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 1fwg_1_C DATA FIRST_RESID 2 DATA SEQUENCE SNISRQAYAD MFGPTVGDKV RLADTELWIE VEDDLTTYGE EVKFGGGKVI DATA SEQUENCE RDGMGQGQML AADCVDLVLT NALIVDHWGI VKADIGVKDG RIFAIGKAGN DATA SEQUENCE PDIQPNVTIP IGAATEVIAA EGKIVTAGGI DTHIHWICPQ QAEEALVSGV DATA SEQUENCE TTMVGGGTGP AAGTHATTCT PGPWYISRML QAADSLPVNI GLLGKGNVSQ DATA SEQUENCE PDALREQVAA GVIGLXIHED WGATPAAIDC ALTVADEMDI QVALHSDTLN DATA SEQUENCE ESGFVEDTLA AIGGRTIHTF HTEGAGGGHA PDIITACAHP NILPSSTNPT DATA SEQUENCE LPYTLNTIDE HLDMLMVSHH LDPDIAEDVA FAESRIRRET IAAEDVLHDL DATA SEQUENCE GAFSLTSSDS QAMGRVGEVI LRTWQVAHRM KVQRGALAEE TGDNDNFRVK DATA SEQUENCE RYIAKYTINP ALTHGIAHEV GSIEVGKLAD LVVWSPAFFG VKPATVIKGG DATA SEQUENCE MIAIAPMGDI NASIPTPQPV HYRPMFGALG SARHHCRLTF LSQAAAANGV DATA SEQUENCE AERLNLRSAI AVVKGCRTVQ KADMVHNSLQ PNITVDAQTY EVRVDGELIT DATA SEQUENCE SEPADVLPMA QRYFLF 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.617 174.600 0.028 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.222 63.200 0.037 0.000 0.593 3 N N -0.035 118.681 118.700 0.027 0.000 2.284 3 N HA 0.752 5.492 4.740 -0.000 0.000 0.289 3 N C -1.875 173.655 175.510 0.033 0.000 1.179 3 N CA -0.368 52.691 53.050 0.014 0.000 0.774 3 N CB 2.592 41.081 38.487 0.004 0.000 1.548 3 N HN 0.713 nan 8.380 nan 0.000 0.473 4 I N 0.606 121.194 120.570 0.029 0.000 2.752 4 I HA 0.236 4.405 4.170 -0.000 0.000 0.295 4 I C -0.238 175.907 176.117 0.045 0.000 1.219 4 I CA -0.456 60.886 61.300 0.070 0.000 1.030 4 I CB 1.969 40.065 38.000 0.160 0.000 1.259 4 I HN 0.625 nan 8.210 nan 0.000 0.423 5 S N 6.016 121.749 115.700 0.056 0.000 2.585 5 S HA 0.358 4.828 4.470 -0.000 0.000 0.273 5 S C 1.013 175.654 174.600 0.068 0.000 1.339 5 S CA -0.477 57.746 58.200 0.037 0.000 1.028 5 S CB 1.597 64.817 63.200 0.034 0.000 0.906 5 S HN 0.804 nan 8.310 nan 0.000 0.528 6 R N 0.423 120.940 120.500 0.029 0.000 2.105 6 R HA -0.154 4.186 4.340 -0.000 0.000 0.239 6 R C 2.405 178.779 176.300 0.123 0.000 1.135 6 R CA 1.770 57.899 56.100 0.048 0.000 0.967 6 R CB -0.458 29.839 30.300 -0.004 0.000 0.861 6 R HN 0.799 nan 8.270 nan 0.000 0.442 7 Q N 0.655 120.506 119.800 0.086 0.000 2.046 7 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 7 Q C 1.883 177.939 176.000 0.094 0.000 0.975 7 Q CA 2.117 57.970 55.803 0.083 0.000 0.836 7 Q CB -0.301 28.468 28.738 0.052 0.000 0.896 7 Q HN 0.305 nan 8.270 nan 0.000 0.428 8 A N -0.683 122.191 122.820 0.091 0.000 1.933 8 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 8 A C 2.059 179.703 177.584 0.101 0.000 1.175 8 A CA 1.475 53.554 52.037 0.071 0.000 0.628 8 A CB -1.097 17.943 19.000 0.066 0.000 0.814 8 A HN 0.625 nan 8.150 nan 0.000 0.444 9 Y N 0.554 120.903 120.300 0.081 0.000 2.145 9 Y HA -0.136 4.414 4.550 -0.000 0.000 0.286 9 Y C 2.682 178.694 175.900 0.187 0.000 1.145 9 Y CA 1.586 59.798 58.100 0.187 0.000 1.148 9 Y CB -0.434 38.100 38.460 0.124 0.000 0.981 9 Y HN 0.315 nan 8.280 nan 0.000 0.507 10 A N 0.024 123.019 122.820 0.292 0.000 1.940 10 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 10 A C 1.846 179.459 177.584 0.048 0.000 1.176 10 A CA 2.064 54.218 52.037 0.195 0.000 0.631 10 A CB -0.831 18.273 19.000 0.173 0.000 0.814 10 A HN 0.552 nan 8.150 nan 0.000 0.446 11 D N -0.969 119.435 120.400 0.006 0.000 2.219 11 D HA -0.074 4.566 4.640 -0.000 0.000 0.205 11 D C 1.902 178.106 176.300 -0.161 0.000 0.970 11 D CA 1.123 55.092 54.000 -0.052 0.000 0.851 11 D CB -0.165 40.612 40.800 -0.039 0.000 0.943 11 D HN 0.502 nan 8.370 nan 0.000 0.488 12 M N -1.514 117.901 119.600 -0.308 0.000 2.556 12 M HA 0.083 4.563 4.480 -0.000 0.000 0.264 12 M C 0.697 176.491 176.300 -0.843 0.000 1.163 12 M CA 0.745 55.647 55.300 -0.663 0.000 1.186 12 M CB 0.415 32.397 32.600 -1.031 0.000 1.321 12 M HN -0.093 nan 8.290 nan 0.000 0.485 13 F N -0.053 119.734 119.950 -0.272 0.000 2.706 13 F HA 0.470 4.997 4.527 -0.000 0.000 0.313 13 F C 1.024 176.782 175.800 -0.071 0.000 1.096 13 F CA -0.038 57.828 58.000 -0.223 0.000 1.219 13 F CB 0.324 39.054 39.000 -0.449 0.000 1.051 13 F HN 0.208 nan 8.300 nan 0.000 0.568 14 G N 1.535 110.386 108.800 0.085 0.000 2.707 14 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 14 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 14 G C -2.987 172.042 174.900 0.215 0.000 1.315 14 G CA -1.343 43.837 45.100 0.132 0.000 0.832 14 G HN -0.052 nan 8.290 nan 0.000 0.573 15 P HA 0.423 nan 4.420 nan 0.000 0.272 15 P C 0.105 177.557 177.300 0.253 0.000 1.230 15 P CA 0.453 63.680 63.100 0.211 0.000 0.788 15 P CB 1.612 33.395 31.700 0.139 0.000 0.949 16 T N -0.223 114.472 114.554 0.234 0.000 2.773 16 T HA 0.287 4.637 4.350 -0.000 0.000 0.278 16 T C -0.426 174.353 174.700 0.132 0.000 1.011 16 T CA -0.791 61.437 62.100 0.214 0.000 1.014 16 T CB 0.626 69.629 68.868 0.225 0.000 1.293 16 T HN 0.106 nan 8.240 nan 0.000 0.554 17 V N 2.290 122.279 119.914 0.124 0.000 2.644 17 V HA 0.301 4.421 4.120 -0.000 0.000 0.303 17 V C 1.878 178.009 176.094 0.061 0.000 1.058 17 V CA 1.713 64.065 62.300 0.087 0.000 1.228 17 V CB -0.284 31.590 31.823 0.086 0.000 0.861 17 V HN 1.335 nan 8.190 nan 0.000 0.484 18 G N 3.634 112.466 108.800 0.053 0.000 2.258 18 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.233 18 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.233 18 G C -0.028 174.897 174.900 0.041 0.000 1.006 18 G CA 0.050 45.172 45.100 0.037 0.000 0.620 18 G HN 0.672 nan 8.290 nan 0.000 0.511 19 D N 1.387 121.824 120.400 0.061 0.000 2.362 19 D HA 0.539 5.179 4.640 -0.000 0.000 0.242 19 D C 0.597 176.952 176.300 0.092 0.000 1.132 19 D CA 0.420 54.465 54.000 0.076 0.000 0.907 19 D CB 0.930 41.789 40.800 0.099 0.000 1.195 19 D HN 0.423 nan 8.370 nan 0.000 0.429 20 K N 0.164 120.641 120.400 0.128 0.000 2.267 20 K HA 0.664 4.984 4.320 -0.000 0.000 0.246 20 K C -1.038 175.741 176.600 0.299 0.000 0.954 20 K CA -0.962 55.453 56.287 0.214 0.000 0.824 20 K CB 2.315 34.951 32.500 0.226 0.000 1.167 20 K HN 0.078 nan 8.250 nan 0.000 0.431 21 V N 1.845 121.900 119.914 0.234 0.000 2.638 21 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 21 V C -0.469 175.465 176.094 -0.266 0.000 1.052 21 V CA -0.995 61.316 62.300 0.018 0.000 0.885 21 V CB 1.688 33.473 31.823 -0.063 0.000 0.999 21 V HN 0.700 nan 8.190 nan 0.000 0.424 22 R N 4.117 124.179 120.500 -0.730 0.000 2.438 22 R HA 0.479 4.819 4.340 -0.000 0.000 0.287 22 R C -0.904 175.013 176.300 -0.639 0.000 1.077 22 R CA -0.507 54.903 56.100 -1.150 0.000 1.034 22 R CB 0.578 30.030 30.300 -1.414 0.000 0.993 22 R HN 0.717 nan 8.270 nan 0.000 0.459 23 L N 6.269 127.138 121.223 -0.590 0.000 2.295 23 L HA 0.241 4.581 4.340 -0.000 0.000 0.288 23 L C 1.114 177.783 176.870 -0.336 0.000 1.079 23 L CA 0.294 54.823 54.840 -0.518 0.000 0.830 23 L CB 0.558 42.226 42.059 -0.651 0.000 1.200 23 L HN 1.133 nan 8.230 nan 0.000 0.438 24 A N 4.152 126.829 122.820 -0.240 0.000 5.483 24 A HA -0.314 4.006 4.320 -0.000 0.000 0.309 24 A C 0.756 178.245 177.584 -0.158 0.000 1.898 24 A CA 1.427 53.368 52.037 -0.159 0.000 0.716 24 A CB -1.071 17.830 19.000 -0.164 0.000 1.309 24 A HN 0.949 nan 8.150 nan 0.000 0.380 25 D N 0.105 120.458 120.400 -0.077 0.000 2.525 25 D HA 0.355 4.995 4.640 -0.000 0.000 0.229 25 D C 0.672 176.897 176.300 -0.126 0.000 1.202 25 D CA 0.986 54.929 54.000 -0.094 0.000 0.828 25 D CB -1.002 39.773 40.800 -0.041 0.000 1.008 25 D HN 1.092 nan 8.370 nan 0.000 0.493 26 T N -2.831 111.632 114.554 -0.151 0.000 2.852 26 T HA 0.279 4.629 4.350 -0.000 0.000 0.281 26 T C 0.775 175.495 174.700 0.034 0.000 0.993 26 T CA -0.518 61.535 62.100 -0.079 0.000 0.933 26 T CB 1.655 70.515 68.868 -0.014 0.000 1.187 26 T HN -0.223 nan 8.240 nan 0.000 0.559 27 E N -0.019 120.356 120.200 0.292 0.000 2.463 27 E HA 0.284 4.634 4.350 -0.000 0.000 0.193 27 E C -0.047 176.646 176.600 0.156 0.000 1.041 27 E CA -0.095 56.423 56.400 0.196 0.000 0.879 27 E CB -0.154 29.645 29.700 0.165 0.000 0.997 27 E HN 0.543 nan 8.360 nan 0.000 0.478 28 L N 0.678 121.915 121.223 0.023 0.000 2.305 28 L HA 0.261 4.601 4.340 -0.000 0.000 0.281 28 L C -0.402 176.384 176.870 -0.139 0.000 1.085 28 L CA -0.344 54.498 54.840 0.004 0.000 0.813 28 L CB 0.470 42.499 42.059 -0.049 0.000 1.157 28 L HN -0.082 nan 8.230 nan 0.000 0.436 29 W N 4.595 125.848 121.300 -0.077 0.000 2.702 29 W HA 0.634 5.294 4.660 -0.000 0.000 0.331 29 W C -0.246 176.212 176.519 -0.101 0.000 1.049 29 W CA -0.483 56.807 57.345 -0.091 0.000 1.230 29 W CB 1.563 30.991 29.460 -0.053 0.000 1.408 29 W HN 0.232 nan 8.180 nan 0.000 0.492 30 I N -0.352 120.269 120.570 0.086 0.000 2.562 30 I HA 0.650 4.819 4.170 -0.000 0.000 0.301 30 I C -0.575 175.583 176.117 0.069 0.000 1.003 30 I CA -1.121 60.188 61.300 0.014 0.000 1.127 30 I CB 2.180 40.106 38.000 -0.124 0.000 1.304 30 I HN 0.413 nan 8.210 nan 0.000 0.446 31 E N 4.394 124.625 120.200 0.051 0.000 2.187 31 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 31 E C -1.285 175.339 176.600 0.040 0.000 0.896 31 E CA -0.908 55.526 56.400 0.056 0.000 0.766 31 E CB 2.298 32.028 29.700 0.050 0.000 1.142 31 E HN 0.615 nan 8.360 nan 0.000 0.408 32 V N 5.222 125.166 119.914 0.049 0.000 2.493 32 V HA -0.050 4.070 4.120 -0.000 0.000 0.292 32 V C 0.994 177.120 176.094 0.054 0.000 1.016 32 V CA 0.677 63.008 62.300 0.052 0.000 1.097 32 V CB 0.632 32.500 31.823 0.076 0.000 0.947 32 V HN 0.843 nan 8.190 nan 0.000 0.479 33 E N 2.373 122.603 120.200 0.051 0.000 2.170 33 E HA 0.032 4.382 4.350 -0.000 0.000 0.191 33 E C 0.202 176.843 176.600 0.067 0.000 0.981 33 E CA 0.537 56.972 56.400 0.059 0.000 0.830 33 E CB 0.354 30.092 29.700 0.063 0.000 0.775 33 E HN 0.755 nan 8.360 nan 0.000 0.470 34 D N -0.715 119.729 120.400 0.074 0.000 2.609 34 D HA 0.178 4.818 4.640 -0.000 0.000 0.239 34 D C -1.986 174.358 176.300 0.075 0.000 1.229 34 D CA -0.569 53.475 54.000 0.073 0.000 0.808 34 D CB 1.993 42.844 40.800 0.085 0.000 1.448 34 D HN -0.205 nan 8.370 nan 0.000 0.433 35 D N 2.205 122.634 120.400 0.049 0.000 2.686 35 D HA 0.215 4.855 4.640 -0.000 0.000 0.249 35 D C 0.069 176.356 176.300 -0.022 0.000 1.260 35 D CA -0.408 53.614 54.000 0.036 0.000 0.910 35 D CB 1.495 42.323 40.800 0.047 0.000 1.323 35 D HN 0.126 nan 8.370 nan 0.000 0.561 36 L N 2.587 123.814 121.223 0.007 0.000 2.627 36 L HA 0.157 4.497 4.340 -0.000 0.000 0.233 36 L C 1.398 178.237 176.870 -0.052 0.000 1.144 36 L CA 0.509 55.342 54.840 -0.012 0.000 0.892 36 L CB -0.587 41.491 42.059 0.033 0.000 1.039 36 L HN 0.364 nan 8.230 nan 0.000 0.442 37 T N -1.257 113.236 114.554 -0.103 0.000 2.824 37 T HA 0.343 4.692 4.350 -0.000 0.000 0.277 37 T C 0.131 174.675 174.700 -0.260 0.000 0.975 37 T CA -0.244 61.776 62.100 -0.134 0.000 0.966 37 T CB 0.804 69.613 68.868 -0.098 0.000 1.054 37 T HN 0.060 nan 8.240 nan 0.000 0.533 38 T N 2.819 117.253 114.554 -0.200 0.000 2.809 38 T HA 0.371 4.721 4.350 -0.000 0.000 0.296 38 T C -0.895 173.729 174.700 -0.128 0.000 1.015 38 T CA -0.205 61.779 62.100 -0.192 0.000 0.954 38 T CB -0.132 68.689 68.868 -0.079 0.000 0.950 38 T HN 0.515 nan 8.240 nan 0.000 0.450 39 Y N 2.004 122.284 120.300 -0.034 0.000 2.802 39 Y HA 0.238 4.788 4.550 -0.000 0.000 0.333 39 Y C 1.737 177.618 175.900 -0.031 0.000 1.244 39 Y CA 0.913 58.988 58.100 -0.041 0.000 1.558 39 Y CB 0.142 38.559 38.460 -0.072 0.000 1.233 39 Y HN 1.029 nan 8.280 nan 0.000 0.547 40 G N 2.071 110.944 108.800 0.121 0.000 2.259 40 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 40 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 40 G C 0.589 175.499 174.900 0.018 0.000 1.001 40 G CA -0.126 45.010 45.100 0.059 0.000 0.627 40 G HN 0.540 nan 8.290 nan 0.000 0.501 41 E N 1.154 121.355 120.200 0.001 0.000 2.499 41 E HA 0.236 4.586 4.350 -0.000 0.000 0.199 41 E C 0.227 176.820 176.600 -0.013 0.000 1.016 41 E CA 0.014 56.413 56.400 -0.000 0.000 0.933 41 E CB 0.468 30.170 29.700 0.003 0.000 1.050 41 E HN 0.686 nan 8.360 nan 0.000 0.462 42 E N 0.837 120.993 120.200 -0.074 0.000 2.413 42 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 42 E C 0.182 176.815 176.600 0.054 0.000 1.015 42 E CA -0.098 56.263 56.400 -0.064 0.000 0.916 42 E CB 0.816 30.325 29.700 -0.318 0.000 0.947 42 E HN -0.092 nan 8.360 nan 0.000 0.440 43 V N 0.237 120.210 119.914 0.098 0.000 2.509 43 V HA 0.515 4.635 4.120 -0.000 0.000 0.284 43 V C -0.001 176.203 176.094 0.182 0.000 1.047 43 V CA -0.654 61.723 62.300 0.128 0.000 0.952 43 V CB 1.113 32.999 31.823 0.105 0.000 0.988 43 V HN 0.518 nan 8.190 nan 0.000 0.469 44 K N 3.301 123.811 120.400 0.183 0.000 2.468 44 K HA 0.544 4.864 4.320 -0.000 0.000 0.252 44 K C -1.839 174.861 176.600 0.167 0.000 0.932 44 K CA -0.644 55.751 56.287 0.179 0.000 0.794 44 K CB 2.515 35.115 32.500 0.166 0.000 1.241 44 K HN 0.738 nan 8.250 nan 0.000 0.428 45 F N 1.949 121.921 119.950 0.036 0.000 2.422 45 F HA 0.713 5.240 4.527 -0.000 0.000 0.333 45 F C 0.240 176.044 175.800 0.007 0.000 1.095 45 F CA 0.513 58.525 58.000 0.021 0.000 1.038 45 F CB 1.597 40.607 39.000 0.017 0.000 1.156 45 F HN 0.670 nan 8.300 nan 0.000 0.483 46 G N 2.463 110.599 108.800 -1.107 0.000 2.369 46 G HA2 0.345 4.305 3.960 -0.000 0.000 0.293 46 G HA3 0.345 4.305 3.960 -0.000 0.000 0.293 46 G C -0.785 173.799 174.900 -0.528 0.000 1.301 46 G CA -0.514 44.102 45.100 -0.807 0.000 0.913 46 G HN 1.049 nan 8.290 nan 0.000 0.540 47 G N -0.669 107.937 108.800 -0.325 0.000 2.298 47 G HA2 0.544 4.504 3.960 -0.000 0.000 0.263 47 G HA3 0.544 4.504 3.960 -0.000 0.000 0.263 47 G C 1.439 176.252 174.900 -0.144 0.000 1.229 47 G CA 1.808 46.788 45.100 -0.200 0.000 0.976 47 G HN 2.451 nan 8.290 nan 0.000 0.459 48 G N 1.760 110.489 108.800 -0.118 0.000 2.162 48 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 48 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 48 G C 0.872 175.734 174.900 -0.063 0.000 0.976 48 G CA 0.741 45.797 45.100 -0.073 0.000 0.655 48 G HN 0.717 nan 8.290 nan 0.000 0.533 49 K N -0.359 119.983 120.400 -0.096 0.000 2.731 49 K HA 0.562 4.882 4.320 -0.000 0.000 0.284 49 K C 1.970 178.567 176.600 -0.005 0.000 1.027 49 K CA 0.119 56.375 56.287 -0.052 0.000 1.040 49 K CB -0.405 32.045 32.500 -0.084 0.000 1.334 49 K HN 0.097 nan 8.250 nan 0.000 0.498 50 V N 0.663 120.601 119.914 0.039 0.000 2.407 50 V HA -0.058 4.062 4.120 -0.000 0.000 0.245 50 V C 1.397 177.534 176.094 0.072 0.000 1.041 50 V CA 1.046 63.383 62.300 0.062 0.000 1.040 50 V CB -0.304 31.573 31.823 0.089 0.000 0.671 50 V HN 0.437 nan 8.190 nan 0.000 0.455 51 I N 2.513 123.149 120.570 0.110 0.000 2.472 51 I HA 0.153 4.323 4.170 -0.000 0.000 0.305 51 I C 0.339 176.539 176.117 0.137 0.000 1.196 51 I CA 0.696 62.085 61.300 0.148 0.000 1.613 51 I CB -0.723 37.421 38.000 0.240 0.000 1.501 51 I HN 0.246 nan 8.210 nan 0.000 0.754 52 R N 2.474 123.022 120.500 0.080 0.000 2.740 52 R HA 0.260 4.600 4.340 -0.000 0.000 0.273 52 R C -0.899 175.428 176.300 0.045 0.000 0.998 52 R CA -1.208 54.928 56.100 0.060 0.000 0.900 52 R CB 1.723 32.041 30.300 0.029 0.000 1.223 52 R HN 0.234 nan 8.270 nan 0.000 0.466 53 D N 0.459 120.881 120.400 0.037 0.000 2.658 53 D HA 0.007 4.647 4.640 -0.000 0.000 0.230 53 D C 1.247 177.560 176.300 0.022 0.000 1.118 53 D CA 2.671 56.687 54.000 0.027 0.000 0.848 53 D CB 0.394 41.206 40.800 0.021 0.000 1.160 53 D HN 0.692 nan 8.370 nan 0.000 0.497 54 G N 2.683 111.495 108.800 0.020 0.000 2.267 54 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.257 54 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.257 54 G C 0.837 175.750 174.900 0.021 0.000 0.998 54 G CA 0.938 46.048 45.100 0.018 0.000 0.620 54 G HN 0.526 nan 8.290 nan 0.000 0.529 55 M N -0.658 118.958 119.600 0.026 0.000 2.109 55 M HA 0.471 4.950 4.480 -0.000 0.000 0.187 55 M C 2.476 178.798 176.300 0.035 0.000 1.503 55 M CA 0.953 56.270 55.300 0.030 0.000 1.645 55 M CB -0.361 32.257 32.600 0.030 0.000 0.970 55 M HN 0.131 nan 8.290 nan 0.000 0.772 56 G N 0.036 108.863 108.800 0.046 0.000 2.776 56 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.209 56 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.209 56 G C 0.371 175.300 174.900 0.049 0.000 1.145 56 G CA 0.169 45.300 45.100 0.052 0.000 0.791 56 G HN 0.473 nan 8.290 nan 0.000 0.530 57 Q N -0.014 119.812 119.800 0.044 0.000 2.333 57 Q HA 0.559 4.899 4.340 -0.000 0.000 0.267 57 Q C 0.195 176.209 176.000 0.023 0.000 1.012 57 Q CA -0.690 55.134 55.803 0.035 0.000 0.824 57 Q CB 1.690 30.454 28.738 0.044 0.000 1.290 57 Q HN 0.133 nan 8.270 nan 0.000 0.449 58 G N 1.267 110.076 108.800 0.015 0.000 2.532 58 G HA2 0.137 4.097 3.960 -0.000 0.000 0.291 58 G HA3 0.137 4.097 3.960 -0.000 0.000 0.291 58 G C -0.008 174.895 174.900 0.005 0.000 1.349 58 G CA -0.218 44.888 45.100 0.010 0.000 1.038 58 G HN 0.666 nan 8.290 nan 0.000 0.518 59 Q N -0.063 119.739 119.800 0.004 0.000 2.198 59 Q HA 0.109 4.449 4.340 -0.000 0.000 0.209 59 Q C 0.927 176.925 176.000 -0.003 0.000 0.848 59 Q CA -0.312 55.492 55.803 0.001 0.000 0.974 59 Q CB 0.306 29.046 28.738 0.003 0.000 1.115 59 Q HN 0.644 nan 8.270 nan 0.000 0.494 60 M N -0.807 118.789 119.600 -0.007 0.000 2.228 60 M HA 0.313 4.793 4.480 -0.000 0.000 0.326 60 M C -0.061 176.228 176.300 -0.017 0.000 1.122 60 M CA -0.261 55.033 55.300 -0.011 0.000 1.161 60 M CB 0.320 32.912 32.600 -0.013 0.000 1.437 60 M HN -0.092 nan 8.290 nan 0.000 0.465 61 L N 1.927 123.139 121.223 -0.017 0.000 2.475 61 L HA 0.291 4.631 4.340 -0.000 0.000 0.253 61 L C 1.908 178.759 176.870 -0.032 0.000 1.198 61 L CA -0.174 54.654 54.840 -0.021 0.000 0.814 61 L CB 0.343 42.393 42.059 -0.015 0.000 1.134 61 L HN 1.014 nan 8.230 nan 0.000 0.478 62 A N 1.340 124.139 122.820 -0.035 0.000 1.948 62 A HA -0.231 4.089 4.320 -0.000 0.000 0.220 62 A C 2.230 179.780 177.584 -0.057 0.000 1.177 62 A CA 2.086 54.094 52.037 -0.048 0.000 0.636 62 A CB -0.834 18.140 19.000 -0.042 0.000 0.815 62 A HN 0.898 nan 8.150 nan 0.000 0.449 63 A N -0.873 121.924 122.820 -0.039 0.000 2.067 63 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 63 A C 1.272 178.831 177.584 -0.041 0.000 1.158 63 A CA 1.524 53.542 52.037 -0.032 0.000 0.661 63 A CB -0.227 18.767 19.000 -0.010 0.000 0.801 63 A HN 0.456 nan 8.150 nan 0.000 0.452 64 D N -0.866 119.507 120.400 -0.046 0.000 2.368 64 D HA 0.206 4.846 4.640 -0.000 0.000 0.218 64 D C 0.201 176.451 176.300 -0.085 0.000 1.112 64 D CA 0.551 54.526 54.000 -0.042 0.000 0.834 64 D CB -0.061 40.730 40.800 -0.014 0.000 0.953 64 D HN 0.598 nan 8.370 nan 0.000 0.505 65 C N -1.312 117.904 119.300 -0.139 0.000 3.241 65 C HA 0.755 5.215 4.460 -0.000 0.000 0.312 65 C C 0.291 175.116 174.990 -0.276 0.000 1.350 65 C CA -1.205 57.703 59.018 -0.183 0.000 1.415 65 C CB 1.049 28.726 27.740 -0.105 0.000 1.770 65 C HN 0.008 nan 8.230 nan 0.000 0.466 66 V N 0.045 119.770 119.914 -0.316 0.000 3.003 66 V HA 0.402 4.522 4.120 -0.000 0.000 0.305 66 V C 0.582 176.577 176.094 -0.166 0.000 1.078 66 V CA 0.469 62.578 62.300 -0.318 0.000 1.083 66 V CB 0.639 32.293 31.823 -0.283 0.000 1.039 66 V HN 0.918 nan 8.190 nan 0.000 0.481 67 D N 0.700 121.025 120.400 -0.126 0.000 2.213 67 D HA 0.160 4.800 4.640 -0.000 0.000 0.205 67 D C 0.228 176.488 176.300 -0.068 0.000 0.961 67 D CA 1.252 55.203 54.000 -0.082 0.000 0.853 67 D CB 0.603 41.368 40.800 -0.057 0.000 0.967 67 D HN 0.508 nan 8.370 nan 0.000 0.496 68 L N 0.108 121.300 121.223 -0.052 0.000 2.445 68 L HA 0.490 4.830 4.340 -0.000 0.000 0.262 68 L C -1.674 175.187 176.870 -0.015 0.000 0.974 68 L CA -0.802 54.016 54.840 -0.036 0.000 0.822 68 L CB 2.683 44.732 42.059 -0.017 0.000 1.339 68 L HN -0.275 nan 8.230 nan 0.000 0.409 69 V N 5.455 125.361 119.914 -0.013 0.000 2.638 69 V HA 0.609 4.729 4.120 -0.000 0.000 0.306 69 V C -1.414 174.696 176.094 0.026 0.000 1.052 69 V CA -0.463 61.848 62.300 0.018 0.000 0.885 69 V CB 2.013 33.847 31.823 0.018 0.000 0.999 69 V HN 0.713 nan 8.190 nan 0.000 0.424 70 L N 6.538 127.793 121.223 0.054 0.000 2.262 70 L HA 0.525 4.865 4.340 -0.000 0.000 0.288 70 L C 0.712 177.630 176.870 0.080 0.000 1.035 70 L CA 0.106 54.983 54.840 0.061 0.000 0.820 70 L CB 1.641 43.744 42.059 0.074 0.000 1.204 70 L HN 0.858 nan 8.230 nan 0.000 0.424 71 T N -0.306 114.296 114.554 0.081 0.000 2.897 71 T HA 0.241 4.591 4.350 -0.000 0.000 0.294 71 T C 0.624 175.395 174.700 0.119 0.000 1.004 71 T CA -0.698 61.463 62.100 0.103 0.000 1.106 71 T CB 0.474 69.411 68.868 0.115 0.000 0.949 71 T HN 0.596 nan 8.240 nan 0.000 0.520 72 N N 0.008 118.787 118.700 0.132 0.000 2.714 72 N HA -0.163 4.577 4.740 -0.000 0.000 0.252 72 N C 0.017 175.609 175.510 0.137 0.000 1.014 72 N CA 0.874 54.014 53.050 0.150 0.000 0.735 72 N CB -1.685 36.916 38.487 0.190 0.000 0.924 72 N HN 1.116 nan 8.380 nan 0.000 0.540 73 A N 0.083 122.979 122.820 0.127 0.000 2.327 73 A HA 0.556 4.876 4.320 -0.000 0.000 0.283 73 A C 0.436 178.093 177.584 0.122 0.000 1.127 73 A CA -0.553 51.559 52.037 0.125 0.000 0.810 73 A CB 0.780 19.855 19.000 0.125 0.000 1.066 73 A HN 0.316 nan 8.150 nan 0.000 0.492 74 L N 4.076 125.367 121.223 0.112 0.000 2.272 74 L HA 0.462 4.802 4.340 -0.000 0.000 0.284 74 L C -0.515 176.396 176.870 0.068 0.000 1.045 74 L CA -0.170 54.721 54.840 0.084 0.000 0.842 74 L CB -0.174 41.924 42.059 0.066 0.000 1.224 74 L HN 0.550 nan 8.230 nan 0.000 0.430 75 I N 5.297 125.897 120.570 0.049 0.000 2.496 75 I HA 0.223 4.393 4.170 -0.000 0.000 0.285 75 I C -0.355 175.694 176.117 -0.113 0.000 1.080 75 I CA -0.404 60.898 61.300 0.003 0.000 1.404 75 I CB 1.139 39.144 38.000 0.008 0.000 1.403 75 I HN 0.245 nan 8.210 nan 0.000 0.539 76 V N 5.829 125.689 119.914 -0.090 0.000 2.349 76 V HA 0.416 4.536 4.120 -0.000 0.000 0.284 76 V C -0.560 175.436 176.094 -0.163 0.000 1.014 76 V CA -0.307 61.909 62.300 -0.140 0.000 0.826 76 V CB 1.485 33.258 31.823 -0.084 0.000 1.009 76 V HN 0.695 nan 8.190 nan 0.000 0.431 77 D N 0.864 121.023 120.400 -0.401 0.000 2.626 77 D HA 0.308 4.948 4.640 -0.000 0.000 0.278 77 D C 0.850 176.894 176.300 -0.427 0.000 1.211 77 D CA -0.413 53.315 54.000 -0.454 0.000 0.903 77 D CB 1.510 41.801 40.800 -0.849 0.000 1.408 77 D HN 0.676 nan 8.370 nan 0.000 0.454 78 H N -0.185 118.788 119.070 -0.161 0.000 2.457 78 H HA -0.050 4.506 4.556 -0.000 0.000 0.297 78 H C 1.424 176.860 175.328 0.181 0.000 1.092 78 H CA 1.805 57.890 56.048 0.062 0.000 1.309 78 H CB -0.318 29.517 29.762 0.121 0.000 1.382 78 H HN 0.504 nan 8.280 nan 0.000 0.535 79 W N 0.423 121.560 121.300 -0.271 0.000 3.077 79 W HA 0.586 5.246 4.660 -0.000 0.000 0.266 79 W C -0.117 176.415 176.519 0.023 0.000 1.300 79 W CA 0.173 57.478 57.345 -0.068 0.000 1.586 79 W CB 0.171 29.505 29.460 -0.211 0.000 1.103 79 W HN 0.390 nan 8.180 nan 0.000 0.652 80 G N 0.908 109.472 108.800 -0.393 0.000 2.338 80 G HA2 0.422 4.382 3.960 -0.000 0.000 0.295 80 G HA3 0.422 4.382 3.960 -0.000 0.000 0.295 80 G C -2.045 172.601 174.900 -0.424 0.000 1.461 80 G CA -1.053 43.913 45.100 -0.224 0.000 0.817 80 G HN 0.046 nan 8.290 nan 0.000 0.556 81 I N 1.545 122.008 120.570 -0.179 0.000 2.537 81 I HA 0.446 4.616 4.170 -0.000 0.000 0.276 81 I C 0.095 176.183 176.117 -0.048 0.000 1.063 81 I CA -0.917 60.297 61.300 -0.144 0.000 1.144 81 I CB 1.344 39.290 38.000 -0.089 0.000 1.252 81 I HN 0.547 nan 8.210 nan 0.000 0.480 82 V N 2.050 121.944 119.914 -0.034 0.000 3.001 82 V HA 0.668 4.788 4.120 -0.000 0.000 0.314 82 V C -0.639 175.505 176.094 0.084 0.000 1.099 82 V CA -1.042 61.298 62.300 0.066 0.000 0.989 82 V CB 2.230 34.149 31.823 0.161 0.000 1.040 82 V HN 0.504 nan 8.190 nan 0.000 0.434 83 K N 1.790 122.252 120.400 0.103 0.000 2.211 83 K HA 0.903 5.223 4.320 -0.000 0.000 0.275 83 K C -0.431 176.241 176.600 0.119 0.000 1.024 83 K CA 0.675 57.033 56.287 0.117 0.000 0.887 83 K CB 0.947 33.528 32.500 0.135 0.000 1.084 83 K HN 1.629 nan 8.250 nan 0.000 0.463 84 A N 3.152 126.047 122.820 0.126 0.000 2.544 84 A HA 0.414 4.734 4.320 -0.000 0.000 0.291 84 A C -1.767 175.889 177.584 0.120 0.000 1.055 84 A CA -0.948 51.160 52.037 0.118 0.000 0.651 84 A CB 0.770 19.853 19.000 0.138 0.000 1.296 84 A HN 0.655 nan 8.150 nan 0.000 0.431 85 D N 0.470 120.934 120.400 0.108 0.000 2.193 85 D HA 0.617 5.257 4.640 -0.000 0.000 0.249 85 D C -0.605 175.766 176.300 0.118 0.000 1.034 85 D CA 0.309 54.373 54.000 0.107 0.000 0.902 85 D CB 1.458 42.314 40.800 0.093 0.000 1.182 85 D HN 0.434 nan 8.370 nan 0.000 0.436 86 I N 0.803 121.444 120.570 0.119 0.000 2.406 86 I HA 0.394 4.564 4.170 -0.000 0.000 0.290 86 I C 0.682 176.876 176.117 0.128 0.000 0.999 86 I CA -0.780 60.599 61.300 0.132 0.000 1.124 86 I CB 2.114 40.196 38.000 0.136 0.000 1.289 86 I HN 0.202 nan 8.210 nan 0.000 0.441 87 G N 5.320 114.221 108.800 0.168 0.000 2.379 87 G HA2 0.625 4.585 3.960 -0.000 0.000 0.327 87 G HA3 0.625 4.585 3.960 -0.000 0.000 0.327 87 G C -1.019 174.000 174.900 0.198 0.000 1.145 87 G CA -0.355 44.850 45.100 0.176 0.000 0.905 87 G HN 0.336 nan 8.290 nan 0.000 0.466 88 V N 1.941 121.922 119.914 0.111 0.000 2.487 88 V HA 0.628 4.748 4.120 -0.000 0.000 0.298 88 V C -0.131 175.990 176.094 0.045 0.000 1.028 88 V CA -0.814 61.551 62.300 0.109 0.000 0.860 88 V CB 1.793 33.661 31.823 0.076 0.000 0.991 88 V HN 0.817 nan 8.190 nan 0.000 0.427 89 K N 3.038 123.489 120.400 0.084 0.000 2.513 89 K HA 0.425 4.745 4.320 -0.000 0.000 0.251 89 K C -0.719 175.925 176.600 0.073 0.000 0.939 89 K CA -0.472 55.824 56.287 0.015 0.000 0.793 89 K CB 1.428 33.870 32.500 -0.097 0.000 1.241 89 K HN 0.663 nan 8.250 nan 0.000 0.431 90 D N 3.025 123.455 120.400 0.050 0.000 2.945 90 D HA -0.179 4.461 4.640 -0.000 0.000 0.225 90 D C 0.594 176.952 176.300 0.097 0.000 1.158 90 D CA 1.875 55.922 54.000 0.079 0.000 0.805 90 D CB -1.146 39.704 40.800 0.083 0.000 1.098 90 D HN 1.105 nan 8.370 nan 0.000 0.426 91 G N -0.554 108.299 108.800 0.090 0.000 2.179 91 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 91 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 91 G C 0.350 175.302 174.900 0.086 0.000 0.977 91 G CA 0.683 45.838 45.100 0.092 0.000 0.641 91 G HN 0.539 nan 8.290 nan 0.000 0.533 92 R N -0.851 119.708 120.500 0.098 0.000 2.854 92 R HA 0.643 4.983 4.340 -0.000 0.000 0.271 92 R C 0.090 176.471 176.300 0.134 0.000 0.994 92 R CA -1.201 54.962 56.100 0.105 0.000 0.945 92 R CB 1.375 31.733 30.300 0.097 0.000 1.194 92 R HN 0.157 nan 8.270 nan 0.000 0.476 93 I N 2.514 123.159 120.570 0.125 0.000 2.581 93 I HA -0.083 4.087 4.170 -0.000 0.000 0.285 93 I C 0.957 177.164 176.117 0.150 0.000 1.129 93 I CA 0.355 61.738 61.300 0.138 0.000 1.397 93 I CB 0.175 38.244 38.000 0.114 0.000 1.399 93 I HN 0.605 nan 8.210 nan 0.000 0.537 94 F N 6.955 126.928 119.950 0.038 0.000 2.179 94 F HA 0.386 4.912 4.527 -0.000 0.000 0.292 94 F C 1.041 176.853 175.800 0.021 0.000 1.089 94 F CA 0.784 58.800 58.000 0.028 0.000 1.295 94 F CB 0.315 39.330 39.000 0.026 0.000 1.041 94 F HN 0.469 nan 8.300 nan 0.000 0.487 95 A N -0.290 122.580 122.820 0.082 0.000 2.601 95 A HA 0.600 4.920 4.320 -0.000 0.000 0.291 95 A C -1.658 175.973 177.584 0.078 0.000 1.075 95 A CA -0.594 51.423 52.037 -0.032 0.000 0.671 95 A CB 0.496 19.465 19.000 -0.051 0.000 1.277 95 A HN 0.100 nan 8.150 nan 0.000 0.417 96 I N 1.316 121.906 120.570 0.033 0.000 2.411 96 I HA 0.644 4.814 4.170 -0.000 0.000 0.284 96 I C 0.676 176.827 176.117 0.057 0.000 1.012 96 I CA 0.303 61.649 61.300 0.077 0.000 1.119 96 I CB 1.678 39.725 38.000 0.078 0.000 1.261 96 I HN 1.116 nan 8.210 nan 0.000 0.448 97 G N 5.402 114.250 108.800 0.079 0.000 2.637 97 G HA2 0.197 4.157 3.960 -0.000 0.000 0.112 97 G HA3 0.197 4.157 3.960 -0.000 0.000 0.112 97 G C -1.535 173.402 174.900 0.060 0.000 1.181 97 G CA -0.418 44.717 45.100 0.058 0.000 1.150 97 G HN 0.290 nan 8.290 nan 0.000 0.561 98 K N 1.196 121.626 120.400 0.050 0.000 2.394 98 K HA 0.714 5.034 4.320 -0.000 0.000 0.260 98 K C -0.290 176.344 176.600 0.056 0.000 0.967 98 K CA -0.248 56.064 56.287 0.043 0.000 0.855 98 K CB 1.144 33.655 32.500 0.018 0.000 1.101 98 K HN 0.765 nan 8.250 nan 0.000 0.433 99 A N 2.484 125.341 122.820 0.061 0.000 2.279 99 A HA 0.848 5.168 4.320 -0.000 0.000 0.303 99 A C 0.341 177.956 177.584 0.051 0.000 1.108 99 A CA 0.390 52.464 52.037 0.062 0.000 0.830 99 A CB 0.881 19.921 19.000 0.066 0.000 1.106 99 A HN 0.895 nan 8.150 nan 0.000 0.493 100 G N 0.164 108.991 108.800 0.045 0.000 2.356 100 G HA2 0.286 4.246 3.960 -0.000 0.000 0.266 100 G HA3 0.286 4.246 3.960 -0.000 0.000 0.266 100 G C -1.514 173.405 174.900 0.033 0.000 1.312 100 G CA -0.245 44.879 45.100 0.041 0.000 0.922 100 G HN 1.102 nan 8.290 nan 0.000 0.480 101 N N 0.859 119.578 118.700 0.031 0.000 2.479 101 N HA 0.610 5.350 4.740 -0.000 0.000 0.261 101 N C -1.688 173.836 175.510 0.023 0.000 0.979 101 N CA -2.293 50.772 53.050 0.025 0.000 0.930 101 N CB 2.479 40.980 38.487 0.025 0.000 1.172 101 N HN 0.018 nan 8.380 nan 0.000 0.499 102 P HA -0.048 nan 4.420 nan 0.000 0.223 102 P C 0.224 177.534 177.300 0.018 0.000 1.144 102 P CA 0.879 63.992 63.100 0.021 0.000 0.783 102 P CB 0.430 32.143 31.700 0.022 0.000 0.771 103 D N -0.833 119.577 120.400 0.017 0.000 2.178 103 D HA -0.096 4.544 4.640 -0.000 0.000 0.202 103 D C 1.680 177.990 176.300 0.016 0.000 0.974 103 D CA 1.174 55.183 54.000 0.015 0.000 0.841 103 D CB -0.139 40.670 40.800 0.014 0.000 0.953 103 D HN 0.357 nan 8.370 nan 0.000 0.478 104 I N -3.849 116.732 120.570 0.018 0.000 4.526 104 I HA 0.239 4.409 4.170 -0.000 0.000 0.330 104 I C 0.005 176.133 176.117 0.019 0.000 1.323 104 I CA -0.412 60.899 61.300 0.018 0.000 1.218 104 I CB 0.399 38.410 38.000 0.019 0.000 1.233 104 I HN -0.317 nan 8.210 nan 0.000 0.430 105 Q N 3.430 123.242 119.800 0.020 0.000 2.301 105 Q HA 0.568 4.908 4.340 -0.000 0.000 0.267 105 Q C -2.572 173.438 176.000 0.016 0.000 1.035 105 Q CA -1.988 53.827 55.803 0.019 0.000 0.856 105 Q CB 2.170 30.921 28.738 0.023 0.000 1.337 105 Q HN 0.104 nan 8.270 nan 0.000 0.450 106 P HA 0.184 nan 4.420 nan 0.000 0.285 106 P C -1.035 176.269 177.300 0.005 0.000 1.269 106 P CA -0.305 62.800 63.100 0.008 0.000 0.844 106 P CB 0.768 32.470 31.700 0.004 0.000 1.094 107 N N -1.890 116.813 118.700 0.005 0.000 2.714 107 N HA -0.131 4.609 4.740 -0.000 0.000 0.250 107 N C -0.356 175.162 175.510 0.013 0.000 1.117 107 N CA 0.203 53.255 53.050 0.004 0.000 0.719 107 N CB -1.666 36.815 38.487 -0.009 0.000 1.081 107 N HN 0.155 nan 8.380 nan 0.000 0.557 108 V N 1.005 120.932 119.914 0.021 0.000 2.470 108 V HA 0.123 4.243 4.120 -0.000 0.000 0.276 108 V C 1.684 177.806 176.094 0.046 0.000 1.040 108 V CA 1.071 63.391 62.300 0.034 0.000 1.008 108 V CB 1.131 32.975 31.823 0.035 0.000 0.990 108 V HN 0.487 nan 8.190 nan 0.000 0.477 109 T N 1.656 116.246 114.554 0.061 0.000 2.985 109 T HA 0.383 4.733 4.350 -0.000 0.000 0.254 109 T C 0.313 175.105 174.700 0.154 0.000 1.021 109 T CA 0.176 62.326 62.100 0.084 0.000 0.957 109 T CB 0.110 69.010 68.868 0.055 0.000 1.047 109 T HN 0.355 nan 8.240 nan 0.000 0.511 110 I N 3.851 124.501 120.570 0.133 0.000 2.537 110 I HA 0.356 4.526 4.170 -0.000 0.000 0.276 110 I C -2.708 173.450 176.117 0.068 0.000 1.063 110 I CA -2.696 58.696 61.300 0.153 0.000 1.144 110 I CB 1.934 40.024 38.000 0.150 0.000 1.252 110 I HN -0.065 nan 8.210 nan 0.000 0.480 111 P HA 0.203 nan 4.420 nan 0.000 0.271 111 P C -0.471 176.810 177.300 -0.032 0.000 1.226 111 P CA 0.222 63.322 63.100 0.000 0.000 0.765 111 P CB 1.125 32.821 31.700 -0.008 0.000 0.835 112 I N 2.912 123.476 120.570 -0.010 0.000 2.336 112 I HA 0.511 4.681 4.170 -0.000 0.000 0.292 112 I C 1.104 177.212 176.117 -0.015 0.000 0.991 112 I CA -0.079 61.212 61.300 -0.015 0.000 1.227 112 I CB 1.702 39.709 38.000 0.011 0.000 1.366 112 I HN 0.419 nan 8.210 nan 0.000 0.466 113 G N 2.954 111.737 108.800 -0.029 0.000 3.105 113 G HA2 0.542 4.502 3.960 -0.000 0.000 0.277 113 G HA3 0.542 4.502 3.960 -0.000 0.000 0.277 113 G C 0.564 175.451 174.900 -0.022 0.000 1.375 113 G CA 0.017 45.103 45.100 -0.023 0.000 0.962 113 G HN 0.609 nan 8.290 nan 0.000 0.541 114 A N -0.736 122.072 122.820 -0.019 0.000 1.978 114 A HA 0.213 4.533 4.320 -0.000 0.000 0.220 114 A C 2.319 179.883 177.584 -0.033 0.000 1.170 114 A CA 2.587 54.613 52.037 -0.019 0.000 0.636 114 A CB -0.613 18.378 19.000 -0.016 0.000 0.810 114 A HN 1.538 nan 8.150 nan 0.000 0.448 115 A N -0.760 122.034 122.820 -0.043 0.000 2.302 115 A HA 0.362 4.682 4.320 -0.000 0.000 0.219 115 A C 0.685 178.229 177.584 -0.066 0.000 1.243 115 A CA 0.521 52.525 52.037 -0.055 0.000 0.856 115 A CB -0.518 18.448 19.000 -0.057 0.000 0.893 115 A HN 0.274 nan 8.150 nan 0.000 0.491 116 T N 0.874 115.390 114.554 -0.064 0.000 2.767 116 T HA 0.424 4.774 4.350 -0.000 0.000 0.284 116 T C -0.280 174.364 174.700 -0.093 0.000 0.973 116 T CA -0.337 61.718 62.100 -0.074 0.000 0.996 116 T CB 1.490 70.320 68.868 -0.063 0.000 0.927 116 T HN 0.458 nan 8.240 nan 0.000 0.456 117 E N 2.414 122.553 120.200 -0.103 0.000 2.283 117 E HA 0.525 4.875 4.350 -0.000 0.000 0.267 117 E C -1.186 175.322 176.600 -0.153 0.000 1.045 117 E CA -0.636 55.680 56.400 -0.141 0.000 0.884 117 E CB 0.903 30.533 29.700 -0.116 0.000 1.106 117 E HN 0.322 nan 8.360 nan 0.000 0.408 118 V N 4.647 124.416 119.914 -0.240 0.000 2.588 118 V HA 0.446 4.566 4.120 -0.000 0.000 0.304 118 V C -0.299 175.689 176.094 -0.177 0.000 1.042 118 V CA -0.665 61.505 62.300 -0.217 0.000 0.877 118 V CB 1.586 33.215 31.823 -0.323 0.000 0.996 118 V HN 0.664 nan 8.190 nan 0.000 0.425 119 I N 3.592 124.117 120.570 -0.075 0.000 2.410 119 I HA 0.581 4.751 4.170 -0.000 0.000 0.286 119 I C 0.414 176.538 176.117 0.013 0.000 1.009 119 I CA -0.639 60.642 61.300 -0.033 0.000 1.111 119 I CB 1.852 39.845 38.000 -0.012 0.000 1.262 119 I HN 0.711 nan 8.210 nan 0.000 0.443 120 A N 5.128 127.969 122.820 0.034 0.000 2.376 120 A HA 0.582 4.902 4.320 -0.000 0.000 0.298 120 A C 0.792 178.415 177.584 0.064 0.000 1.271 120 A CA -0.123 51.956 52.037 0.070 0.000 0.926 120 A CB 0.320 19.376 19.000 0.094 0.000 1.141 120 A HN 0.884 nan 8.150 nan 0.000 0.539 121 A N 2.940 125.807 122.820 0.077 0.000 2.423 121 A HA 0.265 4.585 4.320 -0.000 0.000 0.246 121 A C 0.690 178.331 177.584 0.094 0.000 1.278 121 A CA -0.247 51.840 52.037 0.085 0.000 0.903 121 A CB -0.133 18.923 19.000 0.093 0.000 0.997 121 A HN 0.817 nan 8.150 nan 0.000 0.510 122 E N 0.148 120.401 120.200 0.089 0.000 2.415 122 E HA 0.300 4.650 4.350 -0.000 0.000 0.260 122 E C 0.801 177.441 176.600 0.068 0.000 1.016 122 E CA 0.535 56.987 56.400 0.087 0.000 0.924 122 E CB 0.089 29.828 29.700 0.066 0.000 0.961 122 E HN 0.904 nan 8.360 nan 0.000 0.459 123 G N 2.908 111.757 108.800 0.082 0.000 2.175 123 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.244 123 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.244 123 G C -0.023 174.932 174.900 0.092 0.000 0.982 123 G CA 0.178 45.322 45.100 0.074 0.000 0.641 123 G HN 0.476 nan 8.290 nan 0.000 0.527 124 K N -0.190 120.275 120.400 0.108 0.000 2.281 124 K HA 0.766 5.086 4.320 -0.000 0.000 0.242 124 K C -0.064 176.631 176.600 0.159 0.000 0.971 124 K CA -0.859 55.514 56.287 0.143 0.000 0.834 124 K CB 2.037 34.619 32.500 0.137 0.000 1.181 124 K HN 0.202 nan 8.250 nan 0.000 0.435 125 I N 1.379 122.089 120.570 0.232 0.000 2.404 125 I HA 0.273 4.443 4.170 -0.000 0.000 0.293 125 I C -0.496 175.850 176.117 0.383 0.000 0.992 125 I CA -1.087 60.363 61.300 0.249 0.000 1.149 125 I CB 1.881 40.009 38.000 0.214 0.000 1.315 125 I HN 0.010 nan 8.210 nan 0.000 0.446 126 V N 4.688 124.778 119.914 0.292 0.000 2.555 126 V HA 0.624 4.744 4.120 -0.000 0.000 0.302 126 V C 0.073 176.357 176.094 0.316 0.000 1.038 126 V CA -0.351 62.121 62.300 0.287 0.000 0.887 126 V CB 2.020 33.953 31.823 0.182 0.000 0.991 126 V HN 0.912 nan 8.190 nan 0.000 0.434 127 T N 1.370 116.154 114.554 0.384 0.000 2.865 127 T HA 0.868 5.218 4.350 -0.000 0.000 0.294 127 T C -0.141 174.738 174.700 0.298 0.000 1.119 127 T CA -0.340 61.984 62.100 0.374 0.000 1.007 127 T CB 1.905 71.124 68.868 0.585 0.000 1.225 127 T HN 1.003 nan 8.240 nan 0.000 0.515 128 A N 0.243 123.224 122.820 0.267 0.000 2.346 128 A HA 0.710 5.030 4.320 -0.000 0.000 0.252 128 A C 0.928 178.669 177.584 0.262 0.000 1.089 128 A CA -0.150 52.027 52.037 0.233 0.000 0.797 128 A CB -0.622 18.507 19.000 0.215 0.000 1.047 128 A HN 1.381 nan 8.150 nan 0.000 0.494 129 G N -0.378 108.550 108.800 0.214 0.000 2.432 129 G HA2 0.482 4.442 3.960 -0.000 0.000 0.257 129 G HA3 0.482 4.442 3.960 -0.000 0.000 0.257 129 G C 0.520 175.578 174.900 0.263 0.000 1.238 129 G CA 0.193 45.421 45.100 0.214 0.000 0.838 129 G HN 1.126 nan 8.290 nan 0.000 0.547 130 G N -0.431 108.556 108.800 0.313 0.000 2.594 130 G HA2 0.445 4.405 3.960 -0.000 0.000 0.243 130 G HA3 0.445 4.405 3.960 -0.000 0.000 0.243 130 G C -0.280 174.765 174.900 0.242 0.000 1.229 130 G CA -0.494 44.832 45.100 0.377 0.000 0.843 130 G HN 0.638 nan 8.290 nan 0.000 0.578 131 I N 1.001 121.711 120.570 0.234 0.000 2.468 131 I HA 0.167 4.337 4.170 -0.000 0.000 0.284 131 I C -1.256 174.938 176.117 0.129 0.000 1.038 131 I CA -0.700 60.693 61.300 0.156 0.000 1.083 131 I CB 2.071 40.149 38.000 0.130 0.000 1.223 131 I HN 0.310 nan 8.210 nan 0.000 0.443 132 D N 4.626 125.075 120.400 0.082 0.000 2.329 132 D HA 0.203 4.843 4.640 -0.000 0.000 0.232 132 D C 0.852 177.160 176.300 0.013 0.000 1.088 132 D CA -0.203 53.822 54.000 0.042 0.000 0.835 132 D CB 1.509 42.305 40.800 -0.008 0.000 1.078 132 D HN 0.602 nan 8.370 nan 0.000 0.495 133 T N 0.345 114.923 114.554 0.040 0.000 3.186 133 T HA 0.124 4.474 4.350 -0.000 0.000 0.257 133 T C 0.530 175.225 174.700 -0.008 0.000 1.029 133 T CA -0.155 61.944 62.100 -0.001 0.000 0.916 133 T CB -0.494 68.423 68.868 0.081 0.000 1.041 133 T HN 0.496 nan 8.240 nan 0.000 0.562 134 H N 0.650 119.584 119.070 -0.226 0.000 2.439 134 H HA 0.448 5.003 4.556 -0.000 0.000 0.230 134 H C -0.852 174.270 175.328 -0.344 0.000 1.420 134 H CA -0.954 54.816 56.048 -0.464 0.000 1.305 134 H CB -0.052 29.266 29.762 -0.740 0.000 1.667 134 H HN 0.190 nan 8.280 nan 0.000 0.515 135 I N 2.056 122.513 120.570 -0.188 0.000 2.385 135 I HA 0.151 4.321 4.170 -0.000 0.000 0.294 135 I C 0.248 176.107 176.117 -0.430 0.000 0.988 135 I CA -0.350 60.714 61.300 -0.394 0.000 1.265 135 I CB 1.230 38.758 38.000 -0.787 0.000 1.388 135 I HN 0.568 nan 8.210 nan 0.000 0.480 136 H N 5.297 124.169 119.070 -0.330 0.000 2.581 136 H HA 0.146 4.702 4.556 -0.000 0.000 0.308 136 H C -0.846 174.367 175.328 -0.191 0.000 1.040 136 H CA -0.350 55.603 56.048 -0.158 0.000 1.231 136 H CB 0.693 30.427 29.762 -0.046 0.000 1.396 136 H HN 0.544 nan 8.280 nan 0.000 0.467 137 W N 5.657 127.037 121.300 0.134 0.000 1.564 137 W HA 0.138 4.798 4.660 -0.000 0.000 0.480 137 W C 1.031 177.599 176.519 0.082 0.000 0.699 137 W CA -0.292 57.106 57.345 0.089 0.000 1.985 137 W CB -0.260 29.234 29.460 0.056 0.000 1.738 137 W HN 0.630 nan 8.180 nan 0.000 0.218 138 I N 1.319 122.046 120.570 0.261 0.000 2.584 138 I HA -0.057 4.113 4.170 -0.000 0.000 0.255 138 I C 1.050 177.274 176.117 0.178 0.000 1.145 138 I CA 0.597 62.013 61.300 0.192 0.000 1.462 138 I CB -0.103 38.002 38.000 0.176 0.000 1.102 138 I HN 0.249 nan 8.210 nan 0.000 0.433 139 C N -2.115 117.308 119.300 0.205 0.000 3.239 139 C HA 0.391 4.851 4.460 -0.000 0.000 0.329 139 C C -1.984 173.137 174.990 0.218 0.000 1.252 139 C CA -1.355 57.764 59.018 0.169 0.000 1.323 139 C CB 1.284 29.093 27.740 0.114 0.000 1.663 139 C HN -0.043 nan 8.230 nan 0.000 0.487 140 P HA -0.049 nan 4.420 nan 0.000 0.229 140 P C 1.037 178.427 177.300 0.149 0.000 1.160 140 P CA 1.434 64.625 63.100 0.153 0.000 0.777 140 P CB 0.237 31.976 31.700 0.065 0.000 0.814 141 Q N 0.162 120.031 119.800 0.115 0.000 2.291 141 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 141 Q C 2.358 178.414 176.000 0.094 0.000 0.976 141 Q CA 1.260 57.114 55.803 0.086 0.000 0.875 141 Q CB -0.804 27.969 28.738 0.058 0.000 0.927 141 Q HN 0.437 nan 8.270 nan 0.000 0.450 142 Q N -0.490 119.388 119.800 0.129 0.000 2.181 142 Q HA -0.145 4.195 4.340 -0.000 0.000 0.205 142 Q C 1.997 178.069 176.000 0.119 0.000 0.980 142 Q CA 1.221 57.083 55.803 0.099 0.000 0.862 142 Q CB -0.207 28.581 28.738 0.083 0.000 0.905 142 Q HN 0.490 nan 8.270 nan 0.000 0.429 143 A N 1.123 124.068 122.820 0.208 0.000 1.902 143 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 143 A C 1.892 179.538 177.584 0.103 0.000 1.181 143 A CA 1.632 53.787 52.037 0.198 0.000 0.623 143 A CB -0.458 18.679 19.000 0.228 0.000 0.818 143 A HN 0.425 nan 8.150 nan 0.000 0.443 144 E N -0.652 119.594 120.200 0.077 0.000 2.106 144 E HA -0.224 4.125 4.350 -0.000 0.000 0.192 144 E C 1.955 178.561 176.600 0.011 0.000 0.984 144 E CA 1.268 57.693 56.400 0.042 0.000 0.806 144 E CB -0.081 29.645 29.700 0.042 0.000 0.750 144 E HN 0.585 nan 8.360 nan 0.000 0.458 145 E N 0.346 120.553 120.200 0.012 0.000 2.051 145 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 145 E C 1.746 178.326 176.600 -0.034 0.000 0.991 145 E CA 1.532 57.921 56.400 -0.018 0.000 0.799 145 E CB -0.275 29.418 29.700 -0.012 0.000 0.748 145 E HN 0.350 nan 8.360 nan 0.000 0.449 146 A N 0.195 123.009 122.820 -0.009 0.000 1.898 146 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 146 A C 2.187 179.766 177.584 -0.008 0.000 1.181 146 A CA 1.417 53.448 52.037 -0.009 0.000 0.620 146 A CB -0.802 18.205 19.000 0.012 0.000 0.819 146 A HN 0.357 nan 8.150 nan 0.000 0.442 147 L N -0.016 121.209 121.223 0.004 0.000 2.012 147 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 147 L C 2.391 179.220 176.870 -0.069 0.000 1.073 147 L CA 1.882 56.720 54.840 -0.004 0.000 0.748 147 L CB -0.486 41.584 42.059 0.017 0.000 0.891 147 L HN 0.157 nan 8.230 nan 0.000 0.431 148 V N -0.396 119.443 119.914 -0.125 0.000 2.469 148 V HA -0.259 3.861 4.120 -0.000 0.000 0.251 148 V C 2.664 178.583 176.094 -0.291 0.000 1.064 148 V CA 1.717 63.829 62.300 -0.313 0.000 1.066 148 V CB -0.848 30.715 31.823 -0.433 0.000 0.667 148 V HN 0.776 nan 8.190 nan 0.000 0.461 149 S N -0.360 115.259 115.700 -0.135 0.000 2.489 149 S HA 0.206 4.676 4.470 -0.000 0.000 0.228 149 S C 1.554 176.184 174.600 0.049 0.000 0.995 149 S CA 0.946 59.127 58.200 -0.033 0.000 0.934 149 S CB 0.571 63.761 63.200 -0.017 0.000 0.771 149 S HN 1.192 nan 8.310 nan 0.000 0.522 150 G N -0.222 108.566 108.800 -0.019 0.000 2.159 150 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.170 150 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.170 150 G C -0.195 174.763 174.900 0.097 0.000 1.007 150 G CA -0.183 44.927 45.100 0.015 0.000 0.672 150 G HN 0.600 nan 8.290 nan 0.000 0.507 151 V N 2.028 121.980 119.914 0.064 0.000 2.370 151 V HA 0.567 4.687 4.120 -0.000 0.000 0.279 151 V C 1.433 177.582 176.094 0.092 0.000 1.029 151 V CA 0.716 63.071 62.300 0.092 0.000 0.870 151 V CB 1.358 33.214 31.823 0.054 0.000 0.984 151 V HN 0.606 nan 8.190 nan 0.000 0.451 152 T N -0.180 114.447 114.554 0.122 0.000 3.023 152 T HA 0.155 4.505 4.350 -0.000 0.000 0.253 152 T C 0.610 175.400 174.700 0.149 0.000 1.038 152 T CA -0.028 62.144 62.100 0.120 0.000 0.962 152 T CB 0.274 69.210 68.868 0.113 0.000 1.018 152 T HN 0.529 nan 8.240 nan 0.000 0.521 153 T N 2.327 116.980 114.554 0.165 0.000 2.881 153 T HA 0.681 5.031 4.350 -0.000 0.000 0.290 153 T C -1.030 173.774 174.700 0.174 0.000 1.000 153 T CA -0.565 61.657 62.100 0.203 0.000 0.978 153 T CB 1.756 70.755 68.868 0.217 0.000 0.997 153 T HN 0.191 nan 8.240 nan 0.000 0.443 154 M N 3.127 122.860 119.600 0.222 0.000 2.197 154 M HA 0.547 5.027 4.480 -0.000 0.000 0.301 154 M C -1.171 175.267 176.300 0.231 0.000 0.987 154 M CA -0.842 54.566 55.300 0.181 0.000 0.921 154 M CB 2.251 34.984 32.600 0.221 0.000 1.569 154 M HN 0.239 nan 8.290 nan 0.000 0.431 155 V N 2.500 122.458 119.914 0.073 0.000 2.495 155 V HA 1.008 5.128 4.120 -0.000 0.000 0.298 155 V C 0.223 176.303 176.094 -0.023 0.000 1.031 155 V CA -0.187 62.142 62.300 0.048 0.000 0.871 155 V CB 1.623 33.357 31.823 -0.148 0.000 0.988 155 V HN 1.073 nan 8.190 nan 0.000 0.432 156 G N 2.917 111.763 108.800 0.078 0.000 2.335 156 G HA2 0.674 4.634 3.960 -0.000 0.000 0.291 156 G HA3 0.674 4.634 3.960 -0.000 0.000 0.291 156 G C -0.627 174.372 174.900 0.165 0.000 1.261 156 G CA 0.141 45.223 45.100 -0.029 0.000 0.871 156 G HN 1.126 nan 8.290 nan 0.000 0.491 157 G N -2.082 106.780 108.800 0.103 0.000 2.692 157 G HA2 0.993 4.953 3.960 -0.000 0.000 0.291 157 G HA3 0.993 4.953 3.960 -0.000 0.000 0.291 157 G C -0.248 174.831 174.900 0.299 0.000 1.423 157 G CA 0.395 45.669 45.100 0.289 0.000 0.843 157 G HN 2.262 nan 8.290 nan 0.000 0.486 158 G N -1.774 107.214 108.800 0.314 0.000 2.352 158 G HA2 0.528 4.488 3.960 -0.000 0.000 0.302 158 G HA3 0.528 4.488 3.960 -0.000 0.000 0.302 158 G C 0.101 175.091 174.900 0.149 0.000 1.370 158 G CA 0.921 46.164 45.100 0.238 0.000 0.918 158 G HN 1.781 nan 8.290 nan 0.000 0.610 159 T N -2.992 111.585 114.554 0.038 0.000 3.192 159 T HA 0.645 4.995 4.350 -0.000 0.000 0.295 159 T C 1.220 175.927 174.700 0.012 0.000 0.947 159 T CA 1.251 63.319 62.100 -0.054 0.000 0.916 159 T CB 0.424 69.025 68.868 -0.445 0.000 1.169 159 T HN 2.734 nan 8.240 nan 0.000 0.540 160 G N 2.415 111.249 108.800 0.057 0.000 2.298 160 G HA2 0.164 4.124 3.960 -0.000 0.000 0.309 160 G HA3 0.164 4.124 3.960 -0.000 0.000 0.309 160 G C -2.959 171.933 174.900 -0.013 0.000 1.279 160 G CA -0.420 44.715 45.100 0.060 0.000 1.042 160 G HN 0.066 nan 8.290 nan 0.000 0.480 161 P HA 0.478 nan 4.420 nan 0.000 0.226 161 P C 0.043 177.136 177.300 -0.345 0.000 1.783 161 P CA 0.979 64.013 63.100 -0.110 0.000 0.980 161 P CB 0.068 31.846 31.700 0.130 0.000 1.967 162 A N 1.221 123.773 122.820 -0.448 0.000 2.320 162 A HA 0.639 4.959 4.320 -0.000 0.000 0.334 162 A C 1.592 178.916 177.584 -0.434 0.000 1.147 162 A CA -0.208 51.643 52.037 -0.310 0.000 0.820 162 A CB 1.118 20.024 19.000 -0.156 0.000 1.218 162 A HN 0.229 nan 8.150 nan 0.000 0.482 163 A N 1.697 124.396 122.820 -0.202 0.000 1.927 163 A HA -0.029 4.291 4.320 -0.000 0.000 0.220 163 A C 2.180 179.789 177.584 0.041 0.000 1.185 163 A CA 2.703 54.678 52.037 -0.103 0.000 0.639 163 A CB -1.300 17.484 19.000 -0.359 0.000 0.820 163 A HN 1.560 nan 8.150 nan 0.000 0.451 164 G N -1.508 107.293 108.800 0.000 0.000 2.440 164 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 164 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 164 G C 1.556 176.559 174.900 0.171 0.000 1.154 164 G CA 1.658 46.828 45.100 0.117 0.000 0.767 164 G HN 0.454 nan 8.290 nan 0.000 0.552 165 T N -0.019 114.594 114.554 0.099 0.000 2.904 165 T HA -0.010 4.340 4.350 -0.000 0.000 0.267 165 T C 2.101 176.935 174.700 0.222 0.000 1.059 165 T CA 0.920 63.114 62.100 0.157 0.000 1.137 165 T CB -0.254 68.654 68.868 0.066 0.000 0.879 165 T HN 0.282 nan 8.240 nan 0.000 0.467 166 H N 1.207 120.347 119.070 0.116 0.000 2.387 166 H HA 0.127 4.683 4.556 -0.000 0.000 0.299 166 H C 2.402 177.626 175.328 -0.174 0.000 1.099 166 H CA 1.315 57.350 56.048 -0.022 0.000 1.315 166 H CB -0.423 29.388 29.762 0.081 0.000 1.380 166 H HN 0.423 nan 8.280 nan 0.000 0.513 167 A N 0.087 122.963 122.820 0.092 0.000 1.997 167 A HA 0.085 4.405 4.320 -0.000 0.000 0.212 167 A C 1.323 178.949 177.584 0.070 0.000 1.178 167 A CA 1.030 53.050 52.037 -0.028 0.000 0.698 167 A CB 0.022 18.993 19.000 -0.048 0.000 0.842 167 A HN 0.455 nan 8.150 nan 0.000 0.458 168 T N -2.815 111.825 114.554 0.143 0.000 2.916 168 T HA 0.468 4.818 4.350 -0.000 0.000 0.292 168 T C -0.179 174.603 174.700 0.138 0.000 1.055 168 T CA 0.202 62.350 62.100 0.080 0.000 1.009 168 T CB 1.388 70.229 68.868 -0.046 0.000 1.118 168 T HN 0.303 nan 8.240 nan 0.000 0.497 169 T N 0.030 114.554 114.554 -0.049 0.000 3.855 169 T HA 0.490 4.840 4.350 -0.000 0.000 0.306 169 T C -0.064 174.673 174.700 0.062 0.000 1.575 169 T CA -0.691 61.318 62.100 -0.152 0.000 1.214 169 T CB -1.840 66.921 68.868 -0.180 0.000 1.262 169 T HN 0.708 nan 8.240 nan 0.000 0.883 170 C N 1.829 121.203 119.300 0.122 0.000 2.482 170 C HA 0.622 5.082 4.460 -0.000 0.000 0.317 170 C C 0.510 175.549 174.990 0.082 0.000 1.197 170 C CA -0.827 58.249 59.018 0.098 0.000 1.432 170 C CB 1.332 29.118 27.740 0.076 0.000 2.062 170 C HN 0.687 nan 8.230 nan 0.000 0.471 171 T N 4.525 119.120 114.554 0.068 0.000 3.029 171 T HA 0.298 4.648 4.350 -0.000 0.000 0.346 171 T C -2.677 172.050 174.700 0.046 0.000 1.211 171 T CA -0.741 61.400 62.100 0.069 0.000 1.009 171 T CB 0.272 69.205 68.868 0.107 0.000 1.084 171 T HN 0.424 nan 8.240 nan 0.000 0.536 172 P HA 0.353 nan 4.420 nan 0.000 0.270 172 P C 0.731 178.107 177.300 0.126 0.000 1.242 172 P CA 0.714 63.810 63.100 -0.007 0.000 0.768 172 P CB 0.236 31.892 31.700 -0.074 0.000 0.820 173 G N 5.340 114.180 108.800 0.066 0.000 2.856 173 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.674 173 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.674 173 G C -1.972 173.006 174.900 0.130 0.000 1.519 173 G CA -0.777 44.381 45.100 0.096 0.000 0.940 173 G HN 0.269 nan 8.290 nan 0.000 0.564 174 P HA -0.151 nan 4.420 nan 0.000 0.216 174 P C 1.666 179.026 177.300 0.099 0.000 1.157 174 P CA 2.250 65.400 63.100 0.084 0.000 0.880 174 P CB -0.012 31.731 31.700 0.073 0.000 0.791 175 W N -1.011 120.263 121.300 -0.043 0.000 2.354 175 W HA -0.194 4.466 4.660 -0.000 0.000 0.315 175 W C 2.349 178.794 176.519 -0.123 0.000 1.206 175 W CA 1.529 58.802 57.345 -0.119 0.000 1.290 175 W CB -1.174 28.160 29.460 -0.211 0.000 1.152 175 W HN -0.063 nan 8.180 nan 0.000 0.489 176 Y N -0.187 120.249 120.300 0.227 0.000 2.242 176 Y HA -0.217 4.333 4.550 -0.000 0.000 0.291 176 Y C 2.377 178.242 175.900 -0.058 0.000 1.137 176 Y CA 1.607 59.751 58.100 0.073 0.000 1.181 176 Y CB -0.479 38.082 38.460 0.168 0.000 0.989 176 Y HN -0.107 nan 8.280 nan 0.000 0.527 177 I N -1.019 119.625 120.570 0.123 0.000 2.179 177 I HA -0.349 3.821 4.170 -0.000 0.000 0.242 177 I C 2.333 178.420 176.117 -0.051 0.000 1.088 177 I CA 1.401 62.725 61.300 0.040 0.000 1.357 177 I CB -0.452 37.574 38.000 0.044 0.000 1.051 177 I HN 0.081 nan 8.210 nan 0.000 0.409 178 S N 0.283 115.915 115.700 -0.112 0.000 2.356 178 S HA -0.209 4.261 4.470 -0.000 0.000 0.223 178 S C 2.081 176.532 174.600 -0.248 0.000 1.032 178 S CA 1.308 59.400 58.200 -0.180 0.000 1.005 178 S CB -0.289 62.775 63.200 -0.228 0.000 0.867 178 S HN 0.265 nan 8.310 nan 0.000 0.449 179 R N 0.923 121.202 120.500 -0.368 0.000 2.081 179 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 179 R C 2.261 178.437 176.300 -0.207 0.000 1.131 179 R CA 1.295 57.168 56.100 -0.379 0.000 0.960 179 R CB -0.350 29.618 30.300 -0.553 0.000 0.856 179 R HN 0.310 nan 8.270 nan 0.000 0.436 180 M N -0.323 119.194 119.600 -0.138 0.000 2.254 180 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 180 M C 2.040 178.236 176.300 -0.173 0.000 1.066 180 M CA 1.236 56.447 55.300 -0.147 0.000 1.123 180 M CB -0.564 31.966 32.600 -0.115 0.000 1.388 180 M HN 0.162 nan 8.290 nan 0.000 0.425 181 L N -0.340 120.801 121.223 -0.136 0.000 2.093 181 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 181 L C 2.518 179.306 176.870 -0.137 0.000 1.085 181 L CA 1.157 55.925 54.840 -0.121 0.000 0.755 181 L CB -0.498 41.507 42.059 -0.090 0.000 0.904 181 L HN 0.399 nan 8.230 nan 0.000 0.435 182 Q N -0.396 119.315 119.800 -0.149 0.000 2.079 182 Q HA -0.143 4.197 4.340 -0.000 0.000 0.200 182 Q C 2.440 178.361 176.000 -0.131 0.000 0.974 182 Q CA 1.458 57.176 55.803 -0.142 0.000 0.840 182 Q CB -0.203 28.444 28.738 -0.152 0.000 0.898 182 Q HN 0.538 nan 8.270 nan 0.000 0.430 183 A N 1.198 123.933 122.820 -0.143 0.000 1.969 183 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 183 A C 2.304 179.798 177.584 -0.150 0.000 1.169 183 A CA 1.362 53.319 52.037 -0.133 0.000 0.635 183 A CB -0.664 18.248 19.000 -0.147 0.000 0.810 183 A HN 0.383 nan 8.150 nan 0.000 0.445 184 A N 0.107 122.813 122.820 -0.190 0.000 1.978 184 A HA -0.224 4.096 4.320 -0.000 0.000 0.220 184 A C 1.674 179.200 177.584 -0.098 0.000 1.170 184 A CA 1.896 53.818 52.037 -0.192 0.000 0.636 184 A CB -0.579 18.305 19.000 -0.193 0.000 0.810 184 A HN 0.448 nan 8.150 nan 0.000 0.448 185 D N -0.204 120.151 120.400 -0.076 0.000 2.265 185 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 185 D C 1.840 178.212 176.300 0.119 0.000 0.977 185 D CA 1.333 55.329 54.000 -0.007 0.000 0.871 185 D CB -0.116 40.611 40.800 -0.122 0.000 0.925 185 D HN 0.403 nan 8.370 nan 0.000 0.485 186 S N -0.439 115.286 115.700 0.041 0.000 2.527 186 S HA 0.097 4.566 4.470 -0.000 0.000 0.222 186 S C 0.945 175.554 174.600 0.014 0.000 0.985 186 S CA -0.016 58.208 58.200 0.040 0.000 0.921 186 S CB 0.461 63.665 63.200 0.006 0.000 0.772 186 S HN 0.184 nan 8.310 nan 0.000 0.529 187 L N 2.856 124.078 121.223 -0.002 0.000 2.309 187 L HA 0.334 4.674 4.340 -0.000 0.000 0.282 187 L C -1.787 175.103 176.870 0.033 0.000 1.036 187 L CA -2.143 52.701 54.840 0.007 0.000 0.806 187 L CB 1.018 43.060 42.059 -0.027 0.000 1.220 187 L HN -0.142 nan 8.230 nan 0.000 0.429 188 P HA -0.013 nan 4.420 nan 0.000 0.258 188 P C -0.247 177.092 177.300 0.065 0.000 1.319 188 P CA 0.375 63.503 63.100 0.046 0.000 0.785 188 P CB -0.089 31.632 31.700 0.036 0.000 1.252 189 V N -3.675 116.290 119.914 0.086 0.000 3.074 189 V HA 0.552 4.672 4.120 -0.000 0.000 0.314 189 V C -0.159 176.004 176.094 0.115 0.000 1.117 189 V CA -1.429 60.940 62.300 0.116 0.000 1.014 189 V CB 1.640 33.564 31.823 0.169 0.000 1.057 189 V HN -0.196 nan 8.190 nan 0.000 0.438 190 N N 1.489 120.274 118.700 0.142 0.000 2.530 190 N HA 0.599 5.339 4.740 -0.000 0.000 0.273 190 N C -0.774 174.887 175.510 0.250 0.000 1.173 190 N CA 0.084 53.220 53.050 0.143 0.000 0.967 190 N CB 1.428 40.057 38.487 0.237 0.000 1.109 190 N HN 0.719 nan 8.380 nan 0.000 0.453 191 I N -0.191 120.516 120.570 0.228 0.000 2.686 191 I HA 0.491 4.661 4.170 -0.000 0.000 0.295 191 I C 0.185 176.532 176.117 0.382 0.000 1.114 191 I CA -0.858 60.624 61.300 0.303 0.000 1.038 191 I CB 2.511 40.597 38.000 0.143 0.000 1.238 191 I HN 0.431 nan 8.210 nan 0.000 0.420 192 G N 5.665 114.690 108.800 0.375 0.000 2.638 192 G HA2 0.731 4.691 3.960 -0.000 0.000 0.302 192 G HA3 0.731 4.691 3.960 -0.000 0.000 0.302 192 G C -1.429 173.620 174.900 0.249 0.000 1.365 192 G CA -0.468 44.818 45.100 0.310 0.000 0.987 192 G HN 0.378 nan 8.290 nan 0.000 0.495 193 L N 1.116 122.455 121.223 0.194 0.000 2.334 193 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 193 L C -0.248 176.708 176.870 0.143 0.000 1.020 193 L CA -0.943 54.011 54.840 0.191 0.000 0.812 193 L CB 1.977 44.117 42.059 0.135 0.000 1.264 193 L HN 0.200 nan 8.230 nan 0.000 0.439 194 L N 1.134 122.440 121.223 0.139 0.000 2.329 194 L HA 0.630 4.970 4.340 -0.000 0.000 0.279 194 L C 0.443 177.358 176.870 0.075 0.000 1.014 194 L CA -0.481 54.416 54.840 0.095 0.000 0.814 194 L CB 1.758 43.868 42.059 0.085 0.000 1.257 194 L HN 0.667 nan 8.230 nan 0.000 0.424 195 G N 1.202 110.027 108.800 0.042 0.000 2.531 195 G HA2 0.286 4.246 3.960 -0.000 0.000 0.313 195 G HA3 0.286 4.246 3.960 -0.000 0.000 0.313 195 G C -0.911 173.971 174.900 -0.030 0.000 1.238 195 G CA -0.575 44.532 45.100 0.012 0.000 0.994 195 G HN 0.524 nan 8.290 nan 0.000 0.493 196 K N 0.162 120.503 120.400 -0.098 0.000 2.310 196 K HA 0.272 4.592 4.320 -0.000 0.000 0.290 196 K C 1.067 177.581 176.600 -0.142 0.000 1.077 196 K CA -0.057 56.111 56.287 -0.198 0.000 0.922 196 K CB 0.433 32.673 32.500 -0.434 0.000 1.057 196 K HN 0.453 nan 8.250 nan 0.000 0.479 197 G N 3.532 112.282 108.800 -0.083 0.000 2.985 197 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.209 197 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.209 197 G C -0.021 174.853 174.900 -0.043 0.000 1.165 197 G CA -0.294 44.775 45.100 -0.053 0.000 0.776 197 G HN 0.615 nan 8.290 nan 0.000 0.541 198 N N 0.783 119.447 118.700 -0.060 0.000 2.807 198 N HA 0.421 5.161 4.740 -0.000 0.000 0.259 198 N C -0.938 174.555 175.510 -0.028 0.000 1.149 198 N CA 0.079 53.124 53.050 -0.009 0.000 1.042 198 N CB 1.298 39.833 38.487 0.081 0.000 1.367 198 N HN 0.030 nan 8.380 nan 0.000 0.516 199 V N -0.987 118.914 119.914 -0.023 0.000 3.120 199 V HA 0.348 4.468 4.120 -0.000 0.000 0.303 199 V C 0.215 176.302 176.094 -0.012 0.000 1.238 199 V CA -0.951 61.336 62.300 -0.021 0.000 1.008 199 V CB 2.095 33.896 31.823 -0.037 0.000 1.064 199 V HN 0.229 nan 8.190 nan 0.000 0.434 200 S N 0.866 116.562 115.700 -0.007 0.000 2.574 200 S HA 0.196 4.666 4.470 -0.000 0.000 0.242 200 S C 0.119 174.715 174.600 -0.008 0.000 0.982 200 S CA -0.009 58.187 58.200 -0.006 0.000 0.977 200 S CB -0.071 63.128 63.200 -0.002 0.000 0.814 200 S HN 0.796 nan 8.310 nan 0.000 0.464 201 Q N 1.569 121.362 119.800 -0.011 0.000 2.363 201 Q HA 0.422 4.762 4.340 -0.000 0.000 0.265 201 Q C -2.466 173.526 176.000 -0.013 0.000 1.032 201 Q CA -2.128 53.668 55.803 -0.011 0.000 0.746 201 Q CB 1.480 30.211 28.738 -0.011 0.000 1.237 201 Q HN -0.089 nan 8.270 nan 0.000 0.475 202 P HA -0.187 nan 4.420 nan 0.000 0.216 202 P C 0.238 177.532 177.300 -0.011 0.000 1.157 202 P CA 1.381 64.474 63.100 -0.012 0.000 0.880 202 P CB 0.368 32.062 31.700 -0.010 0.000 0.791 203 D N -0.806 119.588 120.400 -0.010 0.000 2.182 203 D HA -0.138 4.502 4.640 -0.000 0.000 0.201 203 D C 1.915 178.209 176.300 -0.010 0.000 0.986 203 D CA 1.561 55.556 54.000 -0.008 0.000 0.847 203 D CB -0.620 40.176 40.800 -0.007 0.000 0.942 203 D HN 0.118 nan 8.370 nan 0.000 0.467 204 A N 0.225 123.037 122.820 -0.014 0.000 2.067 204 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 204 A C 2.316 179.887 177.584 -0.021 0.000 1.158 204 A CA 0.670 52.696 52.037 -0.018 0.000 0.661 204 A CB -0.369 18.616 19.000 -0.026 0.000 0.801 204 A HN 0.200 nan 8.150 nan 0.000 0.452 205 L N -1.649 119.562 121.223 -0.020 0.000 2.145 205 L HA -0.020 4.320 4.340 -0.000 0.000 0.201 205 L C 2.713 179.577 176.870 -0.010 0.000 1.075 205 L CA 0.672 55.500 54.840 -0.020 0.000 0.773 205 L CB -0.477 41.570 42.059 -0.021 0.000 0.936 205 L HN 0.285 nan 8.230 nan 0.000 0.451 206 R N 0.407 120.903 120.500 -0.008 0.000 2.105 206 R HA -0.192 4.148 4.340 -0.000 0.000 0.239 206 R C 2.086 178.387 176.300 0.001 0.000 1.135 206 R CA 1.402 57.500 56.100 -0.003 0.000 0.967 206 R CB -0.288 30.010 30.300 -0.003 0.000 0.861 206 R HN 0.443 nan 8.270 nan 0.000 0.442 207 E N 0.701 120.901 120.200 0.000 0.000 2.051 207 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 207 E C 2.155 178.760 176.600 0.009 0.000 0.991 207 E CA 1.236 57.639 56.400 0.005 0.000 0.799 207 E CB 0.021 29.724 29.700 0.005 0.000 0.748 207 E HN 0.422 nan 8.360 nan 0.000 0.449 208 Q N 0.098 119.902 119.800 0.007 0.000 2.084 208 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 208 Q C 2.383 178.392 176.000 0.016 0.000 0.978 208 Q CA 1.324 57.134 55.803 0.012 0.000 0.844 208 Q CB 0.051 28.790 28.738 0.002 0.000 0.898 208 Q HN 0.174 nan 8.270 nan 0.000 0.426 209 V N 0.952 120.874 119.914 0.013 0.000 2.358 209 V HA -0.238 3.882 4.120 -0.000 0.000 0.246 209 V C 2.269 178.375 176.094 0.019 0.000 1.047 209 V CA 1.759 64.070 62.300 0.018 0.000 1.035 209 V CB -0.979 30.852 31.823 0.013 0.000 0.658 209 V HN 0.365 nan 8.190 nan 0.000 0.452 210 A N 0.013 122.841 122.820 0.013 0.000 2.019 210 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 210 A C 2.314 179.904 177.584 0.011 0.000 1.164 210 A CA 1.795 53.839 52.037 0.011 0.000 0.644 210 A CB -0.560 18.445 19.000 0.008 0.000 0.805 210 A HN 0.575 nan 8.150 nan 0.000 0.449 211 A N -2.152 120.676 122.820 0.013 0.000 2.067 211 A HA 0.392 4.711 4.320 -0.000 0.000 0.217 211 A C 1.759 179.349 177.584 0.009 0.000 1.156 211 A CA 1.673 53.716 52.037 0.009 0.000 0.683 211 A CB -0.401 18.608 19.000 0.015 0.000 0.808 211 A HN 1.610 nan 8.150 nan 0.000 0.455 212 G N -1.803 107.009 108.800 0.021 0.000 2.935 212 G HA2 0.034 3.994 3.960 -0.000 0.000 0.213 212 G HA3 0.034 3.994 3.960 -0.000 0.000 0.213 212 G C 0.319 175.250 174.900 0.051 0.000 0.984 212 G CA 0.067 45.185 45.100 0.030 0.000 0.790 212 G HN 1.384 nan 8.290 nan 0.000 0.538 213 V N 1.071 121.016 119.914 0.051 0.000 2.843 213 V HA 0.604 4.724 4.120 -0.000 0.000 0.305 213 V C 1.646 177.786 176.094 0.077 0.000 1.065 213 V CA 0.189 62.530 62.300 0.068 0.000 1.116 213 V CB 1.154 33.011 31.823 0.057 0.000 0.968 213 V HN 0.826 nan 8.190 nan 0.000 0.487 214 I N 0.417 121.047 120.570 0.100 0.000 3.928 214 I HA 0.764 4.934 4.170 -0.000 0.000 0.335 214 I C 0.646 176.827 176.117 0.106 0.000 1.325 214 I CA 0.351 61.714 61.300 0.106 0.000 1.107 214 I CB -0.191 37.886 38.000 0.128 0.000 1.014 214 I HN 0.908 nan 8.210 nan 0.000 0.400 215 G N 0.830 109.684 108.800 0.091 0.000 2.506 215 G HA2 0.595 4.555 3.960 -0.000 0.000 0.292 215 G HA3 0.595 4.555 3.960 -0.000 0.000 0.292 215 G C -1.663 173.263 174.900 0.044 0.000 1.425 215 G CA -0.705 44.443 45.100 0.080 0.000 0.788 215 G HN 0.084 nan 8.290 nan 0.000 0.490 219 H N 5.476 124.628 119.070 0.138 0.000 2.600 219 H HA 0.378 4.934 4.556 -0.000 0.000 0.357 219 H C 0.581 175.906 175.328 -0.005 0.000 1.106 219 H CA -0.303 55.795 56.048 0.082 0.000 1.193 219 H CB 2.386 32.272 29.762 0.207 0.000 1.594 219 H HN 0.841 nan 8.280 nan 0.000 0.526 220 E N 2.220 122.244 120.200 -0.293 0.000 2.209 220 E HA -0.193 4.157 4.350 -0.000 0.000 0.196 220 E C 0.141 176.724 176.600 -0.030 0.000 0.993 220 E CA 1.549 57.856 56.400 -0.155 0.000 0.819 220 E CB 0.159 29.710 29.700 -0.249 0.000 0.745 220 E HN 0.471 nan 8.360 nan 0.000 0.477 221 D N 0.172 120.628 120.400 0.094 0.000 2.263 221 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 221 D C 0.561 176.759 176.300 -0.169 0.000 0.971 221 D CA 0.972 54.920 54.000 -0.086 0.000 0.867 221 D CB -0.197 40.481 40.800 -0.204 0.000 0.929 221 D HN 0.487 nan 8.370 nan 0.000 0.492 222 W N 0.221 121.566 121.300 0.076 0.000 3.127 222 W HA 0.412 5.072 4.660 -0.000 0.000 0.344 222 W C 0.576 177.105 176.519 0.017 0.000 1.151 222 W CA -0.073 57.296 57.345 0.039 0.000 1.765 222 W CB 0.808 30.294 29.460 0.043 0.000 1.085 222 W HN -0.073 nan 8.180 nan 0.000 0.596 223 G N 1.334 110.241 108.800 0.179 0.000 2.780 223 G HA2 0.080 4.040 3.960 -0.000 0.000 0.364 223 G HA3 0.080 4.040 3.960 -0.000 0.000 0.364 223 G C -0.238 174.703 174.900 0.069 0.000 1.045 223 G CA -0.603 44.551 45.100 0.089 0.000 1.202 223 G HN 0.411 nan 8.290 nan 0.000 0.534 224 A N 2.287 125.122 122.820 0.025 0.000 3.118 224 A HA 0.678 4.998 4.320 -0.000 0.000 0.256 224 A C 1.238 178.827 177.584 0.008 0.000 1.667 224 A CA 0.838 52.885 52.037 0.015 0.000 1.338 224 A CB -0.489 18.503 19.000 -0.014 0.000 1.127 224 A HN 2.030 nan 8.150 nan 0.000 0.634 225 T N -2.379 112.185 114.554 0.016 0.000 2.918 225 T HA 0.454 4.804 4.350 -0.000 0.000 0.283 225 T C -1.858 172.851 174.700 0.014 0.000 1.001 225 T CA -1.738 60.369 62.100 0.011 0.000 1.041 225 T CB 1.227 70.099 68.868 0.007 0.000 1.028 225 T HN 0.078 nan 8.240 nan 0.000 0.511 226 P HA -0.080 nan 4.420 nan 0.000 0.216 226 P C 1.641 178.942 177.300 0.002 0.000 1.150 226 P CA 1.525 64.630 63.100 0.008 0.000 0.843 226 P CB -0.234 31.468 31.700 0.003 0.000 0.787 227 A N -0.146 122.675 122.820 0.001 0.000 1.877 227 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 227 A C 2.318 179.902 177.584 -0.000 0.000 1.186 227 A CA 2.130 54.166 52.037 -0.001 0.000 0.620 227 A CB -1.599 17.401 19.000 -0.001 0.000 0.822 227 A HN 0.193 nan 8.150 nan 0.000 0.443 228 A N -0.025 122.798 122.820 0.005 0.000 1.877 228 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 228 A C 2.137 179.720 177.584 -0.001 0.000 1.186 228 A CA 1.537 53.577 52.037 0.005 0.000 0.620 228 A CB -0.672 18.340 19.000 0.019 0.000 0.822 228 A HN 0.486 nan 8.150 nan 0.000 0.443 229 I N -0.131 120.439 120.570 0.001 0.000 2.127 229 I HA -0.293 3.877 4.170 -0.000 0.000 0.241 229 I C 2.363 178.471 176.117 -0.014 0.000 1.075 229 I CA 2.029 63.325 61.300 -0.007 0.000 1.334 229 I CB -0.436 37.563 38.000 -0.003 0.000 1.040 229 I HN 0.433 nan 8.210 nan 0.000 0.405 230 D N 0.107 120.501 120.400 -0.011 0.000 2.123 230 D HA -0.235 4.405 4.640 -0.000 0.000 0.196 230 D C 2.288 178.580 176.300 -0.015 0.000 0.992 230 D CA 1.321 55.313 54.000 -0.014 0.000 0.833 230 D CB -0.211 40.583 40.800 -0.011 0.000 0.954 230 D HN 0.405 nan 8.370 nan 0.000 0.455 231 C N 0.008 119.301 119.300 -0.012 0.000 2.432 231 C HA 0.047 4.507 4.460 -0.000 0.000 0.277 231 C C 2.912 177.892 174.990 -0.017 0.000 1.249 231 C CA 1.566 60.576 59.018 -0.013 0.000 1.725 231 C CB -1.481 26.252 27.740 -0.012 0.000 2.028 231 C HN 0.451 nan 8.230 nan 0.000 0.477 232 A N -0.006 122.802 122.820 -0.019 0.000 1.902 232 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 232 A C 2.152 179.719 177.584 -0.028 0.000 1.181 232 A CA 1.798 53.821 52.037 -0.024 0.000 0.623 232 A CB -0.695 18.288 19.000 -0.028 0.000 0.818 232 A HN 0.677 nan 8.150 nan 0.000 0.443 233 L N -0.870 120.336 121.223 -0.029 0.000 2.217 233 L HA -0.116 4.224 4.340 -0.000 0.000 0.211 233 L C 2.687 179.541 176.870 -0.026 0.000 1.107 233 L CA 1.486 56.307 54.840 -0.032 0.000 0.783 233 L CB -0.583 41.456 42.059 -0.033 0.000 0.919 233 L HN 0.341 nan 8.230 nan 0.000 0.442 234 T N -0.772 113.770 114.554 -0.021 0.000 2.777 234 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 234 T C 1.977 176.667 174.700 -0.017 0.000 1.040 234 T CA 1.243 63.333 62.100 -0.018 0.000 1.141 234 T CB -0.091 68.769 68.868 -0.015 0.000 0.868 234 T HN 0.056 nan 8.240 nan 0.000 0.444 235 V N 1.683 121.587 119.914 -0.017 0.000 2.427 235 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 235 V C 2.869 178.954 176.094 -0.015 0.000 1.051 235 V CA 1.510 63.801 62.300 -0.014 0.000 1.048 235 V CB -1.167 30.648 31.823 -0.014 0.000 0.666 235 V HN 0.504 nan 8.190 nan 0.000 0.456 236 A N -0.121 122.687 122.820 -0.020 0.000 1.902 236 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 236 A C 2.010 179.580 177.584 -0.023 0.000 1.181 236 A CA 2.020 54.043 52.037 -0.023 0.000 0.623 236 A CB -0.611 18.369 19.000 -0.034 0.000 0.818 236 A HN 0.510 nan 8.150 nan 0.000 0.443 237 D N -0.244 120.141 120.400 -0.024 0.000 2.178 237 D HA -0.147 4.493 4.640 -0.000 0.000 0.201 237 D C 1.997 178.286 176.300 -0.018 0.000 0.980 237 D CA 1.593 55.580 54.000 -0.023 0.000 0.842 237 D CB -0.231 40.556 40.800 -0.022 0.000 0.948 237 D HN 0.890 nan 8.370 nan 0.000 0.472 238 E N -0.553 119.639 120.200 -0.015 0.000 2.318 238 E HA 0.019 4.369 4.350 -0.000 0.000 0.193 238 E C 1.550 178.144 176.600 -0.009 0.000 0.998 238 E CA 0.283 56.676 56.400 -0.012 0.000 0.859 238 E CB -0.014 29.680 29.700 -0.010 0.000 0.812 238 E HN 0.196 nan 8.360 nan 0.000 0.492 239 M N 0.813 120.408 119.600 -0.008 0.000 2.313 239 M HA 0.147 4.627 4.480 -0.000 0.000 0.273 239 M C -0.317 175.982 176.300 -0.002 0.000 1.049 239 M CA -0.089 55.209 55.300 -0.003 0.000 1.004 239 M CB 0.501 33.102 32.600 0.001 0.000 1.461 239 M HN -0.114 nan 8.290 nan 0.000 0.514 240 D N 2.899 123.294 120.400 -0.009 0.000 2.705 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.240 240 D C -1.030 175.268 176.300 -0.004 0.000 1.137 240 D CA 0.642 54.635 54.000 -0.012 0.000 0.677 240 D CB -0.805 39.988 40.800 -0.012 0.000 1.049 240 D HN 0.528 nan 8.370 nan 0.000 0.427 241 I N -2.631 117.935 120.570 -0.007 0.000 3.002 241 I HA 0.716 4.886 4.170 -0.000 0.000 0.310 241 I C 0.012 176.116 176.117 -0.023 0.000 1.087 241 I CA -1.155 60.147 61.300 0.004 0.000 1.017 241 I CB 1.556 39.568 38.000 0.019 0.000 1.226 241 I HN -0.133 nan 8.210 nan 0.000 0.443 242 Q N 1.714 121.499 119.800 -0.024 0.000 2.205 242 Q HA 0.738 5.078 4.340 -0.000 0.000 0.249 242 Q C -1.433 174.527 176.000 -0.066 0.000 0.948 242 Q CA -0.599 55.150 55.803 -0.091 0.000 0.895 242 Q CB 1.890 30.480 28.738 -0.245 0.000 1.249 242 Q HN 0.654 nan 8.270 nan 0.000 0.458 243 V N 1.856 121.705 119.914 -0.108 0.000 2.495 243 V HA 0.857 4.977 4.120 -0.000 0.000 0.298 243 V C -0.807 175.162 176.094 -0.208 0.000 1.031 243 V CA -0.675 61.553 62.300 -0.119 0.000 0.871 243 V CB 1.494 33.257 31.823 -0.099 0.000 0.988 243 V HN 0.848 nan 8.190 nan 0.000 0.432 244 A N 4.923 127.548 122.820 -0.325 0.000 2.331 244 A HA 0.874 5.194 4.320 -0.000 0.000 0.320 244 A C -1.177 176.049 177.584 -0.597 0.000 1.138 244 A CA -0.474 51.116 52.037 -0.745 0.000 0.790 244 A CB 1.217 19.475 19.000 -1.237 0.000 1.206 244 A HN 0.793 nan 8.150 nan 0.000 0.470 245 L N 2.119 123.007 121.223 -0.557 0.000 2.346 245 L HA 0.572 4.912 4.340 -0.000 0.000 0.276 245 L C -0.422 176.358 176.870 -0.149 0.000 1.006 245 L CA -0.176 54.509 54.840 -0.259 0.000 0.817 245 L CB 1.540 43.512 42.059 -0.145 0.000 1.272 245 L HN 0.793 nan 8.230 nan 0.000 0.421 246 H N 3.283 122.280 119.070 -0.121 0.000 2.887 246 H HA 0.519 5.075 4.556 -0.000 0.000 0.300 246 H C -0.408 174.874 175.328 -0.077 0.000 1.038 246 H CA -0.471 55.560 56.048 -0.029 0.000 1.352 246 H CB 0.901 30.609 29.762 -0.090 0.000 1.473 246 H HN 0.837 nan 8.280 nan 0.000 0.503 247 S N 2.631 118.448 115.700 0.195 0.000 2.606 247 S HA -0.066 4.404 4.470 -0.000 0.000 0.257 247 S C 0.465 175.017 174.600 -0.081 0.000 1.327 247 S CA -0.801 57.421 58.200 0.037 0.000 0.984 247 S CB 0.946 64.167 63.200 0.035 0.000 0.941 247 S HN 0.753 nan 8.310 nan 0.000 0.576 248 D N 0.574 120.759 120.400 -0.359 0.000 2.441 248 D HA 0.160 4.799 4.640 -0.000 0.000 0.243 248 D C 1.042 177.061 176.300 -0.468 0.000 1.257 248 D CA 0.093 53.864 54.000 -0.382 0.000 1.027 248 D CB -0.280 40.340 40.800 -0.300 0.000 1.084 248 D HN 0.548 nan 8.370 nan 0.000 0.514 249 T N 3.458 117.920 114.554 -0.153 0.000 2.720 249 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 249 T C 1.960 176.693 174.700 0.055 0.000 1.037 249 T CA 0.806 62.918 62.100 0.019 0.000 1.144 249 T CB -0.039 68.994 68.868 0.276 0.000 0.864 249 T HN 0.441 nan 8.240 nan 0.000 0.444 250 L N 0.960 122.156 121.223 -0.045 0.000 2.456 250 L HA 0.002 4.342 4.340 -0.000 0.000 0.224 250 L C 0.707 177.586 176.870 0.016 0.000 1.148 250 L CA 0.257 55.066 54.840 -0.053 0.000 0.825 250 L CB -0.800 41.138 42.059 -0.201 0.000 0.937 250 L HN 0.292 nan 8.230 nan 0.000 0.450 251 N N 0.116 118.845 118.700 0.048 0.000 2.714 251 N HA -0.270 4.470 4.740 -0.000 0.000 0.250 251 N C 1.153 176.619 175.510 -0.073 0.000 1.117 251 N CA 1.280 54.394 53.050 0.106 0.000 0.719 251 N CB -1.018 37.605 38.487 0.226 0.000 1.081 251 N HN 0.586 nan 8.380 nan 0.000 0.557 252 E N 0.485 120.643 120.200 -0.070 0.000 2.077 252 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 252 E C 1.457 177.999 176.600 -0.095 0.000 0.989 252 E CA 1.761 58.107 56.400 -0.090 0.000 0.800 252 E CB 0.110 29.755 29.700 -0.092 0.000 0.746 252 E HN 0.544 nan 8.360 nan 0.000 0.452 253 S N -1.247 114.411 115.700 -0.071 0.000 2.524 253 S HA 0.399 4.869 4.470 -0.000 0.000 0.215 253 S C 0.544 175.094 174.600 -0.084 0.000 0.986 253 S CA 0.034 58.198 58.200 -0.061 0.000 0.911 253 S CB 1.301 64.487 63.200 -0.024 0.000 0.805 253 S HN 0.412 nan 8.310 nan 0.000 0.501 254 G N -0.019 108.706 108.800 -0.126 0.000 2.337 254 G HA2 0.390 4.350 3.960 -0.000 0.000 0.298 254 G HA3 0.390 4.350 3.960 -0.000 0.000 0.298 254 G C -1.173 173.603 174.900 -0.207 0.000 1.335 254 G CA -1.142 43.822 45.100 -0.227 0.000 0.875 254 G HN 0.162 nan 8.290 nan 0.000 0.579 255 F N -1.000 118.918 119.950 -0.053 0.000 2.321 255 F HA 0.513 5.039 4.527 -0.000 0.000 0.318 255 F C 1.881 177.265 175.800 -0.693 0.000 1.129 255 F CA -0.031 57.838 58.000 -0.220 0.000 1.074 255 F CB 1.357 40.292 39.000 -0.109 0.000 1.432 255 F HN 0.312 nan 8.300 nan 0.000 0.502 256 V N 1.507 121.061 119.914 -0.599 0.000 2.380 256 V HA -0.257 3.863 4.120 -0.000 0.000 0.251 256 V C 2.245 178.191 176.094 -0.246 0.000 1.063 256 V CA 2.500 64.439 62.300 -0.602 0.000 1.055 256 V CB -0.617 31.084 31.823 -0.203 0.000 0.657 256 V HN 0.836 nan 8.190 nan 0.000 0.455 257 E N -0.998 119.140 120.200 -0.102 0.000 2.204 257 E HA -0.258 4.092 4.350 -0.000 0.000 0.195 257 E C 1.618 178.193 176.600 -0.042 0.000 0.990 257 E CA 1.713 58.088 56.400 -0.042 0.000 0.821 257 E CB -0.595 29.113 29.700 0.013 0.000 0.750 257 E HN 0.684 nan 8.360 nan 0.000 0.477 258 D N 0.895 121.266 120.400 -0.047 0.000 2.137 258 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 258 D C 1.789 178.073 176.300 -0.027 0.000 0.970 258 D CA 1.487 55.470 54.000 -0.029 0.000 0.837 258 D CB -0.088 40.697 40.800 -0.026 0.000 0.981 258 D HN 0.182 nan 8.370 nan 0.000 0.475 259 T N 1.798 116.333 114.554 -0.033 0.000 2.708 259 T HA -0.088 4.262 4.350 -0.000 0.000 0.266 259 T C 2.293 176.974 174.700 -0.031 0.000 1.037 259 T CA 0.577 62.693 62.100 0.027 0.000 1.146 259 T CB -0.311 68.648 68.868 0.152 0.000 0.865 259 T HN 0.081 nan 8.240 nan 0.000 0.435 260 L N 0.702 121.875 121.223 -0.084 0.000 2.042 260 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 260 L C 2.996 179.808 176.870 -0.097 0.000 1.076 260 L CA 1.372 56.126 54.840 -0.143 0.000 0.749 260 L CB -0.643 41.274 42.059 -0.237 0.000 0.893 260 L HN 0.254 nan 8.230 nan 0.000 0.432 261 A N -0.192 122.593 122.820 -0.059 0.000 1.902 261 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 261 A C 2.522 180.090 177.584 -0.027 0.000 1.181 261 A CA 1.689 53.706 52.037 -0.033 0.000 0.623 261 A CB -0.687 18.302 19.000 -0.017 0.000 0.818 261 A HN 0.414 nan 8.150 nan 0.000 0.443 262 A N -0.003 122.803 122.820 -0.023 0.000 1.933 262 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 262 A C 2.083 179.653 177.584 -0.023 0.000 1.175 262 A CA 1.477 53.504 52.037 -0.017 0.000 0.628 262 A CB -0.618 18.378 19.000 -0.006 0.000 0.814 262 A HN 0.506 nan 8.150 nan 0.000 0.444 263 I N -0.471 120.078 120.570 -0.035 0.000 2.286 263 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 263 I C 1.795 177.890 176.117 -0.037 0.000 1.115 263 I CA 0.977 62.252 61.300 -0.042 0.000 1.392 263 I CB -0.707 37.255 38.000 -0.063 0.000 1.065 263 I HN 0.490 nan 8.210 nan 0.000 0.418 264 G N 1.062 109.841 108.800 -0.035 0.000 2.323 264 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.292 264 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.292 264 G C 0.962 175.851 174.900 -0.018 0.000 1.040 264 G CA 0.437 45.524 45.100 -0.022 0.000 0.942 264 G HN 0.965 nan 8.290 nan 0.000 0.506 265 G N -1.799 106.989 108.800 -0.020 0.000 2.155 265 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 265 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 265 G C 0.488 175.378 174.900 -0.017 0.000 0.983 265 G CA 1.053 46.149 45.100 -0.007 0.000 0.676 265 G HN 1.021 nan 8.290 nan 0.000 0.528 266 R N 0.331 120.814 120.500 -0.028 0.000 2.457 266 R HA 0.503 4.843 4.340 -0.000 0.000 0.284 266 R C 0.450 176.725 176.300 -0.042 0.000 1.024 266 R CA -0.183 55.897 56.100 -0.032 0.000 1.025 266 R CB 0.587 30.867 30.300 -0.033 0.000 1.063 266 R HN 0.150 nan 8.270 nan 0.000 0.493 267 T N 2.988 117.514 114.554 -0.047 0.000 2.908 267 T HA 0.193 4.543 4.350 -0.000 0.000 0.301 267 T C 0.141 174.797 174.700 -0.073 0.000 1.019 267 T CA 0.445 62.508 62.100 -0.060 0.000 1.152 267 T CB 0.060 68.887 68.868 -0.068 0.000 0.966 267 T HN 0.389 nan 8.240 nan 0.000 0.540 268 I N 1.620 122.143 120.570 -0.078 0.000 2.787 268 I HA 0.245 4.415 4.170 -0.000 0.000 0.294 268 I C -0.896 175.183 176.117 -0.062 0.000 1.365 268 I CA -0.880 60.369 61.300 -0.085 0.000 1.029 268 I CB 2.191 40.141 38.000 -0.084 0.000 1.313 268 I HN 0.750 nan 8.210 nan 0.000 0.431 269 H N 5.379 124.313 119.070 -0.227 0.000 2.597 269 H HA 0.419 4.975 4.556 -0.000 0.000 0.303 269 H C -0.803 174.358 175.328 -0.277 0.000 1.057 269 H CA -0.576 55.332 56.048 -0.233 0.000 1.261 269 H CB 0.947 30.549 29.762 -0.268 0.000 1.397 269 H HN 0.595 nan 8.280 nan 0.000 0.461 270 T N 3.453 118.043 114.554 0.060 0.000 2.743 270 T HA 0.197 4.547 4.350 -0.000 0.000 0.293 270 T C -0.102 174.573 174.700 -0.040 0.000 0.945 270 T CA -0.771 61.274 62.100 -0.093 0.000 1.030 270 T CB 0.289 69.111 68.868 -0.077 0.000 0.912 270 T HN 0.194 nan 8.240 nan 0.000 0.483 271 F N 3.626 123.323 119.950 -0.422 0.000 2.382 271 F HA 0.264 4.791 4.527 -0.000 0.000 0.331 271 F C 1.484 176.856 175.800 -0.713 0.000 1.121 271 F CA -1.037 56.608 58.000 -0.593 0.000 1.183 271 F CB -0.072 38.433 39.000 -0.826 0.000 1.207 271 F HN 0.960 nan 8.300 nan 0.000 0.555 272 H N -0.958 118.257 119.070 0.241 0.000 2.315 272 H HA -0.206 4.350 4.556 -0.000 0.000 0.324 272 H C 0.737 176.120 175.328 0.090 0.000 0.996 272 H CA 0.473 56.606 56.048 0.142 0.000 1.090 272 H CB -2.477 27.338 29.762 0.089 0.000 1.580 272 H HN 0.524 nan 8.280 nan 0.000 0.374 273 T N -0.921 113.690 114.554 0.094 0.000 2.946 273 T HA -0.228 4.122 4.350 -0.000 0.000 0.271 273 T C 1.756 176.590 174.700 0.224 0.000 1.104 273 T CA 1.300 63.408 62.100 0.013 0.000 1.114 273 T CB 0.030 68.641 68.868 -0.429 0.000 0.867 273 T HN 0.701 nan 8.240 nan 0.000 0.513 274 E N 0.707 121.122 120.200 0.358 0.000 2.152 274 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 274 E C 1.909 178.583 176.600 0.125 0.000 0.983 274 E CA 1.189 57.755 56.400 0.278 0.000 0.818 274 E CB -0.209 29.622 29.700 0.219 0.000 0.758 274 E HN 0.579 nan 8.360 nan 0.000 0.467 275 G N -0.018 108.848 108.800 0.110 0.000 2.391 275 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.204 275 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.204 275 G C 1.411 176.259 174.900 -0.087 0.000 1.012 275 G CA 0.591 45.698 45.100 0.012 0.000 0.651 275 G HN 0.541 nan 8.290 nan 0.000 0.494 276 A N 0.848 123.623 122.820 -0.076 0.000 1.948 276 A HA 0.282 4.602 4.320 -0.000 0.000 0.220 276 A C 2.622 180.125 177.584 -0.136 0.000 1.177 276 A CA 2.568 54.550 52.037 -0.091 0.000 0.636 276 A CB -0.941 18.020 19.000 -0.064 0.000 0.815 276 A HN 1.692 nan 8.150 nan 0.000 0.449 277 G N -1.650 106.997 108.800 -0.254 0.000 2.920 277 G HA2 0.443 4.403 3.960 -0.000 0.000 0.208 277 G HA3 0.443 4.403 3.960 -0.000 0.000 0.208 277 G C 0.676 174.963 174.900 -1.021 0.000 1.159 277 G CA 0.747 45.533 45.100 -0.523 0.000 0.784 277 G HN 1.657 nan 8.290 nan 0.000 0.535 278 G N -2.141 106.193 108.800 -0.778 0.000 2.435 278 G HA2 0.570 4.530 3.960 -0.000 0.000 0.603 278 G HA3 0.570 4.530 3.960 -0.000 0.000 0.603 278 G C -0.263 174.423 174.900 -0.357 0.000 1.496 278 G CA -0.116 44.567 45.100 -0.695 0.000 0.896 278 G HN 1.826 nan 8.290 nan 0.000 0.657 279 G N 0.661 109.417 108.800 -0.073 0.000 2.317 279 G HA2 0.483 4.443 3.960 -0.000 0.000 0.445 279 G HA3 0.483 4.443 3.960 -0.000 0.000 0.445 279 G C -0.472 174.453 174.900 0.041 0.000 1.486 279 G CA -0.384 44.730 45.100 0.023 0.000 0.991 279 G HN 1.431 nan 8.290 nan 0.000 0.660 280 H N 0.019 119.142 119.070 0.089 0.000 3.223 280 H HA 0.245 4.801 4.556 -0.000 0.000 0.287 280 H C 1.059 176.428 175.328 0.068 0.000 0.910 280 H CA 1.549 57.656 56.048 0.097 0.000 1.406 280 H CB 0.553 30.380 29.762 0.107 0.000 1.377 280 H HN 0.973 nan 8.280 nan 0.000 0.556 281 A N 6.799 129.725 122.820 0.177 0.000 2.301 281 A HA 0.303 4.623 4.320 -0.000 0.000 0.298 281 A C -1.568 176.059 177.584 0.072 0.000 1.185 281 A CA -1.275 50.800 52.037 0.064 0.000 0.830 281 A CB 0.767 19.792 19.000 0.042 0.000 1.112 281 A HN 0.540 nan 8.150 nan 0.000 0.508 282 P HA 0.166 nan 4.420 nan 0.000 0.290 282 P C -0.642 176.624 177.300 -0.057 0.000 1.519 282 P CA 0.165 63.167 63.100 -0.164 0.000 1.189 282 P CB 0.478 31.885 31.700 -0.489 0.000 1.569 283 D N -0.844 119.571 120.400 0.025 0.000 2.559 283 D HA 0.029 4.669 4.640 -0.000 0.000 0.234 283 D C 1.289 177.635 176.300 0.077 0.000 1.226 283 D CA -0.644 53.383 54.000 0.045 0.000 0.830 283 D CB -0.527 40.291 40.800 0.030 0.000 1.028 283 D HN -0.032 nan 8.370 nan 0.000 0.492 284 I N 0.553 121.186 120.570 0.106 0.000 2.567 284 I HA -0.087 4.083 4.170 -0.000 0.000 0.257 284 I C 1.641 177.822 176.117 0.107 0.000 1.184 284 I CA 0.763 62.139 61.300 0.127 0.000 1.451 284 I CB -0.177 37.910 38.000 0.146 0.000 1.089 284 I HN 0.207 nan 8.210 nan 0.000 0.441 285 I N 0.428 121.069 120.570 0.119 0.000 2.530 285 I HA -0.313 3.857 4.170 -0.000 0.000 0.257 285 I C 2.089 178.303 176.117 0.161 0.000 1.179 285 I CA 1.780 63.186 61.300 0.177 0.000 1.440 285 I CB -0.323 37.785 38.000 0.181 0.000 1.087 285 I HN 0.494 nan 8.210 nan 0.000 0.440 286 T N -1.488 113.137 114.554 0.118 0.000 3.098 286 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 286 T C 1.791 176.590 174.700 0.166 0.000 1.145 286 T CA 0.704 62.877 62.100 0.122 0.000 1.092 286 T CB -0.412 68.516 68.868 0.100 0.000 0.908 286 T HN 0.392 nan 8.240 nan 0.000 0.526 287 A N 1.291 124.188 122.820 0.127 0.000 2.019 287 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 287 A C 2.614 180.293 177.584 0.158 0.000 1.164 287 A CA 1.216 53.328 52.037 0.125 0.000 0.644 287 A CB -1.497 17.508 19.000 0.009 0.000 0.805 287 A HN 0.988 nan 8.150 nan 0.000 0.449 288 C N -1.832 117.524 119.300 0.093 0.000 2.485 288 C HA 0.407 4.867 4.460 -0.000 0.000 0.283 288 C C 2.332 177.364 174.990 0.070 0.000 1.478 288 C CA 0.027 59.079 59.018 0.056 0.000 1.741 288 C CB -1.780 26.029 27.740 0.116 0.000 1.675 288 C HN 0.633 nan 8.230 nan 0.000 0.573 289 A N -0.605 122.262 122.820 0.078 0.000 2.132 289 A HA 0.154 4.474 4.320 -0.000 0.000 0.213 289 A C 0.930 178.391 177.584 -0.205 0.000 1.154 289 A CA 0.195 52.187 52.037 -0.074 0.000 0.753 289 A CB -0.561 18.348 19.000 -0.152 0.000 0.826 289 A HN 0.849 nan 8.150 nan 0.000 0.469 290 H N -0.046 119.018 119.070 -0.010 0.000 2.487 290 H HA 0.169 4.725 4.556 -0.000 0.000 0.333 290 H C -1.641 173.672 175.328 -0.024 0.000 1.114 290 H CA -1.506 54.532 56.048 -0.017 0.000 1.310 290 H CB 1.192 30.943 29.762 -0.019 0.000 1.462 290 H HN 0.155 nan 8.280 nan 0.000 0.516 291 P HA -0.134 nan 4.420 nan 0.000 0.223 291 P C 0.768 178.078 177.300 0.015 0.000 1.151 291 P CA 1.061 64.174 63.100 0.021 0.000 0.787 291 P CB 0.374 32.078 31.700 0.008 0.000 0.788 292 N N -0.489 118.231 118.700 0.032 0.000 2.336 292 N HA 0.021 4.761 4.740 -0.000 0.000 0.189 292 N C 0.289 175.786 175.510 -0.021 0.000 1.113 292 N CA 0.075 53.123 53.050 -0.002 0.000 0.858 292 N CB 0.006 38.490 38.487 -0.004 0.000 0.970 292 N HN 0.093 nan 8.380 nan 0.000 0.471 293 I N 1.906 122.473 120.570 -0.004 0.000 2.331 293 I HA 0.303 4.473 4.170 -0.000 0.000 0.292 293 I C -0.044 176.037 176.117 -0.060 0.000 0.998 293 I CA -0.782 60.499 61.300 -0.031 0.000 1.267 293 I CB 1.541 39.537 38.000 -0.008 0.000 1.386 293 I HN -0.052 nan 8.210 nan 0.000 0.476 294 L N 8.552 129.722 121.223 -0.090 0.000 2.301 294 L HA 0.390 4.730 4.340 -0.000 0.000 0.278 294 L C -2.341 174.451 176.870 -0.131 0.000 1.022 294 L CA -1.546 53.208 54.840 -0.144 0.000 0.854 294 L CB 1.352 43.278 42.059 -0.222 0.000 1.226 294 L HN 0.319 nan 8.230 nan 0.000 0.429 295 P HA 0.268 nan 4.420 nan 0.000 0.296 295 P C -0.880 176.282 177.300 -0.230 0.000 1.306 295 P CA -0.326 62.618 63.100 -0.259 0.000 0.818 295 P CB 1.889 33.273 31.700 -0.526 0.000 0.969 296 S N 1.714 117.381 115.700 -0.054 0.000 2.634 296 S HA 0.728 5.198 4.470 -0.000 0.000 0.296 296 S C -0.354 174.337 174.600 0.151 0.000 1.104 296 S CA -0.688 57.590 58.200 0.129 0.000 0.920 296 S CB 1.233 64.675 63.200 0.403 0.000 1.111 296 S HN 0.315 nan 8.310 nan 0.000 0.493 297 S N 1.156 117.051 115.700 0.325 0.000 2.568 297 S HA 0.792 5.262 4.470 -0.000 0.000 0.302 297 S C -0.077 174.664 174.600 0.235 0.000 1.082 297 S CA -0.771 57.657 58.200 0.379 0.000 1.009 297 S CB 1.618 65.177 63.200 0.598 0.000 1.069 297 S HN 0.980 nan 8.310 nan 0.000 0.500 298 T N 0.047 114.715 114.554 0.190 0.000 2.927 298 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 298 T C 0.943 175.678 174.700 0.058 0.000 0.998 298 T CA -0.839 61.298 62.100 0.061 0.000 1.019 298 T CB 0.566 69.440 68.868 0.009 0.000 1.061 298 T HN 0.585 nan 8.240 nan 0.000 0.518 299 N N 0.405 119.101 118.700 -0.006 0.000 2.446 299 N HA 0.032 4.772 4.740 -0.000 0.000 0.179 299 N C -0.911 174.610 175.510 0.019 0.000 1.054 299 N CA -0.272 52.776 53.050 -0.003 0.000 0.905 299 N CB -1.296 37.163 38.487 -0.046 0.000 0.973 299 N HN 0.437 nan 8.380 nan 0.000 0.448 300 P HA -0.075 nan 4.420 nan 0.000 0.222 300 P C 0.666 178.084 177.300 0.197 0.000 1.147 300 P CA 1.386 64.535 63.100 0.081 0.000 0.790 300 P CB -0.219 31.489 31.700 0.012 0.000 0.780 301 T N -3.524 111.124 114.554 0.155 0.000 3.107 301 T HA 0.208 4.558 4.350 -0.000 0.000 0.249 301 T C 0.746 175.497 174.700 0.085 0.000 1.096 301 T CA -0.110 62.041 62.100 0.085 0.000 1.012 301 T CB -0.505 68.370 68.868 0.012 0.000 0.977 301 T HN -0.012 nan 8.240 nan 0.000 0.527 302 L N 3.324 124.593 121.223 0.077 0.000 2.280 302 L HA 0.526 4.866 4.340 -0.000 0.000 0.287 302 L C -2.436 174.463 176.870 0.049 0.000 1.023 302 L CA -2.324 52.551 54.840 0.058 0.000 0.819 302 L CB 1.599 43.667 42.059 0.016 0.000 1.212 302 L HN 0.005 nan 8.230 nan 0.000 0.420 303 P HA 0.121 nan 4.420 nan 0.000 0.286 303 P C -1.308 176.083 177.300 0.153 0.000 1.292 303 P CA -0.740 62.422 63.100 0.103 0.000 0.842 303 P CB 1.108 32.865 31.700 0.095 0.000 1.207 304 Y N 1.612 121.921 120.300 0.016 0.000 2.605 304 Y HA 0.284 4.834 4.550 -0.000 0.000 0.336 304 Y C 0.306 176.214 175.900 0.013 0.000 1.111 304 Y CA 0.283 58.385 58.100 0.003 0.000 1.422 304 Y CB -0.712 37.746 38.460 -0.003 0.000 1.193 304 Y HN 0.392 nan 8.280 nan 0.000 0.526 305 T N 2.680 117.188 114.554 -0.078 0.000 2.888 305 T HA 0.389 4.739 4.350 -0.000 0.000 0.288 305 T C 0.970 175.534 174.700 -0.228 0.000 1.063 305 T CA -0.873 61.117 62.100 -0.184 0.000 1.010 305 T CB 0.875 69.715 68.868 -0.047 0.000 1.214 305 T HN 0.587 nan 8.240 nan 0.000 0.533 306 L N 0.531 121.653 121.223 -0.167 0.000 2.191 306 L HA -0.022 4.318 4.340 -0.000 0.000 0.212 306 L C 2.062 178.911 176.870 -0.036 0.000 1.103 306 L CA 1.068 55.839 54.840 -0.114 0.000 0.769 306 L CB -0.427 41.584 42.059 -0.079 0.000 0.908 306 L HN 0.659 nan 8.230 nan 0.000 0.438 307 N N -1.399 117.296 118.700 -0.009 0.000 2.280 307 N HA -0.007 4.733 4.740 -0.000 0.000 0.192 307 N C 1.572 177.123 175.510 0.068 0.000 1.109 307 N CA 0.426 53.490 53.050 0.024 0.000 0.855 307 N CB 0.380 38.877 38.487 0.017 0.000 0.974 307 N HN 0.208 nan 8.380 nan 0.000 0.482 308 T N 2.281 116.889 114.554 0.090 0.000 2.607 308 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 308 T C 1.991 176.795 174.700 0.173 0.000 1.049 308 T CA 0.830 63.024 62.100 0.157 0.000 1.162 308 T CB 0.020 68.988 68.868 0.166 0.000 0.863 308 T HN 0.102 nan 8.240 nan 0.000 0.424 309 I N 1.882 122.519 120.570 0.111 0.000 2.163 309 I HA -0.157 4.013 4.170 -0.000 0.000 0.243 309 I C 2.089 178.265 176.117 0.099 0.000 1.085 309 I CA 1.630 62.975 61.300 0.075 0.000 1.347 309 I CB -1.470 36.573 38.000 0.073 0.000 1.044 309 I HN 0.306 nan 8.210 nan 0.000 0.408 310 D N 0.921 121.369 120.400 0.082 0.000 2.116 310 D HA -0.258 4.382 4.640 -0.000 0.000 0.193 310 D C 2.027 178.360 176.300 0.056 0.000 0.998 310 D CA 1.706 55.740 54.000 0.057 0.000 0.836 310 D CB -0.201 40.622 40.800 0.038 0.000 0.951 310 D HN 0.622 nan 8.370 nan 0.000 0.449 311 E N -0.281 119.963 120.200 0.072 0.000 2.274 311 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 311 E C 1.482 178.071 176.600 -0.018 0.000 0.996 311 E CA 0.924 57.335 56.400 0.018 0.000 0.840 311 E CB -0.209 29.489 29.700 -0.004 0.000 0.772 311 E HN 0.398 nan 8.360 nan 0.000 0.491 312 H N 0.165 119.217 119.070 -0.030 0.000 2.389 312 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 312 H C 1.833 177.126 175.328 -0.058 0.000 1.081 312 H CA 1.496 57.517 56.048 -0.046 0.000 1.345 312 H CB -0.101 29.637 29.762 -0.040 0.000 1.393 312 H HN 0.190 nan 8.280 nan 0.000 0.520 313 L N 0.752 122.002 121.223 0.046 0.000 1.971 313 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 313 L C 1.573 178.417 176.870 -0.043 0.000 1.072 313 L CA 2.044 56.881 54.840 -0.006 0.000 0.758 313 L CB -0.600 41.458 42.059 -0.002 0.000 0.889 313 L HN 0.250 nan 8.230 nan 0.000 0.433 314 D N -0.874 119.497 120.400 -0.049 0.000 2.218 314 D HA -0.218 4.422 4.640 -0.000 0.000 0.204 314 D C 2.180 178.419 176.300 -0.101 0.000 0.976 314 D CA 1.517 55.478 54.000 -0.065 0.000 0.853 314 D CB -0.042 40.723 40.800 -0.057 0.000 0.939 314 D HN 0.492 nan 8.370 nan 0.000 0.481 315 M N 0.412 119.932 119.600 -0.133 0.000 2.175 315 M HA -0.144 4.336 4.480 -0.000 0.000 0.264 315 M C 1.971 178.162 176.300 -0.182 0.000 1.063 315 M CA 0.784 55.971 55.300 -0.189 0.000 1.119 315 M CB 0.074 32.508 32.600 -0.277 0.000 1.377 315 M HN -0.026 nan 8.290 nan 0.000 0.415 316 L N 1.104 122.251 121.223 -0.126 0.000 1.989 316 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 316 L C 2.320 179.162 176.870 -0.047 0.000 1.071 316 L CA 1.941 56.741 54.840 -0.066 0.000 0.749 316 L CB -1.045 40.973 42.059 -0.068 0.000 0.890 316 L HN 0.413 nan 8.230 nan 0.000 0.431 317 M N -0.932 118.631 119.600 -0.061 0.000 2.180 317 M HA -0.226 4.254 4.480 -0.000 0.000 0.260 317 M C 2.287 178.538 176.300 -0.082 0.000 1.071 317 M CA 1.776 57.054 55.300 -0.037 0.000 1.096 317 M CB -1.330 31.250 32.600 -0.033 0.000 1.276 317 M HN 0.119 nan 8.290 nan 0.000 0.426 318 V N -0.020 119.817 119.914 -0.130 0.000 2.282 318 V HA -0.284 3.836 4.120 -0.000 0.000 0.249 318 V C 2.572 178.476 176.094 -0.317 0.000 1.057 318 V CA 2.225 64.418 62.300 -0.178 0.000 1.032 318 V CB -1.073 30.644 31.823 -0.177 0.000 0.645 318 V HN 0.473 nan 8.190 nan 0.000 0.447 319 S N -1.330 114.129 115.700 -0.401 0.000 2.383 319 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 319 S C 1.646 175.769 174.600 -0.796 0.000 1.030 319 S CA 1.341 59.178 58.200 -0.605 0.000 1.002 319 S CB -0.373 62.422 63.200 -0.674 0.000 0.829 319 S HN 0.707 nan 8.310 nan 0.000 0.467 320 H N -0.140 118.744 119.070 -0.309 0.000 2.549 320 H HA 0.202 4.758 4.556 -0.000 0.000 0.279 320 H C -0.217 174.964 175.328 -0.245 0.000 1.018 320 H CA 0.240 56.133 56.048 -0.258 0.000 1.175 320 H CB 0.017 29.785 29.762 0.009 0.000 1.485 320 H HN 0.431 nan 8.280 nan 0.000 0.543 321 H N -0.615 118.485 119.070 0.051 0.000 2.826 321 H HA -0.146 4.410 4.556 -0.000 0.000 0.306 321 H C -0.097 175.266 175.328 0.058 0.000 1.235 321 H CA 0.329 56.394 56.048 0.029 0.000 1.150 321 H CB -2.426 27.341 29.762 0.009 0.000 1.409 321 H HN 0.314 nan 8.280 nan 0.000 0.420 322 L N 0.621 121.921 121.223 0.128 0.000 2.343 322 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 322 L C 0.968 177.889 176.870 0.086 0.000 1.056 322 L CA -0.408 54.511 54.840 0.133 0.000 0.804 322 L CB 1.223 43.380 42.059 0.164 0.000 1.203 322 L HN 0.015 nan 8.230 nan 0.000 0.440 323 D N 3.741 124.189 120.400 0.081 0.000 2.373 323 D HA 0.198 4.838 4.640 -0.000 0.000 0.227 323 D C -1.642 174.687 176.300 0.049 0.000 1.091 323 D CA -1.961 52.071 54.000 0.054 0.000 0.840 323 D CB 1.913 42.740 40.800 0.046 0.000 1.060 323 D HN 0.229 nan 8.370 nan 0.000 0.502 324 P HA -0.069 nan 4.420 nan 0.000 0.225 324 P C 0.460 177.776 177.300 0.026 0.000 1.148 324 P CA 0.602 63.718 63.100 0.026 0.000 0.779 324 P CB 0.774 32.482 31.700 0.013 0.000 0.780 325 D N -0.191 120.225 120.400 0.026 0.000 2.271 325 D HA 0.095 4.735 4.640 -0.000 0.000 0.206 325 D C 1.033 177.349 176.300 0.027 0.000 0.967 325 D CA 0.281 54.294 54.000 0.022 0.000 0.867 325 D CB 0.174 40.985 40.800 0.018 0.000 0.960 325 D HN 0.259 nan 8.370 nan 0.000 0.509 326 I N 1.881 122.471 120.570 0.034 0.000 2.329 326 I HA 0.042 4.212 4.170 -0.000 0.000 0.295 326 I C 1.641 177.787 176.117 0.048 0.000 1.109 326 I CA -0.482 60.840 61.300 0.038 0.000 1.297 326 I CB 1.458 39.482 38.000 0.041 0.000 1.433 326 I HN -0.140 nan 8.210 nan 0.000 0.509 327 A N 5.406 128.250 122.820 0.041 0.000 1.927 327 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 327 A C 2.052 179.675 177.584 0.065 0.000 1.185 327 A CA 1.884 53.949 52.037 0.047 0.000 0.639 327 A CB -0.343 18.680 19.000 0.038 0.000 0.820 327 A HN 0.734 nan 8.150 nan 0.000 0.451 328 E N 0.044 120.281 120.200 0.062 0.000 2.153 328 E HA -0.127 4.223 4.350 -0.000 0.000 0.194 328 E C 1.445 178.125 176.600 0.134 0.000 0.988 328 E CA 1.293 57.738 56.400 0.075 0.000 0.811 328 E CB -0.229 29.492 29.700 0.035 0.000 0.746 328 E HN 0.617 nan 8.360 nan 0.000 0.466 329 D N -0.863 119.616 120.400 0.132 0.000 2.224 329 D HA -0.100 4.540 4.640 -0.000 0.000 0.205 329 D C 1.963 178.382 176.300 0.200 0.000 0.965 329 D CA 1.098 55.225 54.000 0.212 0.000 0.852 329 D CB 0.047 40.932 40.800 0.142 0.000 0.947 329 D HN 0.260 nan 8.370 nan 0.000 0.494 330 V N -1.424 118.560 119.914 0.116 0.000 2.599 330 V HA 0.171 4.291 4.120 -0.000 0.000 0.245 330 V C 2.174 178.304 176.094 0.060 0.000 1.046 330 V CA 1.149 63.487 62.300 0.064 0.000 1.065 330 V CB -0.621 31.228 31.823 0.043 0.000 0.703 330 V HN 0.068 nan 8.190 nan 0.000 0.464 331 A N 0.692 123.570 122.820 0.096 0.000 1.898 331 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 331 A C 2.082 179.742 177.584 0.127 0.000 1.181 331 A CA 1.868 53.963 52.037 0.096 0.000 0.620 331 A CB -0.890 18.171 19.000 0.101 0.000 0.819 331 A HN 0.797 nan 8.150 nan 0.000 0.442 332 F N 1.261 121.219 119.950 0.013 0.000 2.171 332 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 332 F C 2.281 178.077 175.800 -0.006 0.000 1.090 332 F CA 1.062 59.063 58.000 0.002 0.000 1.293 332 F CB -0.643 38.352 39.000 -0.008 0.000 1.013 332 F HN 0.217 nan 8.300 nan 0.000 0.486 333 A N 0.476 123.027 122.820 -0.449 0.000 1.898 333 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 333 A C 2.133 179.562 177.584 -0.259 0.000 1.181 333 A CA 1.685 53.407 52.037 -0.526 0.000 0.620 333 A CB -0.910 17.924 19.000 -0.278 0.000 0.819 333 A HN 0.573 nan 8.150 nan 0.000 0.442 334 E N 0.454 120.582 120.200 -0.119 0.000 2.153 334 E HA -0.135 4.215 4.350 -0.000 0.000 0.194 334 E C 2.132 178.703 176.600 -0.049 0.000 0.988 334 E CA 1.356 57.724 56.400 -0.053 0.000 0.811 334 E CB -0.188 29.512 29.700 0.000 0.000 0.746 334 E HN 0.779 nan 8.360 nan 0.000 0.466 335 S N 0.396 116.070 115.700 -0.044 0.000 2.555 335 S HA 0.002 4.472 4.470 -0.000 0.000 0.230 335 S C 1.728 176.244 174.600 -0.141 0.000 0.978 335 S CA 0.301 58.473 58.200 -0.047 0.000 0.934 335 S CB 0.059 63.279 63.200 0.034 0.000 0.766 335 S HN 0.129 nan 8.310 nan 0.000 0.533 336 R N 0.233 120.635 120.500 -0.163 0.000 2.173 336 R HA 0.359 4.699 4.340 -0.000 0.000 0.208 336 R C -0.037 176.166 176.300 -0.160 0.000 1.035 336 R CA 0.450 56.443 56.100 -0.179 0.000 1.004 336 R CB -0.004 30.150 30.300 -0.243 0.000 0.917 336 R HN 0.425 nan 8.270 nan 0.000 0.462 337 I N 2.163 122.653 120.570 -0.134 0.000 2.287 337 I HA 0.178 4.348 4.170 -0.000 0.000 0.290 337 I C -0.525 175.527 176.117 -0.108 0.000 1.069 337 I CA -0.083 61.148 61.300 -0.116 0.000 1.237 337 I CB 0.914 38.876 38.000 -0.064 0.000 1.418 337 I HN -0.116 nan 8.210 nan 0.000 0.481 338 R N 4.965 125.380 120.500 -0.140 0.000 2.439 338 R HA 0.374 4.714 4.340 -0.000 0.000 0.310 338 R C 0.947 177.175 176.300 -0.120 0.000 0.955 338 R CA -0.799 55.240 56.100 -0.100 0.000 0.853 338 R CB 2.048 32.243 30.300 -0.174 0.000 1.171 338 R HN 0.476 nan 8.270 nan 0.000 0.449 339 R N 1.875 122.326 120.500 -0.082 0.000 2.105 339 R HA -0.219 4.121 4.340 -0.000 0.000 0.239 339 R C 0.601 176.761 176.300 -0.233 0.000 1.135 339 R CA 1.915 57.916 56.100 -0.166 0.000 0.967 339 R CB 0.267 30.548 30.300 -0.032 0.000 0.861 339 R HN 0.569 nan 8.270 nan 0.000 0.442 340 E N -0.470 119.676 120.200 -0.089 0.000 2.058 340 E HA -0.170 4.180 4.350 -0.000 0.000 0.194 340 E C 2.020 178.554 176.600 -0.110 0.000 0.997 340 E CA 2.307 58.669 56.400 -0.064 0.000 0.801 340 E CB -0.314 29.416 29.700 0.051 0.000 0.746 340 E HN 0.584 nan 8.360 nan 0.000 0.450 341 T N -1.288 113.200 114.554 -0.109 0.000 2.942 341 T HA 0.025 4.375 4.350 -0.000 0.000 0.265 341 T C 2.008 176.607 174.700 -0.167 0.000 1.062 341 T CA 0.552 62.586 62.100 -0.110 0.000 1.139 341 T CB -0.287 68.534 68.868 -0.080 0.000 0.883 341 T HN 0.037 nan 8.240 nan 0.000 0.468 342 I N 1.737 122.160 120.570 -0.245 0.000 2.315 342 I HA -0.074 4.096 4.170 -0.000 0.000 0.248 342 I C 3.135 179.016 176.117 -0.393 0.000 1.117 342 I CA 1.162 62.278 61.300 -0.307 0.000 1.404 342 I CB -0.481 37.286 38.000 -0.388 0.000 1.071 342 I HN 0.342 nan 8.210 nan 0.000 0.419 343 A N 0.624 123.116 122.820 -0.546 0.000 1.929 343 A HA -0.061 4.259 4.320 -0.000 0.000 0.216 343 A C 2.529 180.019 177.584 -0.156 0.000 1.176 343 A CA 1.536 53.325 52.037 -0.414 0.000 0.628 343 A CB -0.673 18.107 19.000 -0.367 0.000 0.816 343 A HN 0.405 nan 8.150 nan 0.000 0.444 344 A N -0.168 122.557 122.820 -0.157 0.000 1.930 344 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 344 A C 1.983 179.455 177.584 -0.187 0.000 1.175 344 A CA 1.728 53.689 52.037 -0.127 0.000 0.627 344 A CB -0.568 18.366 19.000 -0.110 0.000 0.815 344 A HN 0.675 nan 8.150 nan 0.000 0.443 345 E N -0.011 120.049 120.200 -0.233 0.000 2.114 345 E HA -0.297 4.053 4.350 -0.000 0.000 0.199 345 E C 1.182 177.656 176.600 -0.210 0.000 1.008 345 E CA 1.701 57.880 56.400 -0.368 0.000 0.810 345 E CB -0.182 29.396 29.700 -0.203 0.000 0.739 345 E HN 0.558 nan 8.360 nan 0.000 0.456 346 D N -0.196 120.180 120.400 -0.039 0.000 2.117 346 D HA -0.129 4.511 4.640 -0.000 0.000 0.197 346 D C 2.048 178.392 176.300 0.074 0.000 0.987 346 D CA 1.099 55.147 54.000 0.079 0.000 0.829 346 D CB -0.162 40.699 40.800 0.102 0.000 0.961 346 D HN 0.129 nan 8.370 nan 0.000 0.460 347 V N 0.898 120.814 119.914 0.002 0.000 2.358 347 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 347 V C 2.587 178.661 176.094 -0.034 0.000 1.047 347 V CA 1.017 63.323 62.300 0.010 0.000 1.035 347 V CB -0.503 31.315 31.823 -0.007 0.000 0.658 347 V HN 0.197 nan 8.190 nan 0.000 0.452 348 L N -0.764 120.361 121.223 -0.164 0.000 2.187 348 L HA -0.221 4.119 4.340 -0.000 0.000 0.213 348 L C 2.461 179.204 176.870 -0.211 0.000 1.100 348 L CA 1.717 56.411 54.840 -0.243 0.000 0.765 348 L CB -0.715 41.033 42.059 -0.519 0.000 0.904 348 L HN 0.426 nan 8.230 nan 0.000 0.437 349 H N -1.023 117.944 119.070 -0.171 0.000 2.363 349 H HA -0.173 4.383 4.556 -0.000 0.000 0.301 349 H C 1.932 177.176 175.328 -0.140 0.000 1.074 349 H CA 1.534 57.511 56.048 -0.118 0.000 1.354 349 H CB 0.202 29.920 29.762 -0.074 0.000 1.397 349 H HN 0.193 nan 8.280 nan 0.000 0.516 350 D N -0.133 120.353 120.400 0.142 0.000 2.218 350 D HA -0.097 4.543 4.640 -0.000 0.000 0.204 350 D C 1.590 177.960 176.300 0.117 0.000 0.976 350 D CA 0.689 54.807 54.000 0.198 0.000 0.853 350 D CB 0.050 40.992 40.800 0.236 0.000 0.939 350 D HN 0.328 nan 8.370 nan 0.000 0.481 351 L N -1.516 119.747 121.223 0.066 0.000 2.509 351 L HA 0.239 4.579 4.340 -0.000 0.000 0.222 351 L C 1.605 178.513 176.870 0.064 0.000 1.123 351 L CA 0.506 55.387 54.840 0.067 0.000 0.856 351 L CB 0.054 42.136 42.059 0.039 0.000 0.985 351 L HN 0.217 nan 8.230 nan 0.000 0.456 352 G N -0.400 108.417 108.800 0.029 0.000 2.131 352 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.223 352 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.223 352 G C 0.888 175.814 174.900 0.043 0.000 0.990 352 G CA 0.350 45.470 45.100 0.034 0.000 0.671 352 G HN 0.389 nan 8.290 nan 0.000 0.521 353 A N -0.919 121.931 122.820 0.050 0.000 2.021 353 A HA 0.626 4.946 4.320 -0.000 0.000 0.216 353 A C 0.638 178.356 177.584 0.222 0.000 1.163 353 A CA 0.818 52.922 52.037 0.111 0.000 0.676 353 A CB 0.027 19.096 19.000 0.115 0.000 0.818 353 A HN 0.576 nan 8.150 nan 0.000 0.453 354 F N -0.213 119.594 119.950 -0.239 0.000 2.420 354 F HA 0.437 4.964 4.527 -0.000 0.000 0.342 354 F C 1.151 176.826 175.800 -0.208 0.000 1.113 354 F CA -1.144 56.653 58.000 -0.338 0.000 1.059 354 F CB 1.922 40.399 39.000 -0.871 0.000 1.128 354 F HN -0.034 nan 8.300 nan 0.000 0.475 355 S N 2.411 118.113 115.700 0.004 0.000 2.502 355 S HA 0.323 4.793 4.470 -0.000 0.000 0.215 355 S C -0.136 174.496 174.600 0.054 0.000 1.009 355 S CA 0.094 58.302 58.200 0.013 0.000 0.908 355 S CB 0.265 63.438 63.200 -0.045 0.000 0.801 355 S HN 0.250 nan 8.310 nan 0.000 0.505 356 L N 1.213 122.510 121.223 0.123 0.000 2.376 356 L HA 0.584 4.924 4.340 -0.000 0.000 0.258 356 L C -0.135 176.894 176.870 0.265 0.000 1.013 356 L CA -0.417 54.514 54.840 0.152 0.000 0.822 356 L CB 1.835 43.951 42.059 0.096 0.000 1.388 356 L HN 0.029 nan 8.230 nan 0.000 0.413 357 T N -2.061 112.609 114.554 0.193 0.000 2.893 357 T HA 0.959 5.309 4.350 -0.000 0.000 0.291 357 T C -0.409 174.363 174.700 0.121 0.000 1.028 357 T CA -0.523 61.665 62.100 0.147 0.000 0.995 357 T CB 1.872 70.758 68.868 0.031 0.000 1.051 357 T HN 0.788 nan 8.240 nan 0.000 0.470 358 S N 0.371 116.118 115.700 0.078 0.000 2.688 358 S HA 0.652 5.121 4.470 -0.000 0.000 0.275 358 S C 0.891 175.463 174.600 -0.047 0.000 1.175 358 S CA -0.128 58.091 58.200 0.031 0.000 0.818 358 S CB 1.149 64.384 63.200 0.059 0.000 1.157 358 S HN 1.132 nan 8.310 nan 0.000 0.482 359 S N 0.136 115.774 115.700 -0.104 0.000 2.370 359 S HA 0.234 4.704 4.470 -0.000 0.000 0.214 359 S C 0.352 174.795 174.600 -0.261 0.000 1.033 359 S CA 1.206 59.315 58.200 -0.152 0.000 0.941 359 S CB -0.792 62.325 63.200 -0.137 0.000 0.886 359 S HN 1.311 nan 8.310 nan 0.000 0.521 360 D N 1.485 121.645 120.400 -0.401 0.000 2.838 360 D HA -0.129 4.510 4.640 -0.000 0.000 0.237 360 D C -0.372 175.802 176.300 -0.210 0.000 1.059 360 D CA 0.696 54.343 54.000 -0.589 0.000 0.763 360 D CB -1.923 38.491 40.800 -0.643 0.000 1.070 360 D HN 0.677 nan 8.370 nan 0.000 0.437 361 S N 0.817 116.435 115.700 -0.137 0.000 2.885 361 S HA -0.001 4.469 4.470 -0.000 0.000 0.334 361 S C 1.042 175.564 174.600 -0.129 0.000 1.224 361 S CA 1.070 59.198 58.200 -0.120 0.000 1.080 361 S CB 0.861 63.983 63.200 -0.131 0.000 0.801 361 S HN 0.461 nan 8.310 nan 0.000 0.510 362 Q N 0.191 119.896 119.800 -0.158 0.000 2.468 362 Q HA -0.280 4.060 4.340 -0.000 0.000 0.256 362 Q C 0.311 176.139 176.000 -0.287 0.000 0.984 362 Q CA 1.059 56.753 55.803 -0.181 0.000 1.110 362 Q CB -2.031 26.641 28.738 -0.110 0.000 1.527 362 Q HN 1.259 nan 8.270 nan 0.000 0.535 363 A N 0.130 122.734 122.820 -0.360 0.000 3.292 363 A HA 0.574 4.894 4.320 -0.000 0.000 0.231 363 A C 0.371 177.759 177.584 -0.327 0.000 0.952 363 A CA 0.146 51.902 52.037 -0.468 0.000 1.044 363 A CB 0.481 18.938 19.000 -0.905 0.000 1.236 363 A HN 0.335 nan 8.150 nan 0.000 0.525 364 M N -1.252 118.182 119.600 -0.277 0.000 2.758 364 M HA -0.136 4.344 4.480 -0.000 0.000 0.223 364 M C 0.136 176.323 176.300 -0.189 0.000 0.490 364 M CA 0.917 56.081 55.300 -0.227 0.000 0.713 364 M CB -1.395 31.099 32.600 -0.175 0.000 2.624 364 M HN 1.300 nan 8.290 nan 0.000 0.718 365 G N 0.586 109.271 108.800 -0.193 0.000 2.556 365 G HA2 0.637 4.597 3.960 -0.000 0.000 0.294 365 G HA3 0.637 4.597 3.960 -0.000 0.000 0.294 365 G C -1.395 173.413 174.900 -0.153 0.000 1.516 365 G CA -1.151 43.850 45.100 -0.165 0.000 0.824 365 G HN 0.253 nan 8.290 nan 0.000 0.535 366 R N 1.678 122.100 120.500 -0.130 0.000 2.246 366 R HA 0.393 4.733 4.340 -0.000 0.000 0.332 366 R C 1.050 177.281 176.300 -0.114 0.000 0.974 366 R CA -0.728 55.299 56.100 -0.122 0.000 0.837 366 R CB 2.078 32.306 30.300 -0.120 0.000 1.145 366 R HN 0.325 nan 8.270 nan 0.000 0.467 367 V N 2.973 122.822 119.914 -0.109 0.000 2.453 367 V HA -0.161 3.959 4.120 -0.000 0.000 0.252 367 V C 1.507 177.551 176.094 -0.083 0.000 1.068 367 V CA 2.560 64.802 62.300 -0.098 0.000 1.070 367 V CB -0.114 31.656 31.823 -0.089 0.000 0.664 367 V HN 1.009 nan 8.190 nan 0.000 0.461 368 G N -1.307 107.443 108.800 -0.083 0.000 3.284 368 G HA2 0.102 4.062 3.960 -0.000 0.000 0.236 368 G HA3 0.102 4.062 3.960 -0.000 0.000 0.236 368 G C 0.757 175.609 174.900 -0.079 0.000 1.158 368 G CA 0.120 45.177 45.100 -0.072 0.000 0.774 368 G HN 0.625 nan 8.290 nan 0.000 0.545 369 E N 0.106 120.248 120.200 -0.097 0.000 2.734 369 E HA 0.158 4.508 4.350 -0.000 0.000 0.211 369 E C 1.355 177.887 176.600 -0.115 0.000 0.991 369 E CA -0.233 56.106 56.400 -0.101 0.000 1.065 369 E CB 1.135 30.768 29.700 -0.112 0.000 1.047 369 E HN 0.188 nan 8.360 nan 0.000 0.470 370 V N 0.733 120.566 119.914 -0.134 0.000 2.307 370 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 370 V C 2.135 178.049 176.094 -0.300 0.000 1.045 370 V CA 1.490 63.688 62.300 -0.171 0.000 1.024 370 V CB -0.235 31.501 31.823 -0.145 0.000 0.651 370 V HN 0.369 nan 8.190 nan 0.000 0.449 371 I N -0.324 120.013 120.570 -0.387 0.000 2.233 371 I HA -0.224 3.946 4.170 -0.000 0.000 0.243 371 I C 2.443 178.416 176.117 -0.240 0.000 1.093 371 I CA 1.552 62.498 61.300 -0.591 0.000 1.380 371 I CB -0.335 37.388 38.000 -0.461 0.000 1.067 371 I HN 0.289 nan 8.210 nan 0.000 0.413 372 L N 1.049 122.210 121.223 -0.104 0.000 2.013 372 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 372 L C 2.822 179.689 176.870 -0.005 0.000 1.073 372 L CA 1.758 56.595 54.840 -0.005 0.000 0.753 372 L CB -0.298 41.761 42.059 -0.000 0.000 0.890 372 L HN 0.123 nan 8.230 nan 0.000 0.432 373 R N -1.057 119.404 120.500 -0.064 0.000 2.115 373 R HA -0.108 4.232 4.340 -0.000 0.000 0.230 373 R C 2.122 178.375 176.300 -0.079 0.000 1.111 373 R CA 1.711 57.779 56.100 -0.052 0.000 0.976 373 R CB -0.531 29.735 30.300 -0.056 0.000 0.870 373 R HN 0.442 nan 8.270 nan 0.000 0.445 374 T N -0.132 114.315 114.554 -0.179 0.000 2.746 374 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 374 T C 1.266 175.799 174.700 -0.278 0.000 1.039 374 T CA 1.345 63.297 62.100 -0.246 0.000 1.142 374 T CB -0.221 68.437 68.868 -0.350 0.000 0.866 374 T HN 0.451 nan 8.240 nan 0.000 0.444 375 W N 1.504 122.805 121.300 0.002 0.000 2.467 375 W HA 0.013 4.673 4.660 -0.000 0.000 0.275 375 W C 2.633 179.116 176.519 -0.061 0.000 1.239 375 W CA 0.037 57.357 57.345 -0.042 0.000 1.266 375 W CB -0.227 29.221 29.460 -0.020 0.000 1.112 375 W HN 0.309 nan 8.180 nan 0.000 0.576 376 Q N -0.028 119.853 119.800 0.134 0.000 2.119 376 Q HA -0.165 4.175 4.340 -0.000 0.000 0.201 376 Q C 2.144 178.199 176.000 0.093 0.000 0.972 376 Q CA 1.577 57.438 55.803 0.098 0.000 0.847 376 Q CB -0.425 28.345 28.738 0.055 0.000 0.903 376 Q HN 0.185 nan 8.270 nan 0.000 0.433 377 V N 0.855 120.787 119.914 0.031 0.000 2.295 377 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 377 V C 2.270 178.324 176.094 -0.066 0.000 1.049 377 V CA 1.823 64.144 62.300 0.036 0.000 1.024 377 V CB -0.991 30.883 31.823 0.086 0.000 0.648 377 V HN 0.393 nan 8.190 nan 0.000 0.447 378 A N -0.233 122.368 122.820 -0.366 0.000 1.908 378 A HA -0.327 3.993 4.320 -0.000 0.000 0.218 378 A C 2.111 179.604 177.584 -0.152 0.000 1.181 378 A CA 2.494 54.146 52.037 -0.640 0.000 0.627 378 A CB -0.897 17.613 19.000 -0.816 0.000 0.818 378 A HN 0.794 nan 8.150 nan 0.000 0.445 379 H N -0.657 118.366 119.070 -0.078 0.000 2.293 379 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 379 H C 2.226 177.553 175.328 -0.002 0.000 1.082 379 H CA 1.971 58.011 56.048 -0.015 0.000 1.308 379 H CB -0.026 29.743 29.762 0.012 0.000 1.375 379 H HN 0.222 nan 8.280 nan 0.000 0.495 380 R N -0.240 120.281 120.500 0.036 0.000 2.120 380 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 380 R C 2.154 178.434 176.300 -0.034 0.000 1.123 380 R CA 1.151 57.251 56.100 0.000 0.000 0.975 380 R CB -0.273 30.085 30.300 0.098 0.000 0.866 380 R HN 0.486 nan 8.270 nan 0.000 0.446 381 M N 0.117 119.709 119.600 -0.012 0.000 2.236 381 M HA -0.061 4.419 4.480 -0.000 0.000 0.266 381 M C 2.099 178.395 176.300 -0.006 0.000 1.070 381 M CA 1.141 56.455 55.300 0.023 0.000 1.137 381 M CB -0.619 32.038 32.600 0.094 0.000 1.378 381 M HN 0.028 nan 8.290 nan 0.000 0.426 382 K N 0.470 120.839 120.400 -0.052 0.000 2.057 382 K HA -0.098 4.222 4.320 -0.000 0.000 0.207 382 K C 1.828 178.387 176.600 -0.069 0.000 1.049 382 K CA 1.216 57.478 56.287 -0.042 0.000 0.931 382 K CB 0.048 32.519 32.500 -0.047 0.000 0.714 382 K HN 0.064 nan 8.250 nan 0.000 0.440 383 V N 1.603 121.424 119.914 -0.155 0.000 2.343 383 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 383 V C 2.310 178.368 176.094 -0.060 0.000 1.051 383 V CA 1.981 64.197 62.300 -0.140 0.000 1.036 383 V CB -0.419 31.260 31.823 -0.239 0.000 0.654 383 V HN 0.450 nan 8.190 nan 0.000 0.451 384 Q N -0.762 119.015 119.800 -0.038 0.000 2.163 384 Q HA 0.023 4.363 4.340 -0.000 0.000 0.198 384 Q C 2.176 178.181 176.000 0.009 0.000 0.954 384 Q CA 0.852 56.652 55.803 -0.005 0.000 0.851 384 Q CB 0.056 28.802 28.738 0.014 0.000 0.928 384 Q HN 0.571 nan 8.270 nan 0.000 0.459 385 R N -0.281 120.229 120.500 0.016 0.000 2.365 385 R HA 0.253 4.593 4.340 -0.000 0.000 0.223 385 R C 0.722 177.038 176.300 0.028 0.000 0.899 385 R CA 0.457 56.574 56.100 0.028 0.000 1.059 385 R CB 1.097 31.425 30.300 0.046 0.000 1.086 385 R HN 0.209 nan 8.270 nan 0.000 0.522 386 G N 1.624 110.436 108.800 0.019 0.000 2.553 386 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.242 386 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.242 386 G C -0.262 174.663 174.900 0.042 0.000 1.277 386 G CA -0.362 44.752 45.100 0.022 0.000 0.910 386 G HN 0.432 nan 8.290 nan 0.000 0.576 387 A N -0.497 122.349 122.820 0.044 0.000 2.407 387 A HA 0.632 4.952 4.320 -0.000 0.000 0.248 387 A C 0.879 178.509 177.584 0.078 0.000 1.082 387 A CA 0.137 52.212 52.037 0.063 0.000 0.785 387 A CB 0.136 19.165 19.000 0.048 0.000 1.020 387 A HN 1.177 nan 8.150 nan 0.000 0.489 388 L N 1.361 122.653 121.223 0.116 0.000 2.453 388 L HA 0.259 4.599 4.340 -0.000 0.000 0.261 388 L C 1.817 178.729 176.870 0.070 0.000 1.179 388 L CA -0.027 54.892 54.840 0.132 0.000 0.813 388 L CB 0.836 43.044 42.059 0.248 0.000 1.110 388 L HN 0.904 nan 8.230 nan 0.000 0.466 389 A N 1.363 124.207 122.820 0.040 0.000 2.024 389 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 389 A C 1.798 179.340 177.584 -0.070 0.000 1.164 389 A CA 1.440 53.472 52.037 -0.008 0.000 0.643 389 A CB -0.373 18.622 19.000 -0.010 0.000 0.806 389 A HN 0.870 nan 8.150 nan 0.000 0.451 390 E N 0.459 120.576 120.200 -0.139 0.000 2.435 390 E HA 0.040 4.390 4.350 -0.000 0.000 0.195 390 E C 0.263 176.707 176.600 -0.259 0.000 1.029 390 E CA 0.011 56.183 56.400 -0.381 0.000 0.865 390 E CB 0.096 29.154 29.700 -1.071 0.000 0.833 390 E HN 0.457 nan 8.360 nan 0.000 0.510 391 E N 0.681 120.859 120.200 -0.037 0.000 2.415 391 E HA 0.082 4.432 4.350 -0.000 0.000 0.262 391 E C -0.200 176.405 176.600 0.007 0.000 1.038 391 E CA 0.450 56.881 56.400 0.051 0.000 0.921 391 E CB 1.209 30.964 29.700 0.091 0.000 0.950 391 E HN -0.086 nan 8.360 nan 0.000 0.438 392 T N 0.539 115.111 114.554 0.029 0.000 2.912 392 T HA 0.583 4.933 4.350 -0.000 0.000 0.299 392 T C -0.248 174.468 174.700 0.027 0.000 1.052 392 T CA 0.453 62.562 62.100 0.015 0.000 0.996 392 T CB 1.018 69.891 68.868 0.009 0.000 1.070 392 T HN 0.706 nan 8.240 nan 0.000 0.465 393 G N 3.397 112.205 108.800 0.014 0.000 2.828 393 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.463 393 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.463 393 G C -0.557 174.346 174.900 0.006 0.000 1.394 393 G CA -0.080 45.026 45.100 0.010 0.000 0.862 393 G HN 0.865 nan 8.290 nan 0.000 0.540 394 D N 1.450 121.844 120.400 -0.010 0.000 2.639 394 D HA 0.427 5.067 4.640 -0.000 0.000 0.233 394 D C 0.738 177.023 176.300 -0.026 0.000 1.161 394 D CA 0.320 54.303 54.000 -0.029 0.000 1.003 394 D CB -0.523 40.240 40.800 -0.061 0.000 1.034 394 D HN 0.712 nan 8.370 nan 0.000 0.514 395 N N -0.488 118.222 118.700 0.018 0.000 3.106 395 N HA 0.184 4.924 4.740 -0.000 0.000 0.253 395 N C -0.901 174.659 175.510 0.083 0.000 1.506 395 N CA -0.710 52.374 53.050 0.055 0.000 0.876 395 N CB 1.108 39.632 38.487 0.061 0.000 1.452 395 N HN -0.153 nan 8.380 nan 0.000 0.542 396 D N -0.330 120.133 120.400 0.106 0.000 2.501 396 D HA 0.117 4.757 4.640 -0.000 0.000 0.226 396 D C 0.274 176.630 176.300 0.093 0.000 1.198 396 D CA -0.219 53.844 54.000 0.106 0.000 0.830 396 D CB -0.001 40.863 40.800 0.106 0.000 1.014 396 D HN 0.357 nan 8.370 nan 0.000 0.496 397 N N 0.917 119.667 118.700 0.083 0.000 2.060 397 N HA -0.212 4.528 4.740 -0.000 0.000 0.195 397 N C 1.408 176.955 175.510 0.061 0.000 1.028 397 N CA 0.899 53.985 53.050 0.060 0.000 0.861 397 N CB -0.499 38.028 38.487 0.066 0.000 1.029 397 N HN 0.279 nan 8.380 nan 0.000 0.428 398 F N 1.441 121.398 119.950 0.011 0.000 2.134 398 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 398 F C 2.543 178.360 175.800 0.028 0.000 1.097 398 F CA 1.162 59.148 58.000 -0.023 0.000 1.264 398 F CB -0.040 38.943 39.000 -0.029 0.000 1.001 398 F HN -0.058 nan 8.300 nan 0.000 0.479 399 R N -0.076 120.435 120.500 0.017 0.000 2.096 399 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 399 R C 1.997 178.384 176.300 0.144 0.000 1.127 399 R CA 1.669 57.822 56.100 0.087 0.000 0.968 399 R CB -0.518 29.889 30.300 0.178 0.000 0.861 399 R HN 0.285 nan 8.270 nan 0.000 0.440 400 V N 1.371 121.357 119.914 0.121 0.000 2.343 400 V HA -0.230 3.890 4.120 -0.000 0.000 0.247 400 V C 2.085 178.300 176.094 0.201 0.000 1.051 400 V CA 1.962 64.424 62.300 0.269 0.000 1.036 400 V CB -0.342 31.536 31.823 0.091 0.000 0.654 400 V HN 0.376 nan 8.190 nan 0.000 0.451 401 K N -0.137 120.224 120.400 -0.066 0.000 2.097 401 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 401 K C 2.346 178.876 176.600 -0.116 0.000 1.050 401 K CA 1.375 57.593 56.287 -0.114 0.000 0.938 401 K CB -0.234 32.092 32.500 -0.290 0.000 0.718 401 K HN 0.349 nan 8.250 nan 0.000 0.442 402 R N 0.164 120.444 120.500 -0.367 0.000 2.075 402 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 402 R C 1.684 177.899 176.300 -0.141 0.000 1.126 402 R CA 1.513 57.459 56.100 -0.257 0.000 0.963 402 R CB -0.209 29.862 30.300 -0.382 0.000 0.858 402 R HN 0.184 nan 8.270 nan 0.000 0.435 403 Y N 0.197 120.413 120.300 -0.141 0.000 2.337 403 Y HA -0.029 4.521 4.550 -0.000 0.000 0.293 403 Y C 2.107 177.790 175.900 -0.362 0.000 1.123 403 Y CA 1.059 59.004 58.100 -0.259 0.000 1.201 403 Y CB -0.035 38.170 38.460 -0.425 0.000 1.011 403 Y HN 0.084 nan 8.280 nan 0.000 0.545 404 I N -0.538 119.995 120.570 -0.062 0.000 2.493 404 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 404 I C 2.281 178.178 176.117 -0.366 0.000 1.160 404 I CA 1.067 62.242 61.300 -0.209 0.000 1.445 404 I CB -0.101 38.006 38.000 0.178 0.000 1.086 404 I HN 0.196 nan 8.210 nan 0.000 0.433 405 A N 0.565 123.307 122.820 -0.131 0.000 2.019 405 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 405 A C 2.175 179.679 177.584 -0.134 0.000 1.164 405 A CA 1.381 53.361 52.037 -0.095 0.000 0.644 405 A CB -0.414 18.576 19.000 -0.016 0.000 0.805 405 A HN 0.403 nan 8.150 nan 0.000 0.449 406 K N -1.331 118.984 120.400 -0.141 0.000 2.209 406 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 406 K C 1.011 177.642 176.600 0.052 0.000 1.048 406 K CA 1.693 57.957 56.287 -0.038 0.000 0.940 406 K CB -0.248 32.238 32.500 -0.023 0.000 0.729 406 K HN 0.922 nan 8.250 nan 0.000 0.451 407 Y N -1.765 118.537 120.300 0.002 0.000 2.641 407 Y HA 0.291 4.841 4.550 -0.000 0.000 0.248 407 Y C 1.026 176.970 175.900 0.075 0.000 1.170 407 Y CA -0.259 57.860 58.100 0.031 0.000 1.201 407 Y CB -0.218 38.248 38.460 0.009 0.000 1.232 407 Y HN -0.063 nan 8.280 nan 0.000 0.537 408 T N -2.861 111.648 114.554 -0.075 0.000 3.364 408 T HA 0.129 4.479 4.350 -0.000 0.000 0.179 408 T C 1.267 175.989 174.700 0.037 0.000 0.939 408 T CA 0.621 62.729 62.100 0.013 0.000 1.094 408 T CB -0.749 68.102 68.868 -0.029 0.000 1.532 408 T HN 0.089 nan 8.240 nan 0.000 0.346 409 I N 2.979 123.555 120.570 0.011 0.000 2.315 409 I HA -0.002 4.168 4.170 -0.000 0.000 0.248 409 I C 1.876 177.961 176.117 -0.052 0.000 1.117 409 I CA 1.307 62.597 61.300 -0.017 0.000 1.404 409 I CB -0.725 37.203 38.000 -0.120 0.000 1.071 409 I HN 0.253 nan 8.210 nan 0.000 0.419 410 N N 0.717 119.377 118.700 -0.066 0.000 2.142 410 N HA -0.080 4.660 4.740 -0.000 0.000 0.186 410 N C -0.781 174.707 175.510 -0.037 0.000 1.023 410 N CA 1.603 54.613 53.050 -0.067 0.000 0.852 410 N CB -1.781 36.663 38.487 -0.070 0.000 0.998 410 N HN 0.311 nan 8.380 nan 0.000 0.424 411 P HA 0.009 nan 4.420 nan 0.000 0.217 411 P C 1.032 178.377 177.300 0.075 0.000 1.151 411 P CA 1.281 64.421 63.100 0.067 0.000 0.828 411 P CB 0.001 31.765 31.700 0.106 0.000 0.788 412 A N -0.674 122.170 122.820 0.041 0.000 1.902 412 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 412 A C 2.178 179.771 177.584 0.014 0.000 1.181 412 A CA 1.368 53.419 52.037 0.024 0.000 0.623 412 A CB -1.615 17.404 19.000 0.032 0.000 0.818 412 A HN 0.109 nan 8.150 nan 0.000 0.443 413 L N -0.819 120.399 121.223 -0.010 0.000 2.056 413 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 413 L C 2.771 179.604 176.870 -0.063 0.000 1.078 413 L CA 1.706 56.527 54.840 -0.031 0.000 0.749 413 L CB -0.776 41.248 42.059 -0.059 0.000 0.901 413 L HN 0.344 nan 8.230 nan 0.000 0.433 414 T N -2.094 112.404 114.554 -0.093 0.000 2.759 414 T HA -0.195 4.155 4.350 -0.000 0.000 0.269 414 T C 1.440 175.964 174.700 -0.293 0.000 1.042 414 T CA 1.168 63.145 62.100 -0.206 0.000 1.140 414 T CB -0.246 68.451 68.868 -0.286 0.000 0.864 414 T HN 0.365 nan 8.240 nan 0.000 0.455 415 H N -0.292 118.744 119.070 -0.057 0.000 2.520 415 H HA 0.349 4.905 4.556 -0.000 0.000 0.284 415 H C 1.641 176.930 175.328 -0.064 0.000 1.037 415 H CA 0.337 56.356 56.048 -0.048 0.000 1.168 415 H CB 0.175 29.913 29.762 -0.041 0.000 1.497 415 H HN 0.499 nan 8.280 nan 0.000 0.547 416 G N 2.329 111.133 108.800 0.007 0.000 2.221 416 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.265 416 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.265 416 G C 0.807 175.773 174.900 0.111 0.000 1.041 416 G CA 0.683 45.807 45.100 0.040 0.000 0.807 416 G HN 0.625 nan 8.290 nan 0.000 0.502 417 I N -4.129 116.460 120.570 0.032 0.000 4.102 417 I HA 0.678 4.848 4.170 -0.000 0.000 0.325 417 I C 1.731 177.835 176.117 -0.023 0.000 1.471 417 I CA 0.313 61.566 61.300 -0.079 0.000 1.133 417 I CB 0.352 38.029 38.000 -0.539 0.000 1.184 417 I HN 0.117 nan 8.210 nan 0.000 0.451 418 A N 1.666 124.544 122.820 0.097 0.000 2.172 418 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 418 A C 1.988 179.651 177.584 0.132 0.000 1.154 418 A CA 1.698 53.788 52.037 0.090 0.000 0.701 418 A CB -1.266 17.777 19.000 0.073 0.000 0.789 418 A HN 0.853 nan 8.150 nan 0.000 0.465 419 H N -3.019 116.090 119.070 0.065 0.000 2.535 419 H HA 0.220 4.776 4.556 -0.000 0.000 0.273 419 H C 1.468 176.858 175.328 0.104 0.000 0.983 419 H CA 0.917 57.009 56.048 0.074 0.000 1.238 419 H CB 0.219 30.020 29.762 0.064 0.000 1.412 419 H HN 0.375 nan 8.280 nan 0.000 0.562 420 E N 1.003 121.053 120.200 -0.250 0.000 2.256 420 E HA 0.133 4.483 4.350 -0.000 0.000 0.198 420 E C 0.829 177.453 176.600 0.040 0.000 0.908 420 E CA 0.909 57.244 56.400 -0.108 0.000 0.915 420 E CB 1.128 30.773 29.700 -0.091 0.000 0.890 420 E HN 0.386 nan 8.360 nan 0.000 0.484 421 V N -4.713 115.243 119.914 0.069 0.000 3.084 421 V HA 0.856 4.976 4.120 -0.000 0.000 0.311 421 V C 0.830 176.992 176.094 0.113 0.000 1.311 421 V CA -0.174 62.196 62.300 0.117 0.000 1.062 421 V CB 1.217 33.140 31.823 0.166 0.000 1.113 421 V HN 0.299 nan 8.190 nan 0.000 0.468 422 G N -0.082 108.799 108.800 0.136 0.000 2.238 422 G HA2 0.083 4.043 3.960 -0.000 0.000 0.217 422 G HA3 0.083 4.043 3.960 -0.000 0.000 0.217 422 G C 0.271 175.281 174.900 0.183 0.000 0.996 422 G CA 0.621 45.803 45.100 0.136 0.000 0.632 422 G HN 2.463 nan 8.290 nan 0.000 0.503 423 S N -1.202 114.627 115.700 0.215 0.000 2.615 423 S HA 0.656 5.126 4.470 -0.000 0.000 0.268 423 S C -0.777 173.986 174.600 0.272 0.000 1.146 423 S CA -0.660 57.712 58.200 0.287 0.000 0.818 423 S CB 1.196 64.652 63.200 0.428 0.000 1.111 423 S HN 0.773 nan 8.310 nan 0.000 0.465 424 I N 1.590 122.364 120.570 0.340 0.000 2.241 424 I HA 0.385 4.555 4.170 -0.000 0.000 0.294 424 I C -0.088 176.222 176.117 0.322 0.000 1.145 424 I CA 0.197 61.693 61.300 0.327 0.000 1.261 424 I CB -0.187 38.025 38.000 0.353 0.000 1.475 424 I HN 0.558 nan 8.210 nan 0.000 0.533 425 E N 3.826 124.130 120.200 0.174 0.000 2.367 425 E HA 0.372 4.722 4.350 -0.000 0.000 0.273 425 E C -0.690 175.925 176.600 0.025 0.000 0.903 425 E CA -1.070 55.352 56.400 0.037 0.000 0.764 425 E CB 3.117 32.832 29.700 0.025 0.000 1.252 425 E HN 0.269 nan 8.360 nan 0.000 0.446 426 V N -0.048 119.842 119.914 -0.040 0.000 2.788 426 V HA 0.391 4.511 4.120 -0.000 0.000 0.307 426 V C 1.044 177.134 176.094 -0.008 0.000 1.069 426 V CA 1.026 63.302 62.300 -0.040 0.000 1.173 426 V CB 0.140 31.891 31.823 -0.121 0.000 0.925 426 V HN 1.029 nan 8.190 nan 0.000 0.492 427 G N 2.854 111.665 108.800 0.017 0.000 2.241 427 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 427 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 427 G C 0.330 175.266 174.900 0.060 0.000 0.998 427 G CA 0.394 45.517 45.100 0.038 0.000 0.621 427 G HN 0.895 nan 8.290 nan 0.000 0.519 428 K N 0.034 120.476 120.400 0.069 0.000 2.126 428 K HA 0.568 4.888 4.320 -0.000 0.000 0.257 428 K C 0.271 176.921 176.600 0.083 0.000 1.007 428 K CA -0.939 55.396 56.287 0.080 0.000 0.928 428 K CB 1.438 33.997 32.500 0.099 0.000 1.013 428 K HN 0.137 nan 8.250 nan 0.000 0.473 429 L N 1.836 123.105 121.223 0.077 0.000 2.525 429 L HA -0.026 4.314 4.340 -0.000 0.000 0.278 429 L C -0.030 176.896 176.870 0.092 0.000 1.218 429 L CA 0.740 55.625 54.840 0.074 0.000 0.878 429 L CB 0.390 42.487 42.059 0.064 0.000 1.127 429 L HN 0.742 nan 8.230 nan 0.000 0.492 430 A N 4.017 126.891 122.820 0.089 0.000 3.048 430 A HA 0.175 4.495 4.320 -0.000 0.000 0.264 430 A C -0.354 177.284 177.584 0.090 0.000 1.796 430 A CA -0.389 51.706 52.037 0.095 0.000 1.445 430 A CB -1.171 17.884 19.000 0.091 0.000 1.074 430 A HN 0.692 nan 8.150 nan 0.000 0.621 431 D N 1.445 121.906 120.400 0.101 0.000 2.428 431 D HA 0.543 5.183 4.640 -0.000 0.000 0.221 431 D C -0.324 176.040 176.300 0.106 0.000 1.123 431 D CA 0.447 54.505 54.000 0.098 0.000 0.869 431 D CB 0.930 41.798 40.800 0.113 0.000 1.032 431 D HN 0.401 nan 8.370 nan 0.000 0.506 432 L N 1.156 122.427 121.223 0.081 0.000 2.371 432 L HA 0.654 4.994 4.340 -0.000 0.000 0.262 432 L C -0.586 176.293 176.870 0.016 0.000 1.006 432 L CA -1.200 53.689 54.840 0.081 0.000 0.818 432 L CB 2.423 44.532 42.059 0.083 0.000 1.354 432 L HN -0.091 nan 8.230 nan 0.000 0.415 433 V N 2.160 122.071 119.914 -0.005 0.000 2.531 433 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 433 V C -0.318 175.599 176.094 -0.295 0.000 1.034 433 V CA -0.677 61.479 62.300 -0.241 0.000 0.865 433 V CB 2.225 33.830 31.823 -0.365 0.000 0.995 433 V HN 0.417 nan 8.190 nan 0.000 0.424 434 V N 3.988 123.697 119.914 -0.341 0.000 2.427 434 V HA 0.546 4.666 4.120 -0.000 0.000 0.286 434 V C -0.877 175.075 176.094 -0.238 0.000 1.034 434 V CA -0.489 61.722 62.300 -0.148 0.000 0.893 434 V CB 1.454 33.248 31.823 -0.048 0.000 0.982 434 V HN 0.920 nan 8.190 nan 0.000 0.452 435 W N 1.750 123.124 121.300 0.123 0.000 2.936 435 W HA 0.635 5.295 4.660 -0.000 0.000 0.338 435 W C 0.168 176.777 176.519 0.150 0.000 1.121 435 W CA -0.643 56.786 57.345 0.141 0.000 1.209 435 W CB 1.780 31.367 29.460 0.213 0.000 1.420 435 W HN 0.441 nan 8.180 nan 0.000 0.516 436 S N 2.035 117.987 115.700 0.420 0.000 2.537 436 S HA 0.300 4.770 4.470 -0.000 0.000 0.275 436 S C -1.514 173.286 174.600 0.334 0.000 1.272 436 S CA -1.294 57.098 58.200 0.321 0.000 1.050 436 S CB 1.068 64.468 63.200 0.334 0.000 0.961 436 S HN 0.210 nan 8.310 nan 0.000 0.496 437 P HA -0.091 nan 4.420 nan 0.000 0.216 437 P C 1.094 178.411 177.300 0.028 0.000 1.150 437 P CA 1.447 64.588 63.100 0.068 0.000 0.843 437 P CB 0.053 31.743 31.700 -0.017 0.000 0.787 438 A N -2.261 120.590 122.820 0.050 0.000 2.121 438 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 438 A C 1.279 178.692 177.584 -0.284 0.000 1.154 438 A CA 1.187 53.144 52.037 -0.134 0.000 0.679 438 A CB -1.284 17.601 19.000 -0.191 0.000 0.795 438 A HN 0.193 nan 8.150 nan 0.000 0.458 439 F N -2.486 117.527 119.950 0.105 0.000 2.724 439 F HA 0.321 4.848 4.527 -0.000 0.000 0.310 439 F C 0.270 176.047 175.800 -0.038 0.000 1.107 439 F CA -1.144 56.869 58.000 0.021 0.000 1.218 439 F CB 0.113 39.182 39.000 0.116 0.000 1.042 439 F HN 0.151 nan 8.300 nan 0.000 0.540 440 F N 1.592 121.479 119.950 -0.105 0.000 2.623 440 F HA 0.330 4.857 4.527 -0.000 0.000 0.383 440 F C 1.370 176.751 175.800 -0.697 0.000 1.077 440 F CA 1.099 58.815 58.000 -0.475 0.000 1.268 440 F CB 0.439 39.092 39.000 -0.578 0.000 1.053 440 F HN 0.328 nan 8.300 nan 0.000 0.571 441 G N 3.369 110.927 108.800 -2.070 0.000 2.212 441 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.266 441 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.266 441 G C 0.565 175.219 174.900 -0.410 0.000 0.978 441 G CA 0.517 44.825 45.100 -1.319 0.000 0.632 441 G HN 0.765 nan 8.290 nan 0.000 0.537 442 V N -0.681 119.105 119.914 -0.213 0.000 2.721 442 V HA 0.369 4.489 4.120 -0.000 0.000 0.236 442 V C 1.021 177.214 176.094 0.165 0.000 1.116 442 V CA 1.812 64.081 62.300 -0.053 0.000 1.148 442 V CB 0.282 31.831 31.823 -0.457 0.000 0.886 442 V HN 0.282 nan 8.190 nan 0.000 0.490 443 K N 1.135 121.697 120.400 0.270 0.000 2.640 443 K HA 0.445 4.765 4.320 -0.000 0.000 0.245 443 K C -2.908 173.888 176.600 0.327 0.000 0.962 443 K CA -1.635 54.815 56.287 0.271 0.000 0.896 443 K CB 2.475 35.093 32.500 0.198 0.000 1.147 443 K HN 0.156 nan 8.250 nan 0.000 0.445 444 P HA 0.036 nan 4.420 nan 0.000 0.272 444 P C -0.043 177.247 177.300 -0.018 0.000 1.230 444 P CA -0.092 62.887 63.100 -0.201 0.000 0.788 444 P CB 0.982 32.335 31.700 -0.578 0.000 0.949 445 A N 1.098 123.855 122.820 -0.104 0.000 1.956 445 A HA 0.184 4.504 4.320 -0.000 0.000 0.212 445 A C 0.427 177.952 177.584 -0.099 0.000 1.188 445 A CA 1.379 53.365 52.037 -0.085 0.000 0.675 445 A CB -0.335 18.643 19.000 -0.037 0.000 0.845 445 A HN 0.556 nan 8.150 nan 0.000 0.455 446 T N -0.698 113.777 114.554 -0.131 0.000 3.097 446 T HA 0.490 4.840 4.350 -0.000 0.000 0.332 446 T C -1.374 173.244 174.700 -0.137 0.000 1.269 446 T CA -0.394 61.647 62.100 -0.098 0.000 1.076 446 T CB 1.906 70.733 68.868 -0.069 0.000 1.209 446 T HN 0.017 nan 8.240 nan 0.000 0.474 447 V N 3.986 123.852 119.914 -0.081 0.000 2.378 447 V HA 0.510 4.630 4.120 -0.000 0.000 0.288 447 V C -0.317 175.761 176.094 -0.027 0.000 1.016 447 V CA -0.732 61.518 62.300 -0.083 0.000 0.840 447 V CB 1.173 32.956 31.823 -0.068 0.000 0.994 447 V HN 0.784 nan 8.190 nan 0.000 0.431 448 I N 5.092 125.654 120.570 -0.014 0.000 2.336 448 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 448 I C 0.195 176.333 176.117 0.036 0.000 0.991 448 I CA -0.408 60.901 61.300 0.016 0.000 1.227 448 I CB 1.214 39.228 38.000 0.023 0.000 1.366 448 I HN 0.386 nan 8.210 nan 0.000 0.466 449 K N 4.512 124.938 120.400 0.043 0.000 2.394 449 K HA 0.339 4.659 4.320 -0.000 0.000 0.260 449 K C 0.445 177.082 176.600 0.060 0.000 0.967 449 K CA -0.302 56.017 56.287 0.054 0.000 0.855 449 K CB 1.787 34.318 32.500 0.051 0.000 1.101 449 K HN 0.914 nan 8.250 nan 0.000 0.433 450 G N 2.032 110.871 108.800 0.065 0.000 2.283 450 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.280 450 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.280 450 G C 0.713 175.660 174.900 0.078 0.000 1.029 450 G CA 0.943 46.085 45.100 0.070 0.000 0.840 450 G HN 1.076 nan 8.290 nan 0.000 0.505 451 G N -2.130 106.710 108.800 0.067 0.000 2.175 451 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 451 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 451 G C 0.223 175.148 174.900 0.042 0.000 0.982 451 G CA 0.806 45.940 45.100 0.056 0.000 0.641 451 G HN 1.076 nan 8.290 nan 0.000 0.527 452 M N 0.404 120.032 119.600 0.047 0.000 2.464 452 M HA 0.539 5.019 4.480 -0.000 0.000 0.308 452 M C 0.181 176.507 176.300 0.045 0.000 1.127 452 M CA -0.874 54.453 55.300 0.044 0.000 0.913 452 M CB 2.225 34.858 32.600 0.054 0.000 1.689 452 M HN 0.058 nan 8.290 nan 0.000 0.445 453 I N 1.796 122.393 120.570 0.045 0.000 2.598 453 I HA 0.046 4.216 4.170 -0.000 0.000 0.284 453 I C 0.899 177.040 176.117 0.040 0.000 1.140 453 I CA 0.199 61.519 61.300 0.034 0.000 1.420 453 I CB 1.109 39.127 38.000 0.030 0.000 1.387 453 I HN 0.888 nan 8.210 nan 0.000 0.553 454 A N 7.105 129.940 122.820 0.024 0.000 2.108 454 A HA 0.445 4.765 4.320 -0.000 0.000 0.206 454 A C 0.558 178.147 177.584 0.007 0.000 1.212 454 A CA 0.440 52.489 52.037 0.019 0.000 0.843 454 A CB 0.459 19.475 19.000 0.026 0.000 0.902 454 A HN 0.644 nan 8.150 nan 0.000 0.477 455 I N -1.930 118.650 120.570 0.016 0.000 2.828 455 I HA 0.592 4.762 4.170 -0.000 0.000 0.295 455 I C -1.453 174.701 176.117 0.061 0.000 1.459 455 I CA -0.384 60.942 61.300 0.043 0.000 1.015 455 I CB 2.157 40.202 38.000 0.076 0.000 1.345 455 I HN 0.250 nan 8.210 nan 0.000 0.449 456 A N 5.789 128.638 122.820 0.048 0.000 2.601 456 A HA 0.838 5.158 4.320 -0.000 0.000 0.291 456 A C -3.121 174.287 177.584 -0.293 0.000 1.075 456 A CA -1.194 50.810 52.037 -0.055 0.000 0.671 456 A CB 1.641 20.588 19.000 -0.088 0.000 1.277 456 A HN 0.300 nan 8.150 nan 0.000 0.417 457 P HA 0.528 nan 4.420 nan 0.000 0.276 457 P C -0.767 176.292 177.300 -0.401 0.000 1.230 457 P CA 0.043 62.687 63.100 -0.759 0.000 0.776 457 P CB 0.632 31.899 31.700 -0.722 0.000 0.888 458 M N 2.828 122.206 119.600 -0.371 0.000 2.324 458 M HA 0.607 5.087 4.480 -0.000 0.000 0.288 458 M C -0.254 175.875 176.300 -0.285 0.000 1.097 458 M CA -0.396 54.738 55.300 -0.277 0.000 0.928 458 M CB 1.573 34.026 32.600 -0.245 0.000 1.648 458 M HN 0.412 nan 8.290 nan 0.000 0.460 459 G N 1.234 109.919 108.800 -0.191 0.000 2.510 459 G HA2 0.271 4.231 3.960 -0.000 0.000 0.280 459 G HA3 0.271 4.231 3.960 -0.000 0.000 0.280 459 G C -0.890 173.939 174.900 -0.119 0.000 1.386 459 G CA -0.575 44.438 45.100 -0.144 0.000 1.047 459 G HN 0.752 nan 8.290 nan 0.000 0.527 460 D N -0.167 120.191 120.400 -0.069 0.000 2.662 460 D HA -0.109 4.531 4.640 -0.000 0.000 0.237 460 D C 1.729 178.001 176.300 -0.047 0.000 1.154 460 D CA -0.247 53.727 54.000 -0.042 0.000 0.861 460 D CB 0.275 41.062 40.800 -0.022 0.000 1.146 460 D HN 0.038 nan 8.370 nan 0.000 0.518 461 I N 3.743 124.286 120.570 -0.045 0.000 2.361 461 I HA -0.219 3.951 4.170 -0.000 0.000 0.251 461 I C 1.868 177.971 176.117 -0.023 0.000 1.133 461 I CA 1.008 62.285 61.300 -0.040 0.000 1.413 461 I CB -1.155 36.824 38.000 -0.036 0.000 1.073 461 I HN 0.461 nan 8.210 nan 0.000 0.424 462 N N 0.885 119.575 118.700 -0.016 0.000 2.336 462 N HA 0.126 4.866 4.740 -0.000 0.000 0.189 462 N C 0.675 176.180 175.510 -0.010 0.000 1.113 462 N CA 0.161 53.206 53.050 -0.009 0.000 0.858 462 N CB 0.246 38.730 38.487 -0.005 0.000 0.970 462 N HN 0.268 nan 8.380 nan 0.000 0.471 463 A N -0.465 122.346 122.820 -0.015 0.000 2.366 463 A HA 0.243 4.563 4.320 -0.000 0.000 0.250 463 A C 1.410 178.987 177.584 -0.012 0.000 1.099 463 A CA 0.245 52.274 52.037 -0.014 0.000 0.794 463 A CB 0.028 19.016 19.000 -0.020 0.000 1.056 463 A HN 0.466 nan 8.150 nan 0.000 0.499 464 S N -0.358 115.335 115.700 -0.010 0.000 2.489 464 S HA 0.153 4.623 4.470 -0.000 0.000 0.228 464 S C 0.561 175.155 174.600 -0.009 0.000 0.995 464 S CA 0.967 59.163 58.200 -0.008 0.000 0.934 464 S CB -0.922 62.273 63.200 -0.007 0.000 0.771 464 S HN 0.783 nan 8.310 nan 0.000 0.522 465 I N -2.881 117.681 120.570 -0.013 0.000 3.095 465 I HA 0.457 4.627 4.170 -0.000 0.000 0.310 465 I C -2.499 173.602 176.117 -0.025 0.000 1.196 465 I CA -2.788 58.503 61.300 -0.015 0.000 0.985 465 I CB 1.752 39.743 38.000 -0.015 0.000 1.250 465 I HN -0.353 nan 8.210 nan 0.000 0.446 466 P HA -0.027 nan 4.420 nan 0.000 0.241 466 P C 1.042 178.303 177.300 -0.065 0.000 1.191 466 P CA 0.937 64.008 63.100 -0.048 0.000 0.771 466 P CB 0.074 31.747 31.700 -0.046 0.000 0.929 467 T N -4.322 110.201 114.554 -0.053 0.000 3.054 467 T HA 0.187 4.537 4.350 -0.000 0.000 0.259 467 T C -1.524 173.144 174.700 -0.052 0.000 1.092 467 T CA -0.383 61.682 62.100 -0.058 0.000 1.121 467 T CB -1.937 66.904 68.868 -0.045 0.000 0.912 467 T HN 0.125 nan 8.240 nan 0.000 0.489 468 P HA 0.185 nan 4.420 nan 0.000 0.269 468 P C 0.132 177.412 177.300 -0.033 0.000 1.209 468 P CA -0.184 62.897 63.100 -0.031 0.000 0.776 468 P CB 0.375 32.061 31.700 -0.023 0.000 0.876 469 Q N 2.782 122.570 119.800 -0.020 0.000 2.454 469 Q HA 0.179 4.519 4.340 -0.000 0.000 0.247 469 Q C -1.900 174.105 176.000 0.008 0.000 1.028 469 Q CA -1.113 54.686 55.803 -0.007 0.000 0.910 469 Q CB -0.604 28.134 28.738 0.001 0.000 1.276 469 Q HN 0.400 nan 8.270 nan 0.000 0.489 470 P HA 0.212 nan 4.420 nan 0.000 0.285 470 P C -0.834 176.501 177.300 0.057 0.000 1.259 470 P CA -0.353 62.792 63.100 0.076 0.000 0.794 470 P CB 0.937 32.723 31.700 0.143 0.000 0.940 471 V N 5.144 125.069 119.914 0.018 0.000 2.370 471 V HA 0.374 4.494 4.120 -0.000 0.000 0.279 471 V C 0.160 176.243 176.094 -0.017 0.000 1.029 471 V CA -0.115 62.134 62.300 -0.086 0.000 0.870 471 V CB 0.227 31.972 31.823 -0.129 0.000 0.984 471 V HN 0.874 nan 8.190 nan 0.000 0.451 472 H N 2.096 121.093 119.070 -0.123 0.000 3.008 472 H HA 0.633 5.188 4.556 -0.000 0.000 0.354 472 H C -1.549 173.697 175.328 -0.137 0.000 1.252 472 H CA -1.127 54.875 56.048 -0.077 0.000 1.117 472 H CB 0.745 30.526 29.762 0.031 0.000 1.857 472 H HN 0.367 nan 8.280 nan 0.000 0.547 473 Y N 1.201 121.555 120.300 0.090 0.000 2.544 473 Y HA 0.276 4.826 4.550 -0.000 0.000 0.330 473 Y C 0.586 176.498 175.900 0.019 0.000 1.136 473 Y CA 0.307 58.416 58.100 0.014 0.000 1.417 473 Y CB 0.517 38.993 38.460 0.028 0.000 1.229 473 Y HN 0.381 nan 8.280 nan 0.000 0.532 474 R N 4.165 124.687 120.500 0.037 0.000 2.686 474 R HA 0.415 4.755 4.340 -0.000 0.000 0.283 474 R C -2.990 173.297 176.300 -0.022 0.000 0.978 474 R CA -2.358 53.739 56.100 -0.005 0.000 0.897 474 R CB 1.580 31.812 30.300 -0.114 0.000 1.192 474 R HN 0.322 nan 8.270 nan 0.000 0.457 475 P HA 0.028 nan 4.420 nan 0.000 0.268 475 P C -0.417 176.799 177.300 -0.140 0.000 1.204 475 P CA 0.260 63.326 63.100 -0.057 0.000 0.768 475 P CB 0.607 32.275 31.700 -0.054 0.000 0.842 476 M N 1.869 121.388 119.600 -0.136 0.000 2.799 476 M HA 0.337 4.817 4.480 -0.000 0.000 0.274 476 M C 1.394 177.545 176.300 -0.247 0.000 1.137 476 M CA -0.706 54.452 55.300 -0.236 0.000 0.897 476 M CB -0.471 32.071 32.600 -0.096 0.000 1.567 476 M HN 0.236 nan 8.290 nan 0.000 0.536 477 F N 0.620 120.554 119.950 -0.028 0.000 2.202 477 F HA -0.082 4.445 4.527 -0.000 0.000 0.301 477 F C 2.232 178.013 175.800 -0.033 0.000 1.082 477 F CA 1.477 59.457 58.000 -0.033 0.000 1.313 477 F CB -0.837 38.141 39.000 -0.037 0.000 1.024 477 F HN 0.747 nan 8.300 nan 0.000 0.495 478 G N -0.737 108.138 108.800 0.124 0.000 2.679 478 G HA2 0.043 4.003 3.960 -0.000 0.000 0.212 478 G HA3 0.043 4.003 3.960 -0.000 0.000 0.212 478 G C 1.459 176.377 174.900 0.031 0.000 1.137 478 G CA 0.598 45.741 45.100 0.072 0.000 0.787 478 G HN 0.424 nan 8.290 nan 0.000 0.534 479 A N -0.296 122.526 122.820 0.003 0.000 2.430 479 A HA 0.604 4.924 4.320 -0.000 0.000 0.243 479 A C 0.587 178.146 177.584 -0.042 0.000 1.254 479 A CA -0.320 51.707 52.037 -0.018 0.000 0.914 479 A CB 0.167 19.153 19.000 -0.023 0.000 0.998 479 A HN 0.246 nan 8.150 nan 0.000 0.515 480 L N -0.336 120.865 121.223 -0.037 0.000 2.307 480 L HA 0.499 4.839 4.340 -0.000 0.000 0.282 480 L C 1.658 178.469 176.870 -0.099 0.000 1.051 480 L CA -0.241 54.569 54.840 -0.050 0.000 0.804 480 L CB 1.143 43.200 42.059 -0.003 0.000 1.197 480 L HN 0.500 nan 8.230 nan 0.000 0.431 481 G N 2.109 110.826 108.800 -0.138 0.000 2.668 481 G HA2 -0.405 3.555 3.960 -0.000 0.000 0.429 481 G HA3 -0.405 3.555 3.960 -0.000 0.000 0.429 481 G C 1.139 175.768 174.900 -0.451 0.000 1.182 481 G CA 0.999 45.958 45.100 -0.236 0.000 0.911 481 G HN 0.644 nan 8.290 nan 0.000 0.631 482 S N 0.630 116.178 115.700 -0.253 0.000 2.419 482 S HA 0.055 4.525 4.470 -0.000 0.000 0.233 482 S C 2.710 177.272 174.600 -0.065 0.000 1.016 482 S CA 1.794 59.907 58.200 -0.145 0.000 0.974 482 S CB -0.482 62.724 63.200 0.011 0.000 0.786 482 S HN 1.141 nan 8.310 nan 0.000 0.492 483 A N 1.773 124.556 122.820 -0.060 0.000 1.930 483 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 483 A C 2.077 179.675 177.584 0.025 0.000 1.175 483 A CA 1.178 53.214 52.037 -0.001 0.000 0.627 483 A CB -0.471 18.538 19.000 0.015 0.000 0.815 483 A HN 0.414 nan 8.150 nan 0.000 0.443 484 R N -0.654 119.810 120.500 -0.059 0.000 2.073 484 R HA -0.188 4.152 4.340 -0.000 0.000 0.234 484 R C 1.951 178.279 176.300 0.048 0.000 1.134 484 R CA 1.997 58.076 56.100 -0.035 0.000 0.952 484 R CB -0.598 29.640 30.300 -0.104 0.000 0.850 484 R HN 0.785 nan 8.270 nan 0.000 0.433 485 H N -1.993 117.102 119.070 0.041 0.000 2.353 485 H HA -0.192 4.364 4.556 -0.000 0.000 0.298 485 H C 2.022 177.364 175.328 0.024 0.000 1.103 485 H CA 1.696 57.756 56.048 0.019 0.000 1.293 485 H CB -0.156 29.617 29.762 0.018 0.000 1.372 485 H HN 0.454 nan 8.280 nan 0.000 0.501 486 H N -0.741 118.391 119.070 0.103 0.000 2.495 486 H HA -0.006 4.550 4.556 -0.000 0.000 0.287 486 H C 1.249 176.593 175.328 0.027 0.000 1.033 486 H CA 1.059 57.137 56.048 0.049 0.000 1.307 486 H CB 0.226 30.007 29.762 0.032 0.000 1.401 486 H HN 0.310 nan 8.280 nan 0.000 0.555 487 C N 1.226 120.611 119.300 0.142 0.000 3.038 487 C HA 0.273 4.733 4.460 -0.000 0.000 0.279 487 C C 0.674 175.688 174.990 0.039 0.000 1.276 487 C CA -0.366 58.708 59.018 0.093 0.000 1.697 487 C CB -1.113 26.686 27.740 0.099 0.000 2.032 487 C HN 0.517 nan 8.230 nan 0.000 0.636 488 R N 0.120 120.630 120.500 0.016 0.000 2.892 488 R HA 0.841 5.181 4.340 -0.000 0.000 0.265 488 R C -1.527 174.717 176.300 -0.094 0.000 1.025 488 R CA -0.656 55.436 56.100 -0.015 0.000 0.982 488 R CB 0.961 31.271 30.300 0.017 0.000 1.185 488 R HN 0.091 nan 8.270 nan 0.000 0.484 489 L N 0.626 121.746 121.223 -0.172 0.000 2.362 489 L HA 0.483 4.822 4.340 -0.000 0.000 0.271 489 L C -0.647 175.978 176.870 -0.408 0.000 1.002 489 L CA -0.935 53.691 54.840 -0.357 0.000 0.818 489 L CB 2.759 44.443 42.059 -0.624 0.000 1.298 489 L HN 0.737 nan 8.230 nan 0.000 0.420 490 T N 2.144 116.478 114.554 -0.366 0.000 2.770 490 T HA 0.517 4.867 4.350 -0.000 0.000 0.283 490 T C -0.534 174.001 174.700 -0.274 0.000 0.988 490 T CA -0.261 61.697 62.100 -0.237 0.000 0.957 490 T CB 0.323 69.115 68.868 -0.127 0.000 0.930 490 T HN 0.095 nan 8.240 nan 0.000 0.443 491 F N 3.428 123.395 119.950 0.028 0.000 2.410 491 F HA 0.532 5.059 4.527 -0.000 0.000 0.348 491 F C 0.437 176.262 175.800 0.041 0.000 1.106 491 F CA -0.765 57.261 58.000 0.043 0.000 1.163 491 F CB 0.650 39.688 39.000 0.064 0.000 1.129 491 F HN 0.182 nan 8.300 nan 0.000 0.516 492 L N 1.832 123.187 121.223 0.221 0.000 2.301 492 L HA 0.522 4.862 4.340 -0.000 0.000 0.264 492 L C -0.084 176.867 176.870 0.135 0.000 1.016 492 L CA -1.083 53.838 54.840 0.134 0.000 0.821 492 L CB 2.349 44.451 42.059 0.072 0.000 1.346 492 L HN 0.644 nan 8.230 nan 0.000 0.429 493 S N -0.454 115.302 115.700 0.093 0.000 2.614 493 S HA 0.168 4.638 4.470 -0.000 0.000 0.265 493 S C 0.529 175.165 174.600 0.061 0.000 1.303 493 S CA -0.558 57.688 58.200 0.075 0.000 1.000 493 S CB 1.349 64.581 63.200 0.053 0.000 0.935 493 S HN 0.682 nan 8.310 nan 0.000 0.551 494 Q N 0.863 120.692 119.800 0.049 0.000 2.135 494 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 494 Q C 2.457 178.472 176.000 0.025 0.000 0.981 494 Q CA 1.606 57.431 55.803 0.035 0.000 0.856 494 Q CB -0.602 28.149 28.738 0.022 0.000 0.902 494 Q HN 0.919 nan 8.270 nan 0.000 0.425 495 A N 0.982 123.815 122.820 0.022 0.000 1.902 495 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 495 A C 2.286 179.879 177.584 0.015 0.000 1.181 495 A CA 1.557 53.603 52.037 0.015 0.000 0.623 495 A CB -0.808 18.200 19.000 0.013 0.000 0.818 495 A HN 0.399 nan 8.150 nan 0.000 0.443 496 A N -0.130 122.703 122.820 0.020 0.000 1.898 496 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 496 A C 2.512 180.104 177.584 0.013 0.000 1.181 496 A CA 2.018 54.065 52.037 0.016 0.000 0.620 496 A CB -1.045 17.968 19.000 0.022 0.000 0.819 496 A HN 1.053 nan 8.150 nan 0.000 0.442 497 A N -0.046 122.786 122.820 0.020 0.000 1.908 497 A HA 0.100 4.420 4.320 -0.000 0.000 0.218 497 A C 2.497 180.086 177.584 0.009 0.000 1.181 497 A CA 2.278 54.325 52.037 0.017 0.000 0.627 497 A CB -1.013 18.005 19.000 0.029 0.000 0.818 497 A HN 1.082 nan 8.150 nan 0.000 0.445 498 A N -0.153 122.673 122.820 0.010 0.000 1.930 498 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 498 A C 1.750 179.335 177.584 0.002 0.000 1.175 498 A CA 1.543 53.584 52.037 0.006 0.000 0.627 498 A CB -0.518 18.486 19.000 0.006 0.000 0.815 498 A HN 0.514 nan 8.150 nan 0.000 0.443 499 N N -0.347 118.354 118.700 0.002 0.000 2.550 499 N HA 0.054 4.794 4.740 -0.000 0.000 0.186 499 N C 1.078 176.585 175.510 -0.005 0.000 1.110 499 N CA 1.064 54.113 53.050 -0.001 0.000 0.912 499 N CB -0.083 38.404 38.487 0.000 0.000 0.968 499 N HN 0.659 nan 8.380 nan 0.000 0.448 500 G N 0.118 108.915 108.800 -0.006 0.000 2.225 500 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.264 500 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.264 500 G C 0.978 175.868 174.900 -0.017 0.000 1.060 500 G CA 0.371 45.464 45.100 -0.011 0.000 0.833 500 G HN 0.211 nan 8.290 nan 0.000 0.498 501 V N -0.034 119.871 119.914 -0.016 0.000 2.392 501 V HA -0.137 3.983 4.120 -0.000 0.000 0.249 501 V C 3.181 179.253 176.094 -0.036 0.000 1.059 501 V CA 3.080 65.366 62.300 -0.024 0.000 1.051 501 V CB -0.808 31.004 31.823 -0.018 0.000 0.658 501 V HN 1.002 nan 8.190 nan 0.000 0.455 502 A N -0.211 122.588 122.820 -0.035 0.000 1.902 502 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 502 A C 2.109 179.662 177.584 -0.051 0.000 1.181 502 A CA 1.964 53.972 52.037 -0.049 0.000 0.623 502 A CB -0.413 18.559 19.000 -0.048 0.000 0.818 502 A HN 0.551 nan 8.150 nan 0.000 0.443 503 E N -0.642 119.535 120.200 -0.039 0.000 2.072 503 E HA -0.080 4.270 4.350 -0.000 0.000 0.190 503 E C 2.145 178.723 176.600 -0.037 0.000 0.982 503 E CA 1.114 57.493 56.400 -0.036 0.000 0.803 503 E CB -0.261 29.423 29.700 -0.026 0.000 0.755 503 E HN 0.619 nan 8.360 nan 0.000 0.453 504 R N 0.308 120.787 120.500 -0.035 0.000 2.073 504 R HA -0.031 4.309 4.340 -0.000 0.000 0.234 504 R C 1.806 178.077 176.300 -0.048 0.000 1.134 504 R CA 1.121 57.199 56.100 -0.036 0.000 0.952 504 R CB -0.181 30.100 30.300 -0.031 0.000 0.850 504 R HN 0.193 nan 8.270 nan 0.000 0.433 505 L N 0.562 121.749 121.223 -0.060 0.000 2.554 505 L HA 0.035 4.375 4.340 -0.000 0.000 0.226 505 L C 0.550 177.372 176.870 -0.081 0.000 1.137 505 L CA 0.172 54.965 54.840 -0.079 0.000 0.863 505 L CB -0.353 41.650 42.059 -0.093 0.000 0.985 505 L HN 0.445 nan 8.230 nan 0.000 0.451 506 N N 1.244 119.902 118.700 -0.071 0.000 2.756 506 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 506 N C -0.444 175.005 175.510 -0.101 0.000 1.062 506 N CA -0.121 52.885 53.050 -0.073 0.000 0.696 506 N CB -0.428 38.022 38.487 -0.062 0.000 0.946 506 N HN 0.045 nan 8.380 nan 0.000 0.548 507 L N 1.457 122.615 121.223 -0.108 0.000 2.455 507 L HA 0.067 4.407 4.340 -0.000 0.000 0.272 507 L C 1.823 178.589 176.870 -0.175 0.000 1.174 507 L CA 0.763 55.517 54.840 -0.143 0.000 0.869 507 L CB 0.890 42.876 42.059 -0.121 0.000 1.130 507 L HN 0.177 nan 8.230 nan 0.000 0.474 508 R N 0.495 120.823 120.500 -0.286 0.000 2.189 508 R HA 0.157 4.497 4.340 -0.000 0.000 0.203 508 R C 0.644 176.771 176.300 -0.289 0.000 1.012 508 R CA 0.237 56.121 56.100 -0.359 0.000 1.015 508 R CB -0.006 29.865 30.300 -0.715 0.000 0.938 508 R HN 0.647 nan 8.270 nan 0.000 0.472 509 S N 0.383 115.918 115.700 -0.275 0.000 2.608 509 S HA 0.473 4.943 4.470 -0.000 0.000 0.261 509 S C 0.153 174.682 174.600 -0.118 0.000 1.314 509 S CA -0.458 57.670 58.200 -0.119 0.000 0.992 509 S CB 1.040 64.189 63.200 -0.085 0.000 0.935 509 S HN 0.392 nan 8.310 nan 0.000 0.564 510 A N 1.346 124.093 122.820 -0.121 0.000 2.445 510 A HA 0.457 4.777 4.320 -0.000 0.000 0.242 510 A C -0.101 177.386 177.584 -0.162 0.000 1.075 510 A CA -0.185 51.763 52.037 -0.148 0.000 0.777 510 A CB -0.184 18.708 19.000 -0.180 0.000 1.013 510 A HN 0.587 nan 8.150 nan 0.000 0.493 511 I N 0.699 121.188 120.570 -0.135 0.000 2.460 511 I HA 0.627 4.797 4.170 -0.000 0.000 0.298 511 I C 0.499 176.547 176.117 -0.115 0.000 0.989 511 I CA -0.137 61.086 61.300 -0.128 0.000 1.173 511 I CB 1.256 39.214 38.000 -0.070 0.000 1.338 511 I HN 0.753 nan 8.210 nan 0.000 0.456 512 A N 5.704 128.447 122.820 -0.129 0.000 2.475 512 A HA 0.801 5.121 4.320 -0.000 0.000 0.301 512 A C -1.136 176.568 177.584 0.199 0.000 1.059 512 A CA -0.507 51.531 52.037 0.000 0.000 0.710 512 A CB 1.761 20.672 19.000 -0.149 0.000 1.288 512 A HN 0.361 nan 8.150 nan 0.000 0.408 513 V N 1.879 121.968 119.914 0.291 0.000 2.581 513 V HA 0.566 4.686 4.120 -0.000 0.000 0.303 513 V C 0.364 176.678 176.094 0.367 0.000 1.041 513 V CA -0.571 61.894 62.300 0.274 0.000 0.907 513 V CB 1.531 33.447 31.823 0.155 0.000 0.994 513 V HN 1.057 nan 8.190 nan 0.000 0.442 514 V N 2.496 122.571 119.914 0.267 0.000 2.686 514 V HA 0.809 4.929 4.120 -0.000 0.000 0.295 514 V C -0.363 175.784 176.094 0.088 0.000 1.057 514 V CA -0.502 61.923 62.300 0.209 0.000 1.012 514 V CB 0.955 32.848 31.823 0.116 0.000 1.006 514 V HN 1.081 nan 8.190 nan 0.000 0.477 515 K N 1.920 122.335 120.400 0.025 0.000 2.587 515 K HA 0.697 5.017 4.320 -0.000 0.000 0.276 515 K C 0.107 176.675 176.600 -0.053 0.000 0.956 515 K CA -0.556 55.700 56.287 -0.051 0.000 0.857 515 K CB 1.449 33.869 32.500 -0.133 0.000 1.431 515 K HN 1.918 nan 8.250 nan 0.000 0.420 516 G N 0.670 109.440 108.800 -0.049 0.000 2.149 516 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.235 516 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.235 516 G C 0.546 175.419 174.900 -0.045 0.000 1.018 516 G CA 0.115 45.188 45.100 -0.046 0.000 0.728 516 G HN 0.665 nan 8.290 nan 0.000 0.508 517 C N -0.229 119.043 119.300 -0.047 0.000 2.468 517 C HA 0.153 4.613 4.460 -0.000 0.000 0.277 517 C C 2.537 177.482 174.990 -0.075 0.000 1.400 517 C CA 0.995 59.970 59.018 -0.071 0.000 1.770 517 C CB -0.478 27.222 27.740 -0.067 0.000 1.905 517 C HN 0.580 nan 8.230 nan 0.000 0.519 518 R N 1.089 121.555 120.500 -0.056 0.000 2.223 518 R HA 0.006 4.346 4.340 -0.000 0.000 0.198 518 R C 1.951 178.223 176.300 -0.048 0.000 0.984 518 R CA 1.496 57.566 56.100 -0.051 0.000 1.018 518 R CB -1.237 29.039 30.300 -0.040 0.000 0.945 518 R HN 0.692 nan 8.270 nan 0.000 0.479 519 T N -1.111 113.416 114.554 -0.046 0.000 3.081 519 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 519 T C 1.105 175.778 174.700 -0.045 0.000 1.100 519 T CA -0.202 61.874 62.100 -0.041 0.000 1.038 519 T CB -0.326 68.521 68.868 -0.035 0.000 0.962 519 T HN -0.032 nan 8.240 nan 0.000 0.516 520 V N 1.528 121.408 119.914 -0.057 0.000 2.686 520 V HA 0.577 4.697 4.120 -0.000 0.000 0.295 520 V C -0.332 175.724 176.094 -0.063 0.000 1.055 520 V CA -1.039 61.223 62.300 -0.064 0.000 1.050 520 V CB 0.618 32.391 31.823 -0.083 0.000 0.984 520 V HN 0.683 nan 8.190 nan 0.000 0.482 521 Q N 1.912 121.679 119.800 -0.056 0.000 2.615 521 Q HA 0.536 4.876 4.340 -0.000 0.000 0.298 521 Q C 0.384 176.354 176.000 -0.050 0.000 1.023 521 Q CA -1.112 54.661 55.803 -0.048 0.000 0.768 521 Q CB 1.630 30.349 28.738 -0.032 0.000 1.500 521 Q HN 0.360 nan 8.270 nan 0.000 0.441 522 K N 0.889 121.265 120.400 -0.041 0.000 2.089 522 K HA -0.163 4.157 4.320 -0.000 0.000 0.210 522 K C 1.807 178.388 176.600 -0.032 0.000 1.048 522 K CA 2.509 58.773 56.287 -0.038 0.000 0.926 522 K CB -0.910 31.577 32.500 -0.022 0.000 0.714 522 K HN 0.687 nan 8.250 nan 0.000 0.448 523 A N 0.558 123.363 122.820 -0.025 0.000 2.131 523 A HA -0.150 4.170 4.320 -0.000 0.000 0.220 523 A C 1.351 178.919 177.584 -0.028 0.000 1.158 523 A CA 1.929 53.955 52.037 -0.019 0.000 0.665 523 A CB -0.426 18.566 19.000 -0.014 0.000 0.795 523 A HN 0.416 nan 8.150 nan 0.000 0.460 524 D N -0.630 119.745 120.400 -0.042 0.000 2.348 524 D HA 0.038 4.678 4.640 -0.000 0.000 0.211 524 D C 0.329 176.584 176.300 -0.076 0.000 0.998 524 D CA 0.251 54.218 54.000 -0.054 0.000 0.873 524 D CB -0.096 40.671 40.800 -0.055 0.000 0.925 524 D HN 0.288 nan 8.370 nan 0.000 0.524 525 M N 1.800 121.357 119.600 -0.073 0.000 2.251 525 M HA 0.062 4.542 4.480 -0.000 0.000 0.346 525 M C 0.003 176.240 176.300 -0.104 0.000 1.499 525 M CA -0.209 55.038 55.300 -0.088 0.000 1.128 525 M CB 0.703 33.262 32.600 -0.069 0.000 1.809 525 M HN -0.323 nan 8.290 nan 0.000 0.464 526 V N 6.437 126.245 119.914 -0.177 0.000 2.509 526 V HA -0.090 4.029 4.120 -0.000 0.000 0.297 526 V C 1.135 177.102 176.094 -0.211 0.000 1.014 526 V CA 0.387 62.503 62.300 -0.306 0.000 1.127 526 V CB -0.868 30.666 31.823 -0.482 0.000 0.925 526 V HN 0.896 nan 8.190 nan 0.000 0.480 527 H N 2.751 121.848 119.070 0.046 0.000 3.179 527 H HA -0.159 4.397 4.556 -0.000 0.000 0.250 527 H C 0.588 175.947 175.328 0.051 0.000 1.142 527 H CA 1.336 57.440 56.048 0.095 0.000 1.165 527 H CB -1.298 28.457 29.762 -0.013 0.000 1.253 527 H HN 0.852 nan 8.280 nan 0.000 0.325 528 N N 0.013 118.766 118.700 0.089 0.000 2.687 528 N HA 0.121 4.861 4.740 -0.000 0.000 0.275 528 N C 0.128 175.653 175.510 0.026 0.000 1.789 528 N CA 0.642 53.721 53.050 0.048 0.000 0.806 528 N CB 0.991 39.482 38.487 0.006 0.000 1.256 528 N HN 0.284 nan 8.380 nan 0.000 0.500 529 S N -0.705 115.021 115.700 0.043 0.000 2.663 529 S HA 0.159 4.629 4.470 -0.000 0.000 0.243 529 S C 0.365 174.980 174.600 0.026 0.000 1.009 529 S CA -0.429 57.784 58.200 0.021 0.000 0.988 529 S CB 0.264 63.475 63.200 0.018 0.000 0.896 529 S HN 0.249 nan 8.310 nan 0.000 0.502 530 L N 2.610 123.856 121.223 0.039 0.000 2.455 530 L HA 0.339 4.679 4.340 -0.000 0.000 0.272 530 L C -0.135 176.749 176.870 0.023 0.000 1.174 530 L CA 0.837 55.697 54.840 0.034 0.000 0.869 530 L CB 0.520 42.606 42.059 0.044 0.000 1.130 530 L HN 0.291 nan 8.230 nan 0.000 0.474 531 Q N 7.058 126.863 119.800 0.008 0.000 2.571 531 Q HA 0.392 4.732 4.340 -0.000 0.000 0.243 531 Q C -2.239 173.753 176.000 -0.013 0.000 1.055 531 Q CA -1.736 54.063 55.803 -0.008 0.000 0.815 531 Q CB 1.037 29.758 28.738 -0.029 0.000 1.151 531 Q HN 0.546 nan 8.270 nan 0.000 0.519 532 P HA 0.075 nan 4.420 nan 0.000 0.281 532 P C -0.632 176.659 177.300 -0.016 0.000 1.249 532 P CA -0.512 62.587 63.100 -0.001 0.000 0.810 532 P CB 0.911 32.621 31.700 0.016 0.000 1.008 533 N N 2.370 121.059 118.700 -0.018 0.000 2.739 533 N HA 0.139 4.879 4.740 -0.000 0.000 0.266 533 N C -0.562 174.943 175.510 -0.008 0.000 1.168 533 N CA -0.218 52.818 53.050 -0.024 0.000 1.055 533 N CB -1.019 37.455 38.487 -0.022 0.000 1.393 533 N HN 0.418 nan 8.380 nan 0.000 0.514 534 I N 2.134 122.704 120.570 0.000 0.000 2.392 534 I HA 0.461 4.631 4.170 -0.000 0.000 0.295 534 I C -0.361 175.768 176.117 0.021 0.000 0.985 534 I CA -0.339 60.971 61.300 0.016 0.000 1.221 534 I CB 1.155 39.177 38.000 0.036 0.000 1.366 534 I HN 0.470 nan 8.210 nan 0.000 0.467 535 T N 3.891 118.456 114.554 0.019 0.000 2.906 535 T HA 0.686 5.036 4.350 -0.000 0.000 0.295 535 T C -0.919 173.796 174.700 0.025 0.000 1.061 535 T CA -0.722 61.389 62.100 0.020 0.000 1.000 535 T CB 1.856 70.730 68.868 0.010 0.000 1.103 535 T HN 0.285 nan 8.240 nan 0.000 0.486 536 V N 1.842 121.774 119.914 0.029 0.000 2.531 536 V HA 0.392 4.512 4.120 -0.000 0.000 0.301 536 V C -0.408 175.713 176.094 0.045 0.000 1.034 536 V CA -0.899 61.427 62.300 0.044 0.000 0.865 536 V CB 1.723 33.577 31.823 0.052 0.000 0.995 536 V HN 1.058 nan 8.190 nan 0.000 0.424 537 D N 3.556 123.988 120.400 0.054 0.000 2.358 537 D HA 0.221 4.861 4.640 -0.000 0.000 0.258 537 D C 1.130 177.474 176.300 0.073 0.000 1.223 537 D CA 0.460 54.481 54.000 0.034 0.000 0.886 537 D CB 2.032 42.837 40.800 0.008 0.000 1.120 537 D HN 0.678 nan 8.370 nan 0.000 0.482 538 A N 4.306 127.149 122.820 0.039 0.000 1.986 538 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 538 A C 1.913 179.528 177.584 0.053 0.000 1.171 538 A CA 1.648 53.722 52.037 0.063 0.000 0.640 538 A CB -0.106 18.881 19.000 -0.020 0.000 0.811 538 A HN 0.662 nan 8.150 nan 0.000 0.451 539 Q N -1.304 118.456 119.800 -0.066 0.000 2.178 539 Q HA -0.012 4.328 4.340 -0.000 0.000 0.195 539 Q C 2.209 177.938 176.000 -0.452 0.000 0.960 539 Q CA 1.688 57.374 55.803 -0.196 0.000 0.843 539 Q CB -0.258 28.403 28.738 -0.127 0.000 0.927 539 Q HN 0.769 nan 8.270 nan 0.000 0.487 540 T N -3.258 111.113 114.554 -0.305 0.000 3.067 540 T HA -0.013 4.337 4.350 -0.000 0.000 0.257 540 T C -0.129 174.425 174.700 -0.243 0.000 1.105 540 T CA 0.131 62.041 62.100 -0.317 0.000 1.104 540 T CB 0.006 68.794 68.868 -0.134 0.000 0.925 540 T HN 0.273 nan 8.240 nan 0.000 0.498 541 Y N 0.442 120.731 120.300 -0.019 0.000 4.907 541 Y HA -0.184 4.366 4.550 -0.000 0.000 0.246 541 Y C 0.254 176.139 175.900 -0.026 0.000 0.968 541 Y CA -0.324 57.763 58.100 -0.021 0.000 1.961 541 Y CB -2.908 35.538 38.460 -0.023 0.000 1.487 541 Y HN 0.506 nan 8.280 nan 0.000 0.575 542 E N 0.449 120.706 120.200 0.095 0.000 2.384 542 E HA 0.344 4.694 4.350 -0.000 0.000 0.266 542 E C 0.031 176.654 176.600 0.039 0.000 1.012 542 E CA -0.095 56.333 56.400 0.046 0.000 0.901 542 E CB 1.087 30.796 29.700 0.015 0.000 0.967 542 E HN 0.032 nan 8.360 nan 0.000 0.435 543 V N 4.555 124.481 119.914 0.020 0.000 2.439 543 V HA 0.367 4.487 4.120 -0.000 0.000 0.282 543 V C 0.139 176.236 176.094 0.005 0.000 1.039 543 V CA -0.373 61.934 62.300 0.012 0.000 0.913 543 V CB 1.148 32.967 31.823 -0.006 0.000 0.983 543 V HN 0.618 nan 8.190 nan 0.000 0.460 544 R N 2.892 123.397 120.500 0.008 0.000 2.673 544 R HA 0.752 5.092 4.340 -0.000 0.000 0.281 544 R C -1.770 174.533 176.300 0.004 0.000 0.991 544 R CA -0.723 55.379 56.100 0.004 0.000 0.896 544 R CB 2.637 32.939 30.300 0.004 0.000 1.201 544 R HN 0.484 nan 8.270 nan 0.000 0.457 545 V N 3.073 122.988 119.914 0.002 0.000 2.407 545 V HA 0.174 4.294 4.120 -0.000 0.000 0.291 545 V C -0.233 175.861 176.094 0.001 0.000 1.018 545 V CA -0.529 61.772 62.300 0.002 0.000 0.842 545 V CB 1.525 33.349 31.823 0.003 0.000 0.996 545 V HN 0.879 nan 8.190 nan 0.000 0.426 546 D N 4.294 124.693 120.400 -0.001 0.000 2.911 546 D HA -0.217 4.423 4.640 -0.000 0.000 0.227 546 D C 1.345 177.644 176.300 -0.001 0.000 1.164 546 D CA 1.739 55.737 54.000 -0.002 0.000 0.782 546 D CB -1.059 39.740 40.800 -0.002 0.000 1.094 546 D HN 1.377 nan 8.370 nan 0.000 0.425 547 G N 0.047 108.847 108.800 -0.001 0.000 2.284 547 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.247 547 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.247 547 G C 0.130 175.030 174.900 0.000 0.000 1.012 547 G CA 0.658 45.758 45.100 -0.001 0.000 0.618 547 G HN 0.698 nan 8.290 nan 0.000 0.521 548 E N 1.214 121.415 120.200 0.001 0.000 2.338 548 E HA 0.544 4.894 4.350 -0.000 0.000 0.272 548 E C 0.145 176.746 176.600 0.002 0.000 1.029 548 E CA -0.938 55.463 56.400 0.002 0.000 0.872 548 E CB 1.636 31.338 29.700 0.003 0.000 1.015 548 E HN 0.462 nan 8.360 nan 0.000 0.417 549 L N 4.436 125.660 121.223 0.003 0.000 2.410 549 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 549 L C -0.810 176.061 176.870 0.002 0.000 1.152 549 L CA -0.123 54.718 54.840 0.002 0.000 0.855 549 L CB 0.492 42.553 42.059 0.004 0.000 1.129 549 L HN 0.571 nan 8.230 nan 0.000 0.463 550 I N 5.090 125.659 120.570 -0.003 0.000 2.377 550 I HA 0.537 4.707 4.170 -0.000 0.000 0.293 550 I C 0.310 176.420 176.117 -0.011 0.000 0.987 550 I CA -0.102 61.193 61.300 -0.008 0.000 1.185 550 I CB 0.909 38.896 38.000 -0.021 0.000 1.341 550 I HN 0.732 nan 8.210 nan 0.000 0.455 551 T N 3.889 118.443 114.554 -0.000 0.000 2.700 551 T HA 0.653 5.003 4.350 -0.000 0.000 0.307 551 T C -1.256 173.468 174.700 0.040 0.000 1.580 551 T CA -0.290 61.815 62.100 0.008 0.000 0.992 551 T CB 1.385 70.263 68.868 0.018 0.000 1.577 551 T HN 0.840 nan 8.240 nan 0.000 0.496 552 S N 0.807 116.558 115.700 0.085 0.000 2.643 552 S HA 0.755 5.225 4.470 -0.000 0.000 0.270 552 S C -1.851 172.877 174.600 0.213 0.000 1.166 552 S CA -1.000 57.277 58.200 0.128 0.000 0.815 552 S CB 1.844 65.125 63.200 0.135 0.000 1.139 552 S HN 0.650 nan 8.310 nan 0.000 0.472 553 E N 1.787 122.072 120.200 0.142 0.000 2.214 553 E HA 0.522 4.872 4.350 -0.000 0.000 0.274 553 E C -2.596 173.955 176.600 -0.081 0.000 0.977 553 E CA -2.239 54.202 56.400 0.067 0.000 0.827 553 E CB 1.393 31.103 29.700 0.016 0.000 1.130 553 E HN 0.495 nan 8.360 nan 0.000 0.394 554 P HA 0.148 nan 4.420 nan 0.000 0.276 554 P C -0.856 176.267 177.300 -0.294 0.000 1.230 554 P CA -0.271 62.396 63.100 -0.722 0.000 0.776 554 P CB 0.878 31.973 31.700 -1.009 0.000 0.888 555 A N 3.223 125.924 122.820 -0.198 0.000 2.371 555 A HA 0.237 4.557 4.320 -0.000 0.000 0.257 555 A C 1.201 178.738 177.584 -0.079 0.000 1.089 555 A CA -0.370 51.618 52.037 -0.081 0.000 0.794 555 A CB 0.097 19.090 19.000 -0.013 0.000 1.029 555 A HN 0.655 nan 8.150 nan 0.000 0.488 556 D N 0.608 120.982 120.400 -0.043 0.000 2.338 556 D HA 0.093 4.733 4.640 -0.000 0.000 0.208 556 D C 0.085 176.377 176.300 -0.013 0.000 0.997 556 D CA 0.560 54.540 54.000 -0.033 0.000 0.880 556 D CB 0.027 40.811 40.800 -0.026 0.000 0.980 556 D HN 0.199 nan 8.370 nan 0.000 0.509 557 V N 0.901 120.815 119.914 0.001 0.000 2.808 557 V HA 0.419 4.539 4.120 -0.000 0.000 0.308 557 V C -0.624 175.480 176.094 0.016 0.000 1.099 557 V CA -0.865 61.440 62.300 0.008 0.000 0.920 557 V CB 2.696 34.525 31.823 0.009 0.000 1.014 557 V HN 0.057 nan 8.190 nan 0.000 0.425 558 L N 4.383 125.610 121.223 0.005 0.000 2.354 558 L HA 0.668 5.008 4.340 -0.000 0.000 0.264 558 L C -2.444 174.395 176.870 -0.052 0.000 1.008 558 L CA -1.742 53.088 54.840 -0.017 0.000 0.819 558 L CB 2.876 44.938 42.059 0.006 0.000 1.339 558 L HN 0.463 nan 8.230 nan 0.000 0.420 559 P HA 0.366 nan 4.420 nan 0.000 0.282 559 P C -0.353 176.953 177.300 0.010 0.000 1.287 559 P CA -0.585 62.438 63.100 -0.128 0.000 0.792 559 P CB 0.410 31.902 31.700 -0.346 0.000 1.163 560 M N -2.588 117.088 119.600 0.126 0.000 2.393 560 M HA -0.279 4.201 4.480 -0.000 0.000 0.201 560 M C 0.239 176.717 176.300 0.298 0.000 0.403 560 M CA 0.783 56.165 55.300 0.137 0.000 0.471 560 M CB -2.139 30.449 32.600 -0.020 0.000 1.669 560 M HN 0.495 nan 8.290 nan 0.000 0.864 561 A N -0.322 122.705 122.820 0.344 0.000 2.677 561 A HA 0.305 4.625 4.320 -0.000 0.000 0.197 561 A C 1.026 178.827 177.584 0.362 0.000 1.471 561 A CA 0.202 52.435 52.037 0.327 0.000 1.527 561 A CB 0.035 19.124 19.000 0.148 0.000 1.695 561 A HN 0.449 nan 8.150 nan 0.000 0.557 562 Q N -0.200 119.710 119.800 0.183 0.000 2.443 562 Q HA -0.126 4.214 4.340 -0.000 0.000 0.213 562 Q C 1.876 177.894 176.000 0.031 0.000 0.982 562 Q CA 1.308 57.183 55.803 0.120 0.000 0.894 562 Q CB -0.118 28.652 28.738 0.054 0.000 0.947 562 Q HN 0.534 nan 8.270 nan 0.000 0.480 563 R N -0.635 119.835 120.500 -0.051 0.000 2.240 563 R HA -0.084 4.256 4.340 -0.000 0.000 0.203 563 R C 0.690 176.696 176.300 -0.490 0.000 1.011 563 R CA 0.861 56.768 56.100 -0.322 0.000 1.007 563 R CB 0.326 30.312 30.300 -0.523 0.000 0.911 563 R HN 0.277 nan 8.270 nan 0.000 0.468 564 Y N -1.871 118.361 120.300 -0.113 0.000 2.535 564 Y HA 0.259 4.809 4.550 -0.000 0.000 0.264 564 Y C -0.041 175.588 175.900 -0.451 0.000 1.087 564 Y CA -0.482 57.439 58.100 -0.299 0.000 1.285 564 Y CB 0.495 38.650 38.460 -0.509 0.000 1.200 564 Y HN -0.171 nan 8.280 nan 0.000 0.514 565 F N 0.124 120.188 119.950 0.190 0.000 2.404 565 F HA 0.265 4.792 4.527 -0.000 0.000 0.339 565 F C 0.851 176.668 175.800 0.029 0.000 1.105 565 F CA -0.792 57.283 58.000 0.126 0.000 1.087 565 F CB 1.341 40.418 39.000 0.127 0.000 1.143 565 F HN -0.188 nan 8.300 nan 0.000 0.491 566 L N 2.168 123.486 121.223 0.158 0.000 2.217 566 L HA 0.167 4.507 4.340 -0.000 0.000 0.211 566 L C -0.431 176.216 176.870 -0.372 0.000 1.107 566 L CA 1.718 56.480 54.840 -0.131 0.000 0.783 566 L CB -0.343 41.626 42.059 -0.150 0.000 0.919 566 L HN 0.449 nan 8.230 nan 0.000 0.442 567 F N 0.000 120.040 119.950 0.151 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.052 58.000 0.086 0.000 1.383 567 F CB 0.000 39.031 39.000 0.052 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574