKVLGAHHVG YGAKDAFQYL NVLIKQGLTV DELGDMDELF DATA SEQUENCE LNPTHFIQLS RLRAGSKNLV SL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.665 176.600 0.109 0.000 0.988 2 K CA 0.000 56.333 56.287 0.076 0.000 0.838 2 K CB 0.000 32.534 32.500 0.057 0.000 1.064 3 V N 2.570 122.548 119.914 0.107 0.000 2.376 3 V HA 0.430 4.552 4.120 0.003 0.000 0.287 3 V C -1.547 174.673 176.094 0.210 0.000 1.015 3 V CA -0.475 61.900 62.300 0.125 0.000 0.834 3 V CB 0.952 32.781 31.823 0.011 0.000 1.001 3 V HN 0.354 nan 8.190 nan 0.000 0.428 4 W N 6.467 127.813 121.300 0.078 0.000 2.308 4 W HA 0.411 5.073 4.660 0.003 0.000 0.311 4 W C 0.200 176.803 176.519 0.140 0.000 1.088 4 W CA -1.212 56.185 57.345 0.086 0.000 1.309 4 W CB 0.698 30.211 29.460 0.089 0.000 1.229 4 W HN 0.560 nan 8.180 nan 0.000 0.427 5 N N 4.867 123.614 118.700 0.079 0.000 2.508 5 N HA 0.144 4.886 4.740 0.003 0.000 0.253 5 N C 0.501 175.799 175.510 -0.354 0.000 1.145 5 N CA 0.488 53.513 53.050 -0.041 0.000 0.973 5 N CB 1.089 39.624 38.487 0.080 0.000 1.305 5 N HN 0.611 nan 8.380 nan 0.000 0.506 6 A N 3.573 125.923 122.820 -0.783 0.000 2.251 6 A HA 0.008 4.329 4.320 0.003 0.000 0.209 6 A C 2.056 179.407 177.584 -0.389 0.000 1.187 6 A CA 0.007 51.532 52.037 -0.853 0.000 0.823 6 A CB -0.040 18.077 19.000 -1.472 0.000 0.846 6 A HN 0.591 nan 8.150 nan 0.000 0.486 7 R N 1.562 121.890 120.500 -0.286 0.000 2.133 7 R HA -0.197 4.144 4.340 0.003 0.000 0.245 7 R C 1.095 177.255 176.300 -0.233 0.000 1.137 7 R CA 2.589 58.550 56.100 -0.231 0.000 0.947 7 R CB -0.962 29.253 30.300 -0.141 0.000 0.865 7 R HN 0.690 nan 8.270 nan 0.000 0.437 8 N N 0.072 118.668 118.700 -0.173 0.000 2.398 8 N HA 0.002 4.744 4.740 0.003 0.000 0.188 8 N C -0.766 174.574 175.510 -0.283 0.000 1.122 8 N CA -0.198 52.752 53.050 -0.168 0.000 0.866 8 N CB 0.278 38.747 38.487 -0.031 0.000 0.970 8 N HN 0.255 nan 8.380 nan 0.000 0.462 9 D N 0.365 120.584 120.400 -0.302 0.000 2.225 9 D HA 0.154 4.795 4.640 0.003 0.000 0.249 9 D C -0.212 175.821 176.300 -0.444 0.000 1.052 9 D CA 0.304 54.181 54.000 -0.204 0.000 0.909 9 D CB 0.977 41.803 40.800 0.043 0.000 1.186 9 D HN 0.187 nan 8.370 nan 0.000 0.431 10 H N 1.854 120.958 119.070 0.057 0.000 2.716 10 H HA 0.270 4.828 4.556 0.003 0.000 0.260 10 H C -0.138 175.235 175.328 0.074 0.000 1.280 10 H CA -0.294 55.803 56.048 0.082 0.000 1.506 10 H CB 0.691 30.498 29.762 0.075 0.000 1.514 10 H HN 0.142 nan 8.280 nan 0.000 0.502 11 L N 2.127 123.389 121.223 0.064 0.000 2.399 11 L HA 0.243 4.585 4.340 0.003 0.000 0.266 11 L C 1.395 178.423 176.870 0.264 0.000 1.114 11 L CA -0.598 54.198 54.840 -0.074 0.000 0.804 11 L CB 1.102 42.726 42.059 -0.725 0.000 1.146 11 L HN 0.478 nan 8.230 nan 0.000 0.451 12 T N -2.059 112.610 114.554 0.192 0.000 2.770 12 T HA 0.301 4.652 4.350 0.003 0.000 0.281 12 T C 1.336 176.181 174.700 0.242 0.000 0.981 12 T CA -0.585 61.638 62.100 0.205 0.000 0.955 12 T CB 1.004 69.903 68.868 0.052 0.000 1.060 12 T HN 0.433 nan 8.240 nan 0.000 0.531 13 I N 0.973 121.505 120.570 -0.065 0.000 2.226 13 I HA -0.188 3.984 4.170 0.003 0.000 0.245 13 I C 2.631 178.820 176.117 0.120 0.000 1.100 13 I CA 1.621 62.922 61.300 0.001 0.000 1.374 13 I CB -0.551 37.302 38.000 -0.246 0.000 1.057 13 I HN 0.718 nan 8.210 nan 0.000 0.413 14 N N -0.033 118.692 118.700 0.041 0.000 2.331 14 N HA -0.162 4.580 4.740 0.003 0.000 0.180 14 N C 1.786 177.342 175.510 0.077 0.000 1.019 14 N CA 0.630 53.708 53.050 0.046 0.000 0.881 14 N CB 0.030 38.518 38.487 0.002 0.000 0.972 14 N HN 0.465 nan 8.380 nan 0.000 0.435 15 Q N -0.354 119.493 119.800 0.077 0.000 2.123 15 Q HA -0.098 4.244 4.340 0.003 0.000 0.199 15 Q C 1.420 177.468 176.000 0.081 0.000 0.966 15 Q CA 0.971 56.791 55.803 0.029 0.000 0.845 15 Q CB -0.054 28.662 28.738 -0.037 0.000 0.907 15 Q HN 0.497 nan 8.270 nan 0.000 0.439 16 W N 0.787 122.169 121.300 0.136 0.000 2.381 16 W HA -0.168 4.494 4.660 0.003 0.000 0.301 16 W C 2.528 179.126 176.519 0.132 0.000 1.205 16 W CA 0.963 58.414 57.345 0.177 0.000 1.285 16 W CB -0.086 29.505 29.460 0.217 0.000 1.133 16 W HN 0.163 nan 8.180 nan 0.000 0.521 17 A N -0.174 122.854 122.820 0.346 0.000 1.892 17 A HA -0.253 4.069 4.320 0.003 0.000 0.218 17 A C 1.808 179.489 177.584 0.162 0.000 1.188 17 A CA 2.643 54.803 52.037 0.204 0.000 0.631 17 A CB -1.373 17.688 19.000 0.102 0.000 0.822 17 A HN 0.252 nan 8.150 nan 0.000 0.447 18 T N -0.794 113.832 114.554 0.120 0.000 2.708 18 T HA -0.145 4.207 4.350 0.003 0.000 0.266 18 T C 2.114 176.865 174.700 0.084 0.000 1.037 18 T CA 1.736 63.880 62.100 0.072 0.000 1.146 18 T CB -0.243 68.643 68.868 0.030 0.000 0.865 18 T HN 0.504 nan 8.240 nan 0.000 0.435 19 R N 1.233 121.795 120.500 0.103 0.000 2.081 19 R HA 0.062 4.404 4.340 0.003 0.000 0.235 19 R C 2.175 178.589 176.300 0.190 0.000 1.131 19 R CA 1.371 57.524 56.100 0.089 0.000 0.960 19 R CB -0.945 29.382 30.300 0.046 0.000 0.856 19 R HN 0.460 nan 8.270 nan 0.000 0.436 20 I N 0.269 121.015 120.570 0.294 0.000 2.226 20 I HA -0.233 3.939 4.170 0.003 0.000 0.245 20 I C 1.929 178.171 176.117 0.208 0.000 1.100 20 I CA 1.783 63.259 61.300 0.293 0.000 1.374 20 I CB -0.473 37.719 38.000 0.320 0.000 1.057 20 I HN 0.274 nan 8.210 nan 0.000 0.413 21 D N 1.035 121.534 120.400 0.164 0.000 2.123 21 D HA -0.218 4.424 4.640 0.003 0.000 0.196 21 D C 2.054 178.417 176.300 0.105 0.000 0.992 21 D CA 1.526 55.599 54.000 0.121 0.000 0.833 21 D CB 0.054 40.900 40.800 0.077 0.000 0.954 21 D HN 0.336 nan 8.370 nan 0.000 0.455 22 E N -0.218 120.034 120.200 0.087 0.000 2.077 22 E HA -0.146 4.205 4.350 0.003 0.000 0.193 22 E C 2.403 179.050 176.600 0.078 0.000 0.989 22 E CA 0.770 57.207 56.400 0.061 0.000 0.800 22 E CB -0.083 29.632 29.700 0.024 0.000 0.746 22 E HN 0.448 nan 8.360 nan 0.000 0.452 23 I N 0.973 121.608 120.570 0.108 0.000 2.315 23 I HA -0.247 3.925 4.170 0.003 0.000 0.248 23 I C 2.311 178.509 176.117 0.136 0.000 1.117 23 I CA 0.873 62.248 61.300 0.125 0.000 1.404 23 I CB -0.144 37.959 38.000 0.172 0.000 1.071 23 I HN 0.117 nan 8.210 nan 0.000 0.419 24 L N 0.191 121.506 121.223 0.154 0.000 2.141 24 L HA -0.152 4.190 4.340 0.003 0.000 0.209 24 L C 2.301 179.259 176.870 0.148 0.000 1.094 24 L CA 1.069 56.013 54.840 0.173 0.000 0.763 24 L CB -0.355 41.825 42.059 0.202 0.000 0.908 24 L HN 0.240 nan 8.230 nan 0.000 0.437 25 E N 0.312 120.582 120.200 0.117 0.000 2.442 25 E HA 0.117 4.469 4.350 0.003 0.000 0.195 25 E C 0.854 177.503 176.600 0.082 0.000 1.030 25 E CA 0.198 56.656 56.400 0.096 0.000 0.869 25 E CB 0.089 29.835 29.700 0.077 0.000 0.857 25 E HN 0.280 nan 8.360 nan 0.000 0.505 26 A N 4.109 126.978 122.820 0.082 0.000 2.537 26 A HA 0.050 4.372 4.320 0.003 0.000 0.260 26 A C -0.976 176.649 177.584 0.069 0.000 1.082 26 A CA -0.739 51.339 52.037 0.067 0.000 0.765 26 A CB 0.085 19.126 19.000 0.068 0.000 1.019 26 A HN -0.041 nan 8.150 nan 0.000 0.507 27 P HA -0.196 nan 4.420 nan 0.000 0.216 27 P C 0.700 178.032 177.300 0.054 0.000 1.150 27 P CA 1.560 64.694 63.100 0.056 0.000 0.837 27 P CB 0.028 31.755 31.700 0.046 0.000 0.786 28 D N -1.223 119.206 120.400 0.049 0.000 2.363 28 D HA -0.009 4.633 4.640 0.003 0.000 0.220 28 D C 1.500 177.833 176.300 0.055 0.000 0.994 28 D CA 1.141 55.169 54.000 0.047 0.000 0.890 28 D CB -0.440 40.384 40.800 0.040 0.000 0.906 28 D HN 0.326 nan 8.370 nan 0.000 0.530 29 G N -0.295 108.545 108.800 0.066 0.000 2.284 29 G HA2 -0.008 3.954 3.960 0.003 0.000 0.216 29 G HA3 -0.008 3.954 3.960 0.003 0.000 0.216 29 G C 0.784 175.737 174.900 0.087 0.000 1.009 29 G CA 0.273 45.418 45.100 0.076 0.000 0.625 29 G HN 1.336 nan 8.290 nan 0.000 0.501 30 G N -0.064 108.785 108.800 0.081 0.000 2.699 30 G HA2 0.409 4.370 3.960 0.003 0.000 0.686 30 G HA3 0.409 4.370 3.960 0.003 0.000 0.686 30 G C -0.201 174.764 174.900 0.107 0.000 1.301 30 G CA 0.657 45.812 45.100 0.093 0.000 0.816 30 G HN 1.688 nan 8.290 nan 0.000 0.595 31 E N -0.319 119.959 120.200 0.130 0.000 2.345 31 E HA 0.520 4.871 4.350 0.003 0.000 0.259 31 E C 0.203 176.939 176.600 0.226 0.000 1.117 31 E CA -0.657 55.846 56.400 0.171 0.000 0.913 31 E CB 1.462 31.279 29.700 0.195 0.000 1.057 31 E HN 0.716 nan 8.360 nan 0.000 0.432 32 V N 2.273 122.321 119.914 0.223 0.000 2.530 32 V HA 0.133 4.255 4.120 0.003 0.000 0.282 32 V C 0.541 176.818 176.094 0.305 0.000 1.048 32 V CA -0.373 62.061 62.300 0.223 0.000 0.997 32 V CB 0.538 32.468 31.823 0.178 0.000 0.987 32 V HN 0.519 nan 8.190 nan 0.000 0.477 33 I N 5.607 126.346 120.570 0.281 0.000 2.281 33 I HA 0.216 4.388 4.170 0.003 0.000 0.293 33 I C -0.725 175.483 176.117 0.151 0.000 1.085 33 I CA -0.266 61.175 61.300 0.236 0.000 1.257 33 I CB 0.111 38.292 38.000 0.302 0.000 1.430 33 I HN 0.578 nan 8.210 nan 0.000 0.489 34 Y N 6.934 127.182 120.300 -0.086 0.000 2.454 34 Y HA 0.298 4.850 4.550 0.003 0.000 0.345 34 Y C 0.071 175.845 175.900 -0.210 0.000 0.970 34 Y CA -0.572 57.474 58.100 -0.091 0.000 1.204 34 Y CB 0.677 39.116 38.460 -0.035 0.000 1.122 34 Y HN 0.535 nan 8.280 nan 0.000 0.514 35 N N 5.328 123.731 118.700 -0.494 0.000 2.904 35 N HA 0.341 5.083 4.740 0.003 0.000 0.257 35 N C -2.253 172.889 175.510 -0.613 0.000 1.363 35 N CA -0.217 52.486 53.050 -0.578 0.000 0.856 35 N CB 0.458 38.432 38.487 -0.855 0.000 1.166 35 N HN 0.272 nan 8.380 nan 0.000 0.499 36 V N 0.968 120.515 119.914 -0.611 0.000 2.680 36 V HA 0.345 4.467 4.120 0.003 0.000 0.309 36 V C -0.420 175.577 176.094 -0.162 0.000 1.052 36 V CA -0.960 61.097 62.300 -0.406 0.000 0.908 36 V CB 1.847 33.365 31.823 -0.509 0.000 1.001 36 V HN 0.385 nan 8.190 nan 0.000 0.431 37 D N 2.733 123.086 120.400 -0.078 0.000 2.441 37 D HA 0.184 4.826 4.640 0.003 0.000 0.221 37 D C 0.991 177.299 176.300 0.014 0.000 1.156 37 D CA -0.092 53.886 54.000 -0.037 0.000 0.896 37 D CB 0.898 41.668 40.800 -0.049 0.000 1.028 37 D HN 0.632 nan 8.370 nan 0.000 0.509 38 E N 2.170 122.398 120.200 0.047 0.000 2.511 38 E HA -0.041 4.311 4.350 0.003 0.000 0.196 38 E C 0.660 177.279 176.600 0.031 0.000 1.066 38 E CA 0.109 56.552 56.400 0.071 0.000 0.871 38 E CB 0.305 30.070 29.700 0.109 0.000 0.863 38 E HN 0.416 nan 8.360 nan 0.000 0.520 39 N N 1.012 119.719 118.700 0.010 0.000 2.392 39 N HA -0.061 4.681 4.740 0.003 0.000 0.177 39 N C 0.266 175.765 175.510 -0.018 0.000 1.066 39 N CA 0.329 53.378 53.050 -0.002 0.000 0.895 39 N CB 0.234 38.720 38.487 -0.003 0.000 0.988 39 N HN 0.093 nan 8.380 nan 0.000 0.457 40 D N 2.456 122.837 120.400 -0.032 0.000 2.358 40 D HA 0.058 4.700 4.640 0.003 0.000 0.258 40 D C -1.291 174.966 176.300 -0.071 0.000 1.223 40 D CA -1.476 52.490 54.000 -0.057 0.000 0.886 40 D CB 1.537 42.288 40.800 -0.082 0.000 1.120 40 D HN 0.127 nan 8.370 nan 0.000 0.482 41 P HA 0.010 nan 4.420 nan 0.000 0.235 41 P C 0.161 177.412 177.300 -0.082 0.000 1.177 41 P CA 0.053 63.118 63.100 -0.059 0.000 0.785 41 P CB 0.554 32.230 31.700 -0.038 0.000 0.885 42 R N 1.311 121.748 120.500 -0.105 0.000 2.679 42 R HA 0.136 4.478 4.340 0.003 0.000 0.268 42 R C 0.776 176.966 176.300 -0.185 0.000 1.044 42 R CA 0.008 56.038 56.100 -0.117 0.000 1.105 42 R CB 0.367 30.601 30.300 -0.110 0.000 0.989 42 R HN 0.234 nan 8.270 nan 0.000 0.447 43 E N 1.687 121.816 120.200 -0.119 0.000 2.349 43 E HA 0.030 4.382 4.350 0.003 0.000 0.265 43 E C -1.005 175.530 176.600 -0.109 0.000 1.064 43 E CA -0.562 55.778 56.400 -0.099 0.000 0.886 43 E CB 0.582 30.284 29.700 0.004 0.000 1.036 43 E HN 0.322 nan 8.360 nan 0.000 0.413 44 Y N 2.903 123.246 120.300 0.072 0.000 2.465 44 Y HA -0.020 4.532 4.550 0.003 0.000 0.331 44 Y C 1.090 177.021 175.900 0.053 0.000 1.102 44 Y CA 0.139 58.277 58.100 0.063 0.000 1.358 44 Y CB 0.788 39.293 38.460 0.075 0.000 1.213 44 Y HN 0.627 nan 8.280 nan 0.000 0.525 45 D N 2.314 122.830 120.400 0.193 0.000 2.183 45 D HA 0.060 4.702 4.640 0.003 0.000 0.203 45 D C 0.237 176.585 176.300 0.080 0.000 0.969 45 D CA 1.104 55.172 54.000 0.114 0.000 0.842 45 D CB 0.404 41.253 40.800 0.082 0.000 0.957 45 D HN 0.520 nan 8.370 nan 0.000 0.484 46 A N 0.180 123.055 122.820 0.093 0.000 2.589 46 A HA 0.578 4.900 4.320 0.003 0.000 0.296 46 A C -1.308 176.243 177.584 -0.055 0.000 1.062 46 A CA -0.581 51.417 52.037 -0.065 0.000 0.686 46 A CB 1.372 20.202 19.000 -0.283 0.000 1.282 46 A HN 0.007 nan 8.150 nan 0.000 0.404 47 I N 1.692 122.168 120.570 -0.156 0.000 2.362 47 I HA 0.395 4.567 4.170 0.003 0.000 0.289 47 I C -1.238 174.789 176.117 -0.149 0.000 0.994 47 I CA -0.358 60.861 61.300 -0.135 0.000 1.158 47 I CB 1.400 39.303 38.000 -0.161 0.000 1.315 47 I HN 0.555 nan 8.210 nan 0.000 0.451 48 F N 6.343 126.228 119.950 -0.108 0.000 2.411 48 F HA 0.353 4.881 4.527 0.003 0.000 0.355 48 F C 0.407 176.163 175.800 -0.074 0.000 1.117 48 F CA -0.611 57.350 58.000 -0.066 0.000 1.139 48 F CB 0.869 39.840 39.000 -0.049 0.000 1.120 48 F HN 0.175 nan 8.300 nan 0.000 0.493 49 I N 3.961 124.581 120.570 0.083 0.000 2.269 49 I HA 0.446 4.618 4.170 0.003 0.000 0.293 49 I C 0.517 176.665 176.117 0.052 0.000 1.106 49 I CA -0.247 61.072 61.300 0.032 0.000 1.248 49 I CB -0.283 37.716 38.000 -0.001 0.000 1.444 49 I HN 0.692 nan 8.210 nan 0.000 0.497 50 G N 3.989 112.810 108.800 0.036 0.000 3.055 50 G HA2 0.072 4.033 3.960 0.003 0.000 0.685 50 G HA3 0.072 4.033 3.960 0.003 0.000 0.685 50 G C -0.018 174.908 174.900 0.042 0.000 1.212 50 G CA -0.524 44.592 45.100 0.026 0.000 0.822 50 G HN 0.896 nan 8.290 nan 0.000 0.610 51 G N 0.551 109.352 108.800 0.001 0.000 4.222 51 G HA2 0.688 4.650 3.960 0.003 0.000 0.301 51 G HA3 0.688 4.650 3.960 0.003 0.000 0.301 51 G C 0.869 175.779 174.900 0.016 0.000 1.171 51 G CA 0.956 46.036 45.100 -0.034 0.000 0.937 51 G HN 1.307 nan 8.290 nan 0.000 0.557 52 G N 0.059 108.908 108.800 0.081 0.000 2.546 52 G HA2 0.444 4.406 3.960 0.003 0.000 0.239 52 G HA3 0.444 4.406 3.960 0.003 0.000 0.239 52 G C 1.551 176.529 174.900 0.130 0.000 1.476 52 G CA 0.456 45.638 45.100 0.135 0.000 1.064 52 G HN 0.424 nan 8.290 nan 0.000 0.561 53 A N -0.529 122.373 122.820 0.136 0.000 1.873 53 A HA 0.047 4.368 4.320 0.003 0.000 0.218 53 A C 2.768 180.433 177.584 0.134 0.000 1.193 53 A CA 3.192 55.306 52.037 0.128 0.000 0.629 53 A CB -1.152 17.864 19.000 0.026 0.000 0.826 53 A HN 1.283 nan 8.150 nan 0.000 0.447 54 A N -0.872 122.002 122.820 0.091 0.000 1.873 54 A HA 0.163 4.485 4.320 0.003 0.000 0.215 54 A C 2.460 180.134 177.584 0.150 0.000 1.186 54 A CA 1.973 54.076 52.037 0.110 0.000 0.616 54 A CB -1.421 17.637 19.000 0.097 0.000 0.823 54 A HN 0.791 nan 8.150 nan 0.000 0.442 55 G N -0.956 107.917 108.800 0.122 0.000 2.402 55 G HA2 -0.209 3.753 3.960 0.003 0.000 0.216 55 G HA3 -0.209 3.753 3.960 0.003 0.000 0.216 55 G C 1.769 176.512 174.900 -0.261 0.000 1.162 55 G CA 0.968 46.084 45.100 0.027 0.000 0.777 55 G HN 0.522 nan 8.290 nan 0.000 0.539 56 R N -0.886 119.562 120.500 -0.087 0.000 2.075 56 R HA 0.063 4.405 4.340 0.003 0.000 0.232 56 R C 2.266 178.484 176.300 -0.136 0.000 1.126 56 R CA 0.963 56.983 56.100 -0.133 0.000 0.963 56 R CB -0.324 29.958 30.300 -0.029 0.000 0.858 56 R HN 0.391 nan 8.270 nan 0.000 0.435 57 F N -0.355 119.534 119.950 -0.102 0.000 2.163 57 F HA 0.003 4.532 4.527 0.003 0.000 0.297 57 F C 2.388 178.168 175.800 -0.033 0.000 1.094 57 F CA 1.391 59.368 58.000 -0.038 0.000 1.290 57 F CB -0.451 38.556 39.000 0.011 0.000 1.017 57 F HN 0.201 nan 8.300 nan 0.000 0.483 58 G N -1.109 107.750 108.800 0.097 0.000 2.418 58 G HA2 -0.240 3.721 3.960 0.003 0.000 0.217 58 G HA3 -0.240 3.721 3.960 0.003 0.000 0.217 58 G C 1.861 176.708 174.900 -0.088 0.000 1.158 58 G CA 1.131 46.306 45.100 0.124 0.000 0.771 58 G HN 0.313 nan 8.290 nan 0.000 0.545 59 S N 0.884 116.188 115.700 -0.660 0.000 2.368 59 S HA 0.013 4.485 4.470 0.003 0.000 0.225 59 S C 2.813 177.295 174.600 -0.197 0.000 1.030 59 S CA 1.174 59.028 58.200 -0.577 0.000 0.999 59 S CB -0.385 62.388 63.200 -0.712 0.000 0.844 59 S HN 0.592 nan 8.310 nan 0.000 0.459 60 A N 0.324 123.028 122.820 -0.193 0.000 1.883 60 A HA -0.163 4.159 4.320 0.003 0.000 0.217 60 A C 1.982 179.518 177.584 -0.079 0.000 1.186 60 A CA 1.695 53.634 52.037 -0.164 0.000 0.624 60 A CB -0.990 17.841 19.000 -0.281 0.000 0.822 60 A HN 0.568 nan 8.150 nan 0.000 0.444 61 Y N -0.346 119.903 120.300 -0.086 0.000 2.200 61 Y HA -0.079 4.472 4.550 0.003 0.000 0.290 61 Y C 2.141 178.031 175.900 -0.017 0.000 1.137 61 Y CA 1.625 59.704 58.100 -0.035 0.000 1.163 61 Y CB -0.183 38.280 38.460 0.005 0.000 0.988 61 Y HN 0.300 nan 8.280 nan 0.000 0.518 62 L N -0.306 121.042 121.223 0.208 0.000 2.046 62 L HA -0.216 4.126 4.340 0.003 0.000 0.208 62 L C 2.610 179.519 176.870 0.064 0.000 1.077 62 L CA 1.682 56.622 54.840 0.167 0.000 0.747 62 L CB -0.288 41.909 42.059 0.230 0.000 0.896 62 L HN 0.088 nan 8.230 nan 0.000 0.432 63 R N 0.337 120.848 120.500 0.017 0.000 2.081 63 R HA -0.122 4.220 4.340 0.003 0.000 0.235 63 R C 2.144 178.407 176.300 -0.062 0.000 1.131 63 R CA 1.710 57.797 56.100 -0.021 0.000 0.960 63 R CB -0.758 29.513 30.300 -0.048 0.000 0.856 63 R HN 0.486 nan 8.270 nan 0.000 0.436 64 A N 0.180 122.930 122.820 -0.116 0.000 1.978 64 A HA -0.149 4.173 4.320 0.003 0.000 0.220 64 A C 2.091 179.581 177.584 -0.156 0.000 1.170 64 A CA 1.765 53.696 52.037 -0.177 0.000 0.636 64 A CB -0.475 18.335 19.000 -0.315 0.000 0.810 64 A HN 0.428 nan 8.150 nan 0.000 0.448 65 M N -1.386 118.142 119.600 -0.119 0.000 2.659 65 M HA 0.132 4.614 4.480 0.003 0.000 0.243 65 M C 1.319 177.602 176.300 -0.028 0.000 1.111 65 M CA 0.855 56.119 55.300 -0.060 0.000 1.070 65 M CB 0.129 32.741 32.600 0.019 0.000 1.525 65 M HN 0.654 nan 8.290 nan 0.000 0.517 66 G N 0.164 108.945 108.800 -0.031 0.000 2.144 66 G HA2 -0.158 3.804 3.960 0.003 0.000 0.218 66 G HA3 -0.158 3.804 3.960 0.003 0.000 0.218 66 G C 0.186 175.084 174.900 -0.003 0.000 0.988 66 G CA -0.279 44.808 45.100 -0.020 0.000 0.659 66 G HN 0.617 nan 8.290 nan 0.000 0.522 67 G N -0.930 107.879 108.800 0.016 0.000 2.511 67 G HA2 0.651 4.612 3.960 0.003 0.000 0.316 67 G HA3 0.651 4.612 3.960 0.003 0.000 0.316 67 G C -0.204 174.724 174.900 0.047 0.000 1.210 67 G CA -0.494 44.627 45.100 0.035 0.000 0.969 67 G HN 0.455 nan 8.290 nan 0.000 0.492 68 R N -0.070 120.470 120.500 0.067 0.000 2.393 68 R HA 0.487 4.828 4.340 0.003 0.000 0.310 68 R C -0.665 175.788 176.300 0.255 0.000 0.968 68 R CA -0.529 55.632 56.100 0.101 0.000 0.867 68 R CB 1.277 31.571 30.300 -0.010 0.000 1.124 68 R HN 0.678 nan 8.270 nan 0.000 0.450 69 Q N 3.110 123.085 119.800 0.293 0.000 2.528 69 Q HA 0.616 4.958 4.340 0.003 0.000 0.289 69 Q C -1.840 174.272 176.000 0.187 0.000 1.091 69 Q CA -1.001 54.989 55.803 0.313 0.000 0.797 69 Q CB 1.788 30.702 28.738 0.293 0.000 1.466 69 Q HN 0.412 nan 8.270 nan 0.000 0.436 70 L N 0.560 121.770 121.223 -0.022 0.000 2.505 70 L HA 0.665 5.006 4.340 0.003 0.000 0.266 70 L C -1.937 174.864 176.870 -0.116 0.000 0.954 70 L CA -0.515 54.159 54.840 -0.276 0.000 0.852 70 L CB 1.976 43.488 42.059 -0.912 0.000 1.282 70 L HN 0.873 nan 8.230 nan 0.000 0.403 71 I N 4.946 125.459 120.570 -0.096 0.000 2.460 71 I HA 0.623 4.794 4.170 0.003 0.000 0.298 71 I C -0.828 175.238 176.117 -0.086 0.000 0.989 71 I CA -0.976 60.298 61.300 -0.043 0.000 1.173 71 I CB 2.022 39.984 38.000 -0.062 0.000 1.338 71 I HN 0.292 nan 8.210 nan 0.000 0.456 72 V N 4.866 124.738 119.914 -0.070 0.000 2.525 72 V HA 0.429 4.551 4.120 0.003 0.000 0.299 72 V C -0.821 175.233 176.094 -0.066 0.000 1.034 72 V CA -0.525 61.726 62.300 -0.082 0.000 0.863 72 V CB 1.886 33.653 31.823 -0.095 0.000 0.999 72 V HN 0.677 nan 8.190 nan 0.000 0.423 73 D N 3.224 123.576 120.400 -0.081 0.000 2.879 73 D HA 0.310 4.952 4.640 0.003 0.000 0.236 73 D C 0.878 177.105 176.300 -0.121 0.000 1.171 73 D CA -0.642 53.295 54.000 -0.106 0.000 0.868 73 D CB 2.552 43.277 40.800 -0.124 0.000 1.598 73 D HN 0.619 nan 8.370 nan 0.000 0.497 74 R N 1.605 122.001 120.500 -0.174 0.000 2.280 74 R HA 0.025 4.366 4.340 0.003 0.000 0.207 74 R C 0.377 176.562 176.300 -0.191 0.000 1.043 74 R CA 0.134 56.119 56.100 -0.193 0.000 1.006 74 R CB 0.201 30.341 30.300 -0.266 0.000 0.885 74 R HN 0.253 nan 8.270 nan 0.000 0.467 75 W N 2.044 123.126 121.300 -0.363 0.000 2.448 75 W HA 0.283 4.945 4.660 0.003 0.000 0.339 75 W C -1.808 174.353 176.519 -0.596 0.000 1.124 75 W CA -2.838 54.128 57.345 -0.631 0.000 1.262 75 W CB 1.109 29.828 29.460 -1.235 0.000 1.251 75 W HN -0.127 nan 8.180 nan 0.000 0.597 76 P HA -0.025 nan 4.420 nan 0.000 0.249 76 P C -0.565 176.669 177.300 -0.111 0.000 1.241 76 P CA 0.693 63.749 63.100 -0.074 0.000 0.781 76 P CB -0.164 31.597 31.700 0.102 0.000 1.088 77 F N -2.023 117.805 119.950 -0.203 0.000 2.643 77 F HA 0.618 5.147 4.527 0.003 0.000 0.314 77 F C -1.053 174.561 175.800 -0.311 0.000 1.096 77 F CA -2.084 55.708 58.000 -0.347 0.000 0.953 77 F CB 0.456 39.109 39.000 -0.579 0.000 1.345 77 F HN -0.395 nan 8.300 nan 0.000 0.468 78 L N 0.777 121.962 121.223 -0.062 0.000 2.358 78 L HA 0.749 5.090 4.340 0.003 0.000 0.268 78 L C 0.922 177.875 176.870 0.139 0.000 1.032 78 L CA -0.171 54.622 54.840 -0.079 0.000 0.805 78 L CB 1.545 43.442 42.059 -0.269 0.000 1.253 78 L HN 1.162 nan 8.230 nan 0.000 0.452 79 G N -0.033 108.846 108.800 0.131 0.000 2.253 79 G HA2 0.032 3.994 3.960 0.003 0.000 0.209 79 G HA3 0.032 3.994 3.960 0.003 0.000 0.209 79 G C 0.585 175.631 174.900 0.244 0.000 0.997 79 G CA -0.161 45.047 45.100 0.181 0.000 0.640 79 G HN 1.425 nan 8.290 nan 0.000 0.496 80 G N -0.126 108.877 108.800 0.338 0.000 2.569 80 G HA2 0.068 4.030 3.960 0.003 0.000 0.259 80 G HA3 0.068 4.030 3.960 0.003 0.000 0.259 80 G C 1.498 176.680 174.900 0.471 0.000 1.263 80 G CA 2.204 47.565 45.100 0.435 0.000 0.928 80 G HN 2.001 nan 8.290 nan 0.000 0.572 81 S N -1.103 114.888 115.700 0.486 0.000 2.399 81 S HA -0.158 4.314 4.470 0.003 0.000 0.231 81 S C 2.496 177.283 174.600 0.311 0.000 1.022 81 S CA 2.261 60.734 58.200 0.456 0.000 0.983 81 S CB -1.005 62.458 63.200 0.438 0.000 0.803 81 S HN 1.698 nan 8.310 nan 0.000 0.480 82 c N 3.530 122.272 118.600 0.236 0.000 2.336 82 c HA -0.054 4.518 4.570 0.003 0.000 0.275 82 c C 0.129 174.310 174.090 0.152 0.000 1.175 82 c CA 1.788 58.218 56.329 0.169 0.000 1.771 82 c CB -1.317 41.269 42.510 0.126 0.000 2.030 82 c HN 0.586 nan 8.230 nan 0.000 0.442 83 P HA -0.061 nan 4.420 nan 0.000 0.227 83 P C 0.856 178.252 177.300 0.160 0.000 1.161 83 P CA 1.719 64.872 63.100 0.087 0.000 0.788 83 P CB -0.278 31.434 31.700 0.021 0.000 0.822 84 H N 1.586 120.706 119.070 0.082 0.000 2.431 84 H HA 0.021 4.579 4.556 0.003 0.000 0.295 84 H C 0.943 176.467 175.328 0.326 0.000 1.038 84 H CA 1.911 58.000 56.048 0.069 0.000 1.360 84 H CB 0.141 29.745 29.762 -0.263 0.000 1.433 84 H HN 0.179 nan 8.280 nan 0.000 0.536 85 N N -2.001 116.889 118.700 0.318 0.000 2.036 85 N HA 0.236 4.978 4.740 0.003 0.000 0.224 85 N C -0.126 175.586 175.510 0.337 0.000 1.381 85 N CA 0.406 53.634 53.050 0.296 0.000 0.746 85 N CB 0.203 38.906 38.487 0.361 0.000 1.213 85 N HN 0.232 nan 8.380 nan 0.000 0.524 86 A N 0.303 123.270 122.820 0.244 0.000 2.733 86 A HA 0.403 4.725 4.320 0.003 0.000 0.210 86 A C 1.694 179.388 177.584 0.183 0.000 2.062 86 A CA 0.518 52.676 52.037 0.201 0.000 1.765 86 A CB -0.735 18.369 19.000 0.174 0.000 1.287 86 A HN 0.272 nan 8.150 nan 0.000 0.395 87 c N -0.057 118.659 118.600 0.194 0.000 2.398 87 c HA -0.060 4.512 4.570 0.003 0.000 0.276 87 c C 2.493 176.661 174.090 0.130 0.000 1.222 87 c CA 0.982 57.465 56.329 0.256 0.000 1.746 87 c CB -1.715 40.891 42.510 0.161 0.000 2.039 87 c HN 0.386 nan 8.230 nan 0.000 0.470 88 V N 3.119 123.036 119.914 0.004 0.000 2.233 88 V HA -0.164 3.958 4.120 0.003 0.000 0.247 88 V C 0.416 176.330 176.094 -0.300 0.000 1.050 88 V CA 2.799 65.044 62.300 -0.092 0.000 1.010 88 V CB -2.026 29.800 31.823 0.004 0.000 0.637 88 V HN 0.394 nan 8.190 nan 0.000 0.444 89 P HA -0.235 nan 4.420 nan 0.000 0.216 89 P C 1.534 178.059 177.300 -1.291 0.000 1.150 89 P CA 2.250 64.519 63.100 -1.386 0.000 0.837 89 P CB -0.261 30.318 31.700 -1.868 0.000 0.786 90 H N 0.324 119.001 119.070 -0.655 0.000 2.352 90 H HA -0.169 4.389 4.556 0.003 0.000 0.299 90 H C 2.006 177.029 175.328 -0.508 0.000 1.097 90 H CA 1.735 57.492 56.048 -0.485 0.000 1.311 90 H CB -1.332 28.405 29.762 -0.041 0.000 1.377 90 H HN 0.246 nan 8.280 nan 0.000 0.504 91 H N -0.308 118.319 119.070 -0.739 0.000 2.462 91 H HA -0.046 4.511 4.556 0.003 0.000 0.292 91 H C 2.483 177.510 175.328 -0.502 0.000 1.049 91 H CA 0.935 56.588 56.048 -0.658 0.000 1.334 91 H CB 0.202 29.693 29.762 -0.453 0.000 1.404 91 H HN 0.367 nan 8.280 nan 0.000 0.544 92 L N 0.329 121.270 121.223 -0.470 0.000 2.027 92 L HA -0.161 4.181 4.340 0.003 0.000 0.206 92 L C 2.050 178.685 176.870 -0.392 0.000 1.074 92 L CA 1.196 55.788 54.840 -0.413 0.000 0.745 92 L CB -0.400 41.358 42.059 -0.501 0.000 0.898 92 L HN 0.157 nan 8.230 nan 0.000 0.433 93 F N -0.631 118.946 119.950 -0.622 0.000 2.134 93 F HA -0.227 4.301 4.527 0.003 0.000 0.299 93 F C 2.669 178.112 175.800 -0.595 0.000 1.097 93 F CA 0.865 58.273 58.000 -0.987 0.000 1.264 93 F CB -0.310 37.852 39.000 -1.397 0.000 1.001 93 F HN 0.099 nan 8.300 nan 0.000 0.479 94 S N -0.225 115.278 115.700 -0.328 0.000 2.383 94 S HA -0.184 4.288 4.470 0.003 0.000 0.227 94 S C 1.396 175.881 174.600 -0.192 0.000 1.026 94 S CA 1.318 59.326 58.200 -0.320 0.000 0.981 94 S CB -0.337 62.394 63.200 -0.782 0.000 0.818 94 S HN 0.296 nan 8.310 nan 0.000 0.472 95 D N 0.854 121.138 120.400 -0.193 0.000 2.097 95 D HA -0.071 4.571 4.640 0.003 0.000 0.195 95 D C 2.033 178.330 176.300 -0.005 0.000 0.989 95 D CA 0.858 54.807 54.000 -0.085 0.000 0.827 95 D CB -0.416 40.332 40.800 -0.087 0.000 0.966 95 D HN 0.341 nan 8.370 nan 0.000 0.456 96 C N 0.625 119.938 119.300 0.023 0.000 2.429 96 C HA -0.044 4.417 4.460 0.003 0.000 0.277 96 C C 2.847 177.950 174.990 0.188 0.000 1.262 96 C CA 0.757 59.858 59.018 0.139 0.000 1.733 96 C CB -1.096 26.800 27.740 0.261 0.000 2.010 96 C HN 0.371 nan 8.230 nan 0.000 0.483 97 A N 0.601 123.544 122.820 0.205 0.000 1.908 97 A HA 0.010 4.332 4.320 0.003 0.000 0.218 97 A C 2.366 180.078 177.584 0.215 0.000 1.181 97 A CA 2.237 54.403 52.037 0.214 0.000 0.627 97 A CB -0.915 18.150 19.000 0.108 0.000 0.818 97 A HN 0.586 nan 8.150 nan 0.000 0.445 98 A N -0.685 122.227 122.820 0.153 0.000 1.898 98 A HA -0.112 4.210 4.320 0.003 0.000 0.216 98 A C 1.963 179.597 177.584 0.083 0.000 1.181 98 A CA 1.599 53.723 52.037 0.146 0.000 0.620 98 A CB -0.391 18.675 19.000 0.110 0.000 0.819 98 A HN 0.450 nan 8.150 nan 0.000 0.442 99 E N 0.047 120.288 120.200 0.069 0.000 2.106 99 E HA -0.107 4.245 4.350 0.003 0.000 0.192 99 E C 2.041 178.702 176.600 0.102 0.000 0.984 99 E CA 0.819 57.268 56.400 0.081 0.000 0.806 99 E CB -0.367 29.385 29.700 0.086 0.000 0.750 99 E HN 0.667 nan 8.360 nan 0.000 0.458 100 L N 0.291 121.576 121.223 0.102 0.000 2.093 100 L HA -0.088 4.254 4.340 0.003 0.000 0.208 100 L C 2.699 179.587 176.870 0.031 0.000 1.085 100 L CA 0.826 55.711 54.840 0.075 0.000 0.755 100 L CB -0.304 41.800 42.059 0.075 0.000 0.904 100 L HN 0.154 nan 8.230 nan 0.000 0.435 101 M N -0.397 119.226 119.600 0.040 0.000 2.117 101 M HA -0.248 4.234 4.480 0.003 0.000 0.262 101 M C 2.237 178.547 176.300 0.017 0.000 1.065 101 M CA 1.752 57.029 55.300 -0.038 0.000 1.114 101 M CB -0.004 32.543 32.600 -0.089 0.000 1.361 101 M HN 0.220 nan 8.290 nan 0.000 0.408 102 L N 0.863 122.134 121.223 0.080 0.000 1.994 102 L HA -0.090 4.252 4.340 0.003 0.000 0.208 102 L C 2.516 179.266 176.870 -0.200 0.000 1.071 102 L CA 2.348 57.212 54.840 0.039 0.000 0.745 102 L CB -1.056 41.010 42.059 0.012 0.000 0.892 102 L HN 0.355 nan 8.230 nan 0.000 0.431 103 A N -0.577 122.154 122.820 -0.148 0.000 1.940 103 A HA -0.222 4.100 4.320 0.003 0.000 0.219 103 A C 2.417 179.892 177.584 -0.183 0.000 1.176 103 A CA 1.879 53.805 52.037 -0.186 0.000 0.631 103 A CB -0.555 18.508 19.000 0.104 0.000 0.814 103 A HN 0.527 nan 8.150 nan 0.000 0.446 104 R N -1.160 119.266 120.500 -0.124 0.000 2.090 104 R HA -0.047 4.295 4.340 0.003 0.000 0.228 104 R C 2.176 178.357 176.300 -0.198 0.000 1.110 104 R CA 1.603 57.627 56.100 -0.127 0.000 0.973 104 R CB -0.571 29.667 30.300 -0.104 0.000 0.869 104 R HN 0.513 nan 8.270 nan 0.000 0.440 105 T N 0.357 114.755 114.554 -0.260 0.000 2.821 105 T HA -0.080 4.272 4.350 0.003 0.000 0.267 105 T C 0.778 175.057 174.700 -0.702 0.000 1.046 105 T CA 1.196 63.028 62.100 -0.447 0.000 1.139 105 T CB -0.066 68.541 68.868 -0.435 0.000 0.871 105 T HN 0.120 nan 8.240 nan 0.000 0.454 106 F N 1.444 121.185 119.950 -0.349 0.000 2.837 106 F HA 0.414 4.942 4.527 0.003 0.000 0.298 106 F C 1.018 176.654 175.800 -0.274 0.000 1.161 106 F CA -0.752 57.039 58.000 -0.350 0.000 1.353 106 F CB 0.029 38.685 39.000 -0.572 0.000 0.951 106 F HN -0.080 nan 8.300 nan 0.000 0.508 107 S N 0.714 116.343 115.700 -0.118 0.000 2.784 107 S HA 0.270 4.742 4.470 0.003 0.000 0.322 107 S C 1.392 176.000 174.600 0.013 0.000 1.234 107 S CA 1.234 59.413 58.200 -0.034 0.000 1.064 107 S CB 0.010 63.177 63.200 -0.054 0.000 0.787 107 S HN 0.954 nan 8.310 nan 0.000 0.506 108 G N 4.168 113.005 108.800 0.062 0.000 2.498 108 G HA2 -0.279 3.683 3.960 0.003 0.000 0.229 108 G HA3 -0.279 3.683 3.960 0.003 0.000 0.229 108 G C 0.109 175.014 174.900 0.009 0.000 1.156 108 G CA 0.396 45.516 45.100 0.033 0.000 0.680 108 G HN 0.787 nan 8.290 nan 0.000 0.512 109 Q N 0.358 120.152 119.800 -0.010 0.000 2.386 109 Q HA 0.430 4.772 4.340 0.003 0.000 0.282 109 Q C 1.109 177.024 176.000 -0.141 0.000 1.050 109 Q CA 0.339 56.018 55.803 -0.207 0.000 0.918 109 Q CB 0.217 28.828 28.738 -0.211 0.000 1.266 109 Q HN 0.696 nan 8.270 nan 0.000 0.423 110 Y N -1.519 118.780 120.300 -0.002 0.000 2.831 110 Y HA -0.425 4.127 4.550 0.003 0.000 0.469 110 Y C 1.118 176.998 175.900 -0.032 0.000 1.152 110 Y CA 1.670 59.742 58.100 -0.048 0.000 2.680 110 Y CB -1.454 36.859 38.460 -0.244 0.000 1.183 110 Y HN 0.930 nan 8.280 nan 0.000 0.623 111 W N -0.231 121.082 121.300 0.021 0.000 3.290 111 W HA 0.467 5.129 4.660 0.003 0.000 0.287 111 W C -0.293 176.126 176.519 -0.167 0.000 1.288 111 W CA -0.845 56.415 57.345 -0.141 0.000 1.725 111 W CB -0.639 28.665 29.460 -0.259 0.000 1.103 111 W HN 0.059 nan 8.180 nan 0.000 0.670 112 F N 4.995 124.758 119.950 -0.312 0.000 2.456 112 F HA 0.284 4.812 4.527 0.003 0.000 0.358 112 F C -1.116 174.663 175.800 -0.035 0.000 1.095 112 F CA -2.329 55.567 58.000 -0.173 0.000 1.216 112 F CB 0.144 39.015 39.000 -0.215 0.000 1.125 112 F HN -0.289 nan 8.300 nan 0.000 0.549 113 P HA -0.010 nan 4.420 nan 0.000 0.275 113 P C -0.889 176.467 177.300 0.093 0.000 1.266 113 P CA -0.419 62.751 63.100 0.118 0.000 0.793 113 P CB 0.812 32.575 31.700 0.106 0.000 1.074 114 D N 1.028 121.460 120.400 0.054 0.000 2.343 114 D HA 0.078 4.720 4.640 0.003 0.000 0.255 114 D C 0.845 177.158 176.300 0.023 0.000 1.187 114 D CA 0.023 54.040 54.000 0.029 0.000 0.875 114 D CB 0.297 41.106 40.800 0.016 0.000 1.136 114 D HN 0.068 nan 8.370 nan 0.000 0.469 115 M N 1.835 121.440 119.600 0.009 0.000 2.441 115 M HA 0.007 4.489 4.480 0.003 0.000 0.244 115 M C 0.736 177.027 176.300 -0.015 0.000 1.122 115 M CA 0.164 55.464 55.300 -0.001 0.000 1.041 115 M CB -0.946 31.647 32.600 -0.011 0.000 1.438 115 M HN 0.407 nan 8.290 nan 0.000 0.484 116 T N 0.008 114.552 114.554 -0.017 0.000 2.871 116 T HA 0.084 4.436 4.350 0.003 0.000 0.296 116 T C 0.681 175.371 174.700 -0.016 0.000 0.998 116 T CA 0.208 62.295 62.100 -0.022 0.000 1.162 116 T CB 0.765 69.621 68.868 -0.021 0.000 0.947 116 T HN 0.411 nan 8.240 nan 0.000 0.536 117 E N -0.262 119.926 120.200 -0.020 0.000 2.791 117 E HA -0.198 4.154 4.350 0.003 0.000 0.271 117 E C -0.392 176.198 176.600 -0.016 0.000 1.044 117 E CA 1.201 57.591 56.400 -0.017 0.000 0.814 117 E CB -1.120 28.572 29.700 -0.013 0.000 1.400 117 E HN 0.834 nan 8.360 nan 0.000 0.423 118 K N 0.118 120.507 120.400 -0.017 0.000 2.293 118 K HA 0.489 4.811 4.320 0.003 0.000 0.267 118 K C -1.252 175.332 176.600 -0.026 0.000 1.010 118 K CA -0.721 55.557 56.287 -0.015 0.000 0.875 118 K CB 1.267 33.764 32.500 -0.005 0.000 1.106 118 K HN -0.012 nan 8.250 nan 0.000 0.450 119 V N 5.382 125.277 119.914 -0.031 0.000 2.370 119 V HA 0.361 4.483 4.120 0.003 0.000 0.283 119 V C -0.295 175.767 176.094 -0.053 0.000 1.023 119 V CA -1.089 61.180 62.300 -0.051 0.000 0.857 119 V CB 1.538 33.328 31.823 -0.055 0.000 0.985 119 V HN 0.545 nan 8.190 nan 0.000 0.443 120 V N 3.645 123.516 119.914 -0.071 0.000 2.583 120 V HA 0.442 4.564 4.120 0.003 0.000 0.287 120 V C 1.127 177.168 176.094 -0.090 0.000 1.051 120 V CA -0.172 62.091 62.300 -0.061 0.000 1.010 120 V CB 1.483 33.271 31.823 -0.058 0.000 0.988 120 V HN 0.988 nan 8.190 nan 0.000 0.478 121 G N 3.562 112.329 108.800 -0.056 0.000 2.356 121 G HA2 0.348 4.309 3.960 0.003 0.000 0.273 121 G HA3 0.348 4.309 3.960 0.003 0.000 0.273 121 G C 0.792 175.651 174.900 -0.068 0.000 1.213 121 G CA -0.317 44.740 45.100 -0.071 0.000 0.955 121 G HN 0.736 nan 8.290 nan 0.000 0.454 122 I N 1.791 122.272 120.570 -0.147 0.000 2.202 122 I HA -0.159 4.012 4.170 0.003 0.000 0.242 122 I C 2.754 178.831 176.117 -0.066 0.000 1.091 122 I CA 1.179 62.408 61.300 -0.118 0.000 1.368 122 I CB -0.047 37.771 38.000 -0.303 0.000 1.058 122 I HN 0.555 nan 8.210 nan 0.000 0.410 123 K N 0.912 121.230 120.400 -0.137 0.000 2.152 123 K HA -0.205 4.117 4.320 0.003 0.000 0.206 123 K C 1.957 178.556 176.600 -0.002 0.000 1.048 123 K CA 1.305 57.539 56.287 -0.088 0.000 0.933 123 K CB 0.093 32.523 32.500 -0.116 0.000 0.721 123 K HN 0.268 nan 8.250 nan 0.000 0.447 124 E N 0.365 120.569 120.200 0.007 0.000 2.058 124 E HA -0.170 4.182 4.350 0.003 0.000 0.194 124 E C 2.152 178.801 176.600 0.082 0.000 0.997 124 E CA 1.293 57.716 56.400 0.039 0.000 0.801 124 E CB -0.388 29.332 29.700 0.033 0.000 0.746 124 E HN 0.173 nan 8.360 nan 0.000 0.450 125 V N 1.462 121.449 119.914 0.121 0.000 2.358 125 V HA -0.183 3.939 4.120 0.003 0.000 0.246 125 V C 2.640 178.881 176.094 0.246 0.000 1.047 125 V CA 1.218 63.631 62.300 0.188 0.000 1.035 125 V CB -0.522 31.461 31.823 0.268 0.000 0.658 125 V HN 0.043 nan 8.190 nan 0.000 0.452 126 V N 0.255 120.297 119.914 0.213 0.000 2.407 126 V HA -0.251 3.870 4.120 0.003 0.000 0.248 126 V C 2.279 178.521 176.094 0.246 0.000 1.055 126 V CA 2.131 64.606 62.300 0.292 0.000 1.049 126 V CB -0.704 31.223 31.823 0.173 0.000 0.662 126 V HN 0.538 nan 8.190 nan 0.000 0.455 127 D N -0.154 120.330 120.400 0.140 0.000 2.144 127 D HA -0.136 4.506 4.640 0.003 0.000 0.199 127 D C 1.945 178.290 176.300 0.075 0.000 0.984 127 D CA 1.037 55.091 54.000 0.090 0.000 0.834 127 D CB -0.258 40.577 40.800 0.057 0.000 0.955 127 D HN 0.376 nan 8.370 nan 0.000 0.465 128 L N -0.030 121.254 121.223 0.100 0.000 2.046 128 L HA -0.104 4.238 4.340 0.003 0.000 0.208 128 L C 2.078 178.985 176.870 0.061 0.000 1.077 128 L CA 1.478 56.360 54.840 0.070 0.000 0.747 128 L CB -0.842 41.269 42.059 0.087 0.000 0.896 128 L HN 0.023 nan 8.230 nan 0.000 0.432 129 F N 0.341 120.285 119.950 -0.010 0.000 2.075 129 F HA -0.225 4.303 4.527 0.003 0.000 0.297 129 F C 2.557 178.309 175.800 -0.081 0.000 1.113 129 F CA 1.709 59.665 58.000 -0.073 0.000 1.218 129 F CB -0.191 38.763 39.000 -0.076 0.000 0.984 129 F HN -0.016 nan 8.300 nan 0.000 0.472 130 R N 0.346 120.700 120.500 -0.242 0.000 2.105 130 R HA -0.167 4.175 4.340 0.003 0.000 0.239 130 R C 2.412 178.551 176.300 -0.269 0.000 1.135 130 R CA 1.304 57.216 56.100 -0.313 0.000 0.967 130 R CB -0.840 29.427 30.300 -0.056 0.000 0.861 130 R HN 0.433 nan 8.270 nan 0.000 0.442 131 A N 0.053 122.777 122.820 -0.160 0.000 2.015 131 A HA -0.032 4.290 4.320 0.003 0.000 0.219 131 A C 2.002 179.489 177.584 -0.161 0.000 1.163 131 A CA 1.631 53.597 52.037 -0.118 0.000 0.646 131 A CB -0.288 18.677 19.000 -0.058 0.000 0.806 131 A HN 0.471 nan 8.150 nan 0.000 0.448 132 G N -0.695 107.964 108.800 -0.236 0.000 3.228 132 G HA2 0.140 4.102 3.960 0.003 0.000 0.245 132 G HA3 0.140 4.102 3.960 0.003 0.000 0.245 132 G C 1.289 175.972 174.900 -0.361 0.000 1.051 132 G CA 0.407 45.367 45.100 -0.234 0.000 0.809 132 G HN 0.645 nan 8.290 nan 0.000 0.531 133 R N 0.511 120.649 120.500 -0.602 0.000 2.241 133 R HA 0.049 4.391 4.340 0.003 0.000 0.224 133 R C 1.370 177.194 176.300 -0.793 0.000 1.101 133 R CA 1.041 56.663 56.100 -0.798 0.000 0.995 133 R CB -0.402 29.173 30.300 -1.208 0.000 0.870 133 R HN 0.107 nan 8.270 nan 0.000 0.463 134 N N 1.003 119.432 118.700 -0.453 0.000 2.459 134 N HA -0.068 4.674 4.740 0.003 0.000 0.181 134 N C 1.756 177.168 175.510 -0.163 0.000 1.046 134 N CA 1.198 54.108 53.050 -0.233 0.000 0.904 134 N CB -0.046 38.415 38.487 -0.044 0.000 0.964 134 N HN 0.500 nan 8.380 nan 0.000 0.444 135 G N 2.553 111.234 108.800 -0.198 0.000 2.480 135 G HA2 -0.176 3.786 3.960 0.003 0.000 0.216 135 G HA3 -0.176 3.786 3.960 0.003 0.000 0.216 135 G C -0.720 174.110 174.900 -0.117 0.000 1.200 135 G CA 0.569 45.596 45.100 -0.121 0.000 0.782 135 G HN 0.308 nan 8.290 nan 0.000 0.554 136 P HA -0.098 nan 4.420 nan 0.000 0.216 136 P C 1.445 178.707 177.300 -0.064 0.000 1.150 136 P CA 1.193 64.209 63.100 -0.139 0.000 0.837 136 P CB -0.076 31.508 31.700 -0.192 0.000 0.786 137 H N -0.815 118.150 119.070 -0.174 0.000 2.319 137 H HA -0.062 4.496 4.556 0.003 0.000 0.299 137 H C 2.259 177.543 175.328 -0.074 0.000 1.092 137 H CA 1.805 57.739 56.048 -0.191 0.000 1.302 137 H CB -1.328 28.262 29.762 -0.287 0.000 1.373 137 H HN 0.124 nan 8.280 nan 0.000 0.497 138 G N 0.602 109.477 108.800 0.125 0.000 2.418 138 G HA2 -0.185 3.777 3.960 0.003 0.000 0.217 138 G HA3 -0.185 3.777 3.960 0.003 0.000 0.217 138 G C 1.907 176.871 174.900 0.106 0.000 1.158 138 G CA 0.925 46.124 45.100 0.166 0.000 0.771 138 G HN 0.366 nan 8.290 nan 0.000 0.545 139 I N 0.514 121.120 120.570 0.060 0.000 2.226 139 I HA -0.167 4.005 4.170 0.003 0.000 0.245 139 I C 2.880 179.042 176.117 0.076 0.000 1.100 139 I CA 0.752 62.095 61.300 0.072 0.000 1.374 139 I CB -0.236 37.777 38.000 0.022 0.000 1.057 139 I HN 0.107 nan 8.210 nan 0.000 0.413 140 M N 0.384 119.989 119.600 0.008 0.000 2.086 140 M HA -0.213 4.269 4.480 0.003 0.000 0.261 140 M C 2.000 178.202 176.300 -0.163 0.000 1.067 140 M CA 1.903 57.177 55.300 -0.044 0.000 1.116 140 M CB -1.614 30.974 32.600 -0.020 0.000 1.348 140 M HN 0.350 nan 8.290 nan 0.000 0.407 141 N N -0.577 117.936 118.700 -0.312 0.000 2.120 141 N HA -0.169 4.572 4.740 0.003 0.000 0.188 141 N C 1.725 176.924 175.510 -0.519 0.000 1.024 141 N CA 1.012 53.663 53.050 -0.666 0.000 0.852 141 N CB -0.162 37.532 38.487 -1.322 0.000 1.003 141 N HN 0.167 nan 8.380 nan 0.000 0.424 142 F N 2.288 121.972 119.950 -0.443 0.000 2.060 142 F HA -0.178 4.350 4.527 0.003 0.000 0.295 142 F C 2.760 178.560 175.800 0.000 0.000 1.120 142 F CA 1.442 59.407 58.000 -0.059 0.000 1.205 142 F CB -0.454 38.627 39.000 0.136 0.000 0.986 142 F HN -0.026 nan 8.300 nan 0.000 0.470 143 Q N -0.004 119.905 119.800 0.181 0.000 2.061 143 Q HA -0.204 4.138 4.340 0.003 0.000 0.204 143 Q C 2.274 178.220 176.000 -0.090 0.000 0.984 143 Q CA 2.267 58.108 55.803 0.062 0.000 0.846 143 Q CB -0.262 28.530 28.738 0.090 0.000 0.902 143 Q HN 0.473 nan 8.270 nan 0.000 0.421 144 S N 0.513 116.159 115.700 -0.089 0.000 2.356 144 S HA -0.168 4.304 4.470 0.003 0.000 0.223 144 S C 1.777 176.368 174.600 -0.015 0.000 1.032 144 S CA 1.571 59.732 58.200 -0.064 0.000 1.005 144 S CB -0.184 62.973 63.200 -0.072 0.000 0.867 144 S HN 0.349 nan 8.310 nan 0.000 0.449 145 K N 0.681 121.075 120.400 -0.009 0.000 2.044 145 K HA -0.013 4.308 4.320 0.003 0.000 0.204 145 K C 1.790 178.301 176.600 -0.147 0.000 1.045 145 K CA 0.993 57.243 56.287 -0.062 0.000 0.951 145 K CB 0.029 32.531 32.500 0.003 0.000 0.738 145 K HN 0.087 nan 8.250 nan 0.000 0.443 146 E N 0.488 120.513 120.200 -0.292 0.000 2.170 146 E HA -0.097 4.255 4.350 0.003 0.000 0.191 146 E C 1.862 178.316 176.600 -0.244 0.000 0.981 146 E CA 1.054 57.251 56.400 -0.338 0.000 0.830 146 E CB 0.238 29.491 29.700 -0.744 0.000 0.775 146 E HN 0.448 nan 8.360 nan 0.000 0.470 147 Q N -0.432 119.236 119.800 -0.220 0.000 2.394 147 Q HA 0.230 4.572 4.340 0.003 0.000 0.218 147 Q C 1.906 177.846 176.000 -0.101 0.000 0.907 147 Q CA 0.168 55.902 55.803 -0.115 0.000 0.919 147 Q CB 0.640 29.347 28.738 -0.052 0.000 1.051 147 Q HN 0.158 nan 8.270 nan 0.000 0.538 148 L N 0.547 121.702 121.223 -0.113 0.000 2.640 148 L HA 0.165 4.507 4.340 0.003 0.000 0.230 148 L C -0.302 176.506 176.870 -0.103 0.000 1.123 148 L CA -0.209 54.563 54.840 -0.115 0.000 0.900 148 L CB 0.114 42.091 42.059 -0.138 0.000 1.146 148 L HN 0.178 nan 8.230 nan 0.000 0.484 149 N N 1.237 119.878 118.700 -0.099 0.000 2.727 149 N HA -0.168 4.574 4.740 0.003 0.000 0.249 149 N C -0.392 175.061 175.510 -0.095 0.000 1.048 149 N CA 0.813 53.807 53.050 -0.094 0.000 0.714 149 N CB -1.610 36.830 38.487 -0.078 0.000 0.959 149 N HN 0.338 nan 8.380 nan 0.000 0.544 150 L N 0.202 121.369 121.223 -0.093 0.000 2.379 150 L HA 0.350 4.692 4.340 0.003 0.000 0.269 150 L C 0.940 177.706 176.870 -0.173 0.000 1.084 150 L CA -0.440 54.354 54.840 -0.077 0.000 0.802 150 L CB 1.004 43.059 42.059 -0.008 0.000 1.175 150 L HN 0.011 nan 8.230 nan 0.000 0.448 151 E N 1.281 121.393 120.200 -0.147 0.000 2.179 151 E HA 0.515 4.867 4.350 0.003 0.000 0.275 151 E C -1.712 174.768 176.600 -0.200 0.000 0.945 151 E CA -0.473 55.769 56.400 -0.264 0.000 0.792 151 E CB 1.866 31.500 29.700 -0.111 0.000 1.125 151 E HN 0.399 nan 8.360 nan 0.000 0.397 152 Y N -0.407 119.748 120.300 -0.242 0.000 2.641 152 Y HA 0.557 5.109 4.550 0.003 0.000 0.333 152 Y C -1.504 174.237 175.900 -0.265 0.000 1.174 152 Y CA -1.317 56.633 58.100 -0.250 0.000 1.057 152 Y CB 0.774 39.109 38.460 -0.208 0.000 1.322 152 Y HN 0.324 nan 8.280 nan 0.000 0.457 153 I N 4.048 124.643 120.570 0.041 0.000 2.439 153 I HA 0.439 4.610 4.170 0.003 0.000 0.283 153 I C -0.925 175.221 176.117 0.049 0.000 1.023 153 I CA -0.547 60.772 61.300 0.030 0.000 1.100 153 I CB 1.378 39.359 38.000 -0.031 0.000 1.238 153 I HN 0.520 nan 8.210 nan 0.000 0.445 154 L N 5.043 126.317 121.223 0.084 0.000 2.332 154 L HA 0.521 4.863 4.340 0.003 0.000 0.269 154 L C 0.754 177.653 176.870 0.049 0.000 1.016 154 L CA -0.849 53.994 54.840 0.005 0.000 0.809 154 L CB 0.843 42.866 42.059 -0.059 0.000 1.280 154 L HN 0.644 nan 8.230 nan 0.000 0.447 155 N N -0.019 118.683 118.700 0.004 0.000 2.754 155 N HA -0.204 4.538 4.740 0.003 0.000 0.248 155 N C -1.082 174.451 175.510 0.039 0.000 1.093 155 N CA 0.569 53.641 53.050 0.036 0.000 0.699 155 N CB -0.820 37.730 38.487 0.104 0.000 1.016 155 N HN 0.721 nan 8.380 nan 0.000 0.552 156 C N 0.505 119.808 119.300 0.006 0.000 2.705 156 C HA 0.572 5.034 4.460 0.003 0.000 0.369 156 C C -2.626 172.352 174.990 -0.021 0.000 1.069 156 C CA -1.355 57.673 59.018 0.015 0.000 1.260 156 C CB 0.965 28.738 27.740 0.056 0.000 1.764 156 C HN 0.295 nan 8.230 nan 0.000 0.469 157 P HA 0.330 nan 4.420 nan 0.000 0.271 157 P C -0.560 176.727 177.300 -0.022 0.000 1.216 157 P CA 0.319 63.389 63.100 -0.049 0.000 0.771 157 P CB 0.742 32.413 31.700 -0.049 0.000 0.864 158 A N 3.382 126.184 122.820 -0.030 0.000 2.354 158 A HA 0.449 4.771 4.320 0.003 0.000 0.269 158 A C -0.180 177.403 177.584 -0.000 0.000 1.109 158 A CA -0.153 51.877 52.037 -0.011 0.000 0.800 158 A CB 0.067 19.053 19.000 -0.023 0.000 1.045 158 A HN 0.360 nan 8.150 nan 0.000 0.489 159 K N 1.638 122.050 120.400 0.021 0.000 2.464 159 K HA 0.441 4.763 4.320 0.003 0.000 0.252 159 K C -1.052 175.566 176.600 0.029 0.000 1.000 159 K CA -0.235 56.065 56.287 0.022 0.000 0.951 159 K CB 1.537 34.056 32.500 0.032 0.000 1.183 159 K HN 0.346 nan 8.250 nan 0.000 0.445 160 V N 5.574 125.497 119.914 0.016 0.000 2.439 160 V HA 0.029 4.151 4.120 0.003 0.000 0.271 160 V C 1.386 177.495 176.094 0.024 0.000 1.040 160 V CA -0.152 62.159 62.300 0.018 0.000 1.002 160 V CB 0.145 31.970 31.823 0.004 0.000 1.000 160 V HN 0.670 nan 8.190 nan 0.000 0.477 161 I N 3.347 123.940 120.570 0.037 0.000 2.188 161 I HA 0.080 4.252 4.170 0.003 0.000 0.237 161 I C 0.893 177.033 176.117 0.037 0.000 1.073 161 I CA 1.229 62.552 61.300 0.039 0.000 1.359 161 I CB -0.577 37.453 38.000 0.050 0.000 1.083 161 I HN 0.841 nan 8.210 nan 0.000 0.412 162 D N -1.193 119.236 120.400 0.047 0.000 2.812 162 D HA 0.018 4.660 4.640 0.003 0.000 0.318 162 D C 0.184 176.508 176.300 0.039 0.000 1.234 162 D CA -0.521 53.509 54.000 0.050 0.000 0.989 162 D CB -0.341 40.503 40.800 0.073 0.000 1.442 162 D HN 0.179 nan 8.370 nan 0.000 0.537 163 N N -1.556 117.166 118.700 0.036 0.000 2.609 163 N HA -0.121 4.620 4.740 0.003 0.000 0.190 163 N C 0.022 175.375 175.510 -0.262 0.000 1.157 163 N CA 0.608 53.611 53.050 -0.080 0.000 0.918 163 N CB -0.260 38.172 38.487 -0.092 0.000 0.978 163 N HN 0.336 nan 8.380 nan 0.000 0.448 164 H N -1.760 117.330 119.070 0.034 0.000 3.367 164 H HA 0.247 4.805 4.556 0.003 0.000 0.257 164 H C -0.827 174.537 175.328 0.061 0.000 1.201 164 H CA -0.175 55.901 56.048 0.047 0.000 1.102 164 H CB 1.233 31.023 29.762 0.046 0.000 1.656 164 H HN 0.096 nan 8.280 nan 0.000 0.662 165 T N 1.003 115.640 114.554 0.138 0.000 2.881 165 T HA 0.621 4.973 4.350 0.003 0.000 0.290 165 T C -0.859 173.898 174.700 0.095 0.000 1.000 165 T CA -0.675 61.499 62.100 0.123 0.000 0.978 165 T CB 2.430 71.361 68.868 0.105 0.000 0.997 165 T HN -0.129 nan 8.240 nan 0.000 0.443 166 V N 2.117 122.106 119.914 0.126 0.000 2.808 166 V HA 0.519 4.641 4.120 0.003 0.000 0.308 166 V C -0.493 175.716 176.094 0.192 0.000 1.099 166 V CA -0.987 61.382 62.300 0.115 0.000 0.920 166 V CB 2.174 34.037 31.823 0.066 0.000 1.014 166 V HN 0.961 nan 8.190 nan 0.000 0.425 167 E N 3.024 123.313 120.200 0.147 0.000 2.166 167 E HA 0.798 5.150 4.350 0.003 0.000 0.275 167 E C -0.733 175.979 176.600 0.186 0.000 0.941 167 E CA -0.502 56.005 56.400 0.177 0.000 0.784 167 E CB 1.811 31.572 29.700 0.101 0.000 1.115 167 E HN 0.985 nan 8.360 nan 0.000 0.399 168 A N 3.037 126.033 122.820 0.292 0.000 2.517 168 A HA 0.633 4.955 4.320 0.003 0.000 0.297 168 A C -0.031 177.737 177.584 0.307 0.000 1.050 168 A CA -0.094 52.084 52.037 0.235 0.000 0.694 168 A CB 1.325 20.402 19.000 0.128 0.000 1.277 168 A HN 1.424 nan 8.150 nan 0.000 0.400 169 A N 0.720 123.662 122.820 0.203 0.000 2.799 169 A HA 0.282 4.603 4.320 0.003 0.000 0.287 169 A C 2.073 179.723 177.584 0.110 0.000 1.484 169 A CA 1.997 54.137 52.037 0.173 0.000 0.813 169 A CB -1.789 17.372 19.000 0.268 0.000 1.009 169 A HN 3.171 nan 8.150 nan 0.000 0.545 170 G N -2.194 106.665 108.800 0.099 0.000 2.160 170 G HA2 -0.275 3.687 3.960 0.003 0.000 0.251 170 G HA3 -0.275 3.687 3.960 0.003 0.000 0.251 170 G C 0.017 174.938 174.900 0.036 0.000 1.008 170 G CA 1.336 46.468 45.100 0.053 0.000 0.724 170 G HN 1.233 nan 8.290 nan 0.000 0.514 171 K N -1.090 119.358 120.400 0.080 0.000 2.400 171 K HA 0.706 5.028 4.320 0.003 0.000 0.246 171 K C -0.505 176.059 176.600 -0.061 0.000 0.995 171 K CA -1.018 55.243 56.287 -0.043 0.000 0.840 171 K CB 2.835 35.256 32.500 -0.130 0.000 1.293 171 K HN 0.013 nan 8.250 nan 0.000 0.445 172 V N 2.419 122.202 119.914 -0.220 0.000 2.435 172 V HA 0.459 4.581 4.120 0.003 0.000 0.290 172 V C -1.053 174.853 176.094 -0.313 0.000 1.030 172 V CA -0.565 61.663 62.300 -0.120 0.000 0.881 172 V CB 0.532 32.322 31.823 -0.056 0.000 0.983 172 V HN 0.511 nan 8.190 nan 0.000 0.445 173 F N 3.778 123.771 119.950 0.072 0.000 2.532 173 F HA 0.645 5.174 4.527 0.003 0.000 0.321 173 F C 0.293 176.154 175.800 0.101 0.000 1.089 173 F CA -0.903 57.156 58.000 0.099 0.000 0.926 173 F CB 1.970 40.991 39.000 0.035 0.000 1.168 173 F HN 0.214 nan 8.300 nan 0.000 0.459 174 K N 1.982 122.576 120.400 0.323 0.000 2.203 174 K HA 0.927 5.248 4.320 0.003 0.000 0.251 174 K C -0.899 175.882 176.600 0.303 0.000 0.944 174 K CA -0.832 55.605 56.287 0.250 0.000 0.829 174 K CB 2.260 34.866 32.500 0.177 0.000 1.125 174 K HN 0.734 nan 8.250 nan 0.000 0.430 175 A N 1.314 124.285 122.820 0.251 0.000 2.606 175 A HA 0.389 4.711 4.320 0.003 0.000 0.293 175 A C 0.142 177.873 177.584 0.245 0.000 1.082 175 A CA -0.657 51.521 52.037 0.236 0.000 0.685 175 A CB 1.214 20.302 19.000 0.146 0.000 1.284 175 A HN 0.619 nan 8.150 nan 0.000 0.408 176 K N 0.232 120.753 120.400 0.202 0.000 2.217 176 K HA 0.048 4.370 4.320 0.003 0.000 0.202 176 K C 0.106 176.772 176.600 0.110 0.000 1.051 176 K CA 0.991 57.411 56.287 0.222 0.000 0.952 176 K CB 0.028 32.615 32.500 0.145 0.000 0.736 176 K HN 0.633 nan 8.250 nan 0.000 0.453 177 N N -0.117 118.594 118.700 0.019 0.000 2.610 177 N HA 0.357 5.099 4.740 0.003 0.000 0.264 177 N C -1.376 174.073 175.510 -0.102 0.000 1.348 177 N CA -0.589 52.432 53.050 -0.048 0.000 0.819 177 N CB 2.142 40.642 38.487 0.021 0.000 1.521 177 N HN -0.141 nan 8.380 nan 0.000 0.497 178 L N 1.541 122.706 121.223 -0.095 0.000 2.365 178 L HA 0.605 4.947 4.340 0.003 0.000 0.273 178 L C -0.673 176.128 176.870 -0.114 0.000 1.000 178 L CA -0.673 54.092 54.840 -0.125 0.000 0.819 178 L CB 2.112 44.113 42.059 -0.097 0.000 1.284 178 L HN 0.387 nan 8.230 nan 0.000 0.418 179 I N 4.481 124.895 120.570 -0.261 0.000 2.420 179 I HA 0.302 4.474 4.170 0.003 0.000 0.282 179 I C -0.446 175.609 176.117 -0.103 0.000 1.019 179 I CA -0.473 60.676 61.300 -0.252 0.000 1.130 179 I CB 1.670 39.230 38.000 -0.734 0.000 1.262 179 I HN 0.362 nan 8.210 nan 0.000 0.454 180 L N 6.389 127.607 121.223 -0.008 0.000 2.315 180 L HA 0.495 4.837 4.340 0.003 0.000 0.283 180 L C 0.668 177.572 176.870 0.057 0.000 1.089 180 L CA -0.102 54.749 54.840 0.019 0.000 0.833 180 L CB 0.849 42.916 42.059 0.014 0.000 1.170 180 L HN 0.725 nan 8.230 nan 0.000 0.442 181 A N 3.192 126.057 122.820 0.074 0.000 3.234 181 A HA 0.366 4.688 4.320 0.003 0.000 0.247 181 A C 0.631 178.253 177.584 0.064 0.000 0.938 181 A CA -0.295 51.799 52.037 0.094 0.000 1.039 181 A CB 0.277 19.377 19.000 0.166 0.000 1.197 181 A HN 0.584 nan 8.150 nan 0.000 0.498 182 V N -2.714 117.220 119.914 0.033 0.000 3.623 182 V HA 0.497 4.619 4.120 0.003 0.000 0.271 182 V C 1.256 177.359 176.094 0.016 0.000 1.248 182 V CA 0.554 62.859 62.300 0.008 0.000 1.156 182 V CB -1.463 30.350 31.823 -0.017 0.000 0.870 182 V HN 1.783 nan 8.190 nan 0.000 0.453 183 G N 0.495 109.316 108.800 0.035 0.000 2.564 183 G HA2 0.142 4.104 3.960 0.003 0.000 0.273 183 G HA3 0.142 4.104 3.960 0.003 0.000 0.273 183 G C 0.071 174.990 174.900 0.032 0.000 1.242 183 G CA 0.325 45.451 45.100 0.043 0.000 0.951 183 G HN 1.930 nan 8.290 nan 0.000 0.564 184 A N -1.254 121.594 122.820 0.047 0.000 2.469 184 A HA 1.009 5.331 4.320 0.003 0.000 0.299 184 A C 0.356 177.982 177.584 0.071 0.000 1.098 184 A CA 0.676 52.739 52.037 0.043 0.000 0.737 184 A CB 1.590 20.610 19.000 0.034 0.000 1.312 184 A HN 2.436 nan 8.150 nan 0.000 0.414 185 G N -0.319 108.516 108.800 0.058 0.000 2.489 185 G HA2 0.658 4.619 3.960 0.003 0.000 0.327 185 G HA3 0.658 4.619 3.960 0.003 0.000 0.327 185 G C -3.140 171.814 174.900 0.091 0.000 1.189 185 G CA -1.893 43.252 45.100 0.076 0.000 0.962 185 G HN 0.448 nan 8.290 nan 0.000 0.486 186 P HA 0.147 nan 4.420 nan 0.000 0.264 186 P C 0.706 178.024 177.300 0.029 0.000 1.183 186 P CA 0.252 63.409 63.100 0.096 0.000 0.763 186 P CB 0.703 32.408 31.700 0.009 0.000 0.807 187 G N 2.162 110.973 108.800 0.018 0.000 2.544 187 G HA2 0.422 4.383 3.960 0.003 0.000 0.242 187 G HA3 0.422 4.383 3.960 0.003 0.000 0.242 187 G C -0.206 174.678 174.900 -0.027 0.000 1.247 187 G CA -0.183 44.913 45.100 -0.006 0.000 0.840 187 G HN 0.523 nan 8.290 nan 0.000 0.578 188 T N -1.331 113.207 114.554 -0.027 0.000 2.925 188 T HA 0.583 4.935 4.350 0.003 0.000 0.285 188 T C -0.566 174.112 174.700 -0.038 0.000 1.021 188 T CA -0.842 61.236 62.100 -0.037 0.000 1.042 188 T CB 1.884 70.734 68.868 -0.030 0.000 1.037 188 T HN 0.399 nan 8.240 nan 0.000 0.481 189 L N 1.806 123.002 121.223 -0.045 0.000 2.319 189 L HA 0.490 4.832 4.340 0.003 0.000 0.281 189 L C -0.917 175.931 176.870 -0.037 0.000 1.005 189 L CA -0.335 54.480 54.840 -0.041 0.000 0.828 189 L CB 1.232 43.260 42.059 -0.050 0.000 1.227 189 L HN 0.676 nan 8.230 nan 0.000 0.415 190 D N 4.275 124.658 120.400 -0.029 0.000 2.608 190 D HA 0.322 4.964 4.640 0.003 0.000 0.224 190 D C -0.464 175.822 176.300 -0.024 0.000 1.123 190 D CA 0.546 54.531 54.000 -0.025 0.000 1.030 190 D CB 0.086 40.874 40.800 -0.020 0.000 1.093 190 D HN 0.319 nan 8.370 nan 0.000 0.497 191 V N -1.165 118.732 119.914 -0.029 0.000 3.007 191 V HA 0.735 4.857 4.120 0.003 0.000 0.311 191 V C -2.713 173.363 176.094 -0.029 0.000 1.120 191 V CA -2.336 59.949 62.300 -0.026 0.000 0.980 191 V CB 2.303 34.111 31.823 -0.026 0.000 1.033 191 V HN -0.043 nan 8.190 nan 0.000 0.429 192 P HA 0.362 nan 4.420 nan 0.000 0.271 192 P C 0.853 178.134 177.300 -0.032 0.000 1.216 192 P CA 1.420 64.504 63.100 -0.027 0.000 0.776 192 P CB 1.166 32.853 31.700 -0.022 0.000 0.881 193 G N 1.402 110.179 108.800 -0.037 0.000 2.176 193 G HA2 -0.317 3.645 3.960 0.003 0.000 0.253 193 G HA3 -0.317 3.645 3.960 0.003 0.000 0.253 193 G C 0.828 175.692 174.900 -0.059 0.000 0.979 193 G CA 0.128 45.202 45.100 -0.044 0.000 0.641 193 G HN 0.504 nan 8.290 nan 0.000 0.530 194 V N 0.842 120.721 119.914 -0.060 0.000 2.688 194 V HA -0.078 4.044 4.120 0.003 0.000 0.256 194 V C 1.891 177.928 176.094 -0.094 0.000 1.084 194 V CA 2.542 64.797 62.300 -0.076 0.000 1.103 194 V CB -0.264 31.519 31.823 -0.066 0.000 0.688 194 V HN 0.544 nan 8.190 nan 0.000 0.480 195 N N 0.390 119.042 118.700 -0.081 0.000 2.270 195 N HA 0.255 4.997 4.740 0.003 0.000 0.198 195 N C 0.458 175.910 175.510 -0.098 0.000 1.117 195 N CA 0.656 53.653 53.050 -0.088 0.000 0.845 195 N CB 0.364 38.814 38.487 -0.062 0.000 0.980 195 N HN 0.519 nan 8.380 nan 0.000 0.486 196 A N 1.063 123.823 122.820 -0.099 0.000 2.425 196 A HA 0.126 4.448 4.320 0.003 0.000 0.242 196 A C 0.593 178.094 177.584 -0.139 0.000 1.077 196 A CA -0.058 51.921 52.037 -0.097 0.000 0.781 196 A CB 0.529 19.481 19.000 -0.080 0.000 1.020 196 A HN -0.060 nan 8.150 nan 0.000 0.494 197 K N 0.466 120.793 120.400 -0.122 0.000 2.379 197 K HA 0.376 4.698 4.320 0.003 0.000 0.284 197 K C 1.031 177.545 176.600 -0.143 0.000 1.044 197 K CA 1.104 57.305 56.287 -0.143 0.000 0.974 197 K CB 0.566 33.007 32.500 -0.099 0.000 0.962 197 K HN 1.511 nan 8.250 nan 0.000 0.474 198 G N 1.051 109.723 108.800 -0.213 0.000 2.229 198 G HA2 -0.207 3.755 3.960 0.003 0.000 0.189 198 G HA3 -0.207 3.755 3.960 0.003 0.000 0.189 198 G C -0.247 174.513 174.900 -0.234 0.000 1.000 198 G CA -0.366 44.765 45.100 0.051 0.000 0.663 198 G HN 0.367 nan 8.290 nan 0.000 0.493 199 V N 1.872 121.478 119.914 -0.513 0.000 2.383 199 V HA 0.785 4.907 4.120 0.003 0.000 0.275 199 V C -0.141 175.557 176.094 -0.660 0.000 1.036 199 V CA -0.260 61.784 62.300 -0.426 0.000 0.889 199 V CB 0.682 32.343 31.823 -0.270 0.000 0.985 199 V HN 0.223 nan 8.190 nan 0.000 0.459 200 F N 2.650 122.485 119.950 -0.193 0.000 2.620 200 F HA 0.725 5.254 4.527 0.003 0.000 0.320 200 F C -0.055 175.526 175.800 -0.366 0.000 1.069 200 F CA -0.938 56.974 58.000 -0.147 0.000 0.953 200 F CB 2.034 41.047 39.000 0.022 0.000 1.322 200 F HN 0.635 nan 8.300 nan 0.000 0.479 201 D N -2.502 117.829 120.400 -0.115 0.000 2.614 201 D HA 0.178 4.820 4.640 0.003 0.000 0.264 201 D C 0.780 176.988 176.300 -0.153 0.000 1.092 201 D CA -0.553 53.165 54.000 -0.470 0.000 1.071 201 D CB 0.218 40.840 40.800 -0.298 0.000 1.443 201 D HN 0.605 nan 8.370 nan 0.000 0.528 202 H N -0.711 118.296 119.070 -0.105 0.000 2.387 202 H HA -0.114 4.444 4.556 0.003 0.000 0.299 202 H C 1.404 176.877 175.328 0.242 0.000 1.099 202 H CA 1.818 57.974 56.048 0.180 0.000 1.315 202 H CB -0.576 29.235 29.762 0.081 0.000 1.380 202 H HN 0.441 nan 8.280 nan 0.000 0.513 203 A N 1.396 123.891 122.820 -0.542 0.000 1.872 203 A HA -0.131 4.191 4.320 0.003 0.000 0.214 203 A C 2.728 180.370 177.584 0.097 0.000 1.187 203 A CA 2.339 54.274 52.037 -0.169 0.000 0.614 203 A CB -1.063 17.798 19.000 -0.230 0.000 0.826 203 A HN 0.682 nan 8.150 nan 0.000 0.442 204 T N -2.055 112.571 114.554 0.120 0.000 3.023 204 T HA -0.023 4.329 4.350 0.003 0.000 0.266 204 T C 1.700 176.642 174.700 0.404 0.000 1.093 204 T CA 1.155 63.418 62.100 0.272 0.000 1.129 204 T CB -0.350 68.680 68.868 0.271 0.000 0.899 204 T HN 0.165 nan 8.240 nan 0.000 0.491 205 L N 2.643 124.083 121.223 0.362 0.000 2.079 205 L HA 0.049 4.391 4.340 0.003 0.000 0.210 205 L C 2.310 179.292 176.870 0.187 0.000 1.081 205 L CA 1.620 56.581 54.840 0.202 0.000 0.752 205 L CB -0.487 41.811 42.059 0.399 0.000 0.896 205 L HN 0.381 nan 8.230 nan 0.000 0.433 206 V N -4.193 115.883 119.914 0.270 0.000 3.577 206 V HA 0.210 4.332 4.120 0.003 0.000 0.294 206 V C 1.309 177.534 176.094 0.219 0.000 1.317 206 V CA 0.555 63.026 62.300 0.284 0.000 1.169 206 V CB -0.475 31.577 31.823 0.382 0.000 1.011 206 V HN 0.427 nan 8.190 nan 0.000 0.426 207 E N 0.744 121.076 120.200 0.221 0.000 2.444 207 E HA 0.178 4.530 4.350 0.003 0.000 0.209 207 E C 0.966 177.702 176.600 0.226 0.000 0.806 207 E CA 0.444 56.971 56.400 0.213 0.000 1.240 207 E CB 0.643 30.482 29.700 0.232 0.000 1.238 207 E HN 0.777 nan 8.360 nan 0.000 0.591 208 E N 0.838 121.214 120.200 0.294 0.000 2.693 208 E HA 0.134 4.486 4.350 0.003 0.000 0.214 208 E C -0.230 176.629 176.600 0.433 0.000 0.990 208 E CA -0.190 56.426 56.400 0.361 0.000 1.047 208 E CB 0.733 30.678 29.700 0.410 0.000 1.039 208 E HN -0.128 nan 8.360 nan 0.000 0.475 209 L N 3.072 124.421 121.223 0.209 0.000 2.401 209 L HA 0.116 4.458 4.340 0.003 0.000 0.283 209 L C 0.137 177.078 176.870 0.119 0.000 1.151 209 L CA 0.131 55.002 54.840 0.052 0.000 0.942 209 L CB 0.112 42.030 42.059 -0.236 0.000 1.283 209 L HN -0.018 nan 8.230 nan 0.000 0.442 210 D N 2.636 123.204 120.400 0.280 0.000 2.368 210 D HA 0.079 4.721 4.640 0.003 0.000 0.218 210 D C -0.242 176.230 176.300 0.287 0.000 1.112 210 D CA -0.030 54.114 54.000 0.240 0.000 0.834 210 D CB -0.374 40.569 40.800 0.239 0.000 0.953 210 D HN 0.460 nan 8.370 nan 0.000 0.505 211 Y N -2.286 118.067 120.300 0.089 0.000 2.655 211 Y HA 0.695 5.247 4.550 0.003 0.000 0.336 211 Y C -1.123 174.776 175.900 0.000 0.000 1.154 211 Y CA -1.774 56.360 58.100 0.055 0.000 1.055 211 Y CB 0.970 39.480 38.460 0.083 0.000 1.295 211 Y HN -0.235 nan 8.280 nan 0.000 0.465 212 E N 2.944 123.102 120.200 -0.071 0.000 2.146 212 E HA 0.503 4.855 4.350 0.003 0.000 0.282 212 E C -2.750 173.734 176.600 -0.193 0.000 0.989 212 E CA -2.588 53.679 56.400 -0.221 0.000 0.799 212 E CB 1.035 30.680 29.700 -0.091 0.000 1.088 212 E HN 0.465 nan 8.360 nan 0.000 0.397 213 P HA 0.116 nan 4.420 nan 0.000 0.268 213 P C 0.071 177.307 177.300 -0.108 0.000 1.208 213 P CA 0.050 62.965 63.100 -0.309 0.000 0.777 213 P CB 0.780 31.951 31.700 -0.882 0.000 0.875 214 G N 0.337 109.153 108.800 0.026 0.000 2.486 214 G HA2 0.131 4.093 3.960 0.003 0.000 0.272 214 G HA3 0.131 4.093 3.960 0.003 0.000 0.272 214 G C 1.095 175.979 174.900 -0.027 0.000 1.426 214 G CA 0.189 45.302 45.100 0.021 0.000 1.058 214 G HN 0.510 nan 8.290 nan 0.000 0.531 215 S N -2.093 113.602 115.700 -0.007 0.000 2.522 215 S HA 0.123 4.595 4.470 0.003 0.000 0.227 215 S C 0.825 175.421 174.600 -0.006 0.000 0.986 215 S CA 0.769 58.958 58.200 -0.017 0.000 0.929 215 S CB 0.015 63.211 63.200 -0.008 0.000 0.769 215 S HN 0.412 nan 8.310 nan 0.000 0.529 216 T N 1.701 116.266 114.554 0.018 0.000 2.863 216 T HA 0.677 5.029 4.350 0.003 0.000 0.285 216 T C -1.064 173.678 174.700 0.070 0.000 1.009 216 T CA -0.546 61.577 62.100 0.038 0.000 0.989 216 T CB 2.018 70.913 68.868 0.044 0.000 1.004 216 T HN 0.033 nan 8.240 nan 0.000 0.455 217 V N 2.868 122.831 119.914 0.081 0.000 2.709 217 V HA 0.551 4.672 4.120 0.003 0.000 0.308 217 V C -0.606 175.560 176.094 0.121 0.000 1.062 217 V CA -0.771 61.606 62.300 0.129 0.000 0.901 217 V CB 2.170 34.044 31.823 0.087 0.000 1.003 217 V HN 0.703 nan 8.190 nan 0.000 0.425 218 V N 5.232 125.211 119.914 0.107 0.000 2.384 218 V HA 0.503 4.625 4.120 0.003 0.000 0.287 218 V C -0.281 175.888 176.094 0.125 0.000 1.020 218 V CA -0.527 61.830 62.300 0.095 0.000 0.850 218 V CB 1.919 33.776 31.823 0.058 0.000 0.987 218 V HN 0.610 nan 8.190 nan 0.000 0.436 219 V N 5.849 125.868 119.914 0.174 0.000 2.459 219 V HA 0.479 4.600 4.120 0.003 0.000 0.295 219 V C -0.204 175.986 176.094 0.160 0.000 1.029 219 V CA -0.587 61.863 62.300 0.250 0.000 0.874 219 V CB 2.084 34.100 31.823 0.322 0.000 0.985 219 V HN 0.598 nan 8.190 nan 0.000 0.438 220 V N 4.140 124.134 119.914 0.133 0.000 2.347 220 V HA 0.960 5.082 4.120 0.003 0.000 0.280 220 V C 0.500 176.635 176.094 0.069 0.000 1.021 220 V CA 0.371 62.712 62.300 0.068 0.000 0.847 220 V CB 0.698 32.530 31.823 0.016 0.000 0.990 220 V HN 1.288 nan 8.190 nan 0.000 0.444 221 G N 3.479 112.317 108.800 0.063 0.000 2.375 221 G HA2 0.373 4.335 3.960 0.003 0.000 0.663 221 G HA3 0.373 4.335 3.960 0.003 0.000 0.663 221 G C 0.053 174.991 174.900 0.063 0.000 1.391 221 G CA -0.263 44.869 45.100 0.054 0.000 0.949 221 G HN 1.101 nan 8.290 nan 0.000 0.646 222 G N -0.479 108.348 108.800 0.045 0.000 3.735 222 G HA2 0.612 4.574 3.960 0.003 0.000 0.283 222 G HA3 0.612 4.574 3.960 0.003 0.000 0.283 222 G C 0.929 175.851 174.900 0.036 0.000 1.007 222 G CA 1.411 46.535 45.100 0.041 0.000 0.821 222 G HN 1.781 nan 8.290 nan 0.000 0.505 223 S N -0.071 115.652 115.700 0.038 0.000 2.634 223 S HA 0.261 4.733 4.470 0.003 0.000 0.254 223 S C 1.339 175.954 174.600 0.026 0.000 1.299 223 S CA -0.121 58.095 58.200 0.026 0.000 0.974 223 S CB 1.265 64.476 63.200 0.018 0.000 1.001 223 S HN 0.146 nan 8.310 nan 0.000 0.584 224 K N 0.099 120.500 120.400 0.001 0.000 2.025 224 K HA -0.067 4.255 4.320 0.003 0.000 0.207 224 K C 2.451 179.034 176.600 -0.028 0.000 1.049 224 K CA 1.702 57.974 56.287 -0.024 0.000 0.933 224 K CB -0.921 31.529 32.500 -0.082 0.000 0.714 224 K HN 0.653 nan 8.250 nan 0.000 0.438 225 T N 1.302 115.840 114.554 -0.027 0.000 2.684 225 T HA -0.200 4.152 4.350 0.003 0.000 0.267 225 T C 1.993 176.780 174.700 0.146 0.000 1.036 225 T CA 1.569 63.685 62.100 0.026 0.000 1.148 225 T CB -0.311 68.543 68.868 -0.024 0.000 0.863 225 T HN 0.351 nan 8.240 nan 0.000 0.436 226 A N 0.772 123.682 122.820 0.150 0.000 1.902 226 A HA -0.048 4.274 4.320 0.003 0.000 0.217 226 A C 2.598 180.264 177.584 0.138 0.000 1.181 226 A CA 1.441 53.605 52.037 0.211 0.000 0.623 226 A CB -0.938 18.164 19.000 0.170 0.000 0.818 226 A HN 0.370 nan 8.150 nan 0.000 0.443 227 V N -0.084 119.881 119.914 0.084 0.000 2.358 227 V HA -0.240 3.882 4.120 0.003 0.000 0.246 227 V C 2.396 178.499 176.094 0.014 0.000 1.047 227 V CA 2.240 64.570 62.300 0.051 0.000 1.035 227 V CB -0.871 30.979 31.823 0.046 0.000 0.658 227 V HN 0.638 nan 8.190 nan 0.000 0.452 228 E N -0.782 119.430 120.200 0.019 0.000 2.031 228 E HA -0.227 4.125 4.350 0.003 0.000 0.193 228 E C 2.144 178.667 176.600 -0.129 0.000 0.994 228 E CA 1.888 58.272 56.400 -0.026 0.000 0.800 228 E CB -0.291 29.346 29.700 -0.104 0.000 0.752 228 E HN 0.706 nan 8.360 nan 0.000 0.447 229 Y N 0.216 120.323 120.300 -0.322 0.000 2.242 229 Y HA -0.118 4.434 4.550 0.003 0.000 0.291 229 Y C 2.541 177.967 175.900 -0.791 0.000 1.137 229 Y CA 0.787 58.473 58.100 -0.689 0.000 1.181 229 Y CB -0.357 37.480 38.460 -1.038 0.000 0.989 229 Y HN 0.123 nan 8.280 nan 0.000 0.527 230 G N -1.010 107.692 108.800 -0.163 0.000 2.418 230 G HA2 -0.259 3.702 3.960 0.003 0.000 0.217 230 G HA3 -0.259 3.702 3.960 0.003 0.000 0.217 230 G C 1.620 176.487 174.900 -0.055 0.000 1.158 230 G CA 1.259 46.371 45.100 0.019 0.000 0.771 230 G HN 0.446 nan 8.290 nan 0.000 0.545 231 C N -0.133 119.073 119.300 -0.157 0.000 2.435 231 C HA 0.060 4.522 4.460 0.003 0.000 0.279 231 C C 2.393 177.245 174.990 -0.230 0.000 1.321 231 C CA 0.533 59.353 59.018 -0.330 0.000 1.752 231 C CB -1.143 26.218 27.740 -0.632 0.000 1.959 231 C HN 0.477 nan 8.230 nan 0.000 0.500 232 F N 1.355 121.076 119.950 -0.381 0.000 2.113 232 F HA -0.050 4.479 4.527 0.003 0.000 0.297 232 F C 1.884 177.561 175.800 -0.205 0.000 1.103 232 F CA 1.508 59.297 58.000 -0.352 0.000 1.248 232 F CB -0.796 37.850 39.000 -0.591 0.000 0.999 232 F HN 0.152 nan 8.300 nan 0.000 0.475 233 F N 1.013 120.735 119.950 -0.379 0.000 2.126 233 F HA -0.191 4.337 4.527 0.003 0.000 0.299 233 F C 2.447 178.077 175.800 -0.284 0.000 1.096 233 F CA 1.572 59.316 58.000 -0.427 0.000 1.255 233 F CB -1.900 37.022 39.000 -0.131 0.000 0.997 233 F HN 0.193 nan 8.300 nan 0.000 0.479 234 N N 0.481 119.211 118.700 0.050 0.000 2.166 234 N HA -0.141 4.601 4.740 0.003 0.000 0.186 234 N C 1.811 177.338 175.510 0.029 0.000 1.019 234 N CA 1.354 54.444 53.050 0.065 0.000 0.856 234 N CB -0.285 38.289 38.487 0.145 0.000 0.993 234 N HN 0.130 nan 8.380 nan 0.000 0.426 235 A N -0.383 122.461 122.820 0.041 0.000 2.019 235 A HA -0.118 4.204 4.320 0.003 0.000 0.219 235 A C 2.181 179.710 177.584 -0.092 0.000 1.164 235 A CA 1.911 53.968 52.037 0.033 0.000 0.644 235 A CB -1.390 17.678 19.000 0.114 0.000 0.805 235 A HN 0.630 nan 8.150 nan 0.000 0.449 236 T N -4.200 110.218 114.554 -0.228 0.000 3.113 236 T HA 0.341 4.693 4.350 0.003 0.000 0.263 236 T C 1.338 175.959 174.700 -0.133 0.000 1.143 236 T CA 1.209 63.170 62.100 -0.232 0.000 1.090 236 T CB -0.148 68.490 68.868 -0.383 0.000 0.922 236 T HN 1.688 nan 8.240 nan 0.000 0.521 237 G N 1.032 109.775 108.800 -0.094 0.000 2.148 237 G HA2 -0.174 3.788 3.960 0.003 0.000 0.203 237 G HA3 -0.174 3.788 3.960 0.003 0.000 0.203 237 G C -0.021 174.846 174.900 -0.055 0.000 0.993 237 G CA -0.450 44.612 45.100 -0.064 0.000 0.661 237 G HN 0.670 nan 8.290 nan 0.000 0.518 238 R N -0.033 120.433 120.500 -0.056 0.000 2.540 238 R HA 0.555 4.897 4.340 0.003 0.000 0.287 238 R C 0.635 176.935 176.300 0.000 0.000 0.980 238 R CA -0.926 55.151 56.100 -0.038 0.000 0.966 238 R CB 1.197 31.457 30.300 -0.067 0.000 1.106 238 R HN 0.215 nan 8.270 nan 0.000 0.480 239 R N 1.591 122.095 120.500 0.007 0.000 2.421 239 R HA 0.033 4.375 4.340 0.003 0.000 0.305 239 R C -0.996 175.334 176.300 0.049 0.000 1.039 239 R CA 0.615 56.729 56.100 0.024 0.000 1.003 239 R CB 0.417 30.729 30.300 0.020 0.000 0.959 239 R HN 0.500 nan 8.270 nan 0.000 0.427 240 T N 4.493 119.088 114.554 0.068 0.000 2.791 240 T HA 0.301 4.653 4.350 0.003 0.000 0.288 240 T C -0.745 174.011 174.700 0.093 0.000 0.999 240 T CA -0.565 61.598 62.100 0.104 0.000 0.952 240 T CB 1.587 70.540 68.868 0.142 0.000 0.938 240 T HN 0.302 nan 8.240 nan 0.000 0.444 241 V N 5.153 125.124 119.914 0.095 0.000 2.384 241 V HA 0.474 4.596 4.120 0.003 0.000 0.287 241 V C -0.118 176.032 176.094 0.093 0.000 1.020 241 V CA -0.740 61.607 62.300 0.078 0.000 0.850 241 V CB 1.411 33.270 31.823 0.060 0.000 0.987 241 V HN 0.870 nan 8.190 nan 0.000 0.436 242 M N 5.968 125.618 119.600 0.084 0.000 2.205 242 M HA 0.540 5.021 4.480 0.003 0.000 0.344 242 M C -0.996 175.342 176.300 0.064 0.000 1.085 242 M CA -0.341 55.013 55.300 0.090 0.000 1.001 242 M CB 1.576 34.229 32.600 0.090 0.000 1.626 242 M HN 0.422 nan 8.290 nan 0.000 0.442 243 L N 4.640 125.900 121.223 0.061 0.000 2.264 243 L HA 0.489 4.830 4.340 0.003 0.000 0.287 243 L C -0.733 176.159 176.870 0.037 0.000 1.039 243 L CA -0.808 54.056 54.840 0.041 0.000 0.829 243 L CB 0.782 42.861 42.059 0.034 0.000 1.211 243 L HN 0.394 nan 8.230 nan 0.000 0.427 244 V N 3.820 123.751 119.914 0.030 0.000 2.427 244 V HA 0.278 4.399 4.120 0.003 0.000 0.286 244 V C 1.214 177.317 176.094 0.015 0.000 1.034 244 V CA -0.494 61.821 62.300 0.024 0.000 0.893 244 V CB 1.787 33.623 31.823 0.022 0.000 0.982 244 V HN 0.754 nan 8.190 nan 0.000 0.452 245 R N 2.119 122.626 120.500 0.012 0.000 2.073 245 R HA -0.113 4.229 4.340 0.003 0.000 0.234 245 R C 1.613 177.915 176.300 0.004 0.000 1.134 245 R CA 2.212 58.316 56.100 0.006 0.000 0.952 245 R CB 0.101 30.403 30.300 0.004 0.000 0.850 245 R HN 0.977 nan 8.270 nan 0.000 0.433 246 T N -2.154 112.402 114.554 0.003 0.000 2.281 246 T HA 0.248 4.600 4.350 0.003 0.000 0.180 246 T C 0.085 174.784 174.700 -0.001 0.000 0.683 246 T CA -0.682 61.418 62.100 -0.000 0.000 1.735 246 T CB 0.266 69.133 68.868 -0.002 0.000 3.036 246 T HN -0.103 nan 8.240 nan 0.000 0.399 247 E N 2.314 122.511 120.200 -0.004 0.000 2.256 247 E HA 0.500 4.851 4.350 0.003 0.000 0.267 247 E C -2.650 173.946 176.600 -0.006 0.000 0.892 247 E CA -2.453 53.943 56.400 -0.007 0.000 0.775 247 E CB 1.933 31.625 29.700 -0.014 0.000 1.207 247 E HN 0.432 nan 8.360 nan 0.000 0.420 248 P HA 0.229 nan 4.420 nan 0.000 0.279 248 P C 0.160 177.451 177.300 -0.014 0.000 1.239 248 P CA -0.288 62.812 63.100 -0.001 0.000 0.789 248 P CB 0.858 32.562 31.700 0.007 0.000 0.933 249 L N 0.266 121.482 121.223 -0.011 0.000 3.678 249 L HA -0.254 4.088 4.340 0.003 0.000 0.425 249 L C 1.297 178.128 176.870 -0.066 0.000 1.240 249 L CA 0.449 55.271 54.840 -0.031 0.000 0.876 249 L CB -1.667 40.374 42.059 -0.030 0.000 1.766 249 L HN 0.507 nan 8.230 nan 0.000 0.917 250 K N -0.292 120.079 120.400 -0.049 0.000 2.360 250 K HA -0.111 4.210 4.320 0.003 0.000 0.201 250 K C 1.808 178.355 176.600 -0.088 0.000 1.046 250 K CA 0.791 57.043 56.287 -0.058 0.000 0.945 250 K CB 0.032 32.513 32.500 -0.031 0.000 0.750 250 K HN 0.244 nan 8.250 nan 0.000 0.464 251 L N 1.233 122.399 121.223 -0.095 0.000 2.265 251 L HA -0.042 4.300 4.340 0.003 0.000 0.215 251 L C 0.619 177.238 176.870 -0.418 0.000 1.117 251 L CA 1.321 56.082 54.840 -0.132 0.000 0.782 251 L CB -0.067 41.981 42.059 -0.017 0.000 0.914 251 L HN 0.095 nan 8.230 nan 0.000 0.441 252 I N -0.010 120.290 120.570 -0.450 0.000 2.269 252 I HA 0.007 4.179 4.170 0.003 0.000 0.293 252 I C 1.145 177.085 176.117 -0.296 0.000 1.106 252 I CA -0.228 60.724 61.300 -0.580 0.000 1.248 252 I CB 0.405 38.172 38.000 -0.387 0.000 1.444 252 I HN 0.010 nan 8.210 nan 0.000 0.497 253 K N 2.557 122.817 120.400 -0.232 0.000 2.097 253 K HA -0.146 4.176 4.320 0.003 0.000 0.206 253 K C 0.496 177.013 176.600 -0.138 0.000 1.049 253 K CA 0.933 57.148 56.287 -0.121 0.000 0.933 253 K CB -0.133 32.344 32.500 -0.038 0.000 0.717 253 K HN 0.493 nan 8.250 nan 0.000 0.442 254 D N 0.227 120.490 120.400 -0.228 0.000 2.382 254 D HA 0.015 4.657 4.640 0.003 0.000 0.259 254 D C 0.285 176.479 176.300 -0.176 0.000 1.224 254 D CA 0.254 54.081 54.000 -0.288 0.000 0.894 254 D CB 0.406 40.821 40.800 -0.642 0.000 1.127 254 D HN 0.120 nan 8.370 nan 0.000 0.487 255 N N 2.772 121.398 118.700 -0.122 0.000 2.043 255 N HA -0.196 4.546 4.740 0.003 0.000 0.193 255 N C 1.119 176.561 175.510 -0.114 0.000 1.037 255 N CA 0.911 53.902 53.050 -0.098 0.000 0.851 255 N CB 0.079 38.525 38.487 -0.069 0.000 1.027 255 N HN 0.584 nan 8.380 nan 0.000 0.422 256 E N 0.079 120.214 120.200 -0.109 0.000 2.077 256 E HA -0.136 4.216 4.350 0.003 0.000 0.193 256 E C 1.890 178.269 176.600 -0.369 0.000 0.989 256 E CA 1.217 57.499 56.400 -0.197 0.000 0.800 256 E CB -0.034 29.621 29.700 -0.074 0.000 0.746 256 E HN 0.363 nan 8.360 nan 0.000 0.452 257 T N 0.656 115.102 114.554 -0.180 0.000 2.708 257 T HA -0.183 4.169 4.350 0.003 0.000 0.266 257 T C 1.862 176.508 174.700 -0.090 0.000 1.037 257 T CA 1.386 63.433 62.100 -0.088 0.000 1.146 257 T CB -0.177 68.751 68.868 0.099 0.000 0.865 257 T HN 0.122 nan 8.240 nan 0.000 0.435 258 R N 0.936 121.374 120.500 -0.103 0.000 2.081 258 R HA -0.030 4.312 4.340 0.003 0.000 0.235 258 R C 2.562 178.810 176.300 -0.087 0.000 1.131 258 R CA 1.424 57.471 56.100 -0.088 0.000 0.960 258 R CB -0.464 29.774 30.300 -0.103 0.000 0.856 258 R HN 0.364 nan 8.270 nan 0.000 0.436 259 A N -0.183 122.567 122.820 -0.115 0.000 1.902 259 A HA -0.218 4.104 4.320 0.003 0.000 0.217 259 A C 2.017 179.524 177.584 -0.129 0.000 1.181 259 A CA 1.358 53.326 52.037 -0.115 0.000 0.623 259 A CB -0.867 18.060 19.000 -0.122 0.000 0.818 259 A HN 0.618 nan 8.150 nan 0.000 0.443 260 Y N 0.570 120.687 120.300 -0.304 0.000 2.145 260 Y HA -0.181 4.371 4.550 0.003 0.000 0.286 260 Y C 2.374 178.166 175.900 -0.181 0.000 1.145 260 Y CA 1.960 59.876 58.100 -0.306 0.000 1.148 260 Y CB -0.316 37.832 38.460 -0.520 0.000 0.981 260 Y HN 0.070 nan 8.280 nan 0.000 0.507 261 V N 0.467 120.344 119.914 -0.063 0.000 2.295 261 V HA -0.340 3.782 4.120 0.003 0.000 0.246 261 V C 2.439 178.492 176.094 -0.068 0.000 1.049 261 V CA 2.161 64.433 62.300 -0.046 0.000 1.024 261 V CB -0.821 31.026 31.823 0.039 0.000 0.648 261 V HN 0.439 nan 8.190 nan 0.000 0.447 262 L N -0.341 120.842 121.223 -0.068 0.000 2.056 262 L HA -0.169 4.173 4.340 0.003 0.000 0.207 262 L C 2.377 179.200 176.870 -0.078 0.000 1.078 262 L CA 1.498 56.308 54.840 -0.051 0.000 0.749 262 L CB -0.757 41.273 42.059 -0.047 0.000 0.901 262 L HN 0.321 nan 8.230 nan 0.000 0.433 263 D N -0.087 120.229 120.400 -0.139 0.000 2.123 263 D HA -0.182 4.460 4.640 0.003 0.000 0.196 263 D C 2.334 178.540 176.300 -0.158 0.000 0.992 263 D CA 1.082 54.991 54.000 -0.153 0.000 0.833 263 D CB -0.064 40.618 40.800 -0.197 0.000 0.954 263 D HN 0.018 nan 8.370 nan 0.000 0.455 264 R N -0.245 120.115 120.500 -0.235 0.000 2.115 264 R HA 0.101 4.443 4.340 0.003 0.000 0.230 264 R C 2.327 178.620 176.300 -0.012 0.000 1.111 264 R CA 0.716 56.727 56.100 -0.148 0.000 0.976 264 R CB -0.262 29.938 30.300 -0.167 0.000 0.870 264 R HN 0.236 nan 8.270 nan 0.000 0.445 265 M N -0.168 119.452 119.600 0.033 0.000 2.132 265 M HA -0.156 4.326 4.480 0.003 0.000 0.263 265 M C 1.786 178.116 176.300 0.049 0.000 1.065 265 M CA 1.726 57.090 55.300 0.107 0.000 1.122 265 M CB -0.134 32.526 32.600 0.099 0.000 1.365 265 M HN -0.016 nan 8.290 nan 0.000 0.411 266 K N 0.017 120.419 120.400 0.004 0.000 2.097 266 K HA -0.196 4.126 4.320 0.003 0.000 0.205 266 K C 1.834 178.420 176.600 -0.023 0.000 1.050 266 K CA 1.300 57.583 56.287 -0.008 0.000 0.938 266 K CB -0.258 32.228 32.500 -0.023 0.000 0.718 266 K HN 0.388 nan 8.250 nan 0.000 0.442 267 E N 0.959 121.134 120.200 -0.040 0.000 2.204 267 E HA -0.192 4.160 4.350 0.003 0.000 0.195 267 E C 1.596 178.157 176.600 -0.066 0.000 0.990 267 E CA 0.877 57.247 56.400 -0.049 0.000 0.821 267 E CB 0.260 29.934 29.700 -0.042 0.000 0.750 267 E HN 0.165 nan 8.360 nan 0.000 0.477 268 Q N -0.833 118.920 119.800 -0.079 0.000 2.444 268 Q HA 0.057 4.399 4.340 0.003 0.000 0.206 268 Q C 1.100 177.067 176.000 -0.055 0.000 0.948 268 Q CA 0.919 56.646 55.803 -0.127 0.000 0.946 268 Q CB 1.084 29.662 28.738 -0.266 0.000 1.027 268 Q HN 0.485 nan 8.270 nan 0.000 0.513 269 G N 0.328 109.114 108.800 -0.022 0.000 2.159 269 G HA2 -0.240 3.722 3.960 0.003 0.000 0.227 269 G HA3 -0.240 3.722 3.960 0.003 0.000 0.227 269 G C 0.167 175.080 174.900 0.023 0.000 0.986 269 G CA -0.021 45.076 45.100 -0.005 0.000 0.651 269 G HN 0.235 nan 8.290 nan 0.000 0.523 270 M N 0.948 120.575 119.600 0.045 0.000 2.233 270 M HA 0.386 4.868 4.480 0.003 0.000 0.350 270 M C 0.190 176.515 176.300 0.042 0.000 1.176 270 M CA 0.442 55.780 55.300 0.063 0.000 1.150 270 M CB 0.644 33.300 32.600 0.094 0.000 1.530 270 M HN 0.212 nan 8.290 nan 0.000 0.459 271 E N 3.936 124.163 120.200 0.045 0.000 2.129 271 E HA 0.468 4.820 4.350 0.003 0.000 0.268 271 E C -1.123 175.500 176.600 0.038 0.000 0.900 271 E CA -0.269 56.151 56.400 0.033 0.000 0.755 271 E CB 1.502 31.220 29.700 0.030 0.000 1.117 271 E HN 0.544 nan 8.360 nan 0.000 0.410 272 I N 4.699 125.286 120.570 0.028 0.000 2.355 272 I HA 0.330 4.502 4.170 0.003 0.000 0.288 272 I C -0.326 175.803 176.117 0.020 0.000 0.999 272 I CA -0.630 60.688 61.300 0.029 0.000 1.163 272 I CB 0.892 38.907 38.000 0.024 0.000 1.316 272 I HN 0.399 nan 8.210 nan 0.000 0.454 273 I N 6.091 126.674 120.570 0.023 0.000 2.359 273 I HA 0.226 4.398 4.170 0.003 0.000 0.284 273 I C 0.575 176.701 176.117 0.015 0.000 1.018 273 I CA -0.268 61.042 61.300 0.016 0.000 1.173 273 I CB 1.212 39.222 38.000 0.018 0.000 1.326 273 I HN 0.586 nan 8.210 nan 0.000 0.462 274 S N 3.674 119.379 115.700 0.008 0.000 2.669 274 S HA 0.606 5.078 4.470 0.003 0.000 0.270 274 S C 1.107 175.710 174.600 0.004 0.000 1.225 274 S CA 0.051 58.254 58.200 0.006 0.000 0.991 274 S CB 1.508 64.709 63.200 0.001 0.000 0.987 274 S HN 1.097 nan 8.310 nan 0.000 0.552 275 G N 0.609 109.410 108.800 0.003 0.000 2.283 275 G HA2 -0.203 3.759 3.960 0.003 0.000 0.280 275 G HA3 -0.203 3.759 3.960 0.003 0.000 0.280 275 G C 0.077 174.978 174.900 0.003 0.000 1.029 275 G CA 0.303 45.404 45.100 0.001 0.000 0.840 275 G HN 1.675 nan 8.290 nan 0.000 0.505 276 S N -0.626 115.077 115.700 0.006 0.000 2.501 276 S HA 0.770 5.241 4.470 0.003 0.000 0.301 276 S C -0.482 174.122 174.600 0.005 0.000 1.096 276 S CA -1.048 57.155 58.200 0.006 0.000 1.063 276 S CB 2.334 65.540 63.200 0.010 0.000 1.042 276 S HN 0.278 nan 8.310 nan 0.000 0.494 277 N N 1.410 120.112 118.700 0.003 0.000 2.410 277 N HA 0.302 5.044 4.740 0.003 0.000 0.287 277 N C -1.067 174.443 175.510 -0.001 0.000 1.044 277 N CA -0.468 52.582 53.050 0.000 0.000 0.881 277 N CB 2.120 40.606 38.487 -0.002 0.000 1.405 277 N HN 0.483 nan 8.380 nan 0.000 0.490 278 V N 1.822 121.734 119.914 -0.003 0.000 2.585 278 V HA 0.024 4.146 4.120 0.003 0.000 0.296 278 V C 1.717 177.805 176.094 -0.009 0.000 1.035 278 V CA 0.598 62.894 62.300 -0.006 0.000 1.084 278 V CB 0.761 32.578 31.823 -0.010 0.000 0.953 278 V HN 0.854 nan 8.190 nan 0.000 0.483 279 T N 2.014 116.563 114.554 -0.009 0.000 3.018 279 T HA 0.251 4.603 4.350 0.003 0.000 0.246 279 T C 0.615 175.308 174.700 -0.013 0.000 1.026 279 T CA -0.118 61.976 62.100 -0.010 0.000 1.081 279 T CB 0.386 69.250 68.868 -0.007 0.000 0.970 279 T HN 0.564 nan 8.240 nan 0.000 0.475 280 R N -0.075 120.417 120.500 -0.013 0.000 2.604 280 R HA 0.578 4.920 4.340 0.003 0.000 0.261 280 R C -2.180 174.109 176.300 -0.018 0.000 1.080 280 R CA -0.790 55.301 56.100 -0.016 0.000 0.917 280 R CB 1.500 31.792 30.300 -0.014 0.000 1.252 280 R HN 0.250 nan 8.270 nan 0.000 0.456 281 I N 3.296 123.851 120.570 -0.024 0.000 2.354 281 I HA 0.243 4.415 4.170 0.003 0.000 0.286 281 I C -0.074 176.028 176.117 -0.025 0.000 1.007 281 I CA -0.599 60.685 61.300 -0.027 0.000 1.167 281 I CB 1.824 39.800 38.000 -0.040 0.000 1.320 281 I HN 0.515 nan 8.210 nan 0.000 0.458 282 E N 6.237 126.426 120.200 -0.018 0.000 2.344 282 E HA 0.156 4.508 4.350 0.003 0.000 0.270 282 E C -0.589 175.998 176.600 -0.021 0.000 1.021 282 E CA -0.059 56.331 56.400 -0.017 0.000 0.887 282 E CB 0.963 30.657 29.700 -0.010 0.000 0.997 282 E HN 0.498 nan 8.360 nan 0.000 0.429 283 E N 2.605 122.791 120.200 -0.024 0.000 2.204 283 E HA 0.087 4.439 4.350 0.003 0.000 0.276 283 E C -0.724 175.862 176.600 -0.024 0.000 0.974 283 E CA -0.790 55.593 56.400 -0.028 0.000 0.815 283 E CB 1.144 30.825 29.700 -0.032 0.000 1.119 283 E HN 0.455 nan 8.360 nan 0.000 0.393 284 D N 0.913 121.297 120.400 -0.026 0.000 2.466 284 D HA 0.191 4.833 4.640 0.003 0.000 0.262 284 D C 0.751 177.037 176.300 -0.023 0.000 1.177 284 D CA -0.579 53.408 54.000 -0.022 0.000 1.035 284 D CB 0.494 41.280 40.800 -0.023 0.000 1.105 284 D HN 0.355 nan 8.370 nan 0.000 0.551 285 A N -0.223 122.585 122.820 -0.019 0.000 2.131 285 A HA -0.193 4.128 4.320 0.003 0.000 0.220 285 A C 1.327 178.899 177.584 -0.021 0.000 1.158 285 A CA 1.064 53.090 52.037 -0.017 0.000 0.665 285 A CB -0.745 18.247 19.000 -0.014 0.000 0.795 285 A HN 0.529 nan 8.150 nan 0.000 0.460 286 N N -0.899 117.785 118.700 -0.027 0.000 2.270 286 N HA 0.180 4.922 4.740 0.003 0.000 0.198 286 N C 1.046 176.533 175.510 -0.038 0.000 1.117 286 N CA 0.890 53.921 53.050 -0.031 0.000 0.845 286 N CB 0.430 38.895 38.487 -0.038 0.000 0.980 286 N HN 0.593 nan 8.380 nan 0.000 0.486 287 G N 1.186 109.963 108.800 -0.037 0.000 2.147 287 G HA2 -0.305 3.657 3.960 0.003 0.000 0.244 287 G HA3 -0.305 3.657 3.960 0.003 0.000 0.244 287 G C 0.190 175.056 174.900 -0.058 0.000 1.005 287 G CA 0.102 45.177 45.100 -0.042 0.000 0.713 287 G HN 0.329 nan 8.290 nan 0.000 0.515 288 R N -0.483 119.980 120.500 -0.062 0.000 2.540 288 R HA 0.654 4.996 4.340 0.003 0.000 0.287 288 R C 0.571 176.837 176.300 -0.056 0.000 0.980 288 R CA -0.564 55.487 56.100 -0.081 0.000 0.966 288 R CB 1.268 31.506 30.300 -0.104 0.000 1.106 288 R HN 0.189 nan 8.270 nan 0.000 0.480 289 V N 4.847 124.732 119.914 -0.049 0.000 2.673 289 V HA 0.006 4.128 4.120 0.003 0.000 0.303 289 V C 0.984 177.076 176.094 -0.003 0.000 1.046 289 V CA 0.660 62.947 62.300 -0.022 0.000 1.126 289 V CB 1.171 32.991 31.823 -0.004 0.000 0.934 289 V HN 0.931 nan 8.190 nan 0.000 0.487 290 Q N 3.757 123.556 119.800 -0.001 0.000 2.210 290 Q HA 0.649 4.991 4.340 0.003 0.000 0.252 290 Q C 0.199 176.207 176.000 0.014 0.000 0.811 290 Q CA 0.431 56.238 55.803 0.007 0.000 0.953 290 Q CB 1.202 29.939 28.738 -0.002 0.000 1.136 290 Q HN 0.805 nan 8.270 nan 0.000 0.491 291 A N 0.172 122.998 122.820 0.009 0.000 2.567 291 A HA 0.612 4.933 4.320 0.003 0.000 0.291 291 A C -1.698 175.889 177.584 0.005 0.000 1.048 291 A CA -0.560 51.484 52.037 0.012 0.000 0.661 291 A CB 1.574 20.579 19.000 0.008 0.000 1.288 291 A HN 0.058 nan 8.150 nan 0.000 0.424 292 V N 0.521 120.440 119.914 0.008 0.000 2.604 292 V HA 0.651 4.773 4.120 0.003 0.000 0.305 292 V C -0.570 175.526 176.094 0.004 0.000 1.043 292 V CA -0.603 61.699 62.300 0.003 0.000 0.888 292 V CB 1.704 33.531 31.823 0.007 0.000 0.995 292 V HN 0.827 nan 8.190 nan 0.000 0.429 293 V N 3.374 123.288 119.914 -0.001 0.000 2.495 293 V HA 0.940 5.062 4.120 0.003 0.000 0.298 293 V C 0.153 176.246 176.094 -0.001 0.000 1.031 293 V CA -0.263 62.037 62.300 -0.000 0.000 0.871 293 V CB 1.570 33.391 31.823 -0.003 0.000 0.988 293 V HN 1.090 nan 8.190 nan 0.000 0.432 294 A N 4.720 127.541 122.820 0.002 0.000 2.556 294 A HA 0.929 5.251 4.320 0.003 0.000 0.294 294 A C -1.040 176.545 177.584 0.001 0.000 1.091 294 A CA -0.751 51.287 52.037 0.002 0.000 0.704 294 A CB 1.868 20.871 19.000 0.005 0.000 1.300 294 A HN 0.778 nan 8.150 nan 0.000 0.406 295 M N 2.011 121.611 119.600 0.000 0.000 2.209 295 M HA 0.582 5.064 4.480 0.003 0.000 0.355 295 M C 0.258 176.559 176.300 0.001 0.000 1.171 295 M CA 0.147 55.447 55.300 -0.000 0.000 1.069 295 M CB 0.915 33.514 32.600 -0.002 0.000 1.622 295 M HN 1.013 nan 8.290 nan 0.000 0.459 296 T N 2.161 116.716 114.554 0.001 0.000 2.888 296 T HA 0.688 5.040 4.350 0.003 0.000 0.288 296 T C -2.395 172.305 174.700 0.000 0.000 1.063 296 T CA -1.639 60.462 62.100 0.002 0.000 1.010 296 T CB 1.253 70.123 68.868 0.003 0.000 1.214 296 T HN 0.467 nan 8.240 nan 0.000 0.533 297 P HA 0.003 nan 4.420 nan 0.000 0.218 297 P C 0.977 178.276 177.300 -0.002 0.000 1.148 297 P CA 0.826 63.925 63.100 -0.002 0.000 0.822 297 P CB 0.031 31.730 31.700 -0.003 0.000 0.784 298 N N -0.737 117.962 118.700 -0.001 0.000 2.314 298 N HA 0.160 4.902 4.740 0.003 0.000 0.200 298 N C 0.993 176.502 175.510 -0.001 0.000 1.135 298 N CA 0.914 53.962 53.050 -0.002 0.000 0.835 298 N CB 0.435 38.921 38.487 -0.002 0.000 0.989 298 N HN 0.129 nan 8.380 nan 0.000 0.478 299 G N 0.952 109.751 108.800 -0.001 0.000 2.483 299 G HA2 -0.186 3.775 3.960 0.003 0.000 0.521 299 G HA3 -0.186 3.775 3.960 0.003 0.000 0.521 299 G C -1.048 173.851 174.900 -0.000 0.000 1.278 299 G CA -0.826 44.273 45.100 -0.001 0.000 0.965 299 G HN 0.237 nan 8.290 nan 0.000 0.504 300 E N -0.158 120.041 120.200 -0.000 0.000 2.313 300 E HA 0.583 4.934 4.350 0.003 0.000 0.276 300 E C 0.716 177.316 176.600 0.001 0.000 1.031 300 E CA -0.296 56.104 56.400 0.000 0.000 0.857 300 E CB 0.405 30.105 29.700 -0.001 0.000 1.040 300 E HN 0.772 nan 8.360 nan 0.000 0.408 301 M N 2.705 122.307 119.600 0.003 0.000 2.619 301 M HA 0.562 5.044 4.480 0.003 0.000 0.297 301 M C -1.013 175.290 176.300 0.005 0.000 1.229 301 M CA -1.052 54.250 55.300 0.004 0.000 0.860 301 M CB 2.324 34.927 32.600 0.006 0.000 1.741 301 M HN 0.311 nan 8.290 nan 0.000 0.462 302 R N 1.905 122.409 120.500 0.006 0.000 2.532 302 R HA 0.750 5.092 4.340 0.003 0.000 0.297 302 R C -2.178 174.128 176.300 0.011 0.000 0.984 302 R CA -0.425 55.679 56.100 0.007 0.000 0.884 302 R CB 1.554 31.857 30.300 0.005 0.000 1.182 302 R HN 0.961 nan 8.270 nan 0.000 0.442 303 I N 3.850 124.429 120.570 0.014 0.000 2.382 303 I HA 0.239 4.411 4.170 0.003 0.000 0.286 303 I C -0.148 175.982 176.117 0.023 0.000 1.002 303 I CA -0.771 60.541 61.300 0.020 0.000 1.135 303 I CB 2.034 40.050 38.000 0.026 0.000 1.288 303 I HN 0.521 nan 8.210 nan 0.000 0.448 304 E N 4.312 124.526 120.200 0.022 0.000 2.344 304 E HA 0.382 4.734 4.350 0.003 0.000 0.270 304 E C -0.223 176.400 176.600 0.038 0.000 1.021 304 E CA 0.080 56.495 56.400 0.025 0.000 0.887 304 E CB 1.377 31.089 29.700 0.021 0.000 0.997 304 E HN 0.512 nan 8.360 nan 0.000 0.429 305 T N 0.981 115.564 114.554 0.047 0.000 2.831 305 T HA 0.095 4.447 4.350 0.003 0.000 0.333 305 T C -1.474 173.283 174.700 0.094 0.000 1.684 305 T CA -0.748 61.398 62.100 0.077 0.000 1.049 305 T CB 1.103 70.022 68.868 0.085 0.000 1.518 305 T HN 0.589 nan 8.240 nan 0.000 0.491 306 D N 1.261 121.755 120.400 0.155 0.000 2.513 306 D HA 0.242 4.884 4.640 0.003 0.000 0.222 306 D C -0.247 176.278 176.300 0.376 0.000 1.210 306 D CA -0.114 53.999 54.000 0.188 0.000 0.825 306 D CB 0.084 40.981 40.800 0.161 0.000 1.037 306 D HN 0.250 nan 8.370 nan 0.000 0.506 307 F N 0.968 121.002 119.950 0.140 0.000 2.585 307 F HA 0.500 5.029 4.527 0.003 0.000 0.319 307 F C -1.838 174.025 175.800 0.106 0.000 1.165 307 F CA -0.879 57.225 58.000 0.173 0.000 0.949 307 F CB 1.885 40.922 39.000 0.060 0.000 1.218 307 F HN -0.237 nan 8.300 nan 0.000 0.453 308 V N 6.930 126.635 119.914 -0.348 0.000 2.531 308 V HA 0.427 4.549 4.120 0.003 0.000 0.301 308 V C -1.250 174.650 176.094 -0.323 0.000 1.034 308 V CA -0.878 61.270 62.300 -0.253 0.000 0.865 308 V CB 1.874 33.626 31.823 -0.117 0.000 0.995 308 V HN 0.619 nan 8.190 nan 0.000 0.424 309 F N 5.662 125.433 119.950 -0.298 0.000 2.449 309 F HA 0.682 5.211 4.527 0.003 0.000 0.342 309 F C -0.548 175.245 175.800 -0.012 0.000 1.127 309 F CA -0.650 57.279 58.000 -0.119 0.000 0.975 309 F CB 1.204 40.269 39.000 0.109 0.000 1.146 309 F HN 0.328 nan 8.300 nan 0.000 0.444 310 L N 6.172 127.033 121.223 -0.604 0.000 2.265 310 L HA 0.458 4.800 4.340 0.003 0.000 0.288 310 L C 0.706 177.275 176.870 -0.502 0.000 1.058 310 L CA -0.555 54.052 54.840 -0.389 0.000 0.809 310 L CB 1.218 43.103 42.059 -0.289 0.000 1.179 310 L HN 0.917 nan 8.230 nan 0.000 0.429 311 G N 5.128 113.853 108.800 -0.126 0.000 4.873 311 G HA2 0.474 4.436 3.960 0.003 0.000 0.314 311 G HA3 0.474 4.436 3.960 0.003 0.000 0.314 311 G C -0.013 174.885 174.900 -0.004 0.000 1.426 311 G CA -0.323 44.777 45.100 0.001 0.000 1.136 311 G HN 0.349 nan 8.290 nan 0.000 0.589 312 L N 0.272 121.470 121.223 -0.042 0.000 2.469 312 L HA 0.639 4.981 4.340 0.003 0.000 0.253 312 L C 1.322 178.185 176.870 -0.011 0.000 1.143 312 L CA -0.990 53.837 54.840 -0.021 0.000 0.804 312 L CB 0.621 42.662 42.059 -0.031 0.000 1.214 312 L HN 0.255 nan 8.230 nan 0.000 0.476 313 G N -0.127 108.669 108.800 -0.007 0.000 2.527 313 G HA2 0.216 4.178 3.960 0.003 0.000 0.248 313 G HA3 0.216 4.178 3.960 0.003 0.000 0.248 313 G C -0.384 174.518 174.900 0.004 0.000 1.231 313 G CA -0.483 44.614 45.100 -0.005 0.000 0.838 313 G HN 0.605 nan 8.290 nan 0.000 0.570 314 E N -0.129 120.075 120.200 0.008 0.000 2.349 314 E HA 0.175 4.526 4.350 0.003 0.000 0.262 314 E C -0.010 176.601 176.600 0.018 0.000 1.088 314 E CA -0.082 56.337 56.400 0.030 0.000 0.899 314 E CB 1.137 30.862 29.700 0.042 0.000 1.044 314 E HN 0.655 nan 8.360 nan 0.000 0.420 315 Q N 0.709 120.522 119.800 0.022 0.000 2.330 315 Q HA 0.481 4.823 4.340 0.003 0.000 0.269 315 Q C -2.740 173.267 176.000 0.012 0.000 1.022 315 Q CA -2.487 53.323 55.803 0.011 0.000 0.796 315 Q CB 1.391 30.133 28.738 0.005 0.000 1.271 315 Q HN 0.043 nan 8.270 nan 0.000 0.450 316 P HA -0.101 nan 4.420 nan 0.000 0.261 316 P C -0.739 176.562 177.300 0.002 0.000 1.173 316 P CA 0.279 63.382 63.100 0.006 0.000 0.760 316 P CB 0.400 32.101 31.700 0.002 0.000 0.783 317 R N 2.141 122.642 120.500 0.001 0.000 3.701 317 R HA 0.093 4.435 4.340 0.003 0.000 0.210 317 R C 0.876 177.170 176.300 -0.010 0.000 1.598 317 R CA 0.122 56.217 56.100 -0.008 0.000 1.427 317 R CB -0.389 29.901 30.300 -0.017 0.000 1.339 317 R HN 0.540 nan 8.270 nan 0.000 0.720 318 S N -0.711 114.985 115.700 -0.008 0.000 2.497 318 S HA 0.063 4.535 4.470 0.003 0.000 0.218 318 S C 2.019 176.613 174.600 -0.010 0.000 1.023 318 S CA 0.190 58.385 58.200 -0.008 0.000 0.913 318 S CB 0.468 63.664 63.200 -0.006 0.000 0.800 318 S HN 0.431 nan 8.310 nan 0.000 0.505 319 A N 2.588 125.402 122.820 -0.010 0.000 1.873 319 A HA -0.271 4.050 4.320 0.003 0.000 0.219 319 A C 2.090 179.667 177.584 -0.011 0.000 1.269 319 A CA 2.259 54.290 52.037 -0.011 0.000 0.671 319 A CB -1.308 17.686 19.000 -0.011 0.000 0.842 319 A HN 0.578 nan 8.150 nan 0.000 0.460 320 E N -0.587 119.605 120.200 -0.013 0.000 2.058 320 E HA -0.155 4.197 4.350 0.003 0.000 0.194 320 E C 2.045 178.639 176.600 -0.010 0.000 0.997 320 E CA 1.416 57.809 56.400 -0.012 0.000 0.801 320 E CB -0.277 29.413 29.700 -0.016 0.000 0.746 320 E HN 0.619 nan 8.360 nan 0.000 0.450 321 L N 0.044 121.260 121.223 -0.012 0.000 2.083 321 L HA -0.177 4.165 4.340 0.003 0.000 0.209 321 L C 2.479 179.343 176.870 -0.010 0.000 1.083 321 L CA 0.972 55.806 54.840 -0.011 0.000 0.752 321 L CB -0.450 41.602 42.059 -0.011 0.000 0.899 321 L HN 0.183 nan 8.230 nan 0.000 0.433 322 A N -0.099 122.715 122.820 -0.009 0.000 1.972 322 A HA -0.244 4.078 4.320 0.003 0.000 0.219 322 A C 2.400 179.980 177.584 -0.007 0.000 1.169 322 A CA 1.914 53.946 52.037 -0.009 0.000 0.635 322 A CB -0.356 18.639 19.000 -0.009 0.000 0.810 322 A HN 0.345 nan 8.150 nan 0.000 0.446 323 K N -0.330 120.066 120.400 -0.006 0.000 2.021 323 K HA 0.025 4.346 4.320 0.003 0.000 0.205 323 K C 1.830 178.429 176.600 -0.002 0.000 1.047 323 K CA 1.209 57.493 56.287 -0.004 0.000 0.943 323 K CB -0.270 32.228 32.500 -0.004 0.000 0.725 323 K HN 0.458 nan 8.250 nan 0.000 0.439 324 I N 1.130 121.699 120.570 -0.002 0.000 2.179 324 I HA -0.291 3.881 4.170 0.003 0.000 0.242 324 I C 2.015 178.133 176.117 0.001 0.000 1.088 324 I CA 1.310 62.611 61.300 0.001 0.000 1.357 324 I CB -0.088 37.913 38.000 0.001 0.000 1.051 324 I HN 0.195 nan 8.210 nan 0.000 0.409 325 L N -0.163 121.058 121.223 -0.003 0.000 2.416 325 L HA 0.245 4.587 4.340 0.003 0.000 0.216 325 L C 1.202 178.068 176.870 -0.006 0.000 1.098 325 L CA 0.447 55.284 54.840 -0.005 0.000 0.840 325 L CB -0.129 41.922 42.059 -0.013 0.000 0.981 325 L HN 0.447 nan 8.230 nan 0.000 0.462 326 G N 1.535 110.331 108.800 -0.006 0.000 2.341 326 G HA2 -0.232 3.730 3.960 0.003 0.000 0.278 326 G HA3 -0.232 3.730 3.960 0.003 0.000 0.278 326 G C -0.219 174.675 174.900 -0.010 0.000 1.111 326 G CA -0.357 44.739 45.100 -0.006 0.000 0.982 326 G HN 0.151 nan 8.290 nan 0.000 0.502 327 L N 0.251 121.467 121.223 -0.012 0.000 2.350 327 L HA 0.424 4.766 4.340 0.003 0.000 0.275 327 L C 0.088 176.950 176.870 -0.013 0.000 1.099 327 L CA -1.020 53.810 54.840 -0.015 0.000 0.808 327 L CB 0.755 42.804 42.059 -0.016 0.000 1.149 327 L HN 0.039 nan 8.230 nan 0.000 0.442 328 D N 3.508 123.899 120.400 -0.015 0.000 2.348 328 D HA 0.420 5.062 4.640 0.003 0.000 0.253 328 D C -0.172 176.120 176.300 -0.012 0.000 1.161 328 D CA 0.147 54.140 54.000 -0.013 0.000 0.876 328 D CB 1.133 41.925 40.800 -0.013 0.000 1.160 328 D HN 0.226 nan 8.370 nan 0.000 0.459 329 L N 1.094 122.311 121.223 -0.010 0.000 2.334 329 L HA 0.626 4.968 4.340 0.003 0.000 0.270 329 L C 1.256 178.121 176.870 -0.009 0.000 1.018 329 L CA -1.014 53.821 54.840 -0.009 0.000 0.811 329 L CB 1.662 43.716 42.059 -0.008 0.000 1.271 329 L HN 0.320 nan 8.230 nan 0.000 0.443 330 G N 0.055 108.850 108.800 -0.009 0.000 2.535 330 G HA2 0.370 4.332 3.960 0.003 0.000 0.303 330 G HA3 0.370 4.332 3.960 0.003 0.000 0.303 330 G C -2.060 172.836 174.900 -0.007 0.000 1.237 330 G CA -0.996 44.099 45.100 -0.009 0.000 0.986 330 G HN 0.432 nan 8.290 nan 0.000 0.494 331 P HA -0.061 nan 4.420 nan 0.000 0.216 331 P C 1.118 178.414 177.300 -0.006 0.000 1.150 331 P CA 1.362 64.458 63.100 -0.006 0.000 0.843 331 P CB 0.219 31.916 31.700 -0.006 0.000 0.787 332 K N -1.744 118.652 120.400 -0.006 0.000 2.498 332 K HA 0.347 4.669 4.320 0.003 0.000 0.207 332 K C 0.877 177.474 176.600 -0.005 0.000 1.033 332 K CA 0.491 56.775 56.287 -0.005 0.000 1.138 332 K CB -0.045 32.453 32.500 -0.004 0.000 0.860 332 K HN 0.104 nan 8.250 nan 0.000 0.490 333 G N 2.478 111.275 108.800 -0.006 0.000 2.179 333 G HA2 -0.279 3.683 3.960 0.003 0.000 0.260 333 G HA3 -0.279 3.683 3.960 0.003 0.000 0.260 333 G C -0.052 174.845 174.900 -0.005 0.000 0.977 333 G CA 0.329 45.426 45.100 -0.005 0.000 0.641 333 G HN 0.497 nan 8.290 nan 0.000 0.533 334 E N 1.049 121.246 120.200 -0.005 0.000 2.373 334 E HA 0.405 4.756 4.350 0.003 0.000 0.267 334 E C 0.218 176.814 176.600 -0.006 0.000 1.032 334 E CA -0.513 55.884 56.400 -0.005 0.000 0.889 334 E CB 1.755 31.451 29.700 -0.007 0.000 0.984 334 E HN 0.285 nan 8.360 nan 0.000 0.425 335 V N 4.323 124.235 119.914 -0.003 0.000 2.521 335 V HA 0.039 4.161 4.120 0.003 0.000 0.286 335 V C 0.744 176.834 176.094 -0.007 0.000 1.034 335 V CA -0.255 62.042 62.300 -0.005 0.000 1.045 335 V CB 0.199 32.021 31.823 -0.001 0.000 0.974 335 V HN 0.521 nan 8.190 nan 0.000 0.480 336 L N 6.570 127.786 121.223 -0.011 0.000 2.380 336 L HA 0.571 4.913 4.340 0.003 0.000 0.273 336 L C -0.038 176.822 176.870 -0.017 0.000 1.138 336 L CA -0.105 54.727 54.840 -0.015 0.000 0.832 336 L CB 1.098 43.147 42.059 -0.016 0.000 1.124 336 L HN 0.632 nan 8.230 nan 0.000 0.454 337 V N -0.596 119.308 119.914 -0.017 0.000 3.114 337 V HA 0.584 4.706 4.120 0.003 0.000 0.308 337 V C -0.605 175.474 176.094 -0.025 0.000 1.168 337 V CA -1.124 61.166 62.300 -0.016 0.000 1.015 337 V CB 1.882 33.711 31.823 0.009 0.000 1.050 337 V HN 0.832 nan 8.190 nan 0.000 0.433 338 N N 0.959 119.646 118.700 -0.023 0.000 2.431 338 N HA 0.225 4.967 4.740 0.003 0.000 0.289 338 N C 0.825 176.264 175.510 -0.119 0.000 1.277 338 N CA -0.059 52.958 53.050 -0.054 0.000 0.972 338 N CB -0.068 38.416 38.487 -0.004 0.000 1.143 338 N HN 0.901 nan 8.380 nan 0.000 0.578 339 E N -1.652 118.372 120.200 -0.293 0.000 2.463 339 E HA -0.201 4.150 4.350 0.003 0.000 0.201 339 E C -0.033 176.322 176.600 -0.408 0.000 1.045 339 E CA 1.111 57.266 56.400 -0.408 0.000 0.872 339 E CB -0.587 28.780 29.700 -0.555 0.000 0.797 339 E HN 0.660 nan 8.360 nan 0.000 0.538 340 Y N 0.255 120.619 120.300 0.106 0.000 2.555 340 Y HA 0.253 4.805 4.550 0.003 0.000 0.259 340 Y C 0.437 176.482 175.900 0.240 0.000 1.179 340 Y CA -0.622 57.584 58.100 0.178 0.000 1.230 340 Y CB 0.666 39.221 38.460 0.158 0.000 1.146 340 Y HN -0.114 nan 8.280 nan 0.000 0.526 341 L N -0.798 120.565 121.223 0.234 0.000 4.560 341 L HA -0.315 4.027 4.340 0.003 0.000 0.415 341 L C -0.182 176.777 176.870 0.148 0.000 1.123 341 L CA 0.754 55.736 54.840 0.237 0.000 0.991 341 L CB -2.523 39.746 42.059 0.350 0.000 2.127 341 L HN 0.430 nan 8.230 nan 0.000 0.765 342 Q N 0.341 120.124 119.800 -0.029 0.000 2.267 342 Q HA 0.466 4.807 4.340 0.003 0.000 0.255 342 Q C 1.182 177.083 176.000 -0.165 0.000 0.923 342 Q CA 0.439 56.039 55.803 -0.337 0.000 0.925 342 Q CB 1.512 30.049 28.738 -0.335 0.000 1.195 342 Q HN 0.439 nan 8.270 nan 0.000 0.417 343 T N -1.919 112.526 114.554 -0.182 0.000 2.793 343 T HA 0.083 4.435 4.350 0.003 0.000 0.299 343 T C 1.348 175.997 174.700 -0.086 0.000 1.038 343 T CA -0.066 61.977 62.100 -0.094 0.000 0.948 343 T CB 0.600 69.425 68.868 -0.073 0.000 1.231 343 T HN 0.619 nan 8.240 nan 0.000 0.538 344 S N -1.174 114.493 115.700 -0.055 0.000 2.489 344 S HA 0.116 4.588 4.470 0.003 0.000 0.228 344 S C 0.640 175.214 174.600 -0.045 0.000 0.995 344 S CA -0.326 57.849 58.200 -0.042 0.000 0.934 344 S CB -0.488 62.696 63.200 -0.027 0.000 0.771 344 S HN 0.556 nan 8.310 nan 0.000 0.522 345 V N 4.845 124.725 119.914 -0.056 0.000 2.439 345 V HA 0.391 4.513 4.120 0.003 0.000 0.282 345 V C -2.189 173.860 176.094 -0.075 0.000 1.039 345 V CA -2.350 59.919 62.300 -0.050 0.000 0.913 345 V CB 1.160 32.957 31.823 -0.043 0.000 0.983 345 V HN 0.256 nan 8.190 nan 0.000 0.460 346 P HA 0.079 nan 4.420 nan 0.000 0.267 346 P C 0.096 177.356 177.300 -0.067 0.000 1.205 346 P CA 0.321 63.394 63.100 -0.046 0.000 0.765 346 P CB 0.350 32.056 31.700 0.009 0.000 0.828 347 N N -0.583 118.067 118.700 -0.084 0.000 2.878 347 N HA -0.106 4.636 4.740 0.003 0.000 0.247 347 N C -0.664 174.812 175.510 -0.056 0.000 1.021 347 N CA 0.706 53.727 53.050 -0.050 0.000 0.873 347 N CB -1.451 36.964 38.487 -0.119 0.000 1.128 347 N HN 0.257 nan 8.380 nan 0.000 0.571 348 V N 1.808 121.643 119.914 -0.131 0.000 2.378 348 V HA 0.451 4.573 4.120 0.003 0.000 0.288 348 V C -0.169 175.846 176.094 -0.131 0.000 1.016 348 V CA -0.600 61.657 62.300 -0.073 0.000 0.840 348 V CB 1.037 32.811 31.823 -0.081 0.000 0.994 348 V HN 0.033 nan 8.190 nan 0.000 0.431 349 Y N 2.301 122.558 120.300 -0.072 0.000 2.534 349 Y HA 0.837 5.389 4.550 0.003 0.000 0.329 349 Y C 0.436 176.315 175.900 -0.035 0.000 1.154 349 Y CA -0.861 57.216 58.100 -0.038 0.000 1.192 349 Y CB 1.960 40.395 38.460 -0.041 0.000 1.275 349 Y HN 0.687 nan 8.280 nan 0.000 0.491 350 A N 1.231 124.143 122.820 0.154 0.000 2.422 350 A HA 0.870 5.192 4.320 0.003 0.000 0.302 350 A C -1.210 176.440 177.584 0.110 0.000 1.041 350 A CA -0.553 51.540 52.037 0.093 0.000 0.708 350 A CB 1.000 20.028 19.000 0.046 0.000 1.257 350 A HN 0.861 nan 8.150 nan 0.000 0.414 351 V N -0.856 119.115 119.914 0.095 0.000 3.182 351 V HA 1.010 5.132 4.120 0.003 0.000 0.308 351 V C 0.664 176.796 176.094 0.063 0.000 1.240 351 V CA -0.026 62.331 62.300 0.095 0.000 1.063 351 V CB 0.728 32.625 31.823 0.123 0.000 1.076 351 V HN 2.859 nan 8.190 nan 0.000 0.446 352 G N 0.839 109.664 108.800 0.042 0.000 2.569 352 G HA2 -0.229 3.733 3.960 0.003 0.000 0.259 352 G HA3 -0.229 3.733 3.960 0.003 0.000 0.259 352 G C 0.109 175.004 174.900 -0.008 0.000 1.263 352 G CA 0.781 45.886 45.100 0.008 0.000 0.928 352 G HN 1.082 nan 8.290 nan 0.000 0.572 353 D N -0.109 120.286 120.400 -0.007 0.000 2.309 353 D HA 0.008 4.650 4.640 0.003 0.000 0.212 353 D C 2.430 178.731 176.300 0.001 0.000 0.968 353 D CA 0.986 54.980 54.000 -0.011 0.000 0.882 353 D CB -0.051 40.752 40.800 0.004 0.000 0.918 353 D HN 0.353 nan 8.370 nan 0.000 0.503 354 L N 0.855 122.086 121.223 0.013 0.000 2.201 354 L HA -0.036 4.305 4.340 0.003 0.000 0.212 354 L C 1.691 178.566 176.870 0.008 0.000 1.105 354 L CA 1.232 56.080 54.840 0.013 0.000 0.775 354 L CB -0.280 41.792 42.059 0.022 0.000 0.913 354 L HN 0.128 nan 8.230 nan 0.000 0.440 355 I N -3.372 117.202 120.570 0.007 0.000 3.904 355 I HA 0.556 4.728 4.170 0.003 0.000 0.333 355 I C 0.916 177.026 176.117 -0.011 0.000 1.361 355 I CA 0.128 61.429 61.300 0.002 0.000 1.116 355 I CB -0.726 37.282 38.000 0.013 0.000 1.028 355 I HN 0.215 nan 8.210 nan 0.000 0.398 356 G N 0.912 109.703 108.800 -0.015 0.000 2.548 356 G HA2 -0.032 3.930 3.960 0.003 0.000 0.208 356 G HA3 -0.032 3.930 3.960 0.003 0.000 0.208 356 G C -0.048 174.830 174.900 -0.036 0.000 1.308 356 G CA -0.563 44.524 45.100 -0.020 0.000 0.924 356 G HN 0.691 nan 8.290 nan 0.000 0.540 357 G N 0.513 109.295 108.800 -0.030 0.000 2.537 357 G HA2 0.716 4.678 3.960 0.003 0.000 0.273 357 G HA3 0.716 4.678 3.960 0.003 0.000 0.273 357 G C -1.624 173.249 174.900 -0.046 0.000 1.189 357 G CA -0.065 45.011 45.100 -0.039 0.000 0.881 357 G HN 0.772 nan 8.290 nan 0.000 0.535 358 P HA 0.167 nan 4.420 nan 0.000 0.276 358 P C -0.382 176.798 177.300 -0.200 0.000 1.235 358 P CA -0.073 62.960 63.100 -0.111 0.000 0.772 358 P CB 0.983 32.587 31.700 -0.159 0.000 0.871 359 M N 3.181 122.698 119.600 -0.138 0.000 2.974 359 M HA 0.174 4.656 4.480 0.003 0.000 0.301 359 M C 0.218 176.411 176.300 -0.179 0.000 1.409 359 M CA 0.349 55.564 55.300 -0.142 0.000 1.515 359 M CB 0.052 32.607 32.600 -0.076 0.000 1.163 359 M HN 0.233 nan 8.290 nan 0.000 0.520 360 E N 1.254 121.258 120.200 -0.327 0.000 2.369 360 E HA 0.366 4.717 4.350 0.003 0.000 0.270 360 E C 0.429 176.802 176.600 -0.379 0.000 0.909 360 E CA -0.651 55.546 56.400 -0.338 0.000 0.775 360 E CB 1.626 31.031 29.700 -0.493 0.000 1.270 360 E HN 0.428 nan 8.360 nan 0.000 0.445 361 M N 0.493 119.984 119.600 -0.183 0.000 2.117 361 M HA -0.088 4.394 4.480 0.003 0.000 0.262 361 M C 2.062 178.236 176.300 -0.211 0.000 1.065 361 M CA 1.523 56.736 55.300 -0.144 0.000 1.114 361 M CB -1.010 31.571 32.600 -0.032 0.000 1.361 361 M HN 0.574 nan 8.290 nan 0.000 0.408 362 F N 0.483 120.370 119.950 -0.105 0.000 2.171 362 F HA -0.088 4.441 4.527 0.003 0.000 0.300 362 F C 2.168 177.908 175.800 -0.099 0.000 1.090 362 F CA 1.198 59.127 58.000 -0.118 0.000 1.293 362 F CB -1.003 37.950 39.000 -0.078 0.000 1.013 362 F HN -0.051 nan 8.300 nan 0.000 0.486 363 K N 1.609 121.402 120.400 -1.012 0.000 2.025 363 K HA 0.004 4.326 4.320 0.003 0.000 0.207 363 K C 2.289 178.755 176.600 -0.223 0.000 1.049 363 K CA 1.328 57.297 56.287 -0.529 0.000 0.933 363 K CB -0.816 31.256 32.500 -0.714 0.000 0.714 363 K HN 0.391 nan 8.250 nan 0.000 0.438 364 A N 1.504 124.173 122.820 -0.252 0.000 1.858 364 A HA -0.174 4.147 4.320 0.003 0.000 0.216 364 A C 2.293 179.811 177.584 -0.111 0.000 1.190 364 A CA 1.708 53.668 52.037 -0.129 0.000 0.617 364 A CB -0.494 18.441 19.000 -0.108 0.000 0.827 364 A HN 0.361 nan 8.150 nan 0.000 0.443 365 R N -0.279 120.095 120.500 -0.210 0.000 2.073 365 R HA -0.108 4.234 4.340 0.003 0.000 0.234 365 R C 2.299 178.521 176.300 -0.130 0.000 1.134 365 R CA 1.768 57.696 56.100 -0.288 0.000 0.952 365 R CB -0.286 29.545 30.300 -0.782 0.000 0.850 365 R HN 0.517 nan 8.270 nan 0.000 0.433 366 K N 0.286 120.592 120.400 -0.156 0.000 2.057 366 K HA -0.093 4.229 4.320 0.003 0.000 0.206 366 K C 2.342 178.783 176.600 -0.266 0.000 1.050 366 K CA 1.711 57.884 56.287 -0.189 0.000 0.935 366 K CB -0.129 32.165 32.500 -0.344 0.000 0.715 366 K HN 0.190 nan 8.250 nan 0.000 0.439 367 S N 0.567 116.086 115.700 -0.302 0.000 2.382 367 S HA -0.117 4.355 4.470 0.003 0.000 0.228 367 S C 2.258 176.890 174.600 0.052 0.000 1.027 367 S CA 1.190 59.326 58.200 -0.107 0.000 0.991 367 S CB -0.867 62.387 63.200 0.091 0.000 0.823 367 S HN 0.382 nan 8.310 nan 0.000 0.469 368 G N 0.582 109.421 108.800 0.066 0.000 2.418 368 G HA2 -0.187 3.775 3.960 0.003 0.000 0.217 368 G HA3 -0.187 3.775 3.960 0.003 0.000 0.217 368 G C 1.556 176.543 174.900 0.144 0.000 1.158 368 G CA 1.042 46.235 45.100 0.155 0.000 0.771 368 G HN 0.641 nan 8.290 nan 0.000 0.545 369 C N -0.589 118.752 119.300 0.069 0.000 2.440 369 C HA 0.059 4.521 4.460 0.003 0.000 0.278 369 C C 2.459 177.301 174.990 -0.245 0.000 1.295 369 C CA 0.297 59.239 59.018 -0.126 0.000 1.738 369 C CB -1.120 26.435 27.740 -0.308 0.000 1.987 369 C HN 0.512 nan 8.230 nan 0.000 0.492 370 Y N 1.568 121.722 120.300 -0.244 0.000 2.242 370 Y HA -0.061 4.491 4.550 0.003 0.000 0.291 370 Y C 2.645 178.507 175.900 -0.063 0.000 1.137 370 Y CA 1.323 59.328 58.100 -0.158 0.000 1.181 370 Y CB -0.913 37.478 38.460 -0.115 0.000 0.989 370 Y HN 0.266 nan 8.280 nan 0.000 0.527 371 A N 0.015 122.896 122.820 0.101 0.000 1.902 371 A HA -0.130 4.191 4.320 0.003 0.000 0.217 371 A C 2.462 179.889 177.584 -0.260 0.000 1.181 371 A CA 1.780 53.777 52.037 -0.067 0.000 0.623 371 A CB -1.208 17.760 19.000 -0.054 0.000 0.818 371 A HN 0.388 nan 8.150 nan 0.000 0.443 372 A N -0.078 122.688 122.820 -0.089 0.000 1.902 372 A HA -0.178 4.144 4.320 0.003 0.000 0.217 372 A C 2.240 179.802 177.584 -0.037 0.000 1.181 372 A CA 1.595 53.619 52.037 -0.021 0.000 0.623 372 A CB -0.460 18.639 19.000 0.164 0.000 0.818 372 A HN 0.565 nan 8.150 nan 0.000 0.443 373 R N -0.521 119.939 120.500 -0.066 0.000 2.092 373 R HA -0.112 4.230 4.340 0.003 0.000 0.231 373 R C 1.951 178.240 176.300 -0.018 0.000 1.119 373 R CA 1.638 57.713 56.100 -0.041 0.000 0.970 373 R CB -0.415 29.793 30.300 -0.153 0.000 0.864 373 R HN 0.620 nan 8.270 nan 0.000 0.440 374 N N -0.082 118.608 118.700 -0.016 0.000 2.142 374 N HA -0.113 4.628 4.740 0.003 0.000 0.186 374 N C 1.643 177.148 175.510 -0.008 0.000 1.023 374 N CA 0.886 53.959 53.050 0.039 0.000 0.852 374 N CB -0.022 38.579 38.487 0.190 0.000 0.998 374 N HN -0.070 nan 8.380 nan 0.000 0.424 375 V N 0.734 120.550 119.914 -0.164 0.000 2.490 375 V HA -0.152 3.970 4.120 0.003 0.000 0.250 375 V C 1.563 177.641 176.094 -0.026 0.000 1.061 375 V CA 1.189 63.404 62.300 -0.140 0.000 1.064 375 V CB -0.329 31.332 31.823 -0.271 0.000 0.670 375 V HN 0.424 nan 8.190 nan 0.000 0.461 376 M N -0.437 119.157 119.600 -0.011 0.000 2.568 376 M HA 0.257 4.739 4.480 0.003 0.000 0.226 376 M C 1.653 177.966 176.300 0.022 0.000 1.148 376 M CA 0.922 56.234 55.300 0.020 0.000 1.007 376 M CB -0.752 31.871 32.600 0.039 0.000 1.651 376 M HN 0.519 nan 8.290 nan 0.000 0.488 377 G N 0.755 109.567 108.800 0.021 0.000 2.175 377 G HA2 -0.247 3.715 3.960 0.003 0.000 0.244 377 G HA3 -0.247 3.715 3.960 0.003 0.000 0.244 377 G C 0.168 175.077 174.900 0.015 0.000 0.982 377 G CA 0.147 45.258 45.100 0.019 0.000 0.641 377 G HN 0.520 nan 8.290 nan 0.000 0.527 378 E N 0.997 121.209 120.200 0.019 0.000 1.963 378 E HA 0.367 4.718 4.350 0.003 0.000 0.274 378 E C 0.462 177.079 176.600 0.029 0.000 1.061 378 E CA -0.593 55.820 56.400 0.022 0.000 0.847 378 E CB 0.066 29.780 29.700 0.024 0.000 1.083 378 E HN 0.297 nan 8.360 nan 0.000 0.402 379 K N 5.545 125.953 120.400 0.013 0.000 2.351 379 K HA 0.121 4.443 4.320 0.003 0.000 0.287 379 K C -0.670 176.002 176.600 0.119 0.000 1.068 379 K CA 0.147 56.431 56.287 -0.005 0.000 0.998 379 K CB 0.191 32.626 32.500 -0.109 0.000 0.968 379 K HN 0.555 nan 8.250 nan 0.000 0.464 380 I N 3.100 123.820 120.570 0.250 0.000 2.569 380 I HA 0.219 4.391 4.170 0.003 0.000 0.290 380 I C -0.779 175.658 176.117 0.533 0.000 1.088 380 I CA -0.420 61.085 61.300 0.342 0.000 1.047 380 I CB 2.006 40.130 38.000 0.208 0.000 1.237 380 I HN 0.702 nan 8.210 nan 0.000 0.421 381 S N 6.030 121.987 115.700 0.429 0.000 2.617 381 S HA 0.572 5.043 4.470 0.003 0.000 0.283 381 S C -1.032 173.702 174.600 0.223 0.000 1.189 381 S CA -0.411 57.917 58.200 0.213 0.000 1.036 381 S CB 1.668 64.848 63.200 -0.033 0.000 1.014 381 S HN 0.601 nan 8.310 nan 0.000 0.522 382 Y N 1.275 121.509 120.300 -0.111 0.000 2.361 382 Y HA 0.526 5.078 4.550 0.003 0.000 0.328 382 Y C -0.963 174.823 175.900 -0.189 0.000 1.044 382 Y CA -0.568 57.355 58.100 -0.296 0.000 1.085 382 Y CB 1.872 39.951 38.460 -0.635 0.000 1.194 382 Y HN 1.037 nan 8.280 nan 0.000 0.438 383 T N 5.557 119.714 114.554 -0.662 0.000 3.078 383 T HA 0.431 4.782 4.350 0.003 0.000 0.328 383 T C -3.177 171.196 174.700 -0.546 0.000 0.987 383 T CA -1.670 60.102 62.100 -0.547 0.000 1.049 383 T CB 1.335 70.055 68.868 -0.247 0.000 1.011 383 T HN 0.490 nan 8.240 nan 0.000 0.463 384 P HA 0.325 nan 4.420 nan 0.000 0.267 384 P C -0.739 176.647 177.300 0.143 0.000 1.209 384 P CA -0.043 62.953 63.100 -0.174 0.000 0.763 384 P CB 0.515 32.163 31.700 -0.087 0.000 0.816 385 K N 1.142 121.688 120.400 0.242 0.000 2.610 385 K HA 0.291 4.613 4.320 0.003 0.000 0.278 385 K C -0.680 175.924 176.600 0.007 0.000 0.964 385 K CA -0.965 55.392 56.287 0.117 0.000 0.859 385 K CB 0.543 33.049 32.500 0.010 0.000 1.434 385 K HN 0.136 nan 8.250 nan 0.000 0.410 386 N N 0.608 119.172 118.700 -0.226 0.000 2.727 386 N HA -0.196 4.546 4.740 0.003 0.000 0.251 386 N C -1.372 174.043 175.510 -0.158 0.000 1.040 386 N CA 1.491 54.418 53.050 -0.206 0.000 0.712 386 N CB -1.555 36.880 38.487 -0.086 0.000 0.912 386 N HN 0.632 nan 8.380 nan 0.000 0.545 387 Y N -1.344 118.925 120.300 -0.052 0.000 2.528 387 Y HA 0.872 5.424 4.550 0.003 0.000 0.335 387 Y C -2.241 173.598 175.900 -0.101 0.000 1.093 387 Y CA -2.665 55.337 58.100 -0.163 0.000 1.134 387 Y CB 0.341 38.594 38.460 -0.345 0.000 1.253 387 Y HN -0.098 nan 8.280 nan 0.000 0.478 388 P HA 0.324 nan 4.420 nan 0.000 0.276 388 P C -1.200 176.181 177.300 0.134 0.000 1.261 388 P CA 0.079 63.231 63.100 0.088 0.000 0.800 388 P CB 1.804 33.550 31.700 0.076 0.000 1.066 389 D N -1.227 119.143 120.400 -0.051 0.000 2.615 389 D HA 0.649 5.291 4.640 0.003 0.000 0.267 389 D C -1.504 174.408 176.300 -0.647 0.000 1.236 389 D CA -0.263 53.631 54.000 -0.177 0.000 0.839 389 D CB 1.622 42.428 40.800 0.010 0.000 1.380 389 D HN 0.356 nan 8.370 nan 0.000 0.433 390 F N -0.018 119.571 119.950 -0.601 0.000 2.773 390 F HA 0.756 5.285 4.527 0.003 0.000 0.314 390 F C -2.364 173.344 175.800 -0.152 0.000 1.160 390 F CA -1.055 56.617 58.000 -0.546 0.000 0.920 390 F CB 0.547 39.317 39.000 -0.383 0.000 1.323 390 F HN 0.343 nan 8.300 nan 0.000 0.457 391 L N -0.481 120.656 121.223 -0.144 0.000 2.775 391 L HA 0.642 4.984 4.340 0.003 0.000 0.263 391 L C -1.974 174.922 176.870 0.042 0.000 1.017 391 L CA -0.788 53.960 54.840 -0.153 0.000 0.891 391 L CB 1.821 43.892 42.059 0.020 0.000 1.482 391 L HN 0.815 nan 8.230 nan 0.000 0.410 392 H N 0.022 119.205 119.070 0.187 0.000 2.492 392 H HA 0.785 5.343 4.556 0.003 0.000 0.345 392 H C -0.491 174.895 175.328 0.097 0.000 1.136 392 H CA 0.269 56.429 56.048 0.187 0.000 1.202 392 H CB 2.274 32.148 29.762 0.187 0.000 1.524 392 H HN 1.021 nan 8.280 nan 0.000 0.506 393 T N -1.506 113.190 114.554 0.236 0.000 1.559 393 T HA 0.105 4.456 4.350 0.003 0.000 0.177 393 T C 0.985 175.681 174.700 -0.007 0.000 0.688 393 T CA -0.355 61.793 62.100 0.081 0.000 1.094 393 T CB 0.654 69.622 68.868 0.168 0.000 3.358 393 T HN 0.610 nan 8.240 nan 0.000 0.413 394 H N -0.486 118.675 119.070 0.151 0.000 2.592 394 H HA 0.372 4.930 4.556 0.003 0.000 0.265 394 H C -0.287 175.074 175.328 0.054 0.000 0.955 394 H CA 0.181 56.259 56.048 0.050 0.000 1.175 394 H CB 0.314 30.023 29.762 -0.089 0.000 1.433 394 H HN 0.371 nan 8.280 nan 0.000 0.537 395 Y N 0.917 121.370 120.300 0.255 0.000 2.650 395 Y HA 0.275 4.827 4.550 0.003 0.000 0.331 395 Y C 0.398 176.370 175.900 0.120 0.000 1.082 395 Y CA -1.021 57.109 58.100 0.050 0.000 1.171 395 Y CB 1.430 39.844 38.460 -0.077 0.000 1.326 395 Y HN -0.137 nan 8.280 nan 0.000 0.513 396 E N 0.826 121.126 120.200 0.167 0.000 2.174 396 E HA 0.473 4.825 4.350 0.003 0.000 0.282 396 E C -1.468 175.192 176.600 0.100 0.000 0.992 396 E CA -0.542 55.941 56.400 0.139 0.000 0.803 396 E CB 1.551 31.328 29.700 0.129 0.000 1.090 396 E HN 0.209 nan 8.360 nan 0.000 0.396 397 V N 2.980 122.962 119.914 0.113 0.000 2.378 397 V HA 0.293 4.415 4.120 0.003 0.000 0.288 397 V C -0.435 175.714 176.094 0.091 0.000 1.016 397 V CA -0.619 61.782 62.300 0.170 0.000 0.840 397 V CB 1.593 33.581 31.823 0.275 0.000 0.994 397 V HN 0.588 nan 8.190 nan 0.000 0.431 398 S N 5.422 121.080 115.700 -0.069 0.000 2.503 398 S HA 0.940 5.412 4.470 0.003 0.000 0.301 398 S C -0.785 173.663 174.600 -0.253 0.000 1.087 398 S CA -0.527 57.346 58.200 -0.546 0.000 1.042 398 S CB 1.445 63.852 63.200 -1.321 0.000 1.043 398 S HN 0.652 nan 8.310 nan 0.000 0.489 399 F N 0.687 120.623 119.950 -0.023 0.000 2.678 399 F HA 0.846 5.375 4.527 0.003 0.000 0.308 399 F C -1.489 174.476 175.800 0.276 0.000 1.118 399 F CA -1.462 56.684 58.000 0.243 0.000 0.959 399 F CB 0.813 39.977 39.000 0.274 0.000 1.305 399 F HN 0.490 nan 8.300 nan 0.000 0.443 400 L N 0.125 121.545 121.223 0.327 0.000 2.582 400 L HA 1.045 5.387 4.340 0.003 0.000 0.257 400 L C 0.029 176.905 176.870 0.011 0.000 0.974 400 L CA -0.055 54.870 54.840 0.143 0.000 0.851 400 L CB 1.446 43.543 42.059 0.064 0.000 1.424 400 L HN 1.850 nan 8.230 nan 0.000 0.412 401 G N 0.850 109.648 108.800 -0.003 0.000 2.552 401 G HA2 -0.186 3.776 3.960 0.003 0.000 0.265 401 G HA3 -0.186 3.776 3.960 0.003 0.000 0.265 401 G C -0.244 174.689 174.900 0.054 0.000 1.234 401 G CA 0.231 45.318 45.100 -0.022 0.000 0.944 401 G HN 0.935 nan 8.290 nan 0.000 0.568 402 M N 1.289 120.919 119.600 0.050 0.000 2.314 402 M HA 0.541 5.023 4.480 0.003 0.000 0.342 402 M C 1.138 177.575 176.300 0.227 0.000 1.171 402 M CA 0.147 55.506 55.300 0.099 0.000 1.098 402 M CB 1.375 33.992 32.600 0.027 0.000 1.559 402 M HN 0.936 nan 8.290 nan 0.000 0.459 403 G N 0.321 109.202 108.800 0.134 0.000 2.562 403 G HA2 0.143 4.104 3.960 0.003 0.000 0.275 403 G HA3 0.143 4.104 3.960 0.003 0.000 0.275 403 G C 0.419 175.325 174.900 0.010 0.000 1.196 403 G CA -0.358 44.741 45.100 -0.002 0.000 0.908 403 G HN 0.956 nan 8.290 nan 0.000 0.524 404 E N -0.253 119.926 120.200 -0.034 0.000 2.031 404 E HA -0.175 4.177 4.350 0.003 0.000 0.193 404 E C 2.098 178.703 176.600 0.008 0.000 0.994 404 E CA 1.724 58.125 56.400 0.001 0.000 0.800 404 E CB 0.013 29.714 29.700 0.002 0.000 0.752 404 E HN 0.564 nan 8.360 nan 0.000 0.447 405 E N 0.809 121.005 120.200 -0.007 0.000 2.051 405 E HA -0.221 4.131 4.350 0.003 0.000 0.192 405 E C 1.907 178.515 176.600 0.013 0.000 0.991 405 E CA 1.435 57.835 56.400 0.001 0.000 0.799 405 E CB -0.246 29.447 29.700 -0.013 0.000 0.748 405 E HN 0.407 nan 8.360 nan 0.000 0.449 406 E N 0.488 120.695 120.200 0.012 0.000 2.097 406 E HA -0.267 4.085 4.350 0.003 0.000 0.196 406 E C 1.947 178.584 176.600 0.061 0.000 1.000 406 E CA 1.296 57.712 56.400 0.027 0.000 0.804 406 E CB -0.136 29.578 29.700 0.024 0.000 0.740 406 E HN 0.256 nan 8.360 nan 0.000 0.454 407 A N 1.308 124.170 122.820 0.069 0.000 1.898 407 A HA -0.143 4.179 4.320 0.003 0.000 0.216 407 A C 2.216 179.899 177.584 0.165 0.000 1.181 407 A CA 1.354 53.469 52.037 0.130 0.000 0.620 407 A CB -0.427 18.597 19.000 0.039 0.000 0.819 407 A HN 0.187 nan 8.150 nan 0.000 0.442 408 R N -0.552 120.001 120.500 0.089 0.000 2.081 408 R HA -0.092 4.250 4.340 0.003 0.000 0.235 408 R C 2.473 178.798 176.300 0.041 0.000 1.131 408 R CA 1.223 57.362 56.100 0.065 0.000 0.960 408 R CB -0.539 29.784 30.300 0.038 0.000 0.856 408 R HN 0.511 nan 8.270 nan 0.000 0.436 409 A N 1.357 124.197 122.820 0.034 0.000 1.978 409 A HA -0.095 4.227 4.320 0.003 0.000 0.220 409 A C 2.236 179.824 177.584 0.007 0.000 1.170 409 A CA 1.672 53.718 52.037 0.015 0.000 0.636 409 A CB -0.429 18.579 19.000 0.013 0.000 0.810 409 A HN 0.390 nan 8.150 nan 0.000 0.448 410 A N -1.890 120.948 122.820 0.029 0.000 2.239 410 A HA 0.388 4.709 4.320 0.003 0.000 0.209 410 A C 1.752 179.257 177.584 -0.132 0.000 1.171 410 A CA 1.289 53.321 52.037 -0.008 0.000 0.768 410 A CB -0.924 18.128 19.000 0.087 0.000 0.790 410 A HN 1.917 nan 8.150 nan 0.000 0.478 411 G N -1.562 107.178 108.800 -0.100 0.000 2.144 411 G HA2 -0.175 3.786 3.960 0.003 0.000 0.218 411 G HA3 -0.175 3.786 3.960 0.003 0.000 0.218 411 G C -0.086 174.699 174.900 -0.192 0.000 0.988 411 G CA 0.084 45.095 45.100 -0.147 0.000 0.659 411 G HN 0.655 nan 8.290 nan 0.000 0.522 412 H N 0.661 119.729 119.070 -0.004 0.000 2.527 412 H HA 0.393 4.951 4.556 0.003 0.000 0.321 412 H C 0.203 175.529 175.328 -0.003 0.000 1.087 412 H CA -0.169 55.877 56.048 -0.004 0.000 1.337 412 H CB 1.484 31.243 29.762 -0.004 0.000 1.440 412 H HN 0.489 nan 8.280 nan 0.000 0.490 413 E N 4.441 124.709 120.200 0.114 0.000 2.223 413 E HA 0.300 4.652 4.350 0.003 0.000 0.282 413 E C -0.373 176.265 176.600 0.065 0.000 1.046 413 E CA -0.434 56.004 56.400 0.064 0.000 0.857 413 E CB 0.361 30.084 29.700 0.039 0.000 1.055 413 E HN 0.568 nan 8.360 nan 0.000 0.409 414 I N 1.410 122.007 120.570 0.046 0.000 3.042 414 I HA 0.680 4.852 4.170 0.003 0.000 0.310 414 I C -0.872 175.253 176.117 0.014 0.000 1.117 414 I CA -1.196 60.120 61.300 0.025 0.000 1.003 414 I CB 1.950 39.962 38.000 0.020 0.000 1.228 414 I HN 0.277 nan 8.210 nan 0.000 0.443 415 V N 0.077 119.992 119.914 0.002 0.000 3.001 415 V HA 0.916 5.038 4.120 0.003 0.000 0.314 415 V C -0.188 175.903 176.094 -0.005 0.000 1.099 415 V CA -0.164 62.137 62.300 0.002 0.000 0.989 415 V CB 1.402 33.224 31.823 -0.001 0.000 1.040 415 V HN 1.055 nan 8.190 nan 0.000 0.434 416 T N -0.043 114.511 114.554 0.000 0.000 2.907 416 T HA 0.822 5.174 4.350 0.003 0.000 0.292 416 T C -0.799 173.899 174.700 -0.003 0.000 1.043 416 T CA -0.646 61.452 62.100 -0.004 0.000 1.003 416 T CB 1.857 70.733 68.868 0.012 0.000 1.084 416 T HN 0.781 nan 8.240 nan 0.000 0.483 417 I N 2.357 122.921 120.570 -0.011 0.000 2.439 417 I HA 0.505 4.677 4.170 0.003 0.000 0.285 417 I C -0.272 175.852 176.117 0.012 0.000 1.021 417 I CA -0.842 60.464 61.300 0.008 0.000 1.091 417 I CB 1.738 39.750 38.000 0.020 0.000 1.242 417 I HN 0.852 nan 8.210 nan 0.000 0.439 418 K N 5.273 125.672 120.400 -0.003 0.000 2.469 418 K HA 0.895 5.217 4.320 0.003 0.000 0.268 418 K C -1.487 175.071 176.600 -0.069 0.000 1.027 418 K CA -1.092 55.151 56.287 -0.075 0.000 0.893 418 K CB 2.671 35.067 32.500 -0.173 0.000 1.460 418 K HN 0.322 nan 8.250 nan 0.000 0.449 419 M N 1.515 121.009 119.600 -0.177 0.000 2.322 419 M HA 0.396 4.878 4.480 0.003 0.000 0.285 419 M C -2.858 173.324 176.300 -0.198 0.000 1.119 419 M CA -1.925 53.321 55.300 -0.090 0.000 0.953 419 M CB 2.426 35.050 32.600 0.041 0.000 1.701 419 M HN 0.570 nan 8.290 nan 0.000 0.479 420 P HA 0.431 nan 4.420 nan 0.000 0.276 420 P C -2.864 174.459 177.300 0.038 0.000 1.261 420 P CA -1.010 62.107 63.100 0.029 0.000 0.800 420 P CB -0.192 31.553 31.700 0.074 0.000 1.066 421 P HA 0.141 nan 4.420 nan 0.000 0.274 421 P C -0.543 176.793 177.300 0.060 0.000 1.256 421 P CA -0.047 63.078 63.100 0.042 0.000 0.795 421 P CB 0.487 32.205 31.700 0.030 0.000 1.038 422 D N 0.888 121.322 120.400 0.056 0.000 2.393 422 D HA 0.231 4.873 4.640 0.003 0.000 0.232 422 D C 0.553 176.878 176.300 0.041 0.000 1.192 422 D CA 0.591 54.625 54.000 0.057 0.000 0.882 422 D CB 0.266 41.097 40.800 0.052 0.000 1.038 422 D HN 0.405 nan 8.370 nan 0.000 0.499 423 T N -1.693 112.885 114.554 0.040 0.000 2.812 423 T HA 0.252 4.604 4.350 0.003 0.000 0.294 423 T C 1.094 175.810 174.700 0.028 0.000 1.159 423 T CA -0.850 61.268 62.100 0.030 0.000 1.008 423 T CB 1.521 70.406 68.868 0.028 0.000 1.289 423 T HN 0.251 nan 8.240 nan 0.000 0.514 424 E N 0.637 120.850 120.200 0.021 0.000 2.401 424 E HA -0.130 4.222 4.350 0.003 0.000 0.199 424 E C 1.005 177.616 176.600 0.018 0.000 1.023 424 E CA 0.738 57.148 56.400 0.017 0.000 0.859 424 E CB -0.339 29.368 29.700 0.011 0.000 0.780 424 E HN 0.474 nan 8.360 nan 0.000 0.523 425 N N 0.922 119.637 118.700 0.023 0.000 2.422 425 N HA 0.028 4.770 4.740 0.003 0.000 0.181 425 N C 1.200 176.733 175.510 0.038 0.000 1.080 425 N CA 0.895 53.961 53.050 0.026 0.000 0.893 425 N CB 0.422 38.926 38.487 0.028 0.000 0.973 425 N HN 0.371 nan 8.380 nan 0.000 0.456 426 G N 1.850 110.676 108.800 0.044 0.000 2.634 426 G HA2 -0.344 3.618 3.960 0.003 0.000 0.309 426 G HA3 -0.344 3.618 3.960 0.003 0.000 0.309 426 G C 0.851 175.806 174.900 0.091 0.000 1.265 426 G CA 0.522 45.659 45.100 0.062 0.000 0.998 426 G HN 0.286 nan 8.290 nan 0.000 0.551 427 L N 1.538 122.830 121.223 0.116 0.000 2.376 427 L HA 0.068 4.410 4.340 0.003 0.000 0.219 427 L C 1.425 178.400 176.870 0.175 0.000 1.133 427 L CA 0.575 55.520 54.840 0.176 0.000 0.816 427 L CB -0.402 41.810 42.059 0.255 0.000 0.933 427 L HN 0.385 nan 8.230 nan 0.000 0.449 428 N N 1.653 120.428 118.700 0.126 0.000 3.105 428 N HA 0.068 4.810 4.740 0.003 0.000 0.309 428 N C -0.322 175.241 175.510 0.088 0.000 1.291 428 N CA 0.241 53.362 53.050 0.118 0.000 1.153 428 N CB 0.053 38.581 38.487 0.067 0.000 1.447 428 N HN 0.162 nan 8.380 nan 0.000 0.555 429 V N -4.145 115.823 119.914 0.090 0.000 3.078 429 V HA 0.678 4.800 4.120 0.003 0.000 0.311 429 V C 0.720 176.844 176.094 0.049 0.000 1.138 429 V CA -1.236 61.096 62.300 0.053 0.000 1.007 429 V CB 1.556 33.406 31.823 0.045 0.000 1.045 429 V HN -0.007 nan 8.190 nan 0.000 0.432 430 A N 2.254 125.074 122.820 0.000 0.000 2.215 430 A HA 0.519 4.841 4.320 0.003 0.000 0.208 430 A C 0.063 177.667 177.584 0.034 0.000 1.296 430 A CA 0.761 52.783 52.037 -0.026 0.000 0.918 430 A CB -1.161 17.736 19.000 -0.171 0.000 0.806 430 A HN 0.816 nan 8.150 nan 0.000 0.490 431 L N -0.532 120.729 121.223 0.063 0.000 2.415 431 L HA 0.528 4.870 4.340 0.003 0.000 0.256 431 L C -2.413 174.511 176.870 0.091 0.000 1.010 431 L CA -2.029 52.862 54.840 0.086 0.000 0.826 431 L CB 2.461 44.550 42.059 0.051 0.000 1.405 431 L HN -0.070 nan 8.230 nan 0.000 0.410 432 P HA 0.485 nan 4.420 nan 0.000 0.275 432 P C -1.633 175.811 177.300 0.240 0.000 1.266 432 P CA -0.375 62.857 63.100 0.221 0.000 0.793 432 P CB 1.316 33.133 31.700 0.195 0.000 1.074 433 A N 0.070 123.100 122.820 0.350 0.000 2.594 433 A HA 0.672 4.994 4.320 0.003 0.000 0.296 433 A C -0.648 177.060 177.584 0.207 0.000 1.061 433 A CA -0.061 52.125 52.037 0.248 0.000 0.689 433 A CB 0.754 19.881 19.000 0.212 0.000 1.280 433 A HN 0.801 nan 8.150 nan 0.000 0.406 434 S N 0.173 115.961 115.700 0.146 0.000 2.627 434 S HA 0.408 4.880 4.470 0.003 0.000 0.270 434 S C -1.630 173.018 174.600 0.079 0.000 1.147 434 S CA -0.849 57.387 58.200 0.061 0.000 0.944 434 S CB 0.032 63.252 63.200 0.034 0.000 1.201 434 S HN 0.735 nan 8.310 nan 0.000 0.479 435 D N 1.916 122.341 120.400 0.042 0.000 2.662 435 D HA 0.144 4.786 4.640 0.003 0.000 0.233 435 D C 0.566 176.930 176.300 0.105 0.000 1.129 435 D CA 0.736 54.762 54.000 0.043 0.000 0.851 435 D CB -0.009 40.804 40.800 0.022 0.000 1.152 435 D HN 0.580 nan 8.370 nan 0.000 0.507 436 R N 0.572 121.107 120.500 0.058 0.000 3.728 436 R HA -0.156 4.186 4.340 0.003 0.000 0.478 436 R C 1.066 177.477 176.300 0.184 0.000 0.932 436 R CA 1.548 57.670 56.100 0.038 0.000 1.317 436 R CB -2.737 27.527 30.300 -0.060 0.000 1.987 436 R HN 0.648 nan 8.270 nan 0.000 0.509 437 T N -4.021 110.682 114.554 0.247 0.000 3.111 437 T HA 0.288 4.640 4.350 0.003 0.000 0.284 437 T C 1.522 176.376 174.700 0.256 0.000 0.983 437 T CA -0.379 61.945 62.100 0.372 0.000 0.900 437 T CB 0.150 69.289 68.868 0.452 0.000 1.132 437 T HN -0.152 nan 8.240 nan 0.000 0.531 438 M N 1.343 121.022 119.600 0.133 0.000 2.132 438 M HA 0.225 4.707 4.480 0.003 0.000 0.263 438 M C 2.076 178.459 176.300 0.138 0.000 1.065 438 M CA 1.124 56.507 55.300 0.138 0.000 1.122 438 M CB -1.339 31.264 32.600 0.006 0.000 1.365 438 M HN 0.318 nan 8.290 nan 0.000 0.411 439 L N -1.451 119.735 121.223 -0.063 0.000 2.046 439 L HA -0.248 4.093 4.340 0.003 0.000 0.208 439 L C 2.507 179.483 176.870 0.176 0.000 1.077 439 L CA 1.530 56.253 54.840 -0.194 0.000 0.747 439 L CB -0.843 40.812 42.059 -0.673 0.000 0.896 439 L HN 0.235 nan 8.230 nan 0.000 0.432 440 Y N -0.508 119.996 120.300 0.339 0.000 2.181 440 Y HA -0.266 4.285 4.550 0.003 0.000 0.288 440 Y C 2.682 178.737 175.900 0.258 0.000 1.146 440 Y CA 0.519 58.826 58.100 0.346 0.000 1.164 440 Y CB -0.359 38.259 38.460 0.264 0.000 0.982 440 Y HN 0.188 nan 8.280 nan 0.000 0.515 441 A N -0.317 122.746 122.820 0.405 0.000 1.933 441 A HA -0.168 4.154 4.320 0.003 0.000 0.218 441 A C 1.665 179.336 177.584 0.144 0.000 1.175 441 A CA 1.540 53.737 52.037 0.267 0.000 0.628 441 A CB -0.869 18.305 19.000 0.291 0.000 0.814 441 A HN 0.470 nan 8.150 nan 0.000 0.444 442 F N -0.198 119.840 119.950 0.146 0.000 2.714 442 F HA 0.270 4.799 4.527 0.003 0.000 0.294 442 F C 1.778 177.679 175.800 0.168 0.000 1.120 442 F CA -0.178 57.894 58.000 0.120 0.000 1.398 442 F CB -0.316 38.719 39.000 0.058 0.000 1.120 442 F HN 0.210 nan 8.300 nan 0.000 0.589 443 G N 0.691 109.734 108.800 0.404 0.000 2.594 443 G HA2 0.051 4.013 3.960 0.003 0.000 0.243 443 G HA3 0.051 4.013 3.960 0.003 0.000 0.243 443 G C -0.336 174.731 174.900 0.278 0.000 1.229 443 G CA -0.536 44.832 45.100 0.446 0.000 0.843 443 G HN 0.047 nan 8.290 nan 0.000 0.578 444 K N 0.451 120.993 120.400 0.236 0.000 2.349 444 K HA 0.395 4.717 4.320 0.003 0.000 0.289 444 K C 1.180 177.847 176.600 0.112 0.000 1.064 444 K CA 0.621 56.995 56.287 0.146 0.000 0.947 444 K CB 0.095 32.666 32.500 0.119 0.000 1.007 444 K HN 1.042 nan 8.250 nan 0.000 0.478 445 G N 2.883 111.750 108.800 0.112 0.000 2.148 445 G HA2 -0.300 3.662 3.960 0.003 0.000 0.254 445 G HA3 -0.300 3.662 3.960 0.003 0.000 0.254 445 G C 0.515 175.527 174.900 0.187 0.000 0.981 445 G CA 0.927 46.100 45.100 0.121 0.000 0.670 445 G HN 0.745 nan 8.290 nan 0.000 0.528 446 T N -3.534 111.113 114.554 0.155 0.000 3.044 446 T HA 0.629 4.981 4.350 0.003 0.000 0.260 446 T C 2.283 177.008 174.700 0.042 0.000 1.019 446 T CA 1.264 63.401 62.100 0.063 0.000 0.921 446 T CB 0.474 69.424 68.868 0.137 0.000 1.053 446 T HN 1.299 nan 8.240 nan 0.000 0.533 447 A N 3.256 126.170 122.820 0.156 0.000 1.948 447 A HA -0.234 4.088 4.320 0.003 0.000 0.220 447 A C 2.255 179.920 177.584 0.134 0.000 1.177 447 A CA 1.895 54.020 52.037 0.148 0.000 0.636 447 A CB -1.218 17.857 19.000 0.125 0.000 0.815 447 A HN 0.903 nan 8.150 nan 0.000 0.449 448 H N -1.500 117.635 119.070 0.107 0.000 2.518 448 H HA 0.055 4.613 4.556 0.003 0.000 0.289 448 H C 1.458 176.892 175.328 0.177 0.000 1.051 448 H CA 1.341 57.468 56.048 0.131 0.000 1.280 448 H CB -0.576 29.235 29.762 0.082 0.000 1.380 448 H HN 0.540 nan 8.280 nan 0.000 0.566 449 M N 1.454 120.813 119.600 -0.401 0.000 2.561 449 M HA 0.010 4.492 4.480 0.003 0.000 0.238 449 M C 1.912 178.237 176.300 0.042 0.000 1.131 449 M CA 0.537 55.666 55.300 -0.284 0.000 1.046 449 M CB 0.275 32.445 32.600 -0.717 0.000 1.532 449 M HN 0.310 nan 8.290 nan 0.000 0.497 450 S N -0.403 115.397 115.700 0.167 0.000 2.555 450 S HA 0.292 4.764 4.470 0.003 0.000 0.230 450 S C 0.980 175.693 174.600 0.187 0.000 0.978 450 S CA 0.403 58.769 58.200 0.276 0.000 0.934 450 S CB -0.238 63.108 63.200 0.243 0.000 0.766 450 S HN 0.605 nan 8.310 nan 0.000 0.533 451 G N -0.013 108.828 108.800 0.068 0.000 2.343 451 G HA2 0.289 4.250 3.960 0.003 0.000 0.465 451 G HA3 0.289 4.250 3.960 0.003 0.000 0.465 451 G C -1.466 173.165 174.900 -0.448 0.000 1.282 451 G CA -0.571 44.410 45.100 -0.198 0.000 0.996 451 G HN 0.773 nan 8.290 nan 0.000 0.521 452 F N 0.849 120.352 119.950 -0.744 0.000 2.635 452 F HA 0.734 5.262 4.527 0.003 0.000 0.314 452 F C -0.720 174.860 175.800 -0.367 0.000 1.119 452 F CA -0.059 57.541 58.000 -0.667 0.000 1.000 452 F CB 1.943 40.262 39.000 -1.135 0.000 1.278 452 F HN 1.051 nan 8.300 nan 0.000 0.446 453 Q N 4.877 124.154 119.800 -0.871 0.000 2.472 453 Q HA 0.550 4.891 4.340 0.003 0.000 0.281 453 Q C -2.237 173.570 176.000 -0.322 0.000 0.997 453 Q CA -1.232 54.380 55.803 -0.319 0.000 0.828 453 Q CB 3.194 31.948 28.738 0.027 0.000 1.443 453 Q HN 0.739 nan 8.270 nan 0.000 0.390 454 K N 1.930 122.379 120.400 0.083 0.000 2.578 454 K HA 0.517 4.839 4.320 0.003 0.000 0.269 454 K C -1.764 174.834 176.600 -0.003 0.000 0.941 454 K CA -0.715 55.593 56.287 0.036 0.000 0.847 454 K CB 1.930 34.432 32.500 0.003 0.000 1.397 454 K HN 0.823 nan 8.250 nan 0.000 0.422 455 I N 0.338 120.806 120.570 -0.170 0.000 2.569 455 I HA 0.551 4.722 4.170 0.003 0.000 0.296 455 I C -0.813 175.228 176.117 -0.126 0.000 1.028 455 I CA -1.233 59.874 61.300 -0.323 0.000 1.082 455 I CB 2.051 39.680 38.000 -0.619 0.000 1.264 455 I HN 0.127 nan 8.210 nan 0.000 0.429 456 V N 6.535 126.395 119.914 -0.089 0.000 2.370 456 V HA 0.502 4.624 4.120 0.003 0.000 0.279 456 V C 0.069 176.108 176.094 -0.093 0.000 1.029 456 V CA -0.283 61.989 62.300 -0.046 0.000 0.870 456 V CB 1.369 33.200 31.823 0.014 0.000 0.984 456 V HN 0.549 nan 8.190 nan 0.000 0.451 457 I N 3.352 123.877 120.570 -0.075 0.000 2.509 457 I HA 0.385 4.556 4.170 0.003 0.000 0.293 457 I C -0.164 175.917 176.117 -0.059 0.000 1.020 457 I CA -0.553 60.700 61.300 -0.078 0.000 1.088 457 I CB 2.048 40.010 38.000 -0.063 0.000 1.267 457 I HN 0.514 nan 8.210 nan 0.000 0.430 458 D N 4.764 125.123 120.400 -0.068 0.000 2.339 458 D HA 0.181 4.823 4.640 0.003 0.000 0.256 458 D C 0.941 177.239 176.300 -0.004 0.000 1.214 458 D CA 0.046 54.028 54.000 -0.029 0.000 0.877 458 D CB 1.810 42.593 40.800 -0.028 0.000 1.111 458 D HN 0.731 nan 8.370 nan 0.000 0.478 459 A N 5.160 127.987 122.820 0.012 0.000 1.986 459 A HA -0.213 4.109 4.320 0.003 0.000 0.220 459 A C 1.968 179.559 177.584 0.011 0.000 1.171 459 A CA 1.379 53.422 52.037 0.010 0.000 0.640 459 A CB -0.037 18.972 19.000 0.015 0.000 0.811 459 A HN 0.638 nan 8.150 nan 0.000 0.451 460 K N -1.317 119.095 120.400 0.021 0.000 2.141 460 K HA -0.029 4.293 4.320 0.003 0.000 0.202 460 K C 2.167 178.775 176.600 0.014 0.000 1.045 460 K CA 1.435 57.732 56.287 0.018 0.000 0.971 460 K CB -0.227 32.288 32.500 0.024 0.000 0.795 460 K HN 0.641 nan 8.250 nan 0.000 0.459 461 T N -1.456 113.108 114.554 0.017 0.000 3.043 461 T HA 0.064 4.415 4.350 0.003 0.000 0.263 461 T C 0.803 175.500 174.700 -0.004 0.000 1.094 461 T CA 0.094 62.199 62.100 0.009 0.000 1.127 461 T CB -0.042 68.833 68.868 0.013 0.000 0.905 461 T HN 0.195 nan 8.240 nan 0.000 0.490 462 R N 0.197 120.692 120.500 -0.009 0.000 3.963 462 R HA -0.107 4.235 4.340 0.003 0.000 0.394 462 R C -0.539 175.742 176.300 -0.032 0.000 1.131 462 R CA 0.822 56.911 56.100 -0.018 0.000 1.059 462 R CB -1.851 28.442 30.300 -0.013 0.000 1.614 462 R HN 0.480 nan 8.270 nan 0.000 0.546 463 K N 1.005 121.381 120.400 -0.039 0.000 2.144 463 K HA 0.374 4.695 4.320 0.003 0.000 0.270 463 K C 0.260 176.808 176.600 -0.087 0.000 1.005 463 K CA -0.506 55.747 56.287 -0.057 0.000 0.932 463 K CB 1.610 34.079 32.500 -0.052 0.000 1.021 463 K HN -0.185 nan 8.250 nan 0.000 0.462 464 V N 4.863 124.715 119.914 -0.102 0.000 2.508 464 V HA 0.013 4.135 4.120 0.003 0.000 0.281 464 V C 1.119 177.124 176.094 -0.148 0.000 1.041 464 V CA 0.168 62.384 62.300 -0.139 0.000 1.016 464 V CB 0.529 32.250 31.823 -0.169 0.000 0.984 464 V HN 0.696 nan 8.190 nan 0.000 0.478 465 L N 3.990 125.118 121.223 -0.159 0.000 2.609 465 L HA 0.517 4.859 4.340 0.003 0.000 0.230 465 L C 0.954 177.748 176.870 -0.128 0.000 1.087 465 L CA 0.517 55.258 54.840 -0.166 0.000 0.874 465 L CB 0.374 42.291 42.059 -0.237 0.000 1.114 465 L HN 0.806 nan 8.230 nan 0.000 0.488 466 G N -0.152 108.565 108.800 -0.138 0.000 2.616 466 G HA2 0.659 4.621 3.960 0.003 0.000 0.294 466 G HA3 0.659 4.621 3.960 0.003 0.000 0.294 466 G C -2.067 172.649 174.900 -0.307 0.000 1.489 466 G CA 0.037 45.046 45.100 -0.153 0.000 0.836 466 G HN -0.020 nan 8.290 nan 0.000 0.527 467 A N 1.476 123.981 122.820 -0.525 0.000 2.449 467 A HA 0.930 5.252 4.320 0.003 0.000 0.302 467 A C -1.116 176.217 177.584 -0.418 0.000 1.048 467 A CA -0.742 51.004 52.037 -0.484 0.000 0.708 467 A CB 1.474 20.131 19.000 -0.572 0.000 1.274 467 A HN 0.838 nan 8.150 nan 0.000 0.410 468 H N 1.708 121.048 119.070 0.449 0.000 2.894 468 H HA 0.529 5.087 4.556 0.003 0.000 0.367 468 H C -1.561 174.106 175.328 0.565 0.000 1.144 468 H CA -0.389 55.969 56.048 0.517 0.000 1.180 468 H CB 2.085 32.046 29.762 0.333 0.000 1.758 468 H HN 0.837 nan 8.280 nan 0.000 0.541 469 H N 1.491 120.783 119.070 0.370 0.000 3.029 469 H HA 0.349 4.906 4.556 0.003 0.000 0.358 469 H C -1.918 173.448 175.328 0.063 0.000 1.129 469 H CA -0.442 55.716 56.048 0.183 0.000 1.230 469 H CB 1.924 31.769 29.762 0.138 0.000 1.827 469 H HN 0.372 nan 8.280 nan 0.000 0.530 470 V N 4.832 124.452 119.914 -0.489 0.000 2.483 470 V HA 0.677 4.799 4.120 0.003 0.000 0.297 470 V C 0.578 176.284 176.094 -0.646 0.000 1.027 470 V CA 0.405 62.491 62.300 -0.358 0.000 0.855 470 V CB 0.990 32.703 31.823 -0.183 0.000 0.995 470 V HN 1.076 nan 8.190 nan 0.000 0.424 471 G N 4.096 112.682 108.800 -0.357 0.000 2.530 471 G HA2 0.225 4.187 3.960 0.003 0.000 0.081 471 G HA3 0.225 4.187 3.960 0.003 0.000 0.081 471 G C -1.774 172.883 174.900 -0.404 0.000 1.062 471 G CA -0.303 44.647 45.100 -0.249 0.000 1.108 471 G HN 0.468 nan 8.290 nan 0.000 0.466 472 Y N -0.629 119.909 120.300 0.396 0.000 2.552 472 Y HA 0.515 5.067 4.550 0.003 0.000 0.337 472 Y C 0.857 176.836 175.900 0.132 0.000 1.094 472 Y CA 0.238 58.488 58.100 0.250 0.000 1.028 472 Y CB 2.315 40.901 38.460 0.209 0.000 1.321 472 Y HN 1.987 nan 8.280 nan 0.000 0.456 473 G N 0.223 109.142 108.800 0.199 0.000 2.136 473 G HA2 -0.191 3.771 3.960 0.003 0.000 0.242 473 G HA3 -0.191 3.771 3.960 0.003 0.000 0.242 473 G C 0.492 175.345 174.900 -0.078 0.000 0.989 473 G CA 0.569 45.701 45.100 0.054 0.000 0.682 473 G HN 1.248 nan 8.290 nan 0.000 0.522 474 A N -0.618 122.080 122.820 -0.202 0.000 2.192 474 A HA 0.545 4.866 4.320 0.003 0.000 0.208 474 A C 1.815 179.306 177.584 -0.155 0.000 1.220 474 A CA 1.615 53.472 52.037 -0.300 0.000 0.900 474 A CB -0.067 18.410 19.000 -0.871 0.000 0.937 474 A HN 0.471 nan 8.150 nan 0.000 0.487 475 K N 0.618 120.881 120.400 -0.227 0.000 2.034 475 K HA -0.292 4.030 4.320 0.003 0.000 0.214 475 K C 1.592 178.108 176.600 -0.140 0.000 1.051 475 K CA 2.298 58.417 56.287 -0.280 0.000 0.931 475 K CB -0.309 31.941 32.500 -0.416 0.000 0.715 475 K HN 0.371 nan 8.250 nan 0.000 0.446 476 D N -0.622 119.721 120.400 -0.095 0.000 2.123 476 D HA -0.140 4.502 4.640 0.003 0.000 0.196 476 D C 1.706 178.031 176.300 0.041 0.000 0.992 476 D CA 1.529 55.507 54.000 -0.038 0.000 0.833 476 D CB -0.078 40.741 40.800 0.031 0.000 0.954 476 D HN 0.409 nan 8.370 nan 0.000 0.455 477 A N -0.474 122.416 122.820 0.116 0.000 1.940 477 A HA -0.156 4.166 4.320 0.003 0.000 0.219 477 A C 1.946 179.629 177.584 0.164 0.000 1.176 477 A CA 0.985 53.134 52.037 0.187 0.000 0.631 477 A CB -1.069 18.004 19.000 0.123 0.000 0.814 477 A HN 0.303 nan 8.150 nan 0.000 0.446 478 F N 0.531 120.433 119.950 -0.079 0.000 2.250 478 F HA -0.190 4.339 4.527 0.003 0.000 0.301 478 F C 2.603 178.317 175.800 -0.144 0.000 1.077 478 F CA 1.557 59.509 58.000 -0.081 0.000 1.348 478 F CB -0.483 38.462 39.000 -0.091 0.000 1.040 478 F HN 0.378 nan 8.300 nan 0.000 0.509 479 Q N -1.338 118.391 119.800 -0.119 0.000 2.050 479 Q HA -0.214 4.128 4.340 0.003 0.000 0.202 479 Q C 1.986 177.759 176.000 -0.379 0.000 0.980 479 Q CA 2.092 57.683 55.803 -0.354 0.000 0.840 479 Q CB -0.470 27.865 28.738 -0.673 0.000 0.898 479 Q HN 0.492 nan 8.270 nan 0.000 0.424 480 Y N -0.186 120.111 120.300 -0.005 0.000 2.314 480 Y HA -0.106 4.446 4.550 0.003 0.000 0.294 480 Y C 2.106 177.979 175.900 -0.045 0.000 1.119 480 Y CA 0.074 58.163 58.100 -0.018 0.000 1.179 480 Y CB -0.127 38.326 38.460 -0.011 0.000 1.025 480 Y HN 0.086 nan 8.280 nan 0.000 0.541 481 L N 1.080 122.329 121.223 0.043 0.000 2.079 481 L HA -0.245 4.097 4.340 0.003 0.000 0.210 481 L C 1.858 178.663 176.870 -0.107 0.000 1.081 481 L CA 1.868 56.669 54.840 -0.064 0.000 0.752 481 L CB -0.967 40.970 42.059 -0.204 0.000 0.896 481 L HN 0.183 nan 8.230 nan 0.000 0.433 482 N N -1.034 117.593 118.700 -0.122 0.000 2.166 482 N HA -0.170 4.572 4.740 0.003 0.000 0.186 482 N C 1.718 177.193 175.510 -0.059 0.000 1.019 482 N CA 1.583 54.570 53.050 -0.106 0.000 0.856 482 N CB -0.151 38.284 38.487 -0.087 0.000 0.993 482 N HN 0.273 nan 8.380 nan 0.000 0.426 483 V N 0.675 120.574 119.914 -0.024 0.000 2.343 483 V HA -0.196 3.926 4.120 0.003 0.000 0.247 483 V C 2.269 178.365 176.094 0.004 0.000 1.051 483 V CA 1.328 63.632 62.300 0.007 0.000 1.036 483 V CB -0.566 31.289 31.823 0.053 0.000 0.654 483 V HN 0.333 nan 8.190 nan 0.000 0.451 484 L N -0.713 120.511 121.223 0.002 0.000 2.046 484 L HA -0.177 4.165 4.340 0.003 0.000 0.208 484 L C 2.361 179.213 176.870 -0.031 0.000 1.077 484 L CA 1.647 56.483 54.840 -0.008 0.000 0.747 484 L CB -0.486 41.569 42.059 -0.007 0.000 0.896 484 L HN 0.259 nan 8.230 nan 0.000 0.432 485 I N -0.253 120.283 120.570 -0.057 0.000 2.226 485 I HA -0.284 3.888 4.170 0.003 0.000 0.245 485 I C 2.342 178.427 176.117 -0.054 0.000 1.100 485 I CA 1.375 62.630 61.300 -0.074 0.000 1.374 485 I CB -0.220 37.710 38.000 -0.115 0.000 1.057 485 I HN 0.202 nan 8.210 nan 0.000 0.413 486 K N 0.425 120.801 120.400 -0.041 0.000 2.362 486 K HA -0.138 4.184 4.320 0.003 0.000 0.200 486 K C 1.699 178.291 176.600 -0.012 0.000 1.046 486 K CA 0.848 57.120 56.287 -0.025 0.000 0.952 486 K CB -0.031 32.461 32.500 -0.015 0.000 0.753 486 K HN 0.457 nan 8.250 nan 0.000 0.466 487 Q N -0.204 119.590 119.800 -0.010 0.000 2.360 487 Q HA 0.091 4.433 4.340 0.003 0.000 0.202 487 Q C 0.018 176.013 176.000 -0.008 0.000 0.915 487 Q CA 0.217 56.019 55.803 -0.002 0.000 0.943 487 Q CB 0.938 29.679 28.738 0.005 0.000 1.064 487 Q HN 0.371 nan 8.270 nan 0.000 0.511 488 G N 2.077 110.866 108.800 -0.018 0.000 2.956 488 G HA2 -0.183 3.779 3.960 0.003 0.000 0.263 488 G HA3 -0.183 3.779 3.960 0.003 0.000 0.263 488 G C -0.995 173.890 174.900 -0.025 0.000 1.090 488 G CA -0.530 44.557 45.100 -0.021 0.000 1.185 488 G HN 0.180 nan 8.290 nan 0.000 0.566 489 L N 2.656 123.856 121.223 -0.038 0.000 2.275 489 L HA 0.879 5.221 4.340 0.003 0.000 0.288 489 L C 0.896 177.739 176.870 -0.045 0.000 1.046 489 L CA 0.354 55.170 54.840 -0.039 0.000 0.805 489 L CB 1.432 43.462 42.059 -0.049 0.000 1.193 489 L HN 0.719 nan 8.230 nan 0.000 0.426 490 T N 1.121 115.655 114.554 -0.033 0.000 2.952 490 T HA 0.276 4.627 4.350 0.003 0.000 0.286 490 T C 0.992 175.674 174.700 -0.031 0.000 1.024 490 T CA -0.122 61.959 62.100 -0.032 0.000 1.029 490 T CB 1.454 70.309 68.868 -0.021 0.000 1.094 490 T HN 0.450 nan 8.240 nan 0.000 0.515 491 V N 0.947 120.842 119.914 -0.031 0.000 2.490 491 V HA -0.132 3.990 4.120 0.003 0.000 0.250 491 V C 1.699 177.788 176.094 -0.010 0.000 1.061 491 V CA 2.453 64.739 62.300 -0.024 0.000 1.064 491 V CB -1.125 30.684 31.823 -0.023 0.000 0.670 491 V HN 0.962 nan 8.190 nan 0.000 0.461 492 D N -0.347 120.048 120.400 -0.009 0.000 2.117 492 D HA -0.159 4.483 4.640 0.003 0.000 0.198 492 D C 2.130 178.428 176.300 -0.002 0.000 0.982 492 D CA 1.579 55.577 54.000 -0.004 0.000 0.828 492 D CB -0.124 40.673 40.800 -0.005 0.000 0.967 492 D HN 0.595 nan 8.370 nan 0.000 0.464 493 E N 0.097 120.294 120.200 -0.005 0.000 2.072 493 E HA -0.130 4.222 4.350 0.003 0.000 0.191 493 E C 1.884 178.485 176.600 0.003 0.000 0.985 493 E CA 0.318 56.716 56.400 -0.003 0.000 0.801 493 E CB -0.034 29.662 29.700 -0.006 0.000 0.750 493 E HN 0.132 nan 8.360 nan 0.000 0.452 494 L N 0.903 122.128 121.223 0.002 0.000 2.046 494 L HA -0.050 4.292 4.340 0.003 0.000 0.208 494 L C 2.218 179.105 176.870 0.029 0.000 1.077 494 L CA 2.144 56.995 54.840 0.017 0.000 0.747 494 L CB -0.932 41.136 42.059 0.014 0.000 0.896 494 L HN 0.114 nan 8.230 nan 0.000 0.432 495 G N -1.707 107.106 108.800 0.020 0.000 2.471 495 G HA2 -0.288 3.673 3.960 0.003 0.000 0.219 495 G HA3 -0.288 3.673 3.960 0.003 0.000 0.219 495 G C 1.173 176.081 174.900 0.013 0.000 1.125 495 G CA 0.800 45.912 45.100 0.020 0.000 0.775 495 G HN 0.465 nan 8.290 nan 0.000 0.548 496 D N -0.407 119.999 120.400 0.010 0.000 2.340 496 D HA 0.149 4.790 4.640 0.003 0.000 0.220 496 D C 1.512 177.817 176.300 0.008 0.000 1.039 496 D CA -0.174 53.829 54.000 0.006 0.000 0.866 496 D CB -0.040 40.761 40.800 0.002 0.000 0.913 496 D HN 0.212 nan 8.370 nan 0.000 0.523 497 M N -0.015 119.593 119.600 0.014 0.000 2.114 497 M HA 0.160 4.642 4.480 0.003 0.000 0.293 497 M C -0.151 176.159 176.300 0.016 0.000 1.201 497 M CA -0.097 55.212 55.300 0.015 0.000 1.107 497 M CB 0.649 33.262 32.600 0.022 0.000 1.405 497 M HN -0.169 nan 8.290 nan 0.000 0.486 498 D N 2.249 122.658 120.400 0.015 0.000 2.373 498 D HA 0.128 4.770 4.640 0.003 0.000 0.227 498 D C -0.241 176.078 176.300 0.031 0.000 1.091 498 D CA -0.177 53.834 54.000 0.018 0.000 0.840 498 D CB 0.689 41.495 40.800 0.011 0.000 1.060 498 D HN 0.429 nan 8.370 nan 0.000 0.502 499 E N 2.239 122.467 120.200 0.046 0.000 2.345 499 E HA 0.206 4.558 4.350 0.003 0.000 0.259 499 E C -0.518 176.137 176.600 0.092 0.000 1.117 499 E CA -0.494 55.952 56.400 0.076 0.000 0.913 499 E CB 1.485 31.249 29.700 0.108 0.000 1.057 499 E HN 0.354 nan 8.360 nan 0.000 0.432 500 L N 2.752 124.040 121.223 0.108 0.000 2.435 500 L HA 0.299 4.640 4.340 0.003 0.000 0.253 500 L C -0.444 176.522 176.870 0.160 0.000 1.087 500 L CA -0.812 54.090 54.840 0.104 0.000 0.950 500 L CB 0.122 42.211 42.059 0.050 0.000 1.304 500 L HN 0.441 nan 8.230 nan 0.000 0.453 501 F N 2.542 122.512 119.950 0.034 0.000 2.484 501 F HA 0.266 4.795 4.527 0.003 0.000 0.360 501 F C 0.054 175.881 175.800 0.045 0.000 1.101 501 F CA -0.175 57.856 58.000 0.052 0.000 1.251 501 F CB 0.752 39.777 39.000 0.041 0.000 1.132 501 F HN 0.129 nan 8.300 nan 0.000 0.570 502 L N 5.871 126.820 121.223 -0.456 0.000 2.331 502 L HA 0.205 4.547 4.340 0.003 0.000 0.278 502 L C -0.440 176.306 176.870 -0.207 0.000 1.106 502 L CA -0.289 54.040 54.840 -0.852 0.000 0.824 502 L CB 0.458 42.048 42.059 -0.781 0.000 1.142 502 L HN 0.566 nan 8.230 nan 0.000 0.443 503 N N 3.160 121.866 118.700 0.010 0.000 2.399 503 N HA 0.454 5.196 4.740 0.003 0.000 0.295 503 N C -2.405 173.007 175.510 -0.164 0.000 1.048 503 N CA -2.386 50.663 53.050 -0.001 0.000 0.886 503 N CB 0.850 39.377 38.487 0.066 0.000 1.185 503 N HN 0.129 nan 8.380 nan 0.000 0.487 504 P HA -0.144 nan 4.420 nan 0.000 0.216 504 P C 0.013 177.072 177.300 -0.402 0.000 1.154 504 P CA 1.969 64.959 63.100 -0.184 0.000 0.865 504 P CB -0.012 31.595 31.700 -0.155 0.000 0.789 505 T N -3.139 111.111 114.554 -0.507 0.000 2.795 505 T HA 0.259 4.611 4.350 0.003 0.000 0.282 505 T C 0.375 174.700 174.700 -0.625 0.000 0.980 505 T CA -0.554 61.060 62.100 -0.811 0.000 1.012 505 T CB 0.575 68.791 68.868 -1.087 0.000 0.936 505 T HN 0.139 nan 8.240 nan 0.000 0.457 506 H N 2.332 121.201 119.070 -0.336 0.000 2.520 506 H HA 0.215 4.773 4.556 0.004 0.000 0.284 506 H C 0.729 176.100 175.328 0.071 0.000 1.037 506 H CA -0.768 55.255 56.048 -0.041 0.000 1.168 506 H CB -0.140 29.659 29.762 0.062 0.000 1.497 506 H HN 0.585 nan 8.280 nan 0.000 0.547 507 F N 0.932 120.952 119.950 0.117 0.000 2.154 507 F HA -0.196 4.333 4.527 0.003 0.000 0.301 507 F C 2.286 178.113 175.800 0.044 0.000 1.087 507 F CA 0.566 58.599 58.000 0.056 0.000 1.274 507 F CB -1.052 37.948 39.000 0.000 0.000 1.009 507 F HN 0.162 nan 8.300 nan 0.000 0.485 508 I N 0.192 120.895 120.570 0.222 0.000 2.090 508 I HA -0.285 3.887 4.170 0.003 0.000 0.236 508 I C 2.804 178.977 176.117 0.094 0.000 1.064 508 I CA 1.669 63.047 61.300 0.130 0.000 1.324 508 I CB -0.722 37.335 38.000 0.095 0.000 1.044 508 I HN 0.175 nan 8.210 nan 0.000 0.399 509 Q N 1.427 121.279 119.800 0.087 0.000 2.167 509 Q HA -0.156 4.186 4.340 0.003 0.000 0.202 509 Q C 2.115 178.136 176.000 0.035 0.000 0.970 509 Q CA 1.625 57.446 55.803 0.030 0.000 0.855 509 Q CB -0.693 28.027 28.738 -0.029 0.000 0.911 509 Q HN 0.536 nan 8.270 nan 0.000 0.438 510 L N 1.083 122.356 121.223 0.083 0.000 2.141 510 L HA -0.084 4.258 4.340 0.003 0.000 0.209 510 L C 2.540 179.445 176.870 0.058 0.000 1.094 510 L CA 1.063 55.946 54.840 0.073 0.000 0.763 510 L CB -0.370 41.763 42.059 0.123 0.000 0.908 510 L HN 0.177 nan 8.230 nan 0.000 0.437 511 S N -0.397 115.346 115.700 0.071 0.000 2.368 511 S HA -0.177 4.295 4.470 0.003 0.000 0.224 511 S C 2.062 176.675 174.600 0.022 0.000 1.029 511 S CA 1.059 59.283 58.200 0.041 0.000 0.988 511 S CB -0.225 63.001 63.200 0.043 0.000 0.838 511 S HN 0.333 nan 8.310 nan 0.000 0.462 512 R N 0.886 121.399 120.500 0.022 0.000 2.127 512 R HA -0.005 4.337 4.340 0.003 0.000 0.238 512 R C 1.962 178.262 176.300 -0.000 0.000 1.134 512 R CA 0.998 57.102 56.100 0.007 0.000 0.975 512 R CB -0.329 29.971 30.300 0.000 0.000 0.865 512 R HN 0.367 nan 8.270 nan 0.000 0.447 513 L N -0.029 121.194 121.223 0.001 0.000 2.275 513 L HA -0.113 4.229 4.340 0.003 0.000 0.215 513 L C 2.159 179.028 176.870 -0.001 0.000 1.119 513 L CA 0.919 55.756 54.840 -0.004 0.000 0.790 513 L CB -0.111 41.945 42.059 -0.005 0.000 0.919 513 L HN 0.127 nan 8.230 nan 0.000 0.443 514 R N -0.885 119.616 120.500 0.003 0.000 2.279 514 R HA 0.240 4.582 4.340 0.003 0.000 0.195 514 R C 2.051 178.351 176.300 -0.000 0.000 0.905 514 R CA 0.797 56.898 56.100 0.002 0.000 1.044 514 R CB -0.264 30.038 30.300 0.003 0.000 1.056 514 R HN 0.134 nan 8.270 nan 0.000 0.535 515 A N 0.778 123.598 122.820 0.000 0.000 2.131 515 A HA -0.058 4.263 4.320 0.003 0.000 0.220 515 A C 2.053 179.636 177.584 -0.002 0.000 1.158 515 A CA 1.687 53.723 52.037 -0.001 0.000 0.665 515 A CB -0.762 18.238 19.000 -0.001 0.000 0.795 515 A HN 0.345 nan 8.150 nan 0.000 0.460 516 G N -0.903 107.896 108.800 -0.002 0.000 2.534 516 G HA2 0.154 4.116 3.960 0.003 0.000 0.217 516 G HA3 0.154 4.116 3.960 0.003 0.000 0.217 516 G C 0.683 175.582 174.900 -0.002 0.000 1.128 516 G CA 0.703 45.801 45.100 -0.003 0.000 0.784 516 G HN 0.445 nan 8.290 nan 0.000 0.542 517 S N -0.506 115.193 115.700 -0.002 0.000 2.525 517 S HA 0.309 4.781 4.470 0.003 0.000 0.278 517 S C 0.916 175.515 174.600 -0.001 0.000 1.234 517 S CA -0.579 57.620 58.200 -0.001 0.000 1.058 517 S CB 2.172 65.372 63.200 -0.000 0.000 0.983 517 S HN 0.263 nan 8.310 nan 0.000 0.495 518 K N 1.715 122.114 120.400 -0.000 0.000 2.288 518 K HA 0.047 4.369 4.320 0.003 0.000 0.201 518 K C 0.137 176.738 176.600 0.001 0.000 1.048 518 K CA 0.634 56.921 56.287 -0.000 0.000 0.956 518 K CB 0.085 32.585 32.500 0.000 0.000 0.746 518 K HN 0.450 nan 8.250 nan 0.000 0.461 519 N N 0.656 119.357 118.700 0.001 0.000 2.511 519 N HA 0.198 4.940 4.740 0.003 0.000 0.249 519 N C -1.305 174.206 175.510 0.002 0.000 0.971 519 N CA -0.318 52.733 53.050 0.002 0.000 0.938 519 N CB 0.645 39.133 38.487 0.002 0.000 1.131 519 N HN -0.032 nan 8.380 nan 0.000 0.505 520 L N 2.344 123.568 121.223 0.001 0.000 2.456 520 L HA 0.294 4.636 4.340 0.003 0.000 0.272 520 L C -0.271 176.601 176.870 0.002 0.000 1.189 520 L CA -0.252 54.588 54.840 0.000 0.000 0.846 520 L CB 0.561 42.619 42.059 -0.002 0.000 1.111 520 L HN 0.179 nan 8.230 nan 0.000 0.475 521 V N 1.912 121.827 119.914 0.002 0.000 2.709 521 V HA 0.261 4.383 4.120 0.003 0.000 0.308 521 V C 0.076 176.173 176.094 0.005 0.000 1.062 521 V CA -0.666 61.637 62.300 0.004 0.000 0.901 521 V CB 2.073 33.899 31.823 0.004 0.000 1.003 521 V HN 0.832 nan 8.190 nan 0.000 0.425 522 S N 3.414 119.118 115.700 0.007 0.000 2.576 522 S HA 0.501 4.973 4.470 0.003 0.000 0.272 522 S C -0.237 174.369 174.600 0.010 0.000 1.352 522 S CA 0.021 58.226 58.200 0.008 0.000 1.021 522 S CB 0.834 64.041 63.200 0.012 0.000 0.887 522 S HN 0.543 nan 8.310 nan 0.000 0.542 523 L N 0.000 121.230 121.223 0.012 0.000 2.949 523 L HA 0.000 4.342 4.340 0.003 0.000 0.249 523 L CA 0.000 54.849 54.840 0.015 0.000 0.813 523 L CB 0.000 42.069 42.059 0.016 0.000 0.961 523 L HN 0.000 nan 8.230 nan 0.000 0.502