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 2kau_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 HLDMLMVCHH 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 0.029 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 0.216 118.933 118.700 0.029 0.000 2.277 3 N HA 0.728 5.468 4.740 -0.000 0.000 0.286 3 N C -1.789 173.744 175.510 0.037 0.000 1.140 3 N CA -0.319 52.741 53.050 0.018 0.000 0.799 3 N CB 2.427 40.917 38.487 0.005 0.000 1.596 3 N HN 0.762 nan 8.380 nan 0.000 0.473 4 I N 0.538 121.131 120.570 0.038 0.000 2.722 4 I HA 0.307 4.477 4.170 -0.000 0.000 0.295 4 I C -0.033 176.115 176.117 0.053 0.000 1.161 4 I CA -0.504 60.843 61.300 0.078 0.000 1.032 4 I CB 1.794 39.899 38.000 0.174 0.000 1.244 4 I HN 0.620 nan 8.210 nan 0.000 0.421 5 S N 6.186 121.922 115.700 0.059 0.000 2.585 5 S HA 0.332 4.802 4.470 -0.000 0.000 0.273 5 S C 1.060 175.704 174.600 0.073 0.000 1.339 5 S CA -0.456 57.768 58.200 0.040 0.000 1.028 5 S CB 1.522 64.743 63.200 0.035 0.000 0.906 5 S HN 0.803 nan 8.310 nan 0.000 0.528 6 R N 0.514 121.035 120.500 0.034 0.000 2.105 6 R HA -0.168 4.172 4.340 -0.000 0.000 0.239 6 R C 2.380 178.755 176.300 0.125 0.000 1.135 6 R CA 1.867 58.000 56.100 0.055 0.000 0.967 6 R CB -0.474 29.827 30.300 0.001 0.000 0.861 6 R HN 0.811 nan 8.270 nan 0.000 0.442 7 Q N 0.613 120.465 119.800 0.086 0.000 2.046 7 Q HA -0.064 4.276 4.340 -0.000 0.000 0.200 7 Q C 1.887 177.939 176.000 0.088 0.000 0.975 7 Q CA 2.108 57.959 55.803 0.081 0.000 0.836 7 Q CB -0.321 28.447 28.738 0.049 0.000 0.896 7 Q HN 0.296 nan 8.270 nan 0.000 0.428 8 A N -0.686 122.184 122.820 0.083 0.000 1.972 8 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 8 A C 2.042 179.674 177.584 0.079 0.000 1.169 8 A CA 1.454 53.525 52.037 0.058 0.000 0.635 8 A CB -1.036 17.997 19.000 0.055 0.000 0.810 8 A HN 0.625 nan 8.150 nan 0.000 0.446 9 Y N 0.496 120.840 120.300 0.074 0.000 2.114 9 Y HA -0.094 4.456 4.550 -0.000 0.000 0.284 9 Y C 2.692 178.692 175.900 0.166 0.000 1.143 9 Y CA 1.498 59.708 58.100 0.183 0.000 1.135 9 Y CB -0.478 38.069 38.460 0.145 0.000 0.980 9 Y HN 0.313 nan 8.280 nan 0.000 0.499 10 A N 0.208 123.197 122.820 0.281 0.000 1.908 10 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 10 A C 1.899 179.499 177.584 0.028 0.000 1.181 10 A CA 2.159 54.306 52.037 0.184 0.000 0.627 10 A CB -0.938 18.161 19.000 0.165 0.000 0.818 10 A HN 0.565 nan 8.150 nan 0.000 0.445 11 D N -0.899 119.494 120.400 -0.013 0.000 2.178 11 D HA -0.118 4.522 4.640 -0.000 0.000 0.201 11 D C 1.951 178.138 176.300 -0.187 0.000 0.980 11 D CA 1.260 55.218 54.000 -0.070 0.000 0.842 11 D CB -0.234 40.534 40.800 -0.053 0.000 0.948 11 D HN 0.506 nan 8.370 nan 0.000 0.472 12 M N -1.296 118.087 119.600 -0.361 0.000 2.299 12 M HA 0.022 4.502 4.480 -0.000 0.000 0.264 12 M C 0.809 176.581 176.300 -0.880 0.000 1.095 12 M CA 1.045 55.900 55.300 -0.741 0.000 1.165 12 M CB 0.262 32.131 32.600 -1.217 0.000 1.349 12 M HN -0.073 nan 8.290 nan 0.000 0.446 13 F N -0.277 119.506 119.950 -0.278 0.000 2.706 13 F HA 0.477 5.004 4.527 -0.000 0.000 0.313 13 F C 0.946 176.700 175.800 -0.076 0.000 1.096 13 F CA -0.015 57.851 58.000 -0.223 0.000 1.219 13 F CB 0.169 38.919 39.000 -0.417 0.000 1.051 13 F HN 0.217 nan 8.300 nan 0.000 0.568 14 G N 1.473 110.318 108.800 0.075 0.000 2.707 14 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 14 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 14 G C -3.026 172.004 174.900 0.216 0.000 1.315 14 G CA -1.359 43.820 45.100 0.131 0.000 0.832 14 G HN -0.057 nan 8.290 nan 0.000 0.573 15 P HA 0.443 nan 4.420 nan 0.000 0.272 15 P C 0.058 177.511 177.300 0.255 0.000 1.230 15 P CA 0.405 63.632 63.100 0.212 0.000 0.788 15 P CB 1.623 33.406 31.700 0.138 0.000 0.949 16 T N -0.410 114.284 114.554 0.233 0.000 2.858 16 T HA 0.280 4.630 4.350 -0.000 0.000 0.285 16 T C -0.488 174.290 174.700 0.130 0.000 1.052 16 T CA -0.784 61.442 62.100 0.210 0.000 1.009 16 T CB 0.678 69.680 68.868 0.223 0.000 1.241 16 T HN 0.112 nan 8.240 nan 0.000 0.542 17 V N 2.508 122.496 119.914 0.123 0.000 2.717 17 V HA 0.279 4.399 4.120 -0.000 0.000 0.302 17 V C 1.863 177.994 176.094 0.061 0.000 1.097 17 V CA 1.807 64.159 62.300 0.087 0.000 1.262 17 V CB -0.358 31.518 31.823 0.088 0.000 0.846 17 V HN 1.341 nan 8.190 nan 0.000 0.485 18 G N 3.759 112.590 108.800 0.053 0.000 2.279 18 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.223 18 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.223 18 G C -0.048 174.876 174.900 0.040 0.000 1.015 18 G CA 0.007 45.129 45.100 0.037 0.000 0.621 18 G HN 0.671 nan 8.290 nan 0.000 0.506 19 D N 1.775 122.210 120.400 0.059 0.000 2.382 19 D HA 0.518 5.158 4.640 -0.000 0.000 0.245 19 D C 0.621 176.973 176.300 0.087 0.000 1.120 19 D CA 0.483 54.527 54.000 0.073 0.000 0.890 19 D CB 0.975 41.833 40.800 0.096 0.000 1.201 19 D HN 0.451 nan 8.370 nan 0.000 0.433 20 K N 0.287 120.756 120.400 0.116 0.000 2.208 20 K HA 0.683 5.002 4.320 -0.000 0.000 0.247 20 K C -0.882 175.877 176.600 0.264 0.000 0.953 20 K CA -0.956 55.446 56.287 0.191 0.000 0.837 20 K CB 2.113 34.735 32.500 0.203 0.000 1.131 20 K HN 0.082 nan 8.250 nan 0.000 0.431 21 V N 1.605 121.652 119.914 0.222 0.000 2.760 21 V HA 0.375 4.494 4.120 -0.000 0.000 0.309 21 V C -0.635 175.316 176.094 -0.239 0.000 1.077 21 V CA -0.990 61.329 62.300 0.031 0.000 0.910 21 V CB 1.796 33.581 31.823 -0.062 0.000 1.008 21 V HN 0.685 nan 8.190 nan 0.000 0.424 22 R N 3.727 123.849 120.500 -0.629 0.000 2.308 22 R HA 0.530 4.870 4.340 -0.000 0.000 0.305 22 R C -0.918 175.001 176.300 -0.635 0.000 1.053 22 R CA -0.511 54.932 56.100 -1.095 0.000 0.957 22 R CB 0.621 30.149 30.300 -1.287 0.000 1.022 22 R HN 0.719 nan 8.270 nan 0.000 0.461 23 L N 6.421 127.275 121.223 -0.615 0.000 2.312 23 L HA 0.271 4.611 4.340 -0.000 0.000 0.287 23 L C 1.041 177.701 176.870 -0.349 0.000 1.091 23 L CA 0.239 54.756 54.840 -0.539 0.000 0.846 23 L CB 0.422 42.062 42.059 -0.699 0.000 1.219 23 L HN 1.129 nan 8.230 nan 0.000 0.439 24 A N 4.017 126.689 122.820 -0.247 0.000 5.479 24 A HA -0.311 4.009 4.320 -0.000 0.000 0.301 24 A C 0.736 178.229 177.584 -0.153 0.000 1.961 24 A CA 1.328 53.267 52.037 -0.163 0.000 0.716 24 A CB -1.078 17.816 19.000 -0.176 0.000 1.266 24 A HN 0.945 nan 8.150 nan 0.000 0.372 25 D N 0.167 120.529 120.400 -0.063 0.000 2.525 25 D HA 0.364 5.004 4.640 -0.000 0.000 0.229 25 D C 0.678 176.911 176.300 -0.111 0.000 1.202 25 D CA 0.993 54.946 54.000 -0.078 0.000 0.828 25 D CB -1.014 39.774 40.800 -0.020 0.000 1.008 25 D HN 1.101 nan 8.370 nan 0.000 0.493 26 T N -2.957 111.510 114.554 -0.144 0.000 2.852 26 T HA 0.273 4.623 4.350 -0.000 0.000 0.281 26 T C 0.793 175.508 174.700 0.025 0.000 0.993 26 T CA -0.536 61.528 62.100 -0.059 0.000 0.933 26 T CB 1.618 70.479 68.868 -0.010 0.000 1.187 26 T HN -0.217 nan 8.240 nan 0.000 0.559 27 E N -0.044 120.318 120.200 0.269 0.000 2.463 27 E HA 0.274 4.624 4.350 -0.000 0.000 0.193 27 E C -0.004 176.665 176.600 0.116 0.000 1.041 27 E CA -0.088 56.414 56.400 0.169 0.000 0.879 27 E CB -0.167 29.612 29.700 0.132 0.000 0.997 27 E HN 0.546 nan 8.360 nan 0.000 0.478 28 L N 0.622 121.829 121.223 -0.027 0.000 2.305 28 L HA 0.252 4.592 4.340 -0.000 0.000 0.281 28 L C -0.431 176.303 176.870 -0.227 0.000 1.085 28 L CA -0.319 54.494 54.840 -0.045 0.000 0.813 28 L CB 0.465 42.474 42.059 -0.085 0.000 1.157 28 L HN -0.084 nan 8.230 nan 0.000 0.436 29 W N 4.671 125.921 121.300 -0.083 0.000 2.656 29 W HA 0.616 5.276 4.660 -0.000 0.000 0.327 29 W C -0.181 176.277 176.519 -0.103 0.000 1.041 29 W CA -0.470 56.818 57.345 -0.094 0.000 1.229 29 W CB 1.478 30.904 29.460 -0.056 0.000 1.397 29 W HN 0.242 nan 8.180 nan 0.000 0.479 30 I N -0.394 120.209 120.570 0.054 0.000 2.707 30 I HA 0.695 4.865 4.170 -0.000 0.000 0.309 30 I C -0.532 175.620 176.117 0.059 0.000 1.001 30 I CA -1.106 60.193 61.300 -0.001 0.000 1.129 30 I CB 2.201 40.120 38.000 -0.135 0.000 1.308 30 I HN 0.422 nan 8.210 nan 0.000 0.466 31 E N 3.675 123.901 120.200 0.043 0.000 2.224 31 E HA 0.392 4.742 4.350 -0.000 0.000 0.265 31 E C -1.396 175.226 176.600 0.036 0.000 0.878 31 E CA -0.884 55.548 56.400 0.053 0.000 0.759 31 E CB 2.375 32.106 29.700 0.051 0.000 1.164 31 E HN 0.605 nan 8.360 nan 0.000 0.414 32 V N 5.240 125.181 119.914 0.045 0.000 2.475 32 V HA -0.076 4.044 4.120 -0.000 0.000 0.292 32 V C 0.982 177.107 176.094 0.052 0.000 1.003 32 V CA 0.890 63.219 62.300 0.049 0.000 1.120 32 V CB 0.438 32.306 31.823 0.074 0.000 0.937 32 V HN 0.830 nan 8.190 nan 0.000 0.476 33 E N 2.429 122.658 120.200 0.047 0.000 2.230 33 E HA 0.058 4.408 4.350 -0.000 0.000 0.192 33 E C 0.171 176.810 176.600 0.065 0.000 0.987 33 E CA 0.424 56.857 56.400 0.056 0.000 0.841 33 E CB 0.385 30.121 29.700 0.059 0.000 0.783 33 E HN 0.783 nan 8.360 nan 0.000 0.481 34 D N -0.717 119.726 120.400 0.072 0.000 2.623 34 D HA 0.168 4.808 4.640 -0.000 0.000 0.241 34 D C -2.058 174.287 176.300 0.074 0.000 1.241 34 D CA -0.604 53.439 54.000 0.073 0.000 0.788 34 D CB 1.833 42.685 40.800 0.086 0.000 1.413 34 D HN -0.203 nan 8.370 nan 0.000 0.429 35 D N 2.256 122.686 120.400 0.049 0.000 2.686 35 D HA 0.225 4.865 4.640 -0.000 0.000 0.249 35 D C 0.021 176.306 176.300 -0.026 0.000 1.260 35 D CA -0.403 53.617 54.000 0.033 0.000 0.910 35 D CB 1.559 42.383 40.800 0.040 0.000 1.323 35 D HN 0.163 nan 8.370 nan 0.000 0.561 36 L N 2.496 123.721 121.223 0.003 0.000 2.627 36 L HA 0.154 4.494 4.340 -0.000 0.000 0.233 36 L C 1.414 178.249 176.870 -0.059 0.000 1.144 36 L CA 0.505 55.335 54.840 -0.016 0.000 0.892 36 L CB -0.609 41.468 42.059 0.030 0.000 1.039 36 L HN 0.361 nan 8.230 nan 0.000 0.442 37 T N -1.130 113.358 114.554 -0.110 0.000 2.847 37 T HA 0.292 4.642 4.350 -0.000 0.000 0.279 37 T C 0.190 174.729 174.700 -0.268 0.000 0.984 37 T CA -0.209 61.805 62.100 -0.144 0.000 0.988 37 T CB 0.743 69.550 68.868 -0.103 0.000 1.040 37 T HN 0.054 nan 8.240 nan 0.000 0.528 38 T N 3.318 117.757 114.554 -0.192 0.000 2.821 38 T HA 0.359 4.709 4.350 -0.000 0.000 0.307 38 T C -0.790 173.840 174.700 -0.117 0.000 1.034 38 T CA -0.169 61.823 62.100 -0.179 0.000 0.953 38 T CB -0.230 68.594 68.868 -0.073 0.000 0.968 38 T HN 0.516 nan 8.240 nan 0.000 0.462 39 Y N 1.934 122.215 120.300 -0.031 0.000 2.865 39 Y HA 0.216 4.766 4.550 -0.000 0.000 0.338 39 Y C 1.748 177.629 175.900 -0.032 0.000 1.269 39 Y CA 0.920 58.998 58.100 -0.038 0.000 1.585 39 Y CB 0.139 38.560 38.460 -0.066 0.000 1.224 39 Y HN 1.015 nan 8.280 nan 0.000 0.554 40 G N 2.081 110.951 108.800 0.116 0.000 2.232 40 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.226 40 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.226 40 G C 0.536 175.439 174.900 0.005 0.000 0.996 40 G CA -0.080 45.049 45.100 0.049 0.000 0.626 40 G HN 0.551 nan 8.290 nan 0.000 0.509 41 E N 1.089 121.284 120.200 -0.009 0.000 2.569 41 E HA 0.244 4.594 4.350 -0.000 0.000 0.205 41 E C 0.231 176.816 176.600 -0.025 0.000 1.006 41 E CA -0.019 56.376 56.400 -0.009 0.000 0.985 41 E CB 0.484 30.183 29.700 -0.001 0.000 1.060 41 E HN 0.678 nan 8.360 nan 0.000 0.460 42 E N 0.765 120.912 120.200 -0.088 0.000 2.392 42 E HA 0.080 4.430 4.350 -0.000 0.000 0.264 42 E C 0.169 176.785 176.600 0.027 0.000 1.024 42 E CA -0.157 56.194 56.400 -0.082 0.000 0.903 42 E CB 0.958 30.459 29.700 -0.331 0.000 0.963 42 E HN -0.069 nan 8.360 nan 0.000 0.432 43 V N -0.007 119.954 119.914 0.077 0.000 2.439 43 V HA 0.563 4.683 4.120 -0.000 0.000 0.282 43 V C -0.115 176.077 176.094 0.164 0.000 1.039 43 V CA -0.649 61.717 62.300 0.111 0.000 0.913 43 V CB 1.192 33.073 31.823 0.096 0.000 0.983 43 V HN 0.543 nan 8.190 nan 0.000 0.460 44 K N 3.578 124.081 120.400 0.171 0.000 2.498 44 K HA 0.583 4.903 4.320 -0.000 0.000 0.254 44 K C -1.837 174.863 176.600 0.167 0.000 0.933 44 K CA -0.703 55.691 56.287 0.179 0.000 0.806 44 K CB 2.534 35.142 32.500 0.180 0.000 1.301 44 K HN 0.747 nan 8.250 nan 0.000 0.432 45 F N 2.008 121.983 119.950 0.042 0.000 2.422 45 F HA 0.742 5.269 4.527 -0.000 0.000 0.333 45 F C 0.186 175.994 175.800 0.014 0.000 1.095 45 F CA 0.533 58.548 58.000 0.026 0.000 1.038 45 F CB 1.705 40.717 39.000 0.020 0.000 1.156 45 F HN 0.666 nan 8.300 nan 0.000 0.483 46 G N 2.395 110.468 108.800 -1.212 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 -0.740 173.837 174.900 -0.538 0.000 1.301 46 G CA -0.521 44.063 45.100 -0.860 0.000 0.913 46 G HN 1.073 nan 8.290 nan 0.000 0.540 47 G N -0.666 107.939 108.800 -0.325 0.000 2.298 47 G HA2 0.531 4.491 3.960 -0.000 0.000 0.263 47 G HA3 0.531 4.491 3.960 -0.000 0.000 0.263 47 G C 1.496 176.309 174.900 -0.147 0.000 1.229 47 G CA 1.867 46.849 45.100 -0.197 0.000 0.976 47 G HN 2.474 nan 8.290 nan 0.000 0.459 48 G N 1.754 110.481 108.800 -0.120 0.000 2.168 48 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.263 48 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.263 48 G C 0.932 175.792 174.900 -0.067 0.000 0.977 48 G CA 0.861 45.916 45.100 -0.075 0.000 0.659 48 G HN 0.726 nan 8.290 nan 0.000 0.533 49 K N -0.319 120.019 120.400 -0.105 0.000 2.679 49 K HA 0.528 4.848 4.320 -0.000 0.000 0.280 49 K C 1.981 178.571 176.600 -0.017 0.000 1.040 49 K CA 0.150 56.400 56.287 -0.063 0.000 1.002 49 K CB -0.457 31.983 32.500 -0.100 0.000 1.276 49 K HN 0.100 nan 8.250 nan 0.000 0.492 50 V N 0.608 120.539 119.914 0.027 0.000 2.407 50 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 50 V C 1.381 177.512 176.094 0.063 0.000 1.041 50 V CA 1.003 63.334 62.300 0.052 0.000 1.040 50 V CB -0.277 31.594 31.823 0.079 0.000 0.671 50 V HN 0.434 nan 8.190 nan 0.000 0.455 51 I N 2.539 123.167 120.570 0.098 0.000 2.352 51 I HA 0.158 4.328 4.170 -0.000 0.000 0.303 51 I C 0.324 176.518 176.117 0.128 0.000 1.194 51 I CA 0.690 62.073 61.300 0.139 0.000 1.518 51 I CB -0.704 37.436 38.000 0.234 0.000 1.489 51 I HN 0.246 nan 8.210 nan 0.000 0.702 52 R N 2.516 123.060 120.500 0.074 0.000 2.740 52 R HA 0.253 4.593 4.340 -0.000 0.000 0.273 52 R C -0.925 175.400 176.300 0.042 0.000 0.998 52 R CA -1.199 54.934 56.100 0.055 0.000 0.900 52 R CB 1.724 32.038 30.300 0.024 0.000 1.223 52 R HN 0.233 nan 8.270 nan 0.000 0.466 53 D N 0.455 120.877 120.400 0.036 0.000 2.662 53 D HA 0.022 4.662 4.640 -0.000 0.000 0.233 53 D C 1.225 177.537 176.300 0.021 0.000 1.129 53 D CA 2.647 56.663 54.000 0.026 0.000 0.851 53 D CB 0.353 41.165 40.800 0.020 0.000 1.152 53 D HN 0.698 nan 8.370 nan 0.000 0.507 54 G N 2.672 111.483 108.800 0.019 0.000 2.234 54 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.260 54 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.260 54 G C 0.779 175.690 174.900 0.020 0.000 0.987 54 G CA 0.899 46.009 45.100 0.017 0.000 0.625 54 G HN 0.521 nan 8.290 nan 0.000 0.532 55 M N -0.775 118.840 119.600 0.024 0.000 2.209 55 M HA 0.477 4.957 4.480 -0.000 0.000 0.195 55 M C 2.441 178.760 176.300 0.033 0.000 1.518 55 M CA 0.829 56.145 55.300 0.027 0.000 1.747 55 M CB -0.358 32.258 32.600 0.027 0.000 1.021 55 M HN 0.121 nan 8.290 nan 0.000 0.829 56 G N 0.073 108.898 108.800 0.042 0.000 2.679 56 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 56 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 56 G C 0.392 175.321 174.900 0.048 0.000 1.137 56 G CA 0.193 45.322 45.100 0.049 0.000 0.787 56 G HN 0.473 nan 8.290 nan 0.000 0.534 57 Q N -0.043 119.783 119.800 0.043 0.000 2.333 57 Q HA 0.559 4.899 4.340 -0.000 0.000 0.267 57 Q C 0.169 176.184 176.000 0.024 0.000 1.012 57 Q CA -0.660 55.165 55.803 0.036 0.000 0.824 57 Q CB 1.689 30.453 28.738 0.045 0.000 1.290 57 Q HN 0.141 nan 8.270 nan 0.000 0.449 58 G N 1.237 110.047 108.800 0.016 0.000 2.583 58 G HA2 0.146 4.106 3.960 -0.000 0.000 0.280 58 G HA3 0.146 4.106 3.960 -0.000 0.000 0.280 58 G C -0.057 174.847 174.900 0.006 0.000 1.376 58 G CA -0.233 44.874 45.100 0.011 0.000 1.043 58 G HN 0.655 nan 8.290 nan 0.000 0.538 59 Q N 0.102 119.904 119.800 0.005 0.000 2.204 59 Q HA 0.112 4.452 4.340 -0.000 0.000 0.209 59 Q C 0.953 176.952 176.000 -0.003 0.000 0.861 59 Q CA -0.303 55.502 55.803 0.002 0.000 0.971 59 Q CB 0.238 28.978 28.738 0.004 0.000 1.095 59 Q HN 0.641 nan 8.270 nan 0.000 0.486 60 M N -0.890 118.707 119.600 -0.006 0.000 2.202 60 M HA 0.310 4.790 4.480 -0.000 0.000 0.316 60 M C -0.011 176.279 176.300 -0.017 0.000 1.138 60 M CA -0.190 55.104 55.300 -0.010 0.000 1.151 60 M CB 0.281 32.873 32.600 -0.013 0.000 1.422 60 M HN -0.096 nan 8.290 nan 0.000 0.471 61 L N 1.483 122.696 121.223 -0.017 0.000 2.456 61 L HA 0.351 4.691 4.340 -0.000 0.000 0.257 61 L C 1.874 178.724 176.870 -0.032 0.000 1.162 61 L CA -0.305 54.523 54.840 -0.020 0.000 0.808 61 L CB 0.666 42.716 42.059 -0.015 0.000 1.136 61 L HN 1.014 nan 8.230 nan 0.000 0.466 62 A N 1.564 124.363 122.820 -0.035 0.000 1.903 62 A HA -0.259 4.061 4.320 -0.000 0.000 0.219 62 A C 2.272 179.821 177.584 -0.058 0.000 1.191 62 A CA 2.204 54.212 52.037 -0.049 0.000 0.638 62 A CB -0.916 18.058 19.000 -0.043 0.000 0.823 62 A HN 0.917 nan 8.150 nan 0.000 0.451 63 A N -0.758 122.038 122.820 -0.039 0.000 2.076 63 A HA -0.147 4.173 4.320 -0.000 0.000 0.220 63 A C 1.354 178.912 177.584 -0.044 0.000 1.160 63 A CA 1.728 53.745 52.037 -0.033 0.000 0.653 63 A CB -0.351 18.642 19.000 -0.011 0.000 0.801 63 A HN 0.506 nan 8.150 nan 0.000 0.455 64 D N -1.111 119.261 120.400 -0.047 0.000 2.368 64 D HA 0.198 4.838 4.640 -0.000 0.000 0.218 64 D C 0.326 176.574 176.300 -0.088 0.000 1.112 64 D CA 0.656 54.630 54.000 -0.044 0.000 0.834 64 D CB -0.121 40.671 40.800 -0.014 0.000 0.953 64 D HN 0.627 nan 8.370 nan 0.000 0.505 65 C N -1.318 117.897 119.300 -0.143 0.000 3.291 65 C HA 0.763 5.223 4.460 -0.000 0.000 0.316 65 C C 0.249 175.069 174.990 -0.282 0.000 1.391 65 C CA -1.202 57.703 59.018 -0.188 0.000 1.394 65 C CB 1.110 28.787 27.740 -0.105 0.000 1.744 65 C HN 0.007 nan 8.230 nan 0.000 0.461 66 V N -0.041 119.686 119.914 -0.312 0.000 2.953 66 V HA 0.424 4.544 4.120 -0.000 0.000 0.304 66 V C 0.532 176.531 176.094 -0.159 0.000 1.073 66 V CA 0.420 62.536 62.300 -0.306 0.000 1.064 66 V CB 0.727 32.392 31.823 -0.264 0.000 1.047 66 V HN 0.906 nan 8.190 nan 0.000 0.478 67 D N 0.964 121.292 120.400 -0.120 0.000 2.194 67 D HA 0.152 4.792 4.640 -0.000 0.000 0.204 67 D C 0.225 176.487 176.300 -0.064 0.000 0.964 67 D CA 1.256 55.209 54.000 -0.079 0.000 0.846 67 D CB 0.523 41.290 40.800 -0.056 0.000 0.962 67 D HN 0.508 nan 8.370 nan 0.000 0.490 68 L N 0.093 121.287 121.223 -0.049 0.000 2.445 68 L HA 0.488 4.828 4.340 -0.000 0.000 0.262 68 L C -1.683 175.181 176.870 -0.010 0.000 0.974 68 L CA -0.847 53.973 54.840 -0.032 0.000 0.822 68 L CB 2.616 44.667 42.059 -0.014 0.000 1.339 68 L HN -0.276 nan 8.230 nan 0.000 0.409 69 V N 5.769 125.678 119.914 -0.008 0.000 2.638 69 V HA 0.605 4.725 4.120 -0.000 0.000 0.306 69 V C -1.313 174.799 176.094 0.030 0.000 1.052 69 V CA -0.453 61.860 62.300 0.023 0.000 0.885 69 V CB 1.969 33.806 31.823 0.024 0.000 0.999 69 V HN 0.726 nan 8.190 nan 0.000 0.424 70 L N 6.583 127.840 121.223 0.057 0.000 2.264 70 L HA 0.507 4.847 4.340 -0.000 0.000 0.287 70 L C 0.673 177.592 176.870 0.083 0.000 1.039 70 L CA 0.092 54.971 54.840 0.065 0.000 0.829 70 L CB 1.666 43.772 42.059 0.077 0.000 1.211 70 L HN 0.846 nan 8.230 nan 0.000 0.427 71 T N -0.129 114.475 114.554 0.083 0.000 2.869 71 T HA 0.261 4.611 4.350 -0.000 0.000 0.295 71 T C 0.571 175.342 174.700 0.118 0.000 0.987 71 T CA -0.671 61.491 62.100 0.103 0.000 1.109 71 T CB 0.487 69.424 68.868 0.115 0.000 0.932 71 T HN 0.609 nan 8.240 nan 0.000 0.518 72 N N 0.179 118.956 118.700 0.128 0.000 2.725 72 N HA -0.153 4.587 4.740 -0.000 0.000 0.251 72 N C 0.016 175.608 175.510 0.137 0.000 1.031 72 N CA 0.832 53.969 53.050 0.146 0.000 0.720 72 N CB -1.657 36.938 38.487 0.180 0.000 0.930 72 N HN 1.119 nan 8.380 nan 0.000 0.543 73 A N 0.114 123.011 122.820 0.128 0.000 2.316 73 A HA 0.573 4.893 4.320 -0.000 0.000 0.284 73 A C 0.449 178.106 177.584 0.122 0.000 1.115 73 A CA -0.515 51.598 52.037 0.126 0.000 0.812 73 A CB 0.811 19.887 19.000 0.127 0.000 1.064 73 A HN 0.302 nan 8.150 nan 0.000 0.489 74 L N 3.740 125.031 121.223 0.113 0.000 2.287 74 L HA 0.449 4.789 4.340 -0.000 0.000 0.280 74 L C -0.521 176.389 176.870 0.066 0.000 1.055 74 L CA -0.184 54.706 54.840 0.083 0.000 0.863 74 L CB -0.212 41.886 42.059 0.065 0.000 1.245 74 L HN 0.548 nan 8.230 nan 0.000 0.432 75 I N 5.156 125.753 120.570 0.045 0.000 2.496 75 I HA 0.192 4.362 4.170 -0.000 0.000 0.285 75 I C -0.325 175.718 176.117 -0.123 0.000 1.080 75 I CA -0.295 61.002 61.300 -0.003 0.000 1.404 75 I CB 1.004 39.006 38.000 0.003 0.000 1.403 75 I HN 0.228 nan 8.210 nan 0.000 0.539 76 V N 5.913 125.769 119.914 -0.096 0.000 2.349 76 V HA 0.401 4.521 4.120 -0.000 0.000 0.284 76 V C -0.566 175.430 176.094 -0.164 0.000 1.014 76 V CA -0.326 61.887 62.300 -0.144 0.000 0.826 76 V CB 1.410 33.182 31.823 -0.085 0.000 1.009 76 V HN 0.682 nan 8.190 nan 0.000 0.431 77 D N 0.799 120.954 120.400 -0.408 0.000 2.579 77 D HA 0.318 4.958 4.640 -0.000 0.000 0.257 77 D C 0.887 176.940 176.300 -0.412 0.000 1.176 77 D CA -0.442 53.289 54.000 -0.448 0.000 0.914 77 D CB 1.566 41.873 40.800 -0.821 0.000 1.431 77 D HN 0.677 nan 8.370 nan 0.000 0.454 78 H N -0.065 118.925 119.070 -0.133 0.000 2.489 78 H HA -0.071 4.485 4.556 -0.000 0.000 0.295 78 H C 1.405 176.839 175.328 0.177 0.000 1.082 78 H CA 1.807 57.894 56.048 0.065 0.000 1.295 78 H CB -0.318 29.496 29.762 0.087 0.000 1.380 78 H HN 0.511 nan 8.280 nan 0.000 0.548 79 W N 0.405 121.515 121.300 -0.317 0.000 3.077 79 W HA 0.582 5.242 4.660 -0.000 0.000 0.266 79 W C -0.123 176.407 176.519 0.018 0.000 1.300 79 W CA 0.186 57.470 57.345 -0.102 0.000 1.586 79 W CB 0.112 29.423 29.460 -0.249 0.000 1.103 79 W HN 0.405 nan 8.180 nan 0.000 0.652 80 G N 0.921 109.489 108.800 -0.387 0.000 2.325 80 G HA2 0.385 4.345 3.960 -0.000 0.000 0.297 80 G HA3 0.385 4.345 3.960 -0.000 0.000 0.297 80 G C -2.067 172.571 174.900 -0.438 0.000 1.448 80 G CA -1.091 43.866 45.100 -0.238 0.000 0.838 80 G HN 0.052 nan 8.290 nan 0.000 0.579 81 I N 1.477 121.932 120.570 -0.192 0.000 2.495 81 I HA 0.482 4.651 4.170 -0.000 0.000 0.277 81 I C 0.119 176.199 176.117 -0.062 0.000 1.045 81 I CA -0.950 60.257 61.300 -0.155 0.000 1.135 81 I CB 1.380 39.324 38.000 -0.093 0.000 1.241 81 I HN 0.585 nan 8.210 nan 0.000 0.469 82 V N 2.231 122.112 119.914 -0.055 0.000 3.040 82 V HA 0.665 4.785 4.120 -0.000 0.000 0.312 82 V C -0.709 175.432 176.094 0.077 0.000 1.115 82 V CA -1.052 61.280 62.300 0.053 0.000 0.998 82 V CB 2.212 34.123 31.823 0.148 0.000 1.042 82 V HN 0.521 nan 8.190 nan 0.000 0.433 83 K N 1.845 122.305 120.400 0.100 0.000 2.211 83 K HA 0.911 5.231 4.320 -0.000 0.000 0.275 83 K C -0.438 176.232 176.600 0.117 0.000 1.024 83 K CA 0.680 57.036 56.287 0.115 0.000 0.887 83 K CB 0.977 33.557 32.500 0.134 0.000 1.084 83 K HN 1.697 nan 8.250 nan 0.000 0.463 84 A N 3.167 126.061 122.820 0.124 0.000 2.544 84 A HA 0.381 4.701 4.320 -0.000 0.000 0.291 84 A C -1.740 175.916 177.584 0.119 0.000 1.055 84 A CA -0.969 51.138 52.037 0.117 0.000 0.651 84 A CB 0.688 19.769 19.000 0.136 0.000 1.296 84 A HN 0.666 nan 8.150 nan 0.000 0.431 85 D N 0.279 120.743 120.400 0.107 0.000 2.253 85 D HA 0.616 5.256 4.640 -0.000 0.000 0.249 85 D C -0.519 175.852 176.300 0.119 0.000 1.049 85 D CA 0.357 54.421 54.000 0.107 0.000 0.929 85 D CB 1.374 42.230 40.800 0.094 0.000 1.176 85 D HN 0.435 nan 8.370 nan 0.000 0.437 86 I N 0.607 121.249 120.570 0.120 0.000 2.436 86 I HA 0.372 4.542 4.170 -0.000 0.000 0.289 86 I C 0.573 176.768 176.117 0.130 0.000 1.010 86 I CA -0.769 60.611 61.300 0.133 0.000 1.098 86 I CB 2.156 40.238 38.000 0.136 0.000 1.266 86 I HN 0.199 nan 8.210 nan 0.000 0.434 87 G N 5.306 114.209 108.800 0.171 0.000 2.379 87 G HA2 0.626 4.586 3.960 -0.000 0.000 0.327 87 G HA3 0.626 4.586 3.960 -0.000 0.000 0.327 87 G C -1.013 174.003 174.900 0.194 0.000 1.145 87 G CA -0.361 44.848 45.100 0.182 0.000 0.905 87 G HN 0.330 nan 8.290 nan 0.000 0.466 88 V N 2.078 122.056 119.914 0.106 0.000 2.487 88 V HA 0.593 4.713 4.120 -0.000 0.000 0.298 88 V C -0.104 176.013 176.094 0.038 0.000 1.028 88 V CA -0.810 61.551 62.300 0.101 0.000 0.860 88 V CB 1.699 33.566 31.823 0.073 0.000 0.991 88 V HN 0.805 nan 8.190 nan 0.000 0.427 89 K N 3.114 123.558 120.400 0.073 0.000 2.482 89 K HA 0.420 4.740 4.320 -0.000 0.000 0.251 89 K C -0.661 175.977 176.600 0.064 0.000 0.936 89 K CA -0.488 55.803 56.287 0.005 0.000 0.791 89 K CB 1.445 33.881 32.500 -0.105 0.000 1.213 89 K HN 0.670 nan 8.250 nan 0.000 0.428 90 D N 2.980 123.405 120.400 0.043 0.000 2.837 90 D HA -0.186 4.454 4.640 -0.000 0.000 0.230 90 D C 0.590 176.947 176.300 0.095 0.000 1.152 90 D CA 1.858 55.902 54.000 0.073 0.000 0.736 90 D CB -1.164 39.683 40.800 0.078 0.000 1.084 90 D HN 1.102 nan 8.370 nan 0.000 0.429 91 G N -0.611 108.241 108.800 0.087 0.000 2.159 91 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.256 91 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.256 91 G C 0.353 175.305 174.900 0.085 0.000 0.977 91 G CA 0.693 45.848 45.100 0.092 0.000 0.652 91 G HN 0.557 nan 8.290 nan 0.000 0.531 92 R N -1.011 119.547 120.500 0.096 0.000 2.867 92 R HA 0.649 4.989 4.340 -0.000 0.000 0.268 92 R C 0.050 176.429 176.300 0.132 0.000 1.014 92 R CA -1.212 54.951 56.100 0.104 0.000 0.946 92 R CB 1.328 31.687 30.300 0.098 0.000 1.208 92 R HN 0.146 nan 8.270 nan 0.000 0.477 93 I N 2.367 123.011 120.570 0.124 0.000 2.581 93 I HA -0.069 4.101 4.170 -0.000 0.000 0.285 93 I C 0.885 177.096 176.117 0.157 0.000 1.129 93 I CA 0.382 61.765 61.300 0.138 0.000 1.397 93 I CB 0.251 38.319 38.000 0.113 0.000 1.399 93 I HN 0.603 nan 8.210 nan 0.000 0.537 94 F N 7.022 126.994 119.950 0.037 0.000 2.220 94 F HA 0.436 4.963 4.527 -0.000 0.000 0.290 94 F C 0.969 176.781 175.800 0.019 0.000 1.080 94 F CA 0.660 58.676 58.000 0.026 0.000 1.318 94 F CB 0.332 39.347 39.000 0.025 0.000 1.063 94 F HN 0.461 nan 8.300 nan 0.000 0.498 95 A N -0.135 122.724 122.820 0.066 0.000 2.597 95 A HA 0.601 4.921 4.320 -0.000 0.000 0.292 95 A C -1.671 175.954 177.584 0.069 0.000 1.057 95 A CA -0.579 51.428 52.037 -0.051 0.000 0.674 95 A CB 0.488 19.427 19.000 -0.102 0.000 1.278 95 A HN 0.109 nan 8.150 nan 0.000 0.416 96 I N 1.390 121.975 120.570 0.025 0.000 2.411 96 I HA 0.645 4.815 4.170 -0.000 0.000 0.284 96 I C 0.682 176.831 176.117 0.054 0.000 1.012 96 I CA 0.316 61.661 61.300 0.075 0.000 1.119 96 I CB 1.710 39.756 38.000 0.076 0.000 1.261 96 I HN 1.114 nan 8.210 nan 0.000 0.448 97 G N 5.363 114.209 108.800 0.076 0.000 2.637 97 G HA2 0.203 4.163 3.960 -0.000 0.000 0.112 97 G HA3 0.203 4.163 3.960 -0.000 0.000 0.112 97 G C -1.551 173.384 174.900 0.059 0.000 1.181 97 G CA -0.395 44.738 45.100 0.055 0.000 1.150 97 G HN 0.286 nan 8.290 nan 0.000 0.561 98 K N 1.151 121.580 120.400 0.049 0.000 2.394 98 K HA 0.735 5.054 4.320 -0.000 0.000 0.260 98 K C -0.409 176.225 176.600 0.056 0.000 0.967 98 K CA -0.252 56.060 56.287 0.041 0.000 0.855 98 K CB 1.138 33.648 32.500 0.016 0.000 1.101 98 K HN 0.788 nan 8.250 nan 0.000 0.433 99 A N 2.411 125.268 122.820 0.061 0.000 2.282 99 A HA 0.888 5.208 4.320 -0.000 0.000 0.319 99 A C 0.264 177.879 177.584 0.052 0.000 1.121 99 A CA 0.287 52.362 52.037 0.064 0.000 0.836 99 A CB 1.050 20.091 19.000 0.069 0.000 1.146 99 A HN 0.885 nan 8.150 nan 0.000 0.494 100 G N 0.134 108.962 108.800 0.047 0.000 2.356 100 G HA2 0.295 4.255 3.960 -0.000 0.000 0.266 100 G HA3 0.295 4.255 3.960 -0.000 0.000 0.266 100 G C -1.568 173.353 174.900 0.034 0.000 1.312 100 G CA -0.243 44.882 45.100 0.042 0.000 0.922 100 G HN 1.109 nan 8.290 nan 0.000 0.480 101 N N 0.860 119.579 118.700 0.031 0.000 2.479 101 N HA 0.612 5.352 4.740 -0.000 0.000 0.261 101 N C -1.711 173.814 175.510 0.024 0.000 0.979 101 N CA -2.293 50.773 53.050 0.026 0.000 0.930 101 N CB 2.505 41.007 38.487 0.025 0.000 1.172 101 N HN 0.019 nan 8.380 nan 0.000 0.499 102 P HA -0.042 nan 4.420 nan 0.000 0.223 102 P C 0.262 177.573 177.300 0.018 0.000 1.144 102 P CA 0.841 63.954 63.100 0.022 0.000 0.783 102 P CB 0.448 32.163 31.700 0.024 0.000 0.771 103 D N -0.685 119.726 120.400 0.017 0.000 2.144 103 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 103 D C 1.715 178.024 176.300 0.015 0.000 0.978 103 D CA 1.227 55.236 54.000 0.015 0.000 0.833 103 D CB -0.151 40.657 40.800 0.014 0.000 0.961 103 D HN 0.344 nan 8.370 nan 0.000 0.470 104 I N -3.480 117.101 120.570 0.017 0.000 4.403 104 I HA 0.243 4.413 4.170 -0.000 0.000 0.331 104 I C 0.046 176.174 176.117 0.018 0.000 1.327 104 I CA -0.387 60.923 61.300 0.017 0.000 1.175 104 I CB 0.403 38.414 38.000 0.018 0.000 1.165 104 I HN -0.305 nan 8.210 nan 0.000 0.413 105 Q N 3.238 123.049 119.800 0.019 0.000 2.301 105 Q HA 0.565 4.905 4.340 -0.000 0.000 0.267 105 Q C -2.550 173.459 176.000 0.015 0.000 1.035 105 Q CA -2.023 53.791 55.803 0.018 0.000 0.856 105 Q CB 2.016 30.767 28.738 0.020 0.000 1.337 105 Q HN 0.105 nan 8.270 nan 0.000 0.450 106 P HA 0.169 nan 4.420 nan 0.000 0.282 106 P C -1.065 176.238 177.300 0.005 0.000 1.259 106 P CA -0.295 62.810 63.100 0.007 0.000 0.826 106 P CB 0.676 32.378 31.700 0.004 0.000 1.064 107 N N -1.905 116.798 118.700 0.005 0.000 2.693 107 N HA -0.138 4.602 4.740 -0.000 0.000 0.249 107 N C -0.314 175.203 175.510 0.012 0.000 1.119 107 N CA 0.239 53.291 53.050 0.003 0.000 0.717 107 N CB -1.870 36.611 38.487 -0.009 0.000 1.071 107 N HN 0.152 nan 8.380 nan 0.000 0.555 108 V N 0.898 120.825 119.914 0.021 0.000 2.479 108 V HA 0.114 4.233 4.120 -0.000 0.000 0.281 108 V C 1.715 177.837 176.094 0.048 0.000 1.031 108 V CA 1.078 63.398 62.300 0.034 0.000 1.038 108 V CB 1.103 32.948 31.823 0.036 0.000 0.981 108 V HN 0.525 nan 8.190 nan 0.000 0.478 109 T N 1.661 116.252 114.554 0.062 0.000 2.971 109 T HA 0.382 4.732 4.350 -0.000 0.000 0.252 109 T C 0.326 175.124 174.700 0.163 0.000 1.022 109 T CA 0.168 62.319 62.100 0.084 0.000 0.980 109 T CB 0.142 69.039 68.868 0.048 0.000 1.044 109 T HN 0.347 nan 8.240 nan 0.000 0.501 110 I N 3.952 124.610 120.570 0.147 0.000 2.502 110 I HA 0.359 4.529 4.170 -0.000 0.000 0.276 110 I C -2.676 173.491 176.117 0.084 0.000 1.057 110 I CA -2.721 58.688 61.300 0.182 0.000 1.163 110 I CB 1.959 40.060 38.000 0.168 0.000 1.288 110 I HN -0.046 nan 8.210 nan 0.000 0.479 111 P HA 0.216 nan 4.420 nan 0.000 0.271 111 P C -0.565 176.719 177.300 -0.026 0.000 1.220 111 P CA 0.199 63.304 63.100 0.008 0.000 0.768 111 P CB 1.241 32.941 31.700 -0.000 0.000 0.848 112 I N 2.521 123.087 120.570 -0.007 0.000 2.378 112 I HA 0.554 4.724 4.170 -0.000 0.000 0.291 112 I C 0.996 177.107 176.117 -0.010 0.000 0.992 112 I CA -0.213 61.081 61.300 -0.011 0.000 1.154 112 I CB 1.958 39.967 38.000 0.015 0.000 1.315 112 I HN 0.430 nan 8.210 nan 0.000 0.448 113 G N 2.859 111.645 108.800 -0.024 0.000 3.086 113 G HA2 0.554 4.514 3.960 -0.000 0.000 0.282 113 G HA3 0.554 4.514 3.960 -0.000 0.000 0.282 113 G C 0.563 175.452 174.900 -0.018 0.000 1.343 113 G CA 0.078 45.167 45.100 -0.018 0.000 0.895 113 G HN 0.595 nan 8.290 nan 0.000 0.557 114 A N -0.702 122.108 122.820 -0.016 0.000 1.978 114 A HA 0.236 4.556 4.320 -0.000 0.000 0.220 114 A C 2.353 179.919 177.584 -0.031 0.000 1.170 114 A CA 2.586 54.613 52.037 -0.016 0.000 0.636 114 A CB -0.690 18.302 19.000 -0.014 0.000 0.810 114 A HN 1.538 nan 8.150 nan 0.000 0.448 115 A N -0.721 122.075 122.820 -0.040 0.000 2.276 115 A HA 0.344 4.664 4.320 -0.000 0.000 0.212 115 A C 0.685 178.231 177.584 -0.063 0.000 1.230 115 A CA 0.614 52.620 52.037 -0.052 0.000 0.844 115 A CB -0.566 18.401 19.000 -0.055 0.000 0.860 115 A HN 0.278 nan 8.150 nan 0.000 0.486 116 T N 0.856 115.375 114.554 -0.059 0.000 2.749 116 T HA 0.423 4.773 4.350 -0.000 0.000 0.287 116 T C -0.311 174.340 174.700 -0.082 0.000 0.970 116 T CA -0.361 61.699 62.100 -0.067 0.000 0.980 116 T CB 1.474 70.309 68.868 -0.055 0.000 0.924 116 T HN 0.454 nan 8.240 nan 0.000 0.456 117 E N 2.489 122.633 120.200 -0.094 0.000 2.319 117 E HA 0.514 4.863 4.350 -0.000 0.000 0.268 117 E C -1.144 175.374 176.600 -0.138 0.000 1.050 117 E CA -0.603 55.719 56.400 -0.130 0.000 0.878 117 E CB 0.874 30.507 29.700 -0.112 0.000 1.066 117 E HN 0.320 nan 8.360 nan 0.000 0.406 118 V N 4.749 124.532 119.914 -0.219 0.000 2.656 118 V HA 0.445 4.565 4.120 -0.000 0.000 0.307 118 V C -0.278 175.715 176.094 -0.169 0.000 1.051 118 V CA -0.673 61.511 62.300 -0.194 0.000 0.893 118 V CB 1.598 33.254 31.823 -0.278 0.000 0.999 118 V HN 0.667 nan 8.190 nan 0.000 0.426 119 I N 3.559 124.086 120.570 -0.070 0.000 2.418 119 I HA 0.585 4.755 4.170 -0.000 0.000 0.287 119 I C 0.400 176.526 176.117 0.015 0.000 1.008 119 I CA -0.639 60.642 61.300 -0.032 0.000 1.104 119 I CB 1.855 39.849 38.000 -0.010 0.000 1.264 119 I HN 0.710 nan 8.210 nan 0.000 0.438 120 A N 5.108 127.949 122.820 0.035 0.000 2.350 120 A HA 0.593 4.913 4.320 -0.000 0.000 0.293 120 A C 0.753 178.378 177.584 0.068 0.000 1.231 120 A CA -0.110 51.971 52.037 0.074 0.000 0.883 120 A CB 0.350 19.408 19.000 0.097 0.000 1.133 120 A HN 0.887 nan 8.150 nan 0.000 0.533 121 A N 2.895 125.764 122.820 0.081 0.000 2.430 121 A HA 0.274 4.594 4.320 -0.000 0.000 0.243 121 A C 0.672 178.315 177.584 0.098 0.000 1.254 121 A CA -0.254 51.836 52.037 0.088 0.000 0.914 121 A CB -0.120 18.938 19.000 0.096 0.000 0.998 121 A HN 0.818 nan 8.150 nan 0.000 0.515 122 E N 0.110 120.366 120.200 0.094 0.000 2.480 122 E HA 0.284 4.634 4.350 -0.000 0.000 0.258 122 E C 0.842 177.486 176.600 0.073 0.000 0.984 122 E CA 0.579 57.034 56.400 0.092 0.000 0.930 122 E CB 0.117 29.860 29.700 0.072 0.000 0.936 122 E HN 0.930 nan 8.360 nan 0.000 0.466 123 G N 2.758 111.608 108.800 0.084 0.000 2.176 123 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 123 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 123 G C -0.031 174.927 174.900 0.097 0.000 0.979 123 G CA 0.293 45.439 45.100 0.077 0.000 0.641 123 G HN 0.477 nan 8.290 nan 0.000 0.530 124 K N -0.202 120.266 120.400 0.114 0.000 2.281 124 K HA 0.754 5.074 4.320 -0.000 0.000 0.242 124 K C -0.068 176.631 176.600 0.165 0.000 0.971 124 K CA -0.890 55.488 56.287 0.151 0.000 0.834 124 K CB 2.055 34.643 32.500 0.147 0.000 1.181 124 K HN 0.197 nan 8.250 nan 0.000 0.435 125 I N 1.395 122.107 120.570 0.236 0.000 2.377 125 I HA 0.268 4.438 4.170 -0.000 0.000 0.293 125 I C -0.457 175.889 176.117 0.382 0.000 0.987 125 I CA -1.065 60.383 61.300 0.248 0.000 1.185 125 I CB 1.791 39.921 38.000 0.216 0.000 1.341 125 I HN 0.007 nan 8.210 nan 0.000 0.455 126 V N 4.686 124.775 119.914 0.293 0.000 2.495 126 V HA 0.598 4.717 4.120 -0.000 0.000 0.298 126 V C 0.075 176.357 176.094 0.314 0.000 1.031 126 V CA -0.389 62.088 62.300 0.295 0.000 0.871 126 V CB 1.960 33.895 31.823 0.188 0.000 0.988 126 V HN 0.903 nan 8.190 nan 0.000 0.432 127 T N 1.507 116.295 114.554 0.391 0.000 2.887 127 T HA 0.873 5.223 4.350 -0.000 0.000 0.292 127 T C -0.096 174.781 174.700 0.296 0.000 1.087 127 T CA -0.332 61.989 62.100 0.369 0.000 1.009 127 T CB 1.952 71.154 68.868 0.557 0.000 1.203 127 T HN 1.001 nan 8.240 nan 0.000 0.518 128 A N 0.369 123.345 122.820 0.260 0.000 2.346 128 A HA 0.706 5.026 4.320 -0.000 0.000 0.252 128 A C 0.941 178.677 177.584 0.253 0.000 1.089 128 A CA -0.154 52.018 52.037 0.225 0.000 0.797 128 A CB -0.640 18.483 19.000 0.206 0.000 1.047 128 A HN 1.376 nan 8.150 nan 0.000 0.494 129 G N -0.495 108.429 108.800 0.207 0.000 2.467 129 G HA2 0.483 4.442 3.960 -0.000 0.000 0.257 129 G HA3 0.483 4.442 3.960 -0.000 0.000 0.257 129 G C 0.514 175.569 174.900 0.257 0.000 1.227 129 G CA 0.184 45.409 45.100 0.209 0.000 0.835 129 G HN 1.121 nan 8.290 nan 0.000 0.556 130 G N -0.560 108.427 108.800 0.312 0.000 2.636 130 G HA2 0.462 4.422 3.960 -0.000 0.000 0.246 130 G HA3 0.462 4.422 3.960 -0.000 0.000 0.246 130 G C -0.279 174.767 174.900 0.244 0.000 1.216 130 G CA -0.529 44.800 45.100 0.381 0.000 0.854 130 G HN 0.641 nan 8.290 nan 0.000 0.572 131 I N 0.907 121.619 120.570 0.236 0.000 2.497 131 I HA 0.170 4.340 4.170 -0.000 0.000 0.284 131 I C -1.363 174.834 176.117 0.133 0.000 1.060 131 I CA -0.717 60.678 61.300 0.158 0.000 1.071 131 I CB 2.108 40.186 38.000 0.131 0.000 1.216 131 I HN 0.312 nan 8.210 nan 0.000 0.442 132 D N 4.664 125.116 120.400 0.087 0.000 2.373 132 D HA 0.204 4.844 4.640 -0.000 0.000 0.227 132 D C 0.916 177.229 176.300 0.022 0.000 1.091 132 D CA -0.171 53.858 54.000 0.048 0.000 0.840 132 D CB 1.573 42.371 40.800 -0.002 0.000 1.060 132 D HN 0.626 nan 8.370 nan 0.000 0.502 133 T N 0.314 114.901 114.554 0.055 0.000 3.206 133 T HA 0.105 4.455 4.350 -0.000 0.000 0.253 133 T C 0.573 175.283 174.700 0.017 0.000 1.042 133 T CA -0.072 62.041 62.100 0.021 0.000 0.931 133 T CB -0.448 68.492 68.868 0.121 0.000 1.029 133 T HN 0.488 nan 8.240 nan 0.000 0.564 134 H N 0.645 119.596 119.070 -0.198 0.000 2.439 134 H HA 0.453 5.009 4.556 -0.000 0.000 0.230 134 H C -0.907 174.259 175.328 -0.270 0.000 1.420 134 H CA -0.966 54.831 56.048 -0.419 0.000 1.305 134 H CB -0.078 29.262 29.762 -0.704 0.000 1.667 134 H HN 0.186 nan 8.280 nan 0.000 0.515 135 I N 2.385 122.877 120.570 -0.131 0.000 2.359 135 I HA 0.142 4.311 4.170 -0.000 0.000 0.294 135 I C 0.211 176.116 176.117 -0.353 0.000 0.987 135 I CA -0.314 60.791 61.300 -0.324 0.000 1.225 135 I CB 1.124 38.680 38.000 -0.740 0.000 1.366 135 I HN 0.570 nan 8.210 nan 0.000 0.466 136 H N 5.526 124.430 119.070 -0.276 0.000 2.597 136 H HA 0.130 4.686 4.556 -0.000 0.000 0.303 136 H C -0.761 174.471 175.328 -0.160 0.000 1.057 136 H CA -0.352 55.622 56.048 -0.123 0.000 1.261 136 H CB 0.726 30.484 29.762 -0.005 0.000 1.397 136 H HN 0.558 nan 8.280 nan 0.000 0.461 137 W N 5.417 126.790 121.300 0.122 0.000 1.564 137 W HA 0.132 4.792 4.660 -0.000 0.000 0.480 137 W C 1.003 177.564 176.519 0.069 0.000 0.699 137 W CA -0.300 57.092 57.345 0.079 0.000 1.985 137 W CB -0.316 29.172 29.460 0.046 0.000 1.738 137 W HN 0.637 nan 8.180 nan 0.000 0.218 138 I N 1.178 121.902 120.570 0.257 0.000 2.500 138 I HA -0.083 4.087 4.170 -0.000 0.000 0.252 138 I C 1.079 177.297 176.117 0.168 0.000 1.142 138 I CA 0.639 62.048 61.300 0.181 0.000 1.451 138 I CB -0.154 37.949 38.000 0.172 0.000 1.093 138 I HN 0.234 nan 8.210 nan 0.000 0.430 139 C N -2.277 117.144 119.300 0.201 0.000 3.239 139 C HA 0.374 4.834 4.460 -0.000 0.000 0.329 139 C C -1.939 173.179 174.990 0.213 0.000 1.252 139 C CA -1.346 57.770 59.018 0.164 0.000 1.323 139 C CB 1.249 29.057 27.740 0.113 0.000 1.663 139 C HN -0.044 nan 8.230 nan 0.000 0.487 140 P HA -0.070 nan 4.420 nan 0.000 0.223 140 P C 1.074 178.462 177.300 0.147 0.000 1.151 140 P CA 1.511 64.700 63.100 0.148 0.000 0.787 140 P CB 0.234 31.971 31.700 0.061 0.000 0.788 141 Q N 0.179 120.046 119.800 0.112 0.000 2.297 141 Q HA -0.136 4.204 4.340 -0.000 0.000 0.208 141 Q C 2.377 178.433 176.000 0.093 0.000 0.981 141 Q CA 1.295 57.148 55.803 0.084 0.000 0.876 141 Q CB -0.851 27.922 28.738 0.058 0.000 0.921 141 Q HN 0.438 nan 8.270 nan 0.000 0.446 142 Q N -0.626 119.252 119.800 0.130 0.000 2.181 142 Q HA -0.157 4.183 4.340 -0.000 0.000 0.205 142 Q C 1.974 178.047 176.000 0.121 0.000 0.980 142 Q CA 1.207 57.072 55.803 0.103 0.000 0.862 142 Q CB -0.188 28.606 28.738 0.094 0.000 0.905 142 Q HN 0.497 nan 8.270 nan 0.000 0.429 143 A N 1.156 124.102 122.820 0.210 0.000 1.877 143 A HA -0.266 4.054 4.320 -0.000 0.000 0.216 143 A C 1.895 179.539 177.584 0.101 0.000 1.186 143 A CA 1.712 53.868 52.037 0.199 0.000 0.620 143 A CB -0.555 18.580 19.000 0.226 0.000 0.822 143 A HN 0.457 nan 8.150 nan 0.000 0.443 144 E N -0.584 119.660 120.200 0.074 0.000 2.110 144 E HA -0.250 4.100 4.350 -0.000 0.000 0.193 144 E C 1.939 178.544 176.600 0.008 0.000 0.988 144 E CA 1.420 57.843 56.400 0.038 0.000 0.804 144 E CB -0.114 29.609 29.700 0.039 0.000 0.745 144 E HN 0.587 nan 8.360 nan 0.000 0.458 145 E N 0.294 120.501 120.200 0.012 0.000 2.051 145 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 145 E C 1.769 178.349 176.600 -0.033 0.000 0.991 145 E CA 1.571 57.962 56.400 -0.016 0.000 0.799 145 E CB -0.302 29.392 29.700 -0.009 0.000 0.748 145 E HN 0.370 nan 8.360 nan 0.000 0.449 146 A N 0.136 122.950 122.820 -0.009 0.000 1.898 146 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 146 A C 2.184 179.761 177.584 -0.012 0.000 1.181 146 A CA 1.360 53.391 52.037 -0.011 0.000 0.620 146 A CB -0.753 18.252 19.000 0.008 0.000 0.819 146 A HN 0.355 nan 8.150 nan 0.000 0.442 147 L N -0.102 121.120 121.223 -0.002 0.000 2.046 147 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 147 L C 2.384 179.204 176.870 -0.084 0.000 1.077 147 L CA 1.755 56.587 54.840 -0.014 0.000 0.747 147 L CB -0.405 41.660 42.059 0.008 0.000 0.896 147 L HN 0.155 nan 8.230 nan 0.000 0.432 148 V N -0.423 119.407 119.914 -0.140 0.000 2.407 148 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 148 V C 2.639 178.545 176.094 -0.314 0.000 1.055 148 V CA 1.752 63.849 62.300 -0.338 0.000 1.049 148 V CB -0.791 30.761 31.823 -0.451 0.000 0.662 148 V HN 0.775 nan 8.190 nan 0.000 0.455 149 S N -0.379 115.232 115.700 -0.149 0.000 2.522 149 S HA 0.204 4.674 4.470 -0.000 0.000 0.227 149 S C 1.535 176.155 174.600 0.034 0.000 0.986 149 S CA 0.901 59.074 58.200 -0.046 0.000 0.929 149 S CB 0.559 63.749 63.200 -0.017 0.000 0.769 149 S HN 1.188 nan 8.310 nan 0.000 0.529 150 G N -0.241 108.540 108.800 -0.032 0.000 2.159 150 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.170 150 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.170 150 G C -0.216 174.741 174.900 0.095 0.000 1.007 150 G CA -0.207 44.900 45.100 0.011 0.000 0.672 150 G HN 0.583 nan 8.290 nan 0.000 0.507 151 V N 1.913 121.864 119.914 0.062 0.000 2.370 151 V HA 0.593 4.713 4.120 -0.000 0.000 0.279 151 V C 1.378 177.525 176.094 0.090 0.000 1.029 151 V CA 0.656 63.011 62.300 0.092 0.000 0.870 151 V CB 1.411 33.270 31.823 0.059 0.000 0.984 151 V HN 0.600 nan 8.190 nan 0.000 0.451 152 T N -0.321 114.305 114.554 0.119 0.000 3.023 152 T HA 0.166 4.516 4.350 -0.000 0.000 0.253 152 T C 0.601 175.390 174.700 0.148 0.000 1.038 152 T CA -0.033 62.137 62.100 0.117 0.000 0.962 152 T CB 0.300 69.233 68.868 0.109 0.000 1.018 152 T HN 0.531 nan 8.240 nan 0.000 0.521 153 T N 2.305 116.959 114.554 0.166 0.000 2.886 153 T HA 0.692 5.042 4.350 -0.000 0.000 0.292 153 T C -1.067 173.740 174.700 0.179 0.000 1.012 153 T CA -0.585 61.641 62.100 0.210 0.000 0.982 153 T CB 1.791 70.797 68.868 0.230 0.000 1.018 153 T HN 0.190 nan 8.240 nan 0.000 0.451 154 M N 3.095 122.832 119.600 0.228 0.000 2.204 154 M HA 0.528 5.007 4.480 -0.000 0.000 0.293 154 M C -1.229 175.210 176.300 0.232 0.000 0.994 154 M CA -0.837 54.569 55.300 0.177 0.000 0.925 154 M CB 2.254 34.978 32.600 0.207 0.000 1.577 154 M HN 0.234 nan 8.290 nan 0.000 0.439 155 V N 2.401 122.361 119.914 0.076 0.000 2.495 155 V HA 1.016 5.136 4.120 -0.000 0.000 0.298 155 V C 0.248 176.331 176.094 -0.019 0.000 1.031 155 V CA -0.204 62.130 62.300 0.056 0.000 0.871 155 V CB 1.667 33.407 31.823 -0.138 0.000 0.988 155 V HN 1.072 nan 8.190 nan 0.000 0.432 156 G N 2.808 111.656 108.800 0.081 0.000 2.335 156 G HA2 0.649 4.609 3.960 -0.000 0.000 0.291 156 G HA3 0.649 4.609 3.960 -0.000 0.000 0.291 156 G C -0.679 174.317 174.900 0.160 0.000 1.261 156 G CA 0.096 45.176 45.100 -0.033 0.000 0.871 156 G HN 1.106 nan 8.290 nan 0.000 0.491 157 G N -1.935 106.918 108.800 0.088 0.000 2.690 157 G HA2 1.005 4.965 3.960 -0.000 0.000 0.293 157 G HA3 1.005 4.965 3.960 -0.000 0.000 0.293 157 G C -0.256 174.804 174.900 0.266 0.000 1.399 157 G CA 0.222 45.474 45.100 0.254 0.000 0.890 157 G HN 2.175 nan 8.290 nan 0.000 0.485 158 G N -1.534 107.440 108.800 0.289 0.000 2.339 158 G HA2 0.535 4.494 3.960 -0.000 0.000 0.302 158 G HA3 0.535 4.494 3.960 -0.000 0.000 0.302 158 G C 0.116 175.086 174.900 0.116 0.000 1.425 158 G CA 0.961 46.188 45.100 0.211 0.000 0.899 158 G HN 1.613 nan 8.290 nan 0.000 0.619 159 T N -2.919 111.638 114.554 0.005 0.000 3.058 159 T HA 0.628 4.978 4.350 -0.000 0.000 0.278 159 T C 1.246 175.943 174.700 -0.006 0.000 0.974 159 T CA 1.191 63.238 62.100 -0.088 0.000 0.893 159 T CB 0.595 69.172 68.868 -0.484 0.000 1.138 159 T HN 2.684 nan 8.240 nan 0.000 0.529 160 G N 2.424 111.245 108.800 0.034 0.000 2.298 160 G HA2 0.166 4.126 3.960 -0.000 0.000 0.309 160 G HA3 0.166 4.126 3.960 -0.000 0.000 0.309 160 G C -2.918 171.962 174.900 -0.034 0.000 1.279 160 G CA -0.428 44.699 45.100 0.045 0.000 1.042 160 G HN 0.056 nan 8.290 nan 0.000 0.480 161 P HA 0.470 nan 4.420 nan 0.000 0.231 161 P C 0.019 177.115 177.300 -0.339 0.000 1.756 161 P CA 1.061 64.068 63.100 -0.156 0.000 0.990 161 P CB -0.001 31.750 31.700 0.085 0.000 1.973 162 A N 1.100 123.660 122.820 -0.433 0.000 2.337 162 A HA 0.651 4.971 4.320 -0.000 0.000 0.331 162 A C 1.560 178.941 177.584 -0.338 0.000 1.137 162 A CA -0.199 51.678 52.037 -0.266 0.000 0.807 162 A CB 1.210 20.129 19.000 -0.134 0.000 1.250 162 A HN 0.212 nan 8.150 nan 0.000 0.468 163 A N 1.613 124.379 122.820 -0.089 0.000 1.903 163 A HA -0.040 4.280 4.320 -0.000 0.000 0.219 163 A C 2.209 179.780 177.584 -0.023 0.000 1.191 163 A CA 2.777 54.809 52.037 -0.008 0.000 0.638 163 A CB -1.380 17.429 19.000 -0.318 0.000 0.823 163 A HN 1.654 nan 8.150 nan 0.000 0.451 164 G N -1.603 107.173 108.800 -0.040 0.000 2.440 164 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 164 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 164 G C 1.558 176.544 174.900 0.143 0.000 1.154 164 G CA 1.716 46.861 45.100 0.073 0.000 0.767 164 G HN 0.465 nan 8.290 nan 0.000 0.552 165 T N -0.094 114.511 114.554 0.085 0.000 2.942 165 T HA -0.004 4.345 4.350 -0.000 0.000 0.265 165 T C 2.103 176.950 174.700 0.244 0.000 1.062 165 T CA 0.889 63.069 62.100 0.133 0.000 1.139 165 T CB -0.271 68.620 68.868 0.038 0.000 0.883 165 T HN 0.292 nan 8.240 nan 0.000 0.468 166 H N 1.150 120.318 119.070 0.164 0.000 2.422 166 H HA 0.095 4.651 4.556 -0.000 0.000 0.298 166 H C 2.337 177.670 175.328 0.009 0.000 1.098 166 H CA 1.347 57.440 56.048 0.074 0.000 1.315 166 H CB -0.316 29.502 29.762 0.093 0.000 1.382 166 H HN 0.423 nan 8.280 nan 0.000 0.523 167 A N 0.036 123.002 122.820 0.243 0.000 2.014 167 A HA 0.108 4.428 4.320 -0.000 0.000 0.210 167 A C 1.227 178.930 177.584 0.199 0.000 1.188 167 A CA 0.916 53.035 52.037 0.137 0.000 0.731 167 A CB 0.173 19.255 19.000 0.137 0.000 0.858 167 A HN 0.431 nan 8.150 nan 0.000 0.464 168 T N -2.754 111.918 114.554 0.196 0.000 2.906 168 T HA 0.455 4.805 4.350 -0.000 0.000 0.295 168 T C -0.164 174.540 174.700 0.007 0.000 1.061 168 T CA 0.220 62.380 62.100 0.100 0.000 1.000 168 T CB 1.316 70.165 68.868 -0.031 0.000 1.103 168 T HN 0.297 nan 8.240 nan 0.000 0.486 169 T N 0.041 114.503 114.554 -0.154 0.000 4.058 169 T HA 0.461 4.811 4.350 -0.000 0.000 0.252 169 T C 0.032 174.738 174.700 0.011 0.000 1.264 169 T CA -0.673 61.278 62.100 -0.249 0.000 1.094 169 T CB -1.908 66.828 68.868 -0.221 0.000 1.316 169 T HN 0.713 nan 8.240 nan 0.000 0.872 170 C N 1.694 121.040 119.300 0.077 0.000 2.441 170 C HA 0.613 5.073 4.460 -0.000 0.000 0.318 170 C C 0.527 175.550 174.990 0.055 0.000 1.222 170 C CA -0.855 58.205 59.018 0.070 0.000 1.474 170 C CB 1.267 29.039 27.740 0.053 0.000 2.125 170 C HN 0.648 nan 8.230 nan 0.000 0.479 171 T N 4.621 119.203 114.554 0.047 0.000 2.929 171 T HA 0.302 4.652 4.350 -0.000 0.000 0.331 171 T C -2.662 172.053 174.700 0.025 0.000 1.120 171 T CA -0.723 61.405 62.100 0.046 0.000 0.973 171 T CB 0.327 69.248 68.868 0.087 0.000 1.036 171 T HN 0.428 nan 8.240 nan 0.000 0.502 172 P HA 0.350 nan 4.420 nan 0.000 0.269 172 P C 0.712 178.080 177.300 0.112 0.000 1.252 172 P CA 0.693 63.780 63.100 -0.022 0.000 0.780 172 P CB 0.130 31.780 31.700 -0.083 0.000 0.829 173 G N 5.438 114.272 108.800 0.057 0.000 2.846 173 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.660 173 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.660 173 G C -2.016 172.960 174.900 0.126 0.000 1.464 173 G CA -0.797 44.356 45.100 0.089 0.000 0.891 173 G HN 0.245 nan 8.290 nan 0.000 0.552 174 P HA -0.153 nan 4.420 nan 0.000 0.216 174 P C 1.667 179.031 177.300 0.107 0.000 1.157 174 P CA 2.327 65.478 63.100 0.087 0.000 0.880 174 P CB -0.021 31.726 31.700 0.078 0.000 0.791 175 W N -1.169 120.107 121.300 -0.041 0.000 2.354 175 W HA -0.181 4.479 4.660 -0.000 0.000 0.315 175 W C 2.370 178.824 176.519 -0.108 0.000 1.206 175 W CA 1.484 58.763 57.345 -0.110 0.000 1.290 175 W CB -1.140 28.202 29.460 -0.197 0.000 1.152 175 W HN -0.063 nan 8.180 nan 0.000 0.489 176 Y N -0.143 120.297 120.300 0.234 0.000 2.242 176 Y HA -0.221 4.329 4.550 -0.000 0.000 0.291 176 Y C 2.387 178.253 175.900 -0.057 0.000 1.137 176 Y CA 1.641 59.788 58.100 0.077 0.000 1.181 176 Y CB -0.492 38.065 38.460 0.162 0.000 0.989 176 Y HN -0.117 nan 8.280 nan 0.000 0.527 177 I N -1.045 119.601 120.570 0.127 0.000 2.163 177 I HA -0.363 3.807 4.170 -0.000 0.000 0.243 177 I C 2.388 178.476 176.117 -0.049 0.000 1.085 177 I CA 1.386 62.710 61.300 0.040 0.000 1.347 177 I CB -0.477 37.548 38.000 0.042 0.000 1.044 177 I HN 0.083 nan 8.210 nan 0.000 0.408 178 S N 0.249 115.884 115.700 -0.108 0.000 2.359 178 S HA -0.222 4.248 4.470 -0.000 0.000 0.224 178 S C 2.094 176.545 174.600 -0.250 0.000 1.035 178 S CA 1.414 59.505 58.200 -0.181 0.000 1.018 178 S CB -0.267 62.790 63.200 -0.238 0.000 0.876 178 S HN 0.265 nan 8.310 nan 0.000 0.448 179 R N 0.844 121.124 120.500 -0.368 0.000 2.081 179 R HA 0.128 4.468 4.340 -0.000 0.000 0.235 179 R C 2.293 178.470 176.300 -0.206 0.000 1.131 179 R CA 1.258 57.133 56.100 -0.374 0.000 0.960 179 R CB -0.369 29.601 30.300 -0.551 0.000 0.856 179 R HN 0.313 nan 8.270 nan 0.000 0.436 180 M N -0.231 119.286 119.600 -0.138 0.000 2.175 180 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 180 M C 2.095 178.290 176.300 -0.175 0.000 1.063 180 M CA 1.334 56.544 55.300 -0.151 0.000 1.119 180 M CB -0.678 31.848 32.600 -0.124 0.000 1.377 180 M HN 0.160 nan 8.290 nan 0.000 0.415 181 L N -0.338 120.803 121.223 -0.137 0.000 2.083 181 L HA -0.249 4.091 4.340 -0.000 0.000 0.209 181 L C 2.565 179.356 176.870 -0.133 0.000 1.083 181 L CA 1.252 56.020 54.840 -0.120 0.000 0.752 181 L CB -0.527 41.479 42.059 -0.088 0.000 0.899 181 L HN 0.400 nan 8.230 nan 0.000 0.433 182 Q N -0.476 119.238 119.800 -0.145 0.000 2.079 182 Q HA -0.173 4.167 4.340 -0.000 0.000 0.200 182 Q C 2.432 178.358 176.000 -0.124 0.000 0.974 182 Q CA 1.541 57.262 55.803 -0.136 0.000 0.840 182 Q CB -0.234 28.415 28.738 -0.150 0.000 0.898 182 Q HN 0.553 nan 8.270 nan 0.000 0.430 183 A N 1.139 123.876 122.820 -0.140 0.000 1.972 183 A HA -0.108 4.212 4.320 -0.000 0.000 0.219 183 A C 2.300 179.796 177.584 -0.147 0.000 1.169 183 A CA 1.427 53.385 52.037 -0.132 0.000 0.635 183 A CB -0.716 18.193 19.000 -0.151 0.000 0.810 183 A HN 0.398 nan 8.150 nan 0.000 0.446 184 A N 0.086 122.795 122.820 -0.185 0.000 1.986 184 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 184 A C 1.678 179.210 177.584 -0.088 0.000 1.171 184 A CA 1.934 53.860 52.037 -0.185 0.000 0.640 184 A CB -0.599 18.293 19.000 -0.180 0.000 0.811 184 A HN 0.449 nan 8.150 nan 0.000 0.451 185 D N -0.229 120.138 120.400 -0.054 0.000 2.263 185 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 185 D C 1.733 178.115 176.300 0.135 0.000 0.971 185 D CA 1.279 55.303 54.000 0.042 0.000 0.867 185 D CB -0.112 40.666 40.800 -0.036 0.000 0.929 185 D HN 0.394 nan 8.370 nan 0.000 0.492 186 S N -0.510 115.215 115.700 0.042 0.000 2.593 186 S HA 0.127 4.597 4.470 -0.000 0.000 0.217 186 S C 0.856 175.455 174.600 -0.002 0.000 0.966 186 S CA -0.056 58.160 58.200 0.026 0.000 0.914 186 S CB 0.503 63.702 63.200 -0.001 0.000 0.776 186 S HN 0.173 nan 8.310 nan 0.000 0.523 187 L N 2.709 123.926 121.223 -0.010 0.000 2.317 187 L HA 0.374 4.714 4.340 -0.000 0.000 0.281 187 L C -1.965 174.919 176.870 0.023 0.000 1.024 187 L CA -2.231 52.610 54.840 0.001 0.000 0.810 187 L CB 1.318 43.363 42.059 -0.023 0.000 1.240 187 L HN -0.175 nan 8.230 nan 0.000 0.427 188 P HA 0.017 nan 4.420 nan 0.000 0.259 188 P C -0.454 176.880 177.300 0.057 0.000 1.480 188 P CA 0.278 63.399 63.100 0.034 0.000 0.842 188 P CB -0.094 31.620 31.700 0.024 0.000 1.513 189 V N -3.648 116.313 119.914 0.078 0.000 3.040 189 V HA 0.551 4.671 4.120 -0.000 0.000 0.312 189 V C -0.335 175.824 176.094 0.109 0.000 1.115 189 V CA -1.403 60.964 62.300 0.110 0.000 0.998 189 V CB 1.843 33.765 31.823 0.164 0.000 1.042 189 V HN -0.180 nan 8.190 nan 0.000 0.433 190 N N 1.721 120.499 118.700 0.130 0.000 2.518 190 N HA 0.609 5.349 4.740 -0.000 0.000 0.266 190 N C -0.739 174.912 175.510 0.235 0.000 1.196 190 N CA 0.100 53.218 53.050 0.114 0.000 0.947 190 N CB 1.341 39.942 38.487 0.190 0.000 1.098 190 N HN 0.743 nan 8.380 nan 0.000 0.450 191 I N -0.256 120.436 120.570 0.204 0.000 2.686 191 I HA 0.494 4.664 4.170 -0.000 0.000 0.295 191 I C 0.183 176.532 176.117 0.386 0.000 1.114 191 I CA -0.878 60.605 61.300 0.306 0.000 1.038 191 I CB 2.521 40.611 38.000 0.150 0.000 1.238 191 I HN 0.431 nan 8.210 nan 0.000 0.420 192 G N 5.702 114.740 108.800 0.397 0.000 2.701 192 G HA2 0.731 4.691 3.960 -0.000 0.000 0.300 192 G HA3 0.731 4.691 3.960 -0.000 0.000 0.300 192 G C -1.378 173.679 174.900 0.261 0.000 1.410 192 G CA -0.467 44.831 45.100 0.329 0.000 1.014 192 G HN 0.380 nan 8.290 nan 0.000 0.509 193 L N 1.096 122.440 121.223 0.202 0.000 2.334 193 L HA 0.631 4.971 4.340 -0.000 0.000 0.270 193 L C -0.246 176.711 176.870 0.144 0.000 1.018 193 L CA -0.978 53.980 54.840 0.197 0.000 0.811 193 L CB 1.960 44.100 42.059 0.136 0.000 1.271 193 L HN 0.198 nan 8.230 nan 0.000 0.443 194 L N 0.878 122.182 121.223 0.136 0.000 2.346 194 L HA 0.635 4.975 4.340 -0.000 0.000 0.276 194 L C 0.415 177.324 176.870 0.065 0.000 1.006 194 L CA -0.502 54.392 54.840 0.089 0.000 0.817 194 L CB 1.809 43.914 42.059 0.077 0.000 1.272 194 L HN 0.677 nan 8.230 nan 0.000 0.421 195 G N 1.140 109.960 108.800 0.034 0.000 2.535 195 G HA2 0.283 4.243 3.960 -0.000 0.000 0.303 195 G HA3 0.283 4.243 3.960 -0.000 0.000 0.303 195 G C -0.906 173.969 174.900 -0.041 0.000 1.237 195 G CA -0.565 44.536 45.100 0.001 0.000 0.986 195 G HN 0.538 nan 8.290 nan 0.000 0.494 196 K N 0.041 120.375 120.400 -0.111 0.000 2.316 196 K HA 0.293 4.613 4.320 -0.000 0.000 0.289 196 K C 1.033 177.542 176.600 -0.151 0.000 1.070 196 K CA -0.043 56.117 56.287 -0.213 0.000 0.928 196 K CB 0.529 32.753 32.500 -0.460 0.000 1.039 196 K HN 0.447 nan 8.250 nan 0.000 0.480 197 G N 3.519 112.265 108.800 -0.091 0.000 3.042 197 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 197 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 197 G C -0.058 174.815 174.900 -0.045 0.000 1.166 197 G CA -0.331 44.734 45.100 -0.057 0.000 0.767 197 G HN 0.628 nan 8.290 nan 0.000 0.546 198 N N 0.895 119.561 118.700 -0.058 0.000 2.739 198 N HA 0.411 5.151 4.740 -0.000 0.000 0.266 198 N C -0.896 174.598 175.510 -0.026 0.000 1.168 198 N CA 0.159 53.207 53.050 -0.003 0.000 1.055 198 N CB 1.206 39.749 38.487 0.092 0.000 1.393 198 N HN 0.035 nan 8.380 nan 0.000 0.514 199 V N -0.860 119.042 119.914 -0.020 0.000 3.147 199 V HA 0.336 4.456 4.120 -0.000 0.000 0.299 199 V C 0.235 176.323 176.094 -0.010 0.000 1.302 199 V CA -0.943 61.345 62.300 -0.020 0.000 1.015 199 V CB 2.098 33.899 31.823 -0.037 0.000 1.086 199 V HN 0.255 nan 8.190 nan 0.000 0.437 200 S N 0.665 116.362 115.700 -0.005 0.000 2.575 200 S HA 0.182 4.652 4.470 -0.000 0.000 0.237 200 S C 0.148 174.744 174.600 -0.007 0.000 0.975 200 S CA 0.009 58.207 58.200 -0.004 0.000 0.960 200 S CB -0.010 63.191 63.200 0.001 0.000 0.822 200 S HN 0.792 nan 8.310 nan 0.000 0.472 201 Q N 1.636 121.430 119.800 -0.011 0.000 2.363 201 Q HA 0.423 4.763 4.340 -0.000 0.000 0.265 201 Q C -2.473 173.518 176.000 -0.014 0.000 1.032 201 Q CA -2.186 53.610 55.803 -0.011 0.000 0.746 201 Q CB 1.507 30.239 28.738 -0.011 0.000 1.237 201 Q HN -0.097 nan 8.270 nan 0.000 0.475 202 P HA -0.177 nan 4.420 nan 0.000 0.216 202 P C 0.221 177.514 177.300 -0.012 0.000 1.154 202 P CA 1.337 64.429 63.100 -0.013 0.000 0.865 202 P CB 0.383 32.077 31.700 -0.010 0.000 0.789 203 D N -0.696 119.698 120.400 -0.011 0.000 2.149 203 D HA -0.149 4.491 4.640 -0.000 0.000 0.198 203 D C 1.962 178.255 176.300 -0.011 0.000 0.990 203 D CA 1.632 55.626 54.000 -0.009 0.000 0.839 203 D CB -0.732 40.064 40.800 -0.008 0.000 0.948 203 D HN 0.103 nan 8.370 nan 0.000 0.460 204 A N 0.320 123.131 122.820 -0.016 0.000 2.019 204 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 204 A C 2.343 179.912 177.584 -0.024 0.000 1.164 204 A CA 0.824 52.849 52.037 -0.021 0.000 0.644 204 A CB -0.468 18.514 19.000 -0.029 0.000 0.805 204 A HN 0.220 nan 8.150 nan 0.000 0.449 205 L N -1.732 119.478 121.223 -0.022 0.000 2.168 205 L HA -0.031 4.309 4.340 -0.000 0.000 0.203 205 L C 2.750 179.612 176.870 -0.013 0.000 1.078 205 L CA 0.721 55.548 54.840 -0.022 0.000 0.780 205 L CB -0.473 41.572 42.059 -0.023 0.000 0.939 205 L HN 0.294 nan 8.230 nan 0.000 0.451 206 R N 0.445 120.940 120.500 -0.009 0.000 2.091 206 R HA -0.182 4.158 4.340 -0.000 0.000 0.238 206 R C 2.121 178.421 176.300 -0.001 0.000 1.136 206 R CA 1.468 57.565 56.100 -0.004 0.000 0.959 206 R CB -0.302 29.995 30.300 -0.005 0.000 0.856 206 R HN 0.449 nan 8.270 nan 0.000 0.437 207 E N 0.719 120.918 120.200 -0.001 0.000 2.085 207 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 207 E C 2.152 178.757 176.600 0.008 0.000 0.994 207 E CA 1.251 57.653 56.400 0.003 0.000 0.801 207 E CB -0.047 29.655 29.700 0.004 0.000 0.743 207 E HN 0.444 nan 8.360 nan 0.000 0.453 208 Q N 0.253 120.055 119.800 0.004 0.000 2.084 208 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 208 Q C 2.406 178.415 176.000 0.014 0.000 0.978 208 Q CA 1.346 57.155 55.803 0.009 0.000 0.844 208 Q CB 0.025 28.762 28.738 -0.002 0.000 0.898 208 Q HN 0.168 nan 8.270 nan 0.000 0.426 209 V N 0.844 120.764 119.914 0.011 0.000 2.358 209 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 209 V C 2.238 178.343 176.094 0.018 0.000 1.047 209 V CA 1.713 64.023 62.300 0.017 0.000 1.035 209 V CB -0.938 30.893 31.823 0.012 0.000 0.658 209 V HN 0.358 nan 8.190 nan 0.000 0.452 210 A N 0.016 122.843 122.820 0.012 0.000 2.015 210 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 210 A C 2.323 179.914 177.584 0.011 0.000 1.163 210 A CA 1.712 53.755 52.037 0.011 0.000 0.646 210 A CB -0.532 18.472 19.000 0.007 0.000 0.806 210 A HN 0.562 nan 8.150 nan 0.000 0.448 211 A N -2.022 120.806 122.820 0.012 0.000 2.067 211 A HA 0.383 4.703 4.320 -0.000 0.000 0.217 211 A C 1.774 179.364 177.584 0.009 0.000 1.156 211 A CA 1.713 53.756 52.037 0.010 0.000 0.683 211 A CB -0.409 18.600 19.000 0.016 0.000 0.808 211 A HN 1.608 nan 8.150 nan 0.000 0.455 212 G N -1.877 106.935 108.800 0.020 0.000 2.613 212 G HA2 0.047 4.007 3.960 -0.000 0.000 0.199 212 G HA3 0.047 4.007 3.960 -0.000 0.000 0.199 212 G C 0.285 175.215 174.900 0.051 0.000 0.991 212 G CA 0.056 45.173 45.100 0.029 0.000 0.756 212 G HN 1.375 nan 8.290 nan 0.000 0.515 213 V N 0.949 120.893 119.914 0.050 0.000 2.811 213 V HA 0.635 4.755 4.120 -0.000 0.000 0.302 213 V C 1.657 177.798 176.094 0.077 0.000 1.063 213 V CA 0.061 62.401 62.300 0.067 0.000 1.088 213 V CB 1.198 33.055 31.823 0.056 0.000 0.982 213 V HN 0.790 nan 8.190 nan 0.000 0.485 214 I N 0.341 120.972 120.570 0.101 0.000 3.875 214 I HA 0.755 4.925 4.170 -0.000 0.000 0.329 214 I C 0.656 176.839 176.117 0.109 0.000 1.295 214 I CA 0.364 61.729 61.300 0.109 0.000 1.129 214 I CB -0.231 37.849 38.000 0.132 0.000 1.008 214 I HN 0.899 nan 8.210 nan 0.000 0.413 215 G N 0.831 109.687 108.800 0.092 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 -1.629 173.296 174.900 0.042 0.000 1.425 215 G CA -0.724 44.424 45.100 0.080 0.000 0.788 215 G HN 0.086 nan 8.290 nan 0.000 0.490 219 H N 5.561 124.718 119.070 0.146 0.000 2.600 219 H HA 0.386 4.942 4.556 -0.000 0.000 0.357 219 H C 0.658 176.007 175.328 0.035 0.000 1.106 219 H CA -0.288 55.818 56.048 0.096 0.000 1.193 219 H CB 2.374 32.241 29.762 0.176 0.000 1.594 219 H HN 0.842 nan 8.280 nan 0.000 0.526 220 E N 2.422 122.522 120.200 -0.167 0.000 2.160 220 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 220 E C 0.132 176.765 176.600 0.055 0.000 0.991 220 E CA 1.546 57.926 56.400 -0.034 0.000 0.810 220 E CB 0.158 29.802 29.700 -0.093 0.000 0.742 220 E HN 0.473 nan 8.360 nan 0.000 0.466 221 D N 0.161 120.663 120.400 0.169 0.000 2.263 221 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 221 D C 0.687 176.865 176.300 -0.202 0.000 0.971 221 D CA 0.985 54.926 54.000 -0.098 0.000 0.867 221 D CB -0.237 40.383 40.800 -0.301 0.000 0.929 221 D HN 0.503 nan 8.370 nan 0.000 0.492 222 W N 0.210 121.559 121.300 0.082 0.000 3.220 222 W HA 0.388 5.048 4.660 -0.000 0.000 0.328 222 W C 0.606 177.143 176.519 0.030 0.000 1.205 222 W CA 0.041 57.408 57.345 0.038 0.000 1.773 222 W CB 0.901 30.381 29.460 0.033 0.000 1.086 222 W HN -0.063 nan 8.180 nan 0.000 0.622 223 G N 1.232 110.157 108.800 0.208 0.000 2.721 223 G HA2 0.097 4.057 3.960 -0.000 0.000 0.462 223 G HA3 0.097 4.057 3.960 -0.000 0.000 0.462 223 G C -0.303 174.660 174.900 0.106 0.000 1.062 223 G CA -0.639 44.535 45.100 0.124 0.000 1.233 223 G HN 0.388 nan 8.290 nan 0.000 0.545 224 A N 2.229 125.093 122.820 0.074 0.000 3.091 224 A HA 0.677 4.997 4.320 -0.000 0.000 0.264 224 A C 1.234 178.844 177.584 0.043 0.000 1.673 224 A CA 0.842 52.914 52.037 0.058 0.000 1.362 224 A CB -0.509 18.516 19.000 0.042 0.000 1.137 224 A HN 2.005 nan 8.150 nan 0.000 0.617 225 T N -2.160 112.419 114.554 0.043 0.000 2.902 225 T HA 0.465 4.815 4.350 -0.000 0.000 0.280 225 T C -1.892 172.825 174.700 0.029 0.000 0.992 225 T CA -1.752 60.367 62.100 0.033 0.000 1.015 225 T CB 1.187 70.071 68.868 0.027 0.000 1.044 225 T HN 0.079 nan 8.240 nan 0.000 0.520 226 P HA -0.056 nan 4.420 nan 0.000 0.216 226 P C 1.618 178.923 177.300 0.008 0.000 1.150 226 P CA 1.464 64.573 63.100 0.015 0.000 0.837 226 P CB -0.235 31.470 31.700 0.008 0.000 0.786 227 A N -0.045 122.780 122.820 0.008 0.000 1.873 227 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 227 A C 2.327 179.915 177.584 0.006 0.000 1.186 227 A CA 2.094 54.133 52.037 0.005 0.000 0.616 227 A CB -1.620 17.384 19.000 0.006 0.000 0.823 227 A HN 0.184 nan 8.150 nan 0.000 0.442 228 A N -0.126 122.702 122.820 0.013 0.000 1.902 228 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 228 A C 2.140 179.727 177.584 0.006 0.000 1.181 228 A CA 1.567 53.612 52.037 0.013 0.000 0.623 228 A CB -0.635 18.383 19.000 0.030 0.000 0.818 228 A HN 0.499 nan 8.150 nan 0.000 0.443 229 I N -0.345 120.230 120.570 0.008 0.000 2.179 229 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 229 I C 2.347 178.457 176.117 -0.011 0.000 1.088 229 I CA 1.945 63.244 61.300 -0.002 0.000 1.357 229 I CB -0.401 37.601 38.000 0.004 0.000 1.051 229 I HN 0.419 nan 8.210 nan 0.000 0.409 230 D N 0.161 120.556 120.400 -0.009 0.000 2.104 230 D HA -0.245 4.395 4.640 -0.000 0.000 0.194 230 D C 2.318 178.610 176.300 -0.014 0.000 0.994 230 D CA 1.404 55.396 54.000 -0.013 0.000 0.830 230 D CB -0.205 40.589 40.800 -0.010 0.000 0.959 230 D HN 0.401 nan 8.370 nan 0.000 0.452 231 C N 0.117 119.411 119.300 -0.011 0.000 2.413 231 C HA -0.025 4.435 4.460 -0.000 0.000 0.277 231 C C 2.919 177.899 174.990 -0.016 0.000 1.228 231 C CA 1.714 60.724 59.018 -0.012 0.000 1.731 231 C CB -1.512 26.222 27.740 -0.010 0.000 2.042 231 C HN 0.453 nan 8.230 nan 0.000 0.468 232 A N 0.098 122.907 122.820 -0.018 0.000 1.908 232 A HA -0.101 4.219 4.320 -0.000 0.000 0.218 232 A C 2.193 179.761 177.584 -0.027 0.000 1.181 232 A CA 1.950 53.973 52.037 -0.024 0.000 0.627 232 A CB -0.756 18.227 19.000 -0.027 0.000 0.818 232 A HN 0.688 nan 8.150 nan 0.000 0.445 233 L N -0.886 120.320 121.223 -0.029 0.000 2.093 233 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 233 L C 2.771 179.625 176.870 -0.026 0.000 1.085 233 L CA 1.637 56.458 54.840 -0.032 0.000 0.755 233 L CB -0.767 41.272 42.059 -0.034 0.000 0.904 233 L HN 0.351 nan 8.230 nan 0.000 0.435 234 T N -0.622 113.919 114.554 -0.022 0.000 2.746 234 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 234 T C 1.973 176.662 174.700 -0.017 0.000 1.039 234 T CA 1.380 63.469 62.100 -0.018 0.000 1.142 234 T CB -0.149 68.710 68.868 -0.015 0.000 0.866 234 T HN 0.069 nan 8.240 nan 0.000 0.444 235 V N 1.640 121.544 119.914 -0.017 0.000 2.358 235 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 235 V C 2.876 178.961 176.094 -0.016 0.000 1.047 235 V CA 1.505 63.796 62.300 -0.015 0.000 1.035 235 V CB -1.203 30.611 31.823 -0.015 0.000 0.658 235 V HN 0.509 nan 8.190 nan 0.000 0.452 236 A N -0.048 122.759 122.820 -0.021 0.000 1.908 236 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 236 A C 1.984 179.555 177.584 -0.023 0.000 1.181 236 A CA 2.112 54.135 52.037 -0.023 0.000 0.627 236 A CB -0.625 18.354 19.000 -0.034 0.000 0.818 236 A HN 0.515 nan 8.150 nan 0.000 0.445 237 D N -0.304 120.082 120.400 -0.024 0.000 2.219 237 D HA -0.126 4.514 4.640 -0.000 0.000 0.205 237 D C 2.022 178.311 176.300 -0.018 0.000 0.970 237 D CA 1.526 55.513 54.000 -0.022 0.000 0.851 237 D CB -0.197 40.590 40.800 -0.022 0.000 0.943 237 D HN 0.879 nan 8.370 nan 0.000 0.488 238 E N -0.570 119.622 120.200 -0.015 0.000 2.276 238 E HA 0.041 4.390 4.350 -0.000 0.000 0.193 238 E C 1.593 178.188 176.600 -0.010 0.000 0.983 238 E CA 0.230 56.623 56.400 -0.012 0.000 0.861 238 E CB -0.073 29.621 29.700 -0.010 0.000 0.817 238 E HN 0.190 nan 8.360 nan 0.000 0.485 239 M N 0.978 120.573 119.600 -0.009 0.000 2.371 239 M HA 0.121 4.601 4.480 -0.000 0.000 0.246 239 M C -0.309 175.990 176.300 -0.002 0.000 1.103 239 M CA 0.003 55.301 55.300 -0.004 0.000 1.010 239 M CB 0.314 32.914 32.600 -0.000 0.000 1.457 239 M HN -0.099 nan 8.290 nan 0.000 0.486 240 D N 2.774 123.169 120.400 -0.009 0.000 2.746 240 D HA -0.152 4.488 4.640 -0.000 0.000 0.241 240 D C -1.102 175.196 176.300 -0.004 0.000 1.140 240 D CA 0.598 54.592 54.000 -0.011 0.000 0.707 240 D CB -0.793 40.000 40.800 -0.011 0.000 1.034 240 D HN 0.501 nan 8.370 nan 0.000 0.423 241 I N -2.441 118.125 120.570 -0.007 0.000 3.002 241 I HA 0.718 4.888 4.170 -0.000 0.000 0.310 241 I C -0.052 176.052 176.117 -0.023 0.000 1.087 241 I CA -1.180 60.122 61.300 0.004 0.000 1.017 241 I CB 1.546 39.557 38.000 0.020 0.000 1.226 241 I HN -0.116 nan 8.210 nan 0.000 0.443 242 Q N 1.636 121.421 119.800 -0.025 0.000 2.214 242 Q HA 0.743 5.082 4.340 -0.000 0.000 0.251 242 Q C -1.464 174.495 176.000 -0.068 0.000 0.936 242 Q CA -0.586 55.159 55.803 -0.096 0.000 0.894 242 Q CB 1.877 30.451 28.738 -0.273 0.000 1.252 242 Q HN 0.655 nan 8.270 nan 0.000 0.448 243 V N 2.150 121.999 119.914 -0.108 0.000 2.495 243 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 243 V C -0.726 175.242 176.094 -0.210 0.000 1.031 243 V CA -0.661 61.567 62.300 -0.120 0.000 0.871 243 V CB 1.426 33.190 31.823 -0.099 0.000 0.988 243 V HN 0.867 nan 8.190 nan 0.000 0.432 244 A N 4.997 127.616 122.820 -0.335 0.000 2.317 244 A HA 0.906 5.226 4.320 -0.000 0.000 0.327 244 A C -1.134 176.076 177.584 -0.624 0.000 1.178 244 A CA -0.487 51.089 52.037 -0.767 0.000 0.817 244 A CB 1.278 19.498 19.000 -1.299 0.000 1.189 244 A HN 0.819 nan 8.150 nan 0.000 0.489 245 L N 1.759 122.624 121.223 -0.596 0.000 2.365 245 L HA 0.608 4.948 4.340 -0.000 0.000 0.273 245 L C -0.620 176.162 176.870 -0.146 0.000 1.000 245 L CA -0.205 54.472 54.840 -0.271 0.000 0.819 245 L CB 1.796 43.768 42.059 -0.145 0.000 1.284 245 L HN 0.815 nan 8.230 nan 0.000 0.418 246 H N 3.013 122.014 119.070 -0.117 0.000 2.887 246 H HA 0.563 5.119 4.556 -0.000 0.000 0.300 246 H C -0.450 174.832 175.328 -0.077 0.000 1.038 246 H CA -0.337 55.699 56.048 -0.019 0.000 1.352 246 H CB 0.919 30.624 29.762 -0.095 0.000 1.473 246 H HN 0.835 nan 8.280 nan 0.000 0.503 247 S N 2.531 118.306 115.700 0.125 0.000 2.626 247 S HA -0.039 4.431 4.470 -0.000 0.000 0.257 247 S C 0.438 175.001 174.600 -0.062 0.000 1.288 247 S CA -0.845 57.377 58.200 0.037 0.000 0.980 247 S CB 0.842 64.083 63.200 0.069 0.000 0.975 247 S HN 0.747 nan 8.310 nan 0.000 0.577 248 D N 0.510 120.727 120.400 -0.305 0.000 2.441 248 D HA 0.162 4.802 4.640 -0.000 0.000 0.243 248 D C 0.972 177.000 176.300 -0.454 0.000 1.257 248 D CA 0.092 53.891 54.000 -0.335 0.000 1.027 248 D CB -0.235 40.402 40.800 -0.271 0.000 1.084 248 D HN 0.537 nan 8.370 nan 0.000 0.514 249 T N 3.474 117.931 114.554 -0.162 0.000 2.759 249 T HA -0.140 4.210 4.350 -0.000 0.000 0.269 249 T C 1.945 176.674 174.700 0.048 0.000 1.042 249 T CA 0.783 62.852 62.100 -0.052 0.000 1.140 249 T CB 0.005 68.901 68.868 0.047 0.000 0.864 249 T HN 0.438 nan 8.240 nan 0.000 0.455 250 L N 0.936 122.195 121.223 0.059 0.000 2.456 250 L HA 0.037 4.377 4.340 -0.000 0.000 0.224 250 L C 0.705 177.627 176.870 0.087 0.000 1.148 250 L CA 0.195 55.088 54.840 0.088 0.000 0.825 250 L CB -0.755 41.322 42.059 0.029 0.000 0.937 250 L HN 0.268 nan 8.230 nan 0.000 0.450 251 N N 0.143 118.891 118.700 0.081 0.000 2.714 251 N HA -0.272 4.468 4.740 -0.000 0.000 0.250 251 N C 1.153 176.654 175.510 -0.015 0.000 1.117 251 N CA 1.286 54.422 53.050 0.143 0.000 0.719 251 N CB -1.012 37.661 38.487 0.310 0.000 1.081 251 N HN 0.590 nan 8.380 nan 0.000 0.557 252 E N 0.532 120.725 120.200 -0.012 0.000 2.077 252 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 252 E C 1.500 178.067 176.600 -0.055 0.000 0.989 252 E CA 1.750 58.129 56.400 -0.034 0.000 0.800 252 E CB 0.109 29.796 29.700 -0.022 0.000 0.746 252 E HN 0.538 nan 8.360 nan 0.000 0.452 253 S N -1.244 114.434 115.700 -0.036 0.000 2.524 253 S HA 0.391 4.861 4.470 -0.000 0.000 0.215 253 S C 0.542 175.103 174.600 -0.065 0.000 0.986 253 S CA 0.062 58.241 58.200 -0.036 0.000 0.911 253 S CB 1.281 64.481 63.200 -0.000 0.000 0.805 253 S HN 0.406 nan 8.310 nan 0.000 0.501 254 G N -0.059 108.681 108.800 -0.099 0.000 2.337 254 G HA2 0.387 4.347 3.960 -0.000 0.000 0.298 254 G HA3 0.387 4.347 3.960 -0.000 0.000 0.298 254 G C -1.141 173.673 174.900 -0.143 0.000 1.335 254 G CA -1.139 43.837 45.100 -0.206 0.000 0.875 254 G HN 0.172 nan 8.290 nan 0.000 0.579 255 F N -1.013 118.940 119.950 0.005 0.000 2.321 255 F HA 0.500 5.027 4.527 -0.000 0.000 0.318 255 F C 1.892 177.326 175.800 -0.610 0.000 1.129 255 F CA -0.060 57.862 58.000 -0.129 0.000 1.074 255 F CB 1.365 40.324 39.000 -0.069 0.000 1.432 255 F HN 0.312 nan 8.300 nan 0.000 0.502 256 V N 1.492 121.073 119.914 -0.556 0.000 2.380 256 V HA -0.249 3.871 4.120 -0.000 0.000 0.251 256 V C 2.250 178.183 176.094 -0.268 0.000 1.063 256 V CA 2.477 64.380 62.300 -0.660 0.000 1.055 256 V CB -0.629 31.042 31.823 -0.253 0.000 0.657 256 V HN 0.838 nan 8.190 nan 0.000 0.455 257 E N -0.850 119.287 120.200 -0.105 0.000 2.153 257 E HA -0.272 4.078 4.350 -0.000 0.000 0.194 257 E C 1.669 178.238 176.600 -0.050 0.000 0.988 257 E CA 1.800 58.171 56.400 -0.047 0.000 0.811 257 E CB -0.684 29.024 29.700 0.014 0.000 0.746 257 E HN 0.684 nan 8.360 nan 0.000 0.466 258 D N 0.854 121.226 120.400 -0.047 0.000 2.149 258 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 258 D C 1.819 178.099 176.300 -0.034 0.000 0.972 258 D CA 1.554 55.535 54.000 -0.032 0.000 0.835 258 D CB -0.143 40.641 40.800 -0.026 0.000 0.966 258 D HN 0.199 nan 8.370 nan 0.000 0.476 259 T N 1.604 116.130 114.554 -0.046 0.000 2.708 259 T HA -0.068 4.282 4.350 -0.000 0.000 0.266 259 T C 2.292 176.967 174.700 -0.043 0.000 1.037 259 T CA 0.513 62.620 62.100 0.012 0.000 1.146 259 T CB -0.250 68.693 68.868 0.124 0.000 0.865 259 T HN 0.075 nan 8.240 nan 0.000 0.435 260 L N 0.740 121.904 121.223 -0.097 0.000 2.042 260 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 260 L C 2.970 179.769 176.870 -0.119 0.000 1.076 260 L CA 1.309 56.055 54.840 -0.156 0.000 0.749 260 L CB -0.603 41.306 42.059 -0.249 0.000 0.893 260 L HN 0.240 nan 8.230 nan 0.000 0.432 261 A N -0.195 122.578 122.820 -0.078 0.000 1.933 261 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 261 A C 2.521 180.082 177.584 -0.039 0.000 1.175 261 A CA 1.650 53.657 52.037 -0.050 0.000 0.628 261 A CB -0.670 18.312 19.000 -0.030 0.000 0.814 261 A HN 0.406 nan 8.150 nan 0.000 0.444 262 A N -0.028 122.773 122.820 -0.032 0.000 1.933 262 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 262 A C 2.076 179.642 177.584 -0.030 0.000 1.175 262 A CA 1.460 53.483 52.037 -0.022 0.000 0.628 262 A CB -0.602 18.393 19.000 -0.008 0.000 0.814 262 A HN 0.494 nan 8.150 nan 0.000 0.444 263 I N -0.394 120.149 120.570 -0.044 0.000 2.286 263 I HA -0.125 4.045 4.170 -0.000 0.000 0.248 263 I C 1.772 177.860 176.117 -0.049 0.000 1.115 263 I CA 0.983 62.252 61.300 -0.052 0.000 1.392 263 I CB -0.633 37.323 38.000 -0.073 0.000 1.065 263 I HN 0.482 nan 8.210 nan 0.000 0.418 264 G N 1.004 109.773 108.800 -0.051 0.000 2.356 264 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.296 264 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.296 264 G C 0.986 175.865 174.900 -0.035 0.000 1.022 264 G CA 0.437 45.513 45.100 -0.039 0.000 0.961 264 G HN 0.958 nan 8.290 nan 0.000 0.510 265 G N -1.734 107.039 108.800 -0.044 0.000 2.168 265 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.263 265 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.263 265 G C 0.572 175.454 174.900 -0.029 0.000 0.977 265 G CA 1.079 46.162 45.100 -0.028 0.000 0.659 265 G HN 1.023 nan 8.290 nan 0.000 0.533 266 R N 0.432 120.910 120.500 -0.037 0.000 2.531 266 R HA 0.480 4.820 4.340 -0.000 0.000 0.273 266 R C 0.435 176.708 176.300 -0.045 0.000 1.070 266 R CA -0.056 56.021 56.100 -0.038 0.000 1.112 266 R CB 0.471 30.748 30.300 -0.037 0.000 1.049 266 R HN 0.144 nan 8.270 nan 0.000 0.508 267 T N 2.990 117.516 114.554 -0.048 0.000 2.902 267 T HA 0.216 4.566 4.350 -0.000 0.000 0.301 267 T C 0.098 174.757 174.700 -0.069 0.000 1.012 267 T CA 0.453 62.518 62.100 -0.058 0.000 1.151 267 T CB 0.028 68.858 68.868 -0.062 0.000 0.946 267 T HN 0.378 nan 8.240 nan 0.000 0.542 268 I N 1.951 122.478 120.570 -0.072 0.000 2.787 268 I HA 0.225 4.395 4.170 -0.000 0.000 0.294 268 I C -0.799 175.290 176.117 -0.047 0.000 1.365 268 I CA -0.846 60.408 61.300 -0.077 0.000 1.029 268 I CB 2.055 40.008 38.000 -0.079 0.000 1.313 268 I HN 0.739 nan 8.210 nan 0.000 0.431 269 H N 5.703 124.650 119.070 -0.205 0.000 2.652 269 H HA 0.392 4.947 4.556 -0.000 0.000 0.298 269 H C -0.697 174.494 175.328 -0.228 0.000 1.076 269 H CA -0.531 55.401 56.048 -0.194 0.000 1.360 269 H CB 0.900 30.537 29.762 -0.209 0.000 1.421 269 H HN 0.592 nan 8.280 nan 0.000 0.464 270 T N 3.606 118.222 114.554 0.104 0.000 2.728 270 T HA 0.180 4.530 4.350 -0.000 0.000 0.296 270 T C -0.035 174.683 174.700 0.030 0.000 0.940 270 T CA -0.798 61.275 62.100 -0.046 0.000 1.013 270 T CB 0.181 69.020 68.868 -0.048 0.000 0.912 270 T HN 0.199 nan 8.240 nan 0.000 0.484 271 F N 3.736 123.476 119.950 -0.349 0.000 2.450 271 F HA 0.232 4.759 4.527 -0.000 0.000 0.339 271 F C 1.555 176.979 175.800 -0.626 0.000 1.146 271 F CA -0.916 56.786 58.000 -0.497 0.000 1.267 271 F CB -0.185 38.399 39.000 -0.693 0.000 1.178 271 F HN 0.953 nan 8.300 nan 0.000 0.585 272 H N -0.971 118.281 119.070 0.303 0.000 2.166 272 H HA -0.206 4.350 4.556 -0.000 0.000 0.323 272 H C 0.747 176.158 175.328 0.138 0.000 0.936 272 H CA 0.441 56.602 56.048 0.188 0.000 1.073 272 H CB -2.472 27.363 29.762 0.121 0.000 1.592 272 H HN 0.521 nan 8.280 nan 0.000 0.346 273 T N -0.896 113.767 114.554 0.181 0.000 2.946 273 T HA -0.229 4.120 4.350 -0.000 0.000 0.271 273 T C 1.729 176.592 174.700 0.272 0.000 1.104 273 T CA 1.288 63.437 62.100 0.083 0.000 1.114 273 T CB 0.037 68.688 68.868 -0.362 0.000 0.867 273 T HN 0.700 nan 8.240 nan 0.000 0.513 274 E N 0.816 121.256 120.200 0.400 0.000 2.208 274 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 274 E C 1.918 178.580 176.600 0.103 0.000 0.988 274 E CA 1.079 57.637 56.400 0.262 0.000 0.828 274 E CB -0.289 29.509 29.700 0.163 0.000 0.763 274 E HN 0.590 nan 8.360 nan 0.000 0.478 275 G N -0.057 108.800 108.800 0.095 0.000 2.259 275 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.217 275 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.217 275 G C 1.353 176.174 174.900 -0.132 0.000 1.001 275 G CA 0.660 45.746 45.100 -0.023 0.000 0.627 275 G HN 0.552 nan 8.290 nan 0.000 0.501 276 A N 0.746 123.499 122.820 -0.111 0.000 1.940 276 A HA 0.319 4.639 4.320 -0.000 0.000 0.219 276 A C 2.662 180.155 177.584 -0.152 0.000 1.176 276 A CA 2.427 54.388 52.037 -0.126 0.000 0.631 276 A CB -0.909 18.021 19.000 -0.116 0.000 0.814 276 A HN 1.655 nan 8.150 nan 0.000 0.446 277 G N -1.562 107.086 108.800 -0.255 0.000 2.744 277 G HA2 0.422 4.382 3.960 -0.000 0.000 0.211 277 G HA3 0.422 4.382 3.960 -0.000 0.000 0.211 277 G C 0.706 175.045 174.900 -0.935 0.000 1.143 277 G CA 0.814 45.613 45.100 -0.501 0.000 0.788 277 G HN 1.648 nan 8.290 nan 0.000 0.534 278 G N -2.346 105.969 108.800 -0.809 0.000 2.326 278 G HA2 0.574 4.534 3.960 -0.000 0.000 0.478 278 G HA3 0.574 4.534 3.960 -0.000 0.000 0.478 278 G C -0.320 174.267 174.900 -0.521 0.000 1.551 278 G CA -0.068 44.566 45.100 -0.777 0.000 0.946 278 G HN 1.776 nan 8.290 nan 0.000 0.671 279 G N 0.252 108.881 108.800 -0.284 0.000 2.326 279 G HA2 0.479 4.439 3.960 -0.000 0.000 0.413 279 G HA3 0.479 4.439 3.960 -0.000 0.000 0.413 279 G C -0.520 174.347 174.900 -0.054 0.000 1.444 279 G CA -0.463 44.568 45.100 -0.114 0.000 1.002 279 G HN 1.378 nan 8.290 nan 0.000 0.649 280 H N 0.221 119.307 119.070 0.026 0.000 3.243 280 H HA 0.237 4.793 4.556 -0.000 0.000 0.267 280 H C 1.147 176.487 175.328 0.019 0.000 0.875 280 H CA 1.459 57.540 56.048 0.055 0.000 1.413 280 H CB 0.381 30.192 29.762 0.082 0.000 1.459 280 H HN 0.931 nan 8.280 nan 0.000 0.536 281 A N 7.073 129.959 122.820 0.110 0.000 2.366 281 A HA 0.251 4.571 4.320 -0.000 0.000 0.272 281 A C -1.460 176.147 177.584 0.039 0.000 1.135 281 A CA -1.179 50.862 52.037 0.008 0.000 0.804 281 A CB 0.589 19.576 19.000 -0.022 0.000 1.064 281 A HN 0.542 nan 8.150 nan 0.000 0.499 282 P HA 0.160 nan 4.420 nan 0.000 0.290 282 P C -0.621 176.628 177.300 -0.086 0.000 1.447 282 P CA 0.163 63.150 63.100 -0.187 0.000 1.127 282 P CB 0.514 31.927 31.700 -0.477 0.000 1.555 283 D N -0.692 119.707 120.400 -0.001 0.000 2.559 283 D HA 0.038 4.678 4.640 -0.000 0.000 0.234 283 D C 1.263 177.596 176.300 0.056 0.000 1.226 283 D CA -0.668 53.345 54.000 0.022 0.000 0.830 283 D CB -0.531 40.276 40.800 0.012 0.000 1.028 283 D HN -0.030 nan 8.370 nan 0.000 0.492 284 I N 0.416 121.035 120.570 0.081 0.000 2.454 284 I HA -0.081 4.089 4.170 -0.000 0.000 0.254 284 I C 1.655 177.825 176.117 0.090 0.000 1.156 284 I CA 0.796 62.160 61.300 0.105 0.000 1.433 284 I CB -0.137 37.934 38.000 0.118 0.000 1.082 284 I HN 0.215 nan 8.210 nan 0.000 0.432 285 I N 0.448 121.077 120.570 0.099 0.000 2.530 285 I HA -0.312 3.858 4.170 -0.000 0.000 0.257 285 I C 2.087 178.279 176.117 0.125 0.000 1.179 285 I CA 1.781 63.170 61.300 0.149 0.000 1.440 285 I CB -0.329 37.769 38.000 0.165 0.000 1.087 285 I HN 0.493 nan 8.210 nan 0.000 0.440 286 T N -1.403 113.207 114.554 0.092 0.000 3.098 286 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 286 T C 1.772 176.550 174.700 0.131 0.000 1.145 286 T CA 0.727 62.880 62.100 0.090 0.000 1.092 286 T CB -0.437 68.477 68.868 0.076 0.000 0.908 286 T HN 0.400 nan 8.240 nan 0.000 0.526 287 A N 1.310 124.202 122.820 0.119 0.000 2.015 287 A HA -0.027 4.292 4.320 -0.000 0.000 0.219 287 A C 2.628 180.295 177.584 0.138 0.000 1.163 287 A CA 1.213 53.344 52.037 0.157 0.000 0.646 287 A CB -1.473 17.551 19.000 0.040 0.000 0.806 287 A HN 0.989 nan 8.150 nan 0.000 0.448 288 C N -1.726 117.589 119.300 0.025 0.000 2.485 288 C HA 0.404 4.864 4.460 -0.000 0.000 0.283 288 C C 2.319 177.297 174.990 -0.020 0.000 1.478 288 C CA 0.029 59.026 59.018 -0.035 0.000 1.741 288 C CB -1.796 25.918 27.740 -0.044 0.000 1.675 288 C HN 0.630 nan 8.230 nan 0.000 0.573 289 A N -0.647 122.143 122.820 -0.050 0.000 2.178 289 A HA 0.159 4.479 4.320 -0.000 0.000 0.211 289 A C 0.869 178.260 177.584 -0.322 0.000 1.157 289 A CA 0.196 52.114 52.037 -0.197 0.000 0.780 289 A CB -0.543 18.283 19.000 -0.289 0.000 0.828 289 A HN 0.840 nan 8.150 nan 0.000 0.476 290 H N 0.013 119.066 119.070 -0.028 0.000 2.487 290 H HA 0.172 4.728 4.556 -0.000 0.000 0.333 290 H C -1.638 173.669 175.328 -0.036 0.000 1.114 290 H CA -1.552 54.478 56.048 -0.030 0.000 1.310 290 H CB 1.147 30.890 29.762 -0.031 0.000 1.462 290 H HN 0.147 nan 8.280 nan 0.000 0.516 291 P HA -0.150 nan 4.420 nan 0.000 0.218 291 P C 0.811 178.119 177.300 0.013 0.000 1.149 291 P CA 1.184 64.297 63.100 0.022 0.000 0.817 291 P CB 0.379 32.088 31.700 0.015 0.000 0.785 292 N N -0.490 118.226 118.700 0.027 0.000 2.336 292 N HA 0.012 4.752 4.740 -0.000 0.000 0.189 292 N C 0.312 175.809 175.510 -0.022 0.000 1.113 292 N CA 0.153 53.199 53.050 -0.007 0.000 0.858 292 N CB -0.100 38.379 38.487 -0.013 0.000 0.970 292 N HN 0.108 nan 8.380 nan 0.000 0.471 293 I N 1.992 122.559 120.570 -0.005 0.000 2.331 293 I HA 0.292 4.462 4.170 -0.000 0.000 0.292 293 I C -0.029 176.052 176.117 -0.060 0.000 0.998 293 I CA -0.792 60.492 61.300 -0.028 0.000 1.267 293 I CB 1.391 39.391 38.000 -0.000 0.000 1.386 293 I HN -0.059 nan 8.210 nan 0.000 0.476 294 L N 8.699 129.873 121.223 -0.082 0.000 2.283 294 L HA 0.399 4.739 4.340 -0.000 0.000 0.281 294 L C -2.317 174.479 176.870 -0.123 0.000 1.033 294 L CA -1.561 53.198 54.840 -0.135 0.000 0.848 294 L CB 1.205 43.143 42.059 -0.201 0.000 1.226 294 L HN 0.322 nan 8.230 nan 0.000 0.429 295 P HA 0.276 nan 4.420 nan 0.000 0.296 295 P C -0.898 176.275 177.300 -0.212 0.000 1.306 295 P CA -0.344 62.605 63.100 -0.253 0.000 0.818 295 P CB 1.918 33.300 31.700 -0.531 0.000 0.969 296 S N 1.711 117.397 115.700 -0.022 0.000 2.634 296 S HA 0.738 5.208 4.470 -0.000 0.000 0.296 296 S C -0.404 174.340 174.600 0.240 0.000 1.104 296 S CA -0.676 57.628 58.200 0.173 0.000 0.920 296 S CB 1.246 64.697 63.200 0.418 0.000 1.111 296 S HN 0.310 nan 8.310 nan 0.000 0.493 297 S N 1.080 117.017 115.700 0.395 0.000 2.568 297 S HA 0.798 5.268 4.470 -0.000 0.000 0.302 297 S C -0.082 174.661 174.600 0.240 0.000 1.082 297 S CA -0.750 57.703 58.200 0.421 0.000 1.009 297 S CB 1.649 65.196 63.200 0.579 0.000 1.069 297 S HN 0.994 nan 8.310 nan 0.000 0.500 298 T N -0.022 114.640 114.554 0.181 0.000 2.927 298 T HA 0.326 4.676 4.350 -0.000 0.000 0.281 298 T C 0.889 175.615 174.700 0.044 0.000 0.998 298 T CA -0.811 61.313 62.100 0.040 0.000 1.019 298 T CB 0.514 69.367 68.868 -0.025 0.000 1.061 298 T HN 0.584 nan 8.240 nan 0.000 0.518 299 N N 0.099 118.789 118.700 -0.017 0.000 2.422 299 N HA 0.059 4.799 4.740 -0.000 0.000 0.181 299 N C -1.054 174.462 175.510 0.010 0.000 1.080 299 N CA -0.423 52.619 53.050 -0.013 0.000 0.893 299 N CB -1.177 37.279 38.487 -0.052 0.000 0.973 299 N HN 0.415 nan 8.380 nan 0.000 0.456 300 P HA -0.075 nan 4.420 nan 0.000 0.220 300 P C 0.773 178.184 177.300 0.185 0.000 1.148 300 P CA 1.441 64.597 63.100 0.094 0.000 0.803 300 P CB -0.240 31.494 31.700 0.058 0.000 0.782 301 T N -3.309 111.319 114.554 0.123 0.000 3.129 301 T HA 0.176 4.526 4.350 -0.000 0.000 0.251 301 T C 0.772 175.496 174.700 0.040 0.000 1.117 301 T CA -0.011 62.103 62.100 0.025 0.000 1.034 301 T CB -0.587 68.242 68.868 -0.065 0.000 0.968 301 T HN -0.011 nan 8.240 nan 0.000 0.526 302 L N 3.235 124.484 121.223 0.044 0.000 2.280 302 L HA 0.522 4.861 4.340 -0.000 0.000 0.287 302 L C -2.418 174.469 176.870 0.029 0.000 1.023 302 L CA -2.335 52.520 54.840 0.026 0.000 0.819 302 L CB 1.677 43.725 42.059 -0.019 0.000 1.212 302 L HN 0.004 nan 8.230 nan 0.000 0.420 303 P HA 0.123 nan 4.420 nan 0.000 0.292 303 P C -1.291 176.093 177.300 0.139 0.000 1.304 303 P CA -0.754 62.396 63.100 0.083 0.000 0.848 303 P CB 1.116 32.864 31.700 0.081 0.000 1.260 304 Y N 1.696 121.994 120.300 -0.002 0.000 2.677 304 Y HA 0.248 4.798 4.550 -0.000 0.000 0.335 304 Y C 0.358 176.260 175.900 0.004 0.000 1.162 304 Y CA 0.241 58.334 58.100 -0.010 0.000 1.483 304 Y CB -0.846 37.605 38.460 -0.015 0.000 1.209 304 Y HN 0.369 nan 8.280 nan 0.000 0.528 305 T N 2.561 117.113 114.554 -0.003 0.000 2.888 305 T HA 0.394 4.744 4.350 -0.000 0.000 0.288 305 T C 1.020 175.608 174.700 -0.186 0.000 1.063 305 T CA -0.880 61.138 62.100 -0.137 0.000 1.010 305 T CB 0.926 69.778 68.868 -0.026 0.000 1.214 305 T HN 0.578 nan 8.240 nan 0.000 0.533 306 L N 0.540 121.676 121.223 -0.146 0.000 2.191 306 L HA -0.020 4.320 4.340 -0.000 0.000 0.212 306 L C 2.062 178.916 176.870 -0.025 0.000 1.103 306 L CA 1.038 55.818 54.840 -0.102 0.000 0.769 306 L CB -0.382 41.633 42.059 -0.073 0.000 0.908 306 L HN 0.657 nan 8.230 nan 0.000 0.438 307 N N -1.482 117.219 118.700 0.002 0.000 2.280 307 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 307 N C 1.575 177.130 175.510 0.075 0.000 1.109 307 N CA 0.458 53.526 53.050 0.031 0.000 0.855 307 N CB 0.366 38.866 38.487 0.021 0.000 0.974 307 N HN 0.203 nan 8.380 nan 0.000 0.482 308 T N 2.195 116.812 114.554 0.106 0.000 2.607 308 T HA -0.098 4.252 4.350 -0.000 0.000 0.267 308 T C 1.973 176.788 174.700 0.191 0.000 1.049 308 T CA 0.837 63.040 62.100 0.171 0.000 1.162 308 T CB 0.049 69.024 68.868 0.178 0.000 0.863 308 T HN 0.098 nan 8.240 nan 0.000 0.424 309 I N 1.860 122.506 120.570 0.127 0.000 2.142 309 I HA -0.137 4.033 4.170 -0.000 0.000 0.240 309 I C 2.303 178.482 176.117 0.103 0.000 1.078 309 I CA 1.386 62.740 61.300 0.090 0.000 1.343 309 I CB -1.306 36.742 38.000 0.079 0.000 1.046 309 I HN 0.234 nan 8.210 nan 0.000 0.405 310 D N 0.629 121.078 120.400 0.082 0.000 2.116 310 D HA -0.258 4.382 4.640 -0.000 0.000 0.193 310 D C 2.070 178.402 176.300 0.053 0.000 0.998 310 D CA 1.566 55.600 54.000 0.056 0.000 0.836 310 D CB -0.199 40.625 40.800 0.039 0.000 0.951 310 D HN 0.521 nan 8.370 nan 0.000 0.449 311 E N 0.009 120.249 120.200 0.066 0.000 2.106 311 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 311 E C 1.802 178.390 176.600 -0.020 0.000 0.984 311 E CA 0.934 57.344 56.400 0.017 0.000 0.806 311 E CB -0.034 29.673 29.700 0.011 0.000 0.750 311 E HN 0.363 nan 8.360 nan 0.000 0.458 312 H N 0.435 119.490 119.070 -0.026 0.000 2.423 312 H HA 0.008 4.564 4.556 -0.000 0.000 0.297 312 H C 2.069 177.370 175.328 -0.046 0.000 1.075 312 H CA 1.434 57.457 56.048 -0.042 0.000 1.342 312 H CB -0.023 29.713 29.762 -0.043 0.000 1.395 312 H HN 0.150 nan 8.280 nan 0.000 0.530 313 L N -0.080 121.187 121.223 0.072 0.000 2.187 313 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 313 L C 1.624 178.497 176.870 0.004 0.000 1.100 313 L CA 1.214 56.072 54.840 0.030 0.000 0.765 313 L CB -0.146 41.931 42.059 0.032 0.000 0.904 313 L HN 0.379 nan 8.230 nan 0.000 0.437 314 D N -0.883 119.505 120.400 -0.020 0.000 2.394 314 D HA -0.050 4.590 4.640 -0.000 0.000 0.226 314 D C 2.160 178.415 176.300 -0.075 0.000 0.990 314 D CA 0.384 54.360 54.000 -0.039 0.000 0.902 314 D CB 0.323 41.098 40.800 -0.042 0.000 1.038 314 D HN 0.219 nan 8.370 nan 0.000 0.499 315 M N 0.653 120.183 119.600 -0.117 0.000 2.159 315 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 315 M C 0.530 176.742 176.300 -0.147 0.000 1.063 315 M CA 0.818 56.015 55.300 -0.172 0.000 1.110 315 M CB 0.125 32.558 32.600 -0.277 0.000 1.374 315 M HN -0.099 nan 8.290 nan 0.000 0.411 316 L N 2.090 123.258 121.223 -0.091 0.000 2.395 316 L HA 0.109 4.449 4.340 -0.000 0.000 0.268 316 L C -0.148 176.726 176.870 0.007 0.000 1.223 316 L CA 0.256 55.077 54.840 -0.032 0.000 1.093 316 L CB 0.114 42.164 42.059 -0.015 0.000 1.349 316 L HN 0.401 nan 8.230 nan 0.000 0.427 317 M N 1.151 120.734 119.600 -0.029 0.000 1.441 317 M HA -0.001 4.479 4.480 -0.000 0.000 0.167 317 M C 1.349 177.591 176.300 -0.097 0.000 1.137 317 M CA 0.662 55.955 55.300 -0.011 0.000 0.671 317 M CB -0.330 32.260 32.600 -0.018 0.000 1.646 317 M HN 0.071 nan 8.290 nan 0.000 0.633 318 V N 0.919 120.738 119.914 -0.158 0.000 2.469 318 V HA -0.283 3.836 4.120 -0.000 0.000 0.251 318 V C 2.474 178.330 176.094 -0.397 0.000 1.064 318 V CA 2.286 64.436 62.300 -0.249 0.000 1.066 318 V CB -0.938 30.751 31.823 -0.223 0.000 0.667 318 V HN 0.753 nan 8.190 nan 0.000 0.461 319 C N 0.556 119.627 119.300 -0.382 0.000 2.548 319 C HA -0.162 4.298 4.460 -0.000 0.000 0.284 319 C C 2.590 177.233 174.990 -0.578 0.000 1.252 319 C CA 1.103 59.809 59.018 -0.520 0.000 1.725 319 C CB -1.176 26.206 27.740 -0.597 0.000 2.098 319 C HN 0.672 nan 8.230 nan 0.000 0.471 320 H N -0.491 118.498 119.070 -0.136 0.000 2.547 320 H HA 0.111 4.667 4.556 -0.000 0.000 0.274 320 H C 0.059 175.415 175.328 0.045 0.000 1.024 320 H CA 1.091 57.136 56.048 -0.005 0.000 1.155 320 H CB -0.915 28.909 29.762 0.103 0.000 1.344 320 H HN 0.779 nan 8.280 nan 0.000 0.598 321 H N -1.044 118.046 119.070 0.035 0.000 2.819 321 H HA -0.131 4.425 4.556 -0.000 0.000 0.315 321 H C -0.360 174.985 175.328 0.027 0.000 1.242 321 H CA 0.198 56.253 56.048 0.010 0.000 1.157 321 H CB -2.304 27.454 29.762 -0.007 0.000 1.451 321 H HN 0.291 nan 8.280 nan 0.000 0.430 322 L N 0.125 121.397 121.223 0.082 0.000 2.343 322 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 322 L C 0.638 177.536 176.870 0.047 0.000 1.056 322 L CA -0.709 54.180 54.840 0.082 0.000 0.804 322 L CB 1.095 43.239 42.059 0.142 0.000 1.203 322 L HN 0.180 nan 8.230 nan 0.000 0.440 323 D N 3.103 123.522 120.400 0.032 0.000 2.373 323 D HA 0.225 4.865 4.640 -0.000 0.000 0.227 323 D C -1.623 174.691 176.300 0.022 0.000 1.091 323 D CA -2.076 51.935 54.000 0.019 0.000 0.840 323 D CB 1.696 42.501 40.800 0.008 0.000 1.060 323 D HN 0.180 nan 8.370 nan 0.000 0.502 324 P HA -0.072 nan 4.420 nan 0.000 0.225 324 P C 0.251 177.563 177.300 0.021 0.000 1.148 324 P CA 0.628 63.745 63.100 0.029 0.000 0.779 324 P CB 0.650 32.362 31.700 0.020 0.000 0.780 325 D N -0.302 120.106 120.400 0.013 0.000 2.333 325 D HA 0.109 4.749 4.640 -0.000 0.000 0.208 325 D C 0.971 177.274 176.300 0.005 0.000 0.984 325 D CA 0.326 54.331 54.000 0.008 0.000 0.873 325 D CB 0.306 41.109 40.800 0.005 0.000 0.935 325 D HN 0.293 nan 8.370 nan 0.000 0.521 326 I N 1.312 121.883 120.570 0.001 0.000 2.304 326 I HA 0.143 4.313 4.170 -0.000 0.000 0.291 326 I C 1.524 177.634 176.117 -0.012 0.000 1.018 326 I CA -0.598 60.696 61.300 -0.011 0.000 1.260 326 I CB 1.888 39.872 38.000 -0.026 0.000 1.390 326 I HN -0.176 nan 8.210 nan 0.000 0.475 327 A N 5.411 128.227 122.820 -0.008 0.000 1.884 327 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 327 A C 1.980 179.554 177.584 -0.018 0.000 1.197 327 A CA 1.901 53.938 52.037 0.000 0.000 0.637 327 A CB -0.425 18.576 19.000 0.002 0.000 0.827 327 A HN 0.778 nan 8.150 nan 0.000 0.450 328 E N 0.137 120.302 120.200 -0.058 0.000 2.209 328 E HA -0.138 4.212 4.350 -0.000 0.000 0.196 328 E C 1.284 177.725 176.600 -0.266 0.000 0.993 328 E CA 1.300 57.622 56.400 -0.130 0.000 0.819 328 E CB -0.251 29.369 29.700 -0.134 0.000 0.745 328 E HN 0.611 nan 8.360 nan 0.000 0.477 329 D N -1.160 119.132 120.400 -0.180 0.000 2.317 329 D HA -0.059 4.581 4.640 -0.000 0.000 0.211 329 D C 1.631 177.952 176.300 0.035 0.000 0.966 329 D CA 0.825 54.712 54.000 -0.190 0.000 0.876 329 D CB 0.470 41.230 40.800 -0.067 0.000 0.927 329 D HN 0.269 nan 8.370 nan 0.000 0.519 330 V N -2.837 117.132 119.914 0.093 0.000 3.219 330 V HA 0.384 4.504 4.120 -0.000 0.000 0.240 330 V C 2.169 178.416 176.094 0.253 0.000 1.222 330 V CA 0.464 62.887 62.300 0.204 0.000 1.181 330 V CB -0.348 31.541 31.823 0.109 0.000 0.941 330 V HN 0.001 nan 8.190 nan 0.000 0.471 331 A N 1.748 124.673 122.820 0.176 0.000 2.032 331 A HA -0.156 4.164 4.320 -0.000 0.000 0.221 331 A C 2.044 179.787 177.584 0.264 0.000 1.165 331 A CA 2.186 54.323 52.037 0.166 0.000 0.645 331 A CB -1.052 18.009 19.000 0.101 0.000 0.807 331 A HN 0.990 nan 8.150 nan 0.000 0.453 332 F N -1.846 118.121 119.950 0.028 0.000 2.780 332 F HA 0.396 4.923 4.527 -0.000 0.000 0.299 332 F C 2.015 177.826 175.800 0.019 0.000 1.146 332 F CA 0.327 58.343 58.000 0.026 0.000 1.428 332 F CB -0.213 38.798 39.000 0.019 0.000 1.115 332 F HN 0.187 nan 8.300 nan 0.000 0.583 333 A N 1.638 124.496 122.820 0.063 0.000 1.892 333 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 333 A C 2.122 179.640 177.584 -0.109 0.000 1.188 333 A CA 2.047 53.995 52.037 -0.148 0.000 0.631 333 A CB -0.877 18.129 19.000 0.010 0.000 0.822 333 A HN 0.595 nan 8.150 nan 0.000 0.447 334 E N -0.051 120.148 120.200 -0.003 0.000 2.338 334 E HA -0.105 4.245 4.350 -0.000 0.000 0.197 334 E C 2.082 178.686 176.600 0.007 0.000 1.007 334 E CA 1.019 57.432 56.400 0.023 0.000 0.849 334 E CB -0.089 29.657 29.700 0.077 0.000 0.774 334 E HN 0.825 nan 8.360 nan 0.000 0.506 335 S N -0.082 115.597 115.700 -0.036 0.000 2.503 335 S HA 0.027 4.497 4.470 -0.000 0.000 0.217 335 S C 1.835 176.287 174.600 -0.246 0.000 0.999 335 S CA 0.043 58.184 58.200 -0.099 0.000 0.914 335 S CB 0.304 63.516 63.200 0.020 0.000 0.782 335 S HN 0.073 nan 8.310 nan 0.000 0.520 336 R N 0.285 120.618 120.500 -0.278 0.000 2.175 336 R HA 0.427 4.767 4.340 -0.000 0.000 0.202 336 R C -0.168 175.989 176.300 -0.239 0.000 1.018 336 R CA 0.259 56.175 56.100 -0.308 0.000 1.029 336 R CB 0.185 30.207 30.300 -0.463 0.000 0.959 336 R HN 0.380 nan 8.270 nan 0.000 0.480 337 I N 2.562 123.017 120.570 -0.192 0.000 2.306 337 I HA 0.276 4.446 4.170 -0.000 0.000 0.288 337 I C -0.738 175.301 176.117 -0.130 0.000 1.036 337 I CA -0.371 60.840 61.300 -0.148 0.000 1.221 337 I CB 1.390 39.340 38.000 -0.083 0.000 1.385 337 I HN 0.021 nan 8.210 nan 0.000 0.472 338 R N 4.926 125.330 120.500 -0.161 0.000 2.513 338 R HA 0.400 4.740 4.340 -0.000 0.000 0.301 338 R C 0.864 177.084 176.300 -0.133 0.000 0.968 338 R CA -0.803 55.229 56.100 -0.113 0.000 0.872 338 R CB 2.159 32.350 30.300 -0.182 0.000 1.177 338 R HN 0.476 nan 8.270 nan 0.000 0.444 339 R N 1.777 122.225 120.500 -0.087 0.000 2.105 339 R HA -0.203 4.137 4.340 -0.000 0.000 0.239 339 R C 0.668 176.832 176.300 -0.225 0.000 1.135 339 R CA 1.878 57.878 56.100 -0.167 0.000 0.967 339 R CB 0.254 30.536 30.300 -0.029 0.000 0.861 339 R HN 0.588 nan 8.270 nan 0.000 0.442 340 E N -0.548 119.600 120.200 -0.086 0.000 2.038 340 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 340 E C 1.996 178.531 176.600 -0.109 0.000 1.000 340 E CA 2.374 58.739 56.400 -0.059 0.000 0.803 340 E CB -0.281 29.451 29.700 0.053 0.000 0.750 340 E HN 0.566 nan 8.360 nan 0.000 0.448 341 T N -1.392 113.093 114.554 -0.116 0.000 2.985 341 T HA 0.032 4.382 4.350 -0.000 0.000 0.266 341 T C 1.989 176.576 174.700 -0.188 0.000 1.076 341 T CA 0.515 62.541 62.100 -0.123 0.000 1.135 341 T CB -0.259 68.550 68.868 -0.098 0.000 0.890 341 T HN 0.034 nan 8.240 nan 0.000 0.480 342 I N 1.674 122.083 120.570 -0.269 0.000 2.315 342 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 342 I C 3.105 178.965 176.117 -0.427 0.000 1.117 342 I CA 1.140 62.233 61.300 -0.346 0.000 1.404 342 I CB -0.426 37.313 38.000 -0.434 0.000 1.071 342 I HN 0.342 nan 8.210 nan 0.000 0.419 343 A N 0.518 123.009 122.820 -0.548 0.000 1.929 343 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 343 A C 2.506 179.998 177.584 -0.152 0.000 1.176 343 A CA 1.454 53.253 52.037 -0.397 0.000 0.628 343 A CB -0.619 18.190 19.000 -0.318 0.000 0.816 343 A HN 0.399 nan 8.150 nan 0.000 0.444 344 A N -0.113 122.613 122.820 -0.156 0.000 1.930 344 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 344 A C 1.982 179.457 177.584 -0.181 0.000 1.175 344 A CA 1.655 53.620 52.037 -0.120 0.000 0.627 344 A CB -0.541 18.400 19.000 -0.098 0.000 0.815 344 A HN 0.667 nan 8.150 nan 0.000 0.443 345 E N 0.010 120.060 120.200 -0.251 0.000 2.130 345 E HA -0.296 4.054 4.350 -0.000 0.000 0.196 345 E C 1.176 177.619 176.600 -0.262 0.000 0.998 345 E CA 1.661 57.803 56.400 -0.430 0.000 0.806 345 E CB -0.192 29.309 29.700 -0.330 0.000 0.738 345 E HN 0.536 nan 8.360 nan 0.000 0.459 346 D N -0.135 120.217 120.400 -0.080 0.000 2.117 346 D HA -0.133 4.506 4.640 -0.000 0.000 0.197 346 D C 2.038 178.373 176.300 0.059 0.000 0.987 346 D CA 1.142 55.169 54.000 0.045 0.000 0.829 346 D CB -0.153 40.693 40.800 0.076 0.000 0.961 346 D HN 0.121 nan 8.370 nan 0.000 0.460 347 V N 0.871 120.787 119.914 0.002 0.000 2.358 347 V HA -0.172 3.948 4.120 -0.000 0.000 0.246 347 V C 2.577 178.663 176.094 -0.014 0.000 1.047 347 V CA 0.952 63.263 62.300 0.018 0.000 1.035 347 V CB -0.428 31.398 31.823 0.005 0.000 0.658 347 V HN 0.215 nan 8.190 nan 0.000 0.452 348 L N -0.785 120.364 121.223 -0.124 0.000 2.127 348 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 348 L C 2.453 179.231 176.870 -0.153 0.000 1.089 348 L CA 1.726 56.465 54.840 -0.168 0.000 0.757 348 L CB -0.689 41.156 42.059 -0.358 0.000 0.899 348 L HN 0.429 nan 8.230 nan 0.000 0.434 349 H N -1.118 117.868 119.070 -0.140 0.000 2.363 349 H HA -0.165 4.391 4.556 -0.000 0.000 0.301 349 H C 1.929 177.158 175.328 -0.164 0.000 1.074 349 H CA 1.509 57.483 56.048 -0.123 0.000 1.354 349 H CB 0.186 29.884 29.762 -0.105 0.000 1.397 349 H HN 0.187 nan 8.280 nan 0.000 0.516 350 D N -0.084 120.391 120.400 0.126 0.000 2.178 350 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 350 D C 1.590 177.956 176.300 0.110 0.000 0.980 350 D CA 0.718 54.830 54.000 0.186 0.000 0.842 350 D CB 0.041 40.981 40.800 0.234 0.000 0.948 350 D HN 0.324 nan 8.370 nan 0.000 0.472 351 L N -1.480 119.782 121.223 0.066 0.000 2.509 351 L HA 0.236 4.576 4.340 -0.000 0.000 0.222 351 L C 1.572 178.477 176.870 0.060 0.000 1.123 351 L CA 0.498 55.378 54.840 0.068 0.000 0.856 351 L CB 0.021 42.108 42.059 0.046 0.000 0.985 351 L HN 0.218 nan 8.230 nan 0.000 0.456 352 G N -0.364 108.448 108.800 0.020 0.000 2.132 352 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.234 352 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.234 352 G C 0.871 175.785 174.900 0.023 0.000 0.989 352 G CA 0.359 45.469 45.100 0.017 0.000 0.676 352 G HN 0.393 nan 8.290 nan 0.000 0.522 353 A N -0.911 121.931 122.820 0.037 0.000 1.975 353 A HA 0.634 4.954 4.320 -0.000 0.000 0.215 353 A C 0.682 178.342 177.584 0.127 0.000 1.170 353 A CA 0.806 52.891 52.037 0.081 0.000 0.656 353 A CB 0.054 19.123 19.000 0.115 0.000 0.821 353 A HN 0.595 nan 8.150 nan 0.000 0.449 354 F N 0.033 119.821 119.950 -0.271 0.000 2.415 354 F HA 0.419 4.946 4.527 -0.000 0.000 0.348 354 F C 1.169 176.814 175.800 -0.259 0.000 1.119 354 F CA -0.783 56.990 58.000 -0.379 0.000 1.069 354 F CB 1.933 40.370 39.000 -0.938 0.000 1.124 354 F HN -0.019 nan 8.300 nan 0.000 0.472 355 S N 2.571 118.250 115.700 -0.034 0.000 2.511 355 S HA 0.329 4.798 4.470 -0.000 0.000 0.214 355 S C -0.187 174.437 174.600 0.039 0.000 0.997 355 S CA 0.051 58.245 58.200 -0.011 0.000 0.908 355 S CB 0.256 63.419 63.200 -0.063 0.000 0.803 355 S HN 0.251 nan 8.310 nan 0.000 0.504 356 L N 1.392 122.684 121.223 0.115 0.000 2.393 356 L HA 0.562 4.902 4.340 -0.000 0.000 0.260 356 L C -0.130 176.905 176.870 0.274 0.000 1.002 356 L CA -0.360 54.570 54.840 0.150 0.000 0.818 356 L CB 1.973 44.082 42.059 0.084 0.000 1.369 356 L HN 0.031 nan 8.230 nan 0.000 0.412 357 T N -1.884 112.792 114.554 0.203 0.000 2.908 357 T HA 0.963 5.313 4.350 -0.000 0.000 0.290 357 T C -0.353 174.426 174.700 0.131 0.000 1.034 357 T CA -0.551 61.642 62.100 0.155 0.000 1.010 357 T CB 1.867 70.762 68.868 0.046 0.000 1.068 357 T HN 0.758 nan 8.240 nan 0.000 0.481 358 S N 0.254 116.004 115.700 0.082 0.000 2.672 358 S HA 0.654 5.123 4.470 -0.000 0.000 0.271 358 S C 0.837 175.411 174.600 -0.044 0.000 1.171 358 S CA -0.129 58.094 58.200 0.037 0.000 0.817 358 S CB 1.108 64.349 63.200 0.068 0.000 1.150 358 S HN 1.103 nan 8.310 nan 0.000 0.478 359 S N 0.126 115.769 115.700 -0.095 0.000 2.431 359 S HA 0.280 4.750 4.470 -0.000 0.000 0.210 359 S C 0.305 174.759 174.600 -0.244 0.000 1.013 359 S CA 1.187 59.302 58.200 -0.141 0.000 0.920 359 S CB -0.736 62.390 63.200 -0.125 0.000 0.882 359 S HN 1.279 nan 8.310 nan 0.000 0.567 360 D N 1.408 121.600 120.400 -0.346 0.000 2.892 360 D HA -0.125 4.515 4.640 -0.000 0.000 0.224 360 D C -0.407 175.752 176.300 -0.234 0.000 1.057 360 D CA 0.696 54.390 54.000 -0.510 0.000 0.779 360 D CB -1.934 38.502 40.800 -0.606 0.000 1.069 360 D HN 0.675 nan 8.370 nan 0.000 0.441 361 S N 0.747 116.365 115.700 -0.137 0.000 3.074 361 S HA -0.044 4.426 4.470 -0.000 0.000 0.359 361 S C 1.036 175.545 174.600 -0.152 0.000 1.207 361 S CA 1.111 59.234 58.200 -0.128 0.000 1.061 361 S CB 0.733 63.861 63.200 -0.120 0.000 0.769 361 S HN 0.445 nan 8.310 nan 0.000 0.512 362 Q N 0.140 119.843 119.800 -0.161 0.000 2.461 362 Q HA -0.283 4.057 4.340 -0.000 0.000 0.264 362 Q C 0.294 176.140 176.000 -0.258 0.000 1.085 362 Q CA 1.023 56.726 55.803 -0.166 0.000 1.006 362 Q CB -2.083 26.604 28.738 -0.084 0.000 1.437 362 Q HN 1.262 nan 8.270 nan 0.000 0.514 363 A N 0.145 122.745 122.820 -0.366 0.000 3.415 363 A HA 0.562 4.882 4.320 -0.000 0.000 0.244 363 A C 0.355 177.725 177.584 -0.358 0.000 0.988 363 A CA 0.110 51.861 52.037 -0.476 0.000 0.991 363 A CB 0.417 18.855 19.000 -0.937 0.000 1.240 363 A HN 0.348 nan 8.150 nan 0.000 0.541 364 M N -1.260 118.171 119.600 -0.282 0.000 2.665 364 M HA -0.143 4.337 4.480 -0.000 0.000 0.217 364 M C 0.204 176.388 176.300 -0.194 0.000 0.487 364 M CA 1.001 56.166 55.300 -0.225 0.000 0.657 364 M CB -1.494 31.005 32.600 -0.168 0.000 2.412 364 M HN 1.316 nan 8.290 nan 0.000 0.767 365 G N 0.522 109.202 108.800 -0.199 0.000 2.556 365 G HA2 0.656 4.616 3.960 -0.000 0.000 0.294 365 G HA3 0.656 4.616 3.960 -0.000 0.000 0.294 365 G C -1.387 173.421 174.900 -0.154 0.000 1.516 365 G CA -1.165 43.833 45.100 -0.171 0.000 0.824 365 G HN 0.258 nan 8.290 nan 0.000 0.535 366 R N 1.755 122.177 120.500 -0.130 0.000 2.239 366 R HA 0.380 4.720 4.340 -0.000 0.000 0.332 366 R C 1.061 177.295 176.300 -0.109 0.000 0.988 366 R CA -0.711 55.317 56.100 -0.119 0.000 0.859 366 R CB 1.982 32.213 30.300 -0.116 0.000 1.148 366 R HN 0.316 nan 8.270 nan 0.000 0.482 367 V N 2.838 122.690 119.914 -0.103 0.000 2.453 367 V HA -0.181 3.939 4.120 -0.000 0.000 0.252 367 V C 1.541 177.588 176.094 -0.077 0.000 1.068 367 V CA 2.577 64.822 62.300 -0.092 0.000 1.070 367 V CB -0.111 31.663 31.823 -0.082 0.000 0.664 367 V HN 1.005 nan 8.190 nan 0.000 0.461 368 G N -1.448 107.306 108.800 -0.076 0.000 3.284 368 G HA2 0.104 4.064 3.960 -0.000 0.000 0.236 368 G HA3 0.104 4.064 3.960 -0.000 0.000 0.236 368 G C 0.769 175.628 174.900 -0.068 0.000 1.158 368 G CA 0.107 45.169 45.100 -0.063 0.000 0.774 368 G HN 0.619 nan 8.290 nan 0.000 0.545 369 E N -0.046 120.101 120.200 -0.088 0.000 2.693 369 E HA 0.139 4.489 4.350 -0.000 0.000 0.214 369 E C 1.477 178.011 176.600 -0.110 0.000 0.990 369 E CA -0.224 56.120 56.400 -0.093 0.000 1.047 369 E CB 1.097 30.734 29.700 -0.105 0.000 1.039 369 E HN 0.191 nan 8.360 nan 0.000 0.475 370 V N 0.837 120.674 119.914 -0.130 0.000 2.307 370 V HA -0.255 3.865 4.120 -0.000 0.000 0.245 370 V C 2.148 178.062 176.094 -0.300 0.000 1.045 370 V CA 1.575 63.773 62.300 -0.169 0.000 1.024 370 V CB -0.272 31.465 31.823 -0.143 0.000 0.651 370 V HN 0.354 nan 8.190 nan 0.000 0.449 371 I N -0.495 119.842 120.570 -0.388 0.000 2.193 371 I HA -0.228 3.942 4.170 -0.000 0.000 0.240 371 I C 2.448 178.429 176.117 -0.227 0.000 1.084 371 I CA 1.508 62.455 61.300 -0.589 0.000 1.365 371 I CB -0.363 37.369 38.000 -0.446 0.000 1.064 371 I HN 0.270 nan 8.210 nan 0.000 0.410 372 L N 0.977 122.142 121.223 -0.096 0.000 1.997 372 L HA -0.300 4.040 4.340 -0.000 0.000 0.216 372 L C 2.855 179.725 176.870 -0.000 0.000 1.074 372 L CA 1.843 56.683 54.840 -0.001 0.000 0.763 372 L CB -0.280 41.779 42.059 0.001 0.000 0.890 372 L HN 0.145 nan 8.230 nan 0.000 0.434 373 R N -1.280 119.183 120.500 -0.061 0.000 2.092 373 R HA -0.113 4.227 4.340 -0.000 0.000 0.231 373 R C 2.122 178.372 176.300 -0.084 0.000 1.119 373 R CA 1.729 57.796 56.100 -0.054 0.000 0.970 373 R CB -0.515 29.748 30.300 -0.061 0.000 0.864 373 R HN 0.431 nan 8.270 nan 0.000 0.440 374 T N -0.155 114.293 114.554 -0.176 0.000 2.720 374 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 374 T C 1.234 175.765 174.700 -0.281 0.000 1.037 374 T CA 1.410 63.365 62.100 -0.240 0.000 1.144 374 T CB -0.219 68.450 68.868 -0.331 0.000 0.864 374 T HN 0.449 nan 8.240 nan 0.000 0.444 375 W N 1.406 122.704 121.300 -0.003 0.000 2.436 375 W HA 0.027 4.687 4.660 -0.000 0.000 0.284 375 W C 2.651 179.127 176.519 -0.071 0.000 1.225 375 W CA 0.017 57.333 57.345 -0.048 0.000 1.271 375 W CB -0.230 29.223 29.460 -0.013 0.000 1.114 375 W HN 0.295 nan 8.180 nan 0.000 0.559 376 Q N 0.022 119.897 119.800 0.125 0.000 2.124 376 Q HA -0.178 4.162 4.340 -0.000 0.000 0.202 376 Q C 2.123 178.174 176.000 0.086 0.000 0.977 376 Q CA 1.695 57.548 55.803 0.085 0.000 0.850 376 Q CB -0.471 28.291 28.738 0.041 0.000 0.901 376 Q HN 0.188 nan 8.270 nan 0.000 0.429 377 V N 0.840 120.767 119.914 0.022 0.000 2.307 377 V HA -0.282 3.838 4.120 -0.000 0.000 0.245 377 V C 2.283 178.335 176.094 -0.069 0.000 1.045 377 V CA 1.808 64.124 62.300 0.026 0.000 1.024 377 V CB -1.039 30.823 31.823 0.065 0.000 0.651 377 V HN 0.400 nan 8.190 nan 0.000 0.449 378 A N -0.165 122.429 122.820 -0.376 0.000 1.883 378 A HA -0.344 3.976 4.320 -0.000 0.000 0.217 378 A C 2.111 179.603 177.584 -0.153 0.000 1.186 378 A CA 2.591 54.236 52.037 -0.653 0.000 0.624 378 A CB -0.946 17.538 19.000 -0.861 0.000 0.822 378 A HN 0.810 nan 8.150 nan 0.000 0.444 379 H N -0.670 118.349 119.070 -0.085 0.000 2.290 379 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 379 H C 2.246 177.570 175.328 -0.007 0.000 1.087 379 H CA 2.030 58.066 56.048 -0.020 0.000 1.291 379 H CB -0.029 29.737 29.762 0.006 0.000 1.369 379 H HN 0.240 nan 8.280 nan 0.000 0.492 380 R N -0.227 120.310 120.500 0.062 0.000 2.127 380 R HA -0.100 4.240 4.340 -0.000 0.000 0.238 380 R C 2.206 178.490 176.300 -0.026 0.000 1.134 380 R CA 1.256 57.366 56.100 0.018 0.000 0.975 380 R CB -0.316 30.046 30.300 0.104 0.000 0.865 380 R HN 0.488 nan 8.270 nan 0.000 0.447 381 M N 0.251 119.848 119.600 -0.004 0.000 2.236 381 M HA -0.066 4.414 4.480 -0.000 0.000 0.266 381 M C 2.111 178.409 176.300 -0.002 0.000 1.070 381 M CA 1.151 56.468 55.300 0.029 0.000 1.137 381 M CB -0.642 32.018 32.600 0.100 0.000 1.378 381 M HN 0.047 nan 8.290 nan 0.000 0.426 382 K N 0.502 120.874 120.400 -0.048 0.000 2.026 382 K HA -0.113 4.207 4.320 -0.000 0.000 0.208 382 K C 1.857 178.415 176.600 -0.071 0.000 1.048 382 K CA 1.348 57.609 56.287 -0.042 0.000 0.929 382 K CB -0.013 32.455 32.500 -0.053 0.000 0.713 382 K HN 0.064 nan 8.250 nan 0.000 0.439 383 V N 1.651 121.471 119.914 -0.158 0.000 2.332 383 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 383 V C 2.339 178.397 176.094 -0.059 0.000 1.055 383 V CA 2.063 64.279 62.300 -0.140 0.000 1.038 383 V CB -0.453 31.230 31.823 -0.233 0.000 0.651 383 V HN 0.462 nan 8.190 nan 0.000 0.450 384 Q N -0.848 118.930 119.800 -0.037 0.000 2.163 384 Q HA 0.015 4.355 4.340 -0.000 0.000 0.198 384 Q C 2.166 178.171 176.000 0.008 0.000 0.954 384 Q CA 0.873 56.673 55.803 -0.005 0.000 0.851 384 Q CB 0.076 28.821 28.738 0.013 0.000 0.928 384 Q HN 0.600 nan 8.270 nan 0.000 0.459 385 R N -0.557 119.952 120.500 0.015 0.000 2.373 385 R HA 0.279 4.619 4.340 -0.000 0.000 0.221 385 R C 0.707 177.024 176.300 0.028 0.000 0.893 385 R CA 0.432 56.549 56.100 0.027 0.000 1.049 385 R CB 1.211 31.537 30.300 0.044 0.000 1.119 385 R HN 0.191 nan 8.270 nan 0.000 0.535 386 G N 1.666 110.478 108.800 0.021 0.000 2.584 386 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.229 386 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.229 386 G C -0.318 174.609 174.900 0.044 0.000 1.320 386 G CA -0.435 44.679 45.100 0.024 0.000 0.891 386 G HN 0.418 nan 8.290 nan 0.000 0.573 387 A N -0.489 122.358 122.820 0.044 0.000 2.445 387 A HA 0.616 4.936 4.320 -0.000 0.000 0.242 387 A C 0.904 178.533 177.584 0.075 0.000 1.075 387 A CA 0.248 52.322 52.037 0.062 0.000 0.777 387 A CB 0.078 19.105 19.000 0.046 0.000 1.013 387 A HN 1.207 nan 8.150 nan 0.000 0.493 388 L N 1.391 122.681 121.223 0.113 0.000 2.453 388 L HA 0.271 4.611 4.340 -0.000 0.000 0.261 388 L C 1.844 178.747 176.870 0.055 0.000 1.179 388 L CA -0.017 54.897 54.840 0.123 0.000 0.813 388 L CB 0.776 42.980 42.059 0.241 0.000 1.110 388 L HN 0.901 nan 8.230 nan 0.000 0.466 389 A N 1.290 124.125 122.820 0.026 0.000 2.024 389 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 389 A C 1.827 179.357 177.584 -0.090 0.000 1.164 389 A CA 1.553 53.577 52.037 -0.022 0.000 0.643 389 A CB -0.402 18.587 19.000 -0.020 0.000 0.806 389 A HN 0.877 nan 8.150 nan 0.000 0.451 390 E N 0.490 120.583 120.200 -0.179 0.000 2.435 390 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 390 E C 0.310 176.727 176.600 -0.305 0.000 1.029 390 E CA 0.054 56.196 56.400 -0.430 0.000 0.865 390 E CB 0.091 29.081 29.700 -1.183 0.000 0.833 390 E HN 0.509 nan 8.360 nan 0.000 0.510 391 E N 0.687 120.839 120.200 -0.080 0.000 2.418 391 E HA 0.091 4.441 4.350 -0.000 0.000 0.261 391 E C -0.114 176.481 176.600 -0.007 0.000 1.070 391 E CA 0.463 56.876 56.400 0.023 0.000 0.931 391 E CB 1.258 31.007 29.700 0.082 0.000 0.954 391 E HN -0.069 nan 8.360 nan 0.000 0.439 392 T N 0.173 114.739 114.554 0.020 0.000 2.912 392 T HA 0.576 4.926 4.350 -0.000 0.000 0.299 392 T C -0.267 174.448 174.700 0.024 0.000 1.052 392 T CA 0.458 62.563 62.100 0.010 0.000 0.996 392 T CB 1.118 69.989 68.868 0.004 0.000 1.070 392 T HN 0.724 nan 8.240 nan 0.000 0.465 393 G N 3.245 112.053 108.800 0.013 0.000 2.829 393 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.628 393 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.628 393 G C -0.545 174.360 174.900 0.007 0.000 1.412 393 G CA -0.078 45.029 45.100 0.011 0.000 0.864 393 G HN 0.877 nan 8.290 nan 0.000 0.544 394 D N 1.487 121.883 120.400 -0.007 0.000 2.767 394 D HA 0.401 5.041 4.640 -0.000 0.000 0.241 394 D C 0.775 177.065 176.300 -0.017 0.000 1.187 394 D CA 0.387 54.371 54.000 -0.025 0.000 0.999 394 D CB -0.480 40.285 40.800 -0.058 0.000 1.042 394 D HN 0.699 nan 8.370 nan 0.000 0.510 395 N N -0.767 117.949 118.700 0.025 0.000 3.106 395 N HA 0.191 4.931 4.740 -0.000 0.000 0.253 395 N C -0.946 174.617 175.510 0.089 0.000 1.506 395 N CA -0.711 52.378 53.050 0.066 0.000 0.876 395 N CB 1.193 39.720 38.487 0.067 0.000 1.452 395 N HN -0.179 nan 8.380 nan 0.000 0.542 396 D N -0.222 120.244 120.400 0.109 0.000 2.559 396 D HA 0.123 4.763 4.640 -0.000 0.000 0.234 396 D C 0.276 176.635 176.300 0.099 0.000 1.226 396 D CA -0.234 53.832 54.000 0.110 0.000 0.830 396 D CB -0.031 40.833 40.800 0.106 0.000 1.028 396 D HN 0.365 nan 8.370 nan 0.000 0.492 397 N N 0.834 119.588 118.700 0.090 0.000 2.037 397 N HA -0.206 4.534 4.740 -0.000 0.000 0.196 397 N C 1.403 176.965 175.510 0.086 0.000 1.034 397 N CA 0.904 53.997 53.050 0.071 0.000 0.861 397 N CB -0.450 38.080 38.487 0.072 0.000 1.039 397 N HN 0.278 nan 8.380 nan 0.000 0.427 398 F N 1.466 121.424 119.950 0.013 0.000 2.102 398 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 398 F C 2.562 178.383 175.800 0.036 0.000 1.105 398 F CA 1.218 59.205 58.000 -0.022 0.000 1.239 398 F CB -0.090 38.888 39.000 -0.035 0.000 0.991 398 F HN -0.069 nan 8.300 nan 0.000 0.474 399 R N 0.022 120.563 120.500 0.067 0.000 2.105 399 R HA -0.149 4.191 4.340 -0.000 0.000 0.239 399 R C 1.976 178.378 176.300 0.170 0.000 1.135 399 R CA 1.845 58.017 56.100 0.119 0.000 0.967 399 R CB -0.551 29.864 30.300 0.192 0.000 0.861 399 R HN 0.306 nan 8.270 nan 0.000 0.442 400 V N 1.170 121.171 119.914 0.146 0.000 2.358 400 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 400 V C 2.112 178.344 176.094 0.231 0.000 1.047 400 V CA 1.981 64.460 62.300 0.299 0.000 1.035 400 V CB -0.366 31.522 31.823 0.109 0.000 0.658 400 V HN 0.371 nan 8.190 nan 0.000 0.452 401 K N -0.021 120.366 120.400 -0.022 0.000 2.097 401 K HA -0.177 4.143 4.320 -0.000 0.000 0.205 401 K C 2.350 178.914 176.600 -0.061 0.000 1.050 401 K CA 1.468 57.723 56.287 -0.053 0.000 0.938 401 K CB -0.253 32.138 32.500 -0.182 0.000 0.718 401 K HN 0.359 nan 8.250 nan 0.000 0.442 402 R N 0.159 120.455 120.500 -0.341 0.000 2.081 402 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 402 R C 1.641 177.853 176.300 -0.146 0.000 1.131 402 R CA 1.547 57.485 56.100 -0.270 0.000 0.960 402 R CB -0.208 29.825 30.300 -0.446 0.000 0.856 402 R HN 0.194 nan 8.270 nan 0.000 0.436 403 Y N 0.116 120.323 120.300 -0.155 0.000 2.365 403 Y HA 0.000 4.550 4.550 -0.000 0.000 0.293 403 Y C 2.088 177.765 175.900 -0.372 0.000 1.119 403 Y CA 0.950 58.882 58.100 -0.279 0.000 1.203 403 Y CB -0.034 38.137 38.460 -0.480 0.000 1.026 403 Y HN 0.076 nan 8.280 nan 0.000 0.549 404 I N -0.450 120.079 120.570 -0.067 0.000 2.493 404 I HA -0.248 3.922 4.170 -0.000 0.000 0.254 404 I C 2.282 178.172 176.117 -0.377 0.000 1.160 404 I CA 1.106 62.284 61.300 -0.203 0.000 1.445 404 I CB -0.095 38.016 38.000 0.185 0.000 1.086 404 I HN 0.185 nan 8.210 nan 0.000 0.433 405 A N 0.578 123.316 122.820 -0.138 0.000 2.019 405 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 405 A C 2.195 179.694 177.584 -0.143 0.000 1.164 405 A CA 1.425 53.398 52.037 -0.107 0.000 0.644 405 A CB -0.437 18.540 19.000 -0.038 0.000 0.805 405 A HN 0.417 nan 8.150 nan 0.000 0.449 406 K N -1.287 119.026 120.400 -0.145 0.000 2.147 406 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 406 K C 1.170 177.804 176.600 0.057 0.000 1.049 406 K CA 1.792 58.059 56.287 -0.033 0.000 0.936 406 K CB -0.278 32.220 32.500 -0.003 0.000 0.722 406 K HN 0.921 nan 8.250 nan 0.000 0.446 407 Y N -1.522 118.782 120.300 0.006 0.000 2.612 407 Y HA 0.278 4.828 4.550 -0.000 0.000 0.250 407 Y C 1.165 177.110 175.900 0.075 0.000 1.175 407 Y CA -0.188 57.933 58.100 0.035 0.000 1.205 407 Y CB -0.208 38.263 38.460 0.018 0.000 1.201 407 Y HN -0.063 nan 8.280 nan 0.000 0.532 408 T N -2.704 111.791 114.554 -0.099 0.000 3.409 408 T HA 0.118 4.468 4.350 -0.000 0.000 0.188 408 T C 1.322 176.038 174.700 0.027 0.000 0.929 408 T CA 0.603 62.700 62.100 -0.004 0.000 1.184 408 T CB -0.778 68.064 68.868 -0.044 0.000 1.570 408 T HN 0.093 nan 8.240 nan 0.000 0.367 409 I N 3.071 123.644 120.570 0.005 0.000 2.315 409 I HA -0.019 4.151 4.170 -0.000 0.000 0.248 409 I C 1.876 177.960 176.117 -0.055 0.000 1.117 409 I CA 1.317 62.606 61.300 -0.019 0.000 1.404 409 I CB -0.840 37.098 38.000 -0.103 0.000 1.071 409 I HN 0.254 nan 8.210 nan 0.000 0.419 410 N N 0.767 119.424 118.700 -0.072 0.000 2.120 410 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 410 N C -0.748 174.738 175.510 -0.040 0.000 1.024 410 N CA 1.676 54.682 53.050 -0.072 0.000 0.852 410 N CB -1.856 36.585 38.487 -0.077 0.000 1.003 410 N HN 0.314 nan 8.380 nan 0.000 0.424 411 P HA -0.013 nan 4.420 nan 0.000 0.217 411 P C 1.069 178.412 177.300 0.070 0.000 1.150 411 P CA 1.376 64.514 63.100 0.063 0.000 0.832 411 P CB -0.011 31.750 31.700 0.101 0.000 0.787 412 A N -0.661 122.179 122.820 0.033 0.000 1.902 412 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 412 A C 2.184 179.770 177.584 0.004 0.000 1.181 412 A CA 1.427 53.471 52.037 0.012 0.000 0.623 412 A CB -1.634 17.376 19.000 0.016 0.000 0.818 412 A HN 0.104 nan 8.150 nan 0.000 0.443 413 L N -0.839 120.376 121.223 -0.015 0.000 2.056 413 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 413 L C 2.776 179.612 176.870 -0.056 0.000 1.078 413 L CA 1.713 56.534 54.840 -0.032 0.000 0.749 413 L CB -0.824 41.200 42.059 -0.058 0.000 0.901 413 L HN 0.336 nan 8.230 nan 0.000 0.433 414 T N -2.076 112.430 114.554 -0.081 0.000 2.759 414 T HA -0.192 4.158 4.350 -0.000 0.000 0.269 414 T C 1.468 176.010 174.700 -0.264 0.000 1.042 414 T CA 1.176 63.168 62.100 -0.179 0.000 1.140 414 T CB -0.237 68.483 68.868 -0.248 0.000 0.864 414 T HN 0.369 nan 8.240 nan 0.000 0.455 415 H N -0.385 118.658 119.070 -0.045 0.000 2.520 415 H HA 0.343 4.899 4.556 -0.000 0.000 0.284 415 H C 1.631 176.924 175.328 -0.059 0.000 1.037 415 H CA 0.363 56.387 56.048 -0.039 0.000 1.168 415 H CB 0.205 29.946 29.762 -0.034 0.000 1.497 415 H HN 0.496 nan 8.280 nan 0.000 0.547 416 G N 2.329 111.137 108.800 0.014 0.000 2.221 416 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.265 416 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.265 416 G C 0.812 175.776 174.900 0.106 0.000 1.041 416 G CA 0.671 45.801 45.100 0.050 0.000 0.807 416 G HN 0.622 nan 8.290 nan 0.000 0.502 417 I N -4.053 116.510 120.570 -0.012 0.000 4.050 417 I HA 0.678 4.848 4.170 -0.000 0.000 0.327 417 I C 1.770 177.783 176.117 -0.173 0.000 1.473 417 I CA 0.335 61.522 61.300 -0.189 0.000 1.124 417 I CB 0.370 38.009 38.000 -0.602 0.000 1.129 417 I HN 0.117 nan 8.210 nan 0.000 0.428 418 A N 1.973 124.795 122.820 0.002 0.000 2.172 418 A HA -0.156 4.164 4.320 -0.000 0.000 0.216 418 A C 2.174 179.786 177.584 0.047 0.000 1.154 418 A CA 1.477 53.529 52.037 0.025 0.000 0.701 418 A CB -1.081 17.948 19.000 0.047 0.000 0.789 418 A HN 0.769 nan 8.150 nan 0.000 0.465 419 H N -1.687 117.419 119.070 0.059 0.000 2.529 419 H HA 0.109 4.665 4.556 -0.000 0.000 0.277 419 H C 0.905 176.291 175.328 0.097 0.000 0.999 419 H CA 1.188 57.277 56.048 0.068 0.000 1.256 419 H CB 0.057 29.854 29.762 0.059 0.000 1.402 419 H HN 0.478 nan 8.280 nan 0.000 0.566 420 E N 1.123 121.113 120.200 -0.351 0.000 2.228 420 E HA 0.142 4.491 4.350 -0.000 0.000 0.197 420 E C 1.264 177.875 176.600 0.018 0.000 0.909 420 E CA 0.824 57.146 56.400 -0.130 0.000 0.911 420 E CB 1.094 30.740 29.700 -0.090 0.000 0.887 420 E HN 0.380 nan 8.360 nan 0.000 0.481 421 V N -4.576 115.358 119.914 0.032 0.000 3.084 421 V HA 0.862 4.982 4.120 -0.000 0.000 0.311 421 V C 0.821 176.969 176.094 0.089 0.000 1.311 421 V CA -0.174 62.182 62.300 0.095 0.000 1.062 421 V CB 1.228 33.143 31.823 0.152 0.000 1.113 421 V HN 0.317 nan 8.190 nan 0.000 0.468 422 G N -0.156 108.715 108.800 0.118 0.000 2.218 422 G HA2 0.121 4.081 3.960 -0.000 0.000 0.216 422 G HA3 0.121 4.081 3.960 -0.000 0.000 0.216 422 G C 0.254 175.254 174.900 0.166 0.000 0.994 422 G CA 0.565 45.737 45.100 0.120 0.000 0.637 422 G HN 2.503 nan 8.290 nan 0.000 0.505 423 S N -1.305 114.512 115.700 0.196 0.000 2.643 423 S HA 0.631 5.101 4.470 -0.000 0.000 0.266 423 S C -0.875 173.878 174.600 0.254 0.000 1.130 423 S CA -0.648 57.711 58.200 0.265 0.000 0.817 423 S CB 1.057 64.488 63.200 0.385 0.000 1.107 423 S HN 0.798 nan 8.310 nan 0.000 0.471 424 I N 1.573 122.338 120.570 0.325 0.000 2.268 424 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 424 I C -0.132 176.165 176.117 0.300 0.000 1.125 424 I CA 0.148 61.635 61.300 0.312 0.000 1.236 424 I CB 0.006 38.215 38.000 0.349 0.000 1.469 424 I HN 0.563 nan 8.210 nan 0.000 0.512 425 E N 3.959 124.251 120.200 0.153 0.000 2.340 425 E HA 0.356 4.706 4.350 -0.000 0.000 0.273 425 E C -0.703 175.907 176.600 0.017 0.000 0.891 425 E CA -1.044 55.367 56.400 0.018 0.000 0.757 425 E CB 3.194 32.901 29.700 0.011 0.000 1.231 425 E HN 0.288 nan 8.360 nan 0.000 0.439 426 V N 0.103 119.990 119.914 -0.043 0.000 2.788 426 V HA 0.391 4.511 4.120 -0.000 0.000 0.307 426 V C 1.015 177.107 176.094 -0.003 0.000 1.069 426 V CA 1.144 63.422 62.300 -0.037 0.000 1.173 426 V CB 0.176 31.931 31.823 -0.113 0.000 0.925 426 V HN 1.025 nan 8.190 nan 0.000 0.492 427 G N 3.028 111.844 108.800 0.026 0.000 2.241 427 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.244 427 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.244 427 G C 0.353 175.291 174.900 0.064 0.000 0.998 427 G CA 0.380 45.507 45.100 0.045 0.000 0.621 427 G HN 0.917 nan 8.290 nan 0.000 0.519 428 K N 0.146 120.587 120.400 0.070 0.000 2.126 428 K HA 0.542 4.862 4.320 -0.000 0.000 0.257 428 K C 0.330 176.980 176.600 0.084 0.000 1.007 428 K CA -0.867 55.468 56.287 0.079 0.000 0.928 428 K CB 1.366 33.921 32.500 0.092 0.000 1.013 428 K HN 0.162 nan 8.250 nan 0.000 0.473 429 L N 1.821 123.091 121.223 0.079 0.000 2.525 429 L HA -0.030 4.310 4.340 -0.000 0.000 0.278 429 L C -0.006 176.919 176.870 0.090 0.000 1.218 429 L CA 0.745 55.631 54.840 0.076 0.000 0.878 429 L CB 0.416 42.515 42.059 0.067 0.000 1.127 429 L HN 0.744 nan 8.230 nan 0.000 0.492 430 A N 3.908 126.781 122.820 0.088 0.000 3.048 430 A HA 0.168 4.488 4.320 -0.000 0.000 0.264 430 A C -0.355 177.281 177.584 0.087 0.000 1.796 430 A CA -0.368 51.725 52.037 0.093 0.000 1.445 430 A CB -1.172 17.880 19.000 0.088 0.000 1.074 430 A HN 0.690 nan 8.150 nan 0.000 0.621 431 D N 1.476 121.935 120.400 0.097 0.000 2.428 431 D HA 0.535 5.174 4.640 -0.000 0.000 0.221 431 D C -0.283 176.079 176.300 0.103 0.000 1.123 431 D CA 0.443 54.499 54.000 0.094 0.000 0.869 431 D CB 0.845 41.710 40.800 0.109 0.000 1.032 431 D HN 0.407 nan 8.370 nan 0.000 0.506 432 L N 1.040 122.311 121.223 0.080 0.000 2.333 432 L HA 0.672 5.012 4.340 -0.000 0.000 0.263 432 L C -0.556 176.325 176.870 0.019 0.000 1.014 432 L CA -1.221 53.668 54.840 0.082 0.000 0.820 432 L CB 2.392 44.502 42.059 0.085 0.000 1.352 432 L HN -0.101 nan 8.230 nan 0.000 0.421 433 V N 1.917 121.832 119.914 0.002 0.000 2.577 433 V HA 0.409 4.529 4.120 -0.000 0.000 0.303 433 V C -0.331 175.598 176.094 -0.275 0.000 1.042 433 V CA -0.674 61.491 62.300 -0.225 0.000 0.872 433 V CB 2.186 33.799 31.823 -0.350 0.000 0.998 433 V HN 0.408 nan 8.190 nan 0.000 0.423 434 V N 4.058 123.784 119.914 -0.314 0.000 2.439 434 V HA 0.513 4.633 4.120 -0.000 0.000 0.282 434 V C -0.839 175.127 176.094 -0.213 0.000 1.039 434 V CA -0.426 61.794 62.300 -0.132 0.000 0.913 434 V CB 1.307 33.105 31.823 -0.042 0.000 0.983 434 V HN 0.910 nan 8.190 nan 0.000 0.460 435 W N 1.957 123.326 121.300 0.114 0.000 2.819 435 W HA 0.619 5.279 4.660 -0.000 0.000 0.337 435 W C 0.226 176.835 176.519 0.150 0.000 1.077 435 W CA -0.647 56.777 57.345 0.131 0.000 1.226 435 W CB 1.767 31.337 29.460 0.184 0.000 1.419 435 W HN 0.463 nan 8.180 nan 0.000 0.502 436 S N 2.418 118.374 115.700 0.426 0.000 2.537 436 S HA 0.287 4.757 4.470 -0.000 0.000 0.275 436 S C -1.510 173.292 174.600 0.337 0.000 1.272 436 S CA -1.196 57.204 58.200 0.334 0.000 1.050 436 S CB 1.088 64.510 63.200 0.371 0.000 0.961 436 S HN 0.228 nan 8.310 nan 0.000 0.496 437 P HA -0.085 nan 4.420 nan 0.000 0.216 437 P C 1.141 178.451 177.300 0.016 0.000 1.150 437 P CA 1.545 64.686 63.100 0.068 0.000 0.843 437 P CB 0.022 31.714 31.700 -0.013 0.000 0.787 438 A N -2.283 120.549 122.820 0.020 0.000 2.121 438 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 438 A C 1.291 178.667 177.584 -0.346 0.000 1.154 438 A CA 1.152 53.083 52.037 -0.176 0.000 0.679 438 A CB -1.300 17.550 19.000 -0.251 0.000 0.795 438 A HN 0.180 nan 8.150 nan 0.000 0.458 439 F N -2.453 117.560 119.950 0.105 0.000 2.683 439 F HA 0.324 4.851 4.527 -0.000 0.000 0.306 439 F C 0.312 176.083 175.800 -0.048 0.000 1.102 439 F CA -1.185 56.827 58.000 0.020 0.000 1.244 439 F CB 0.036 39.107 39.000 0.117 0.000 1.029 439 F HN 0.156 nan 8.300 nan 0.000 0.545 440 F N 1.546 121.423 119.950 -0.121 0.000 2.623 440 F HA 0.307 4.834 4.527 -0.000 0.000 0.386 440 F C 1.405 176.791 175.800 -0.690 0.000 1.068 440 F CA 1.075 58.784 58.000 -0.484 0.000 1.265 440 F CB 0.436 39.085 39.000 -0.585 0.000 1.026 440 F HN 0.321 nan 8.300 nan 0.000 0.568 441 G N 3.395 110.925 108.800 -2.116 0.000 2.189 441 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.267 441 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.267 441 G C 0.501 175.168 174.900 -0.389 0.000 0.975 441 G CA 0.527 44.850 45.100 -1.294 0.000 0.644 441 G HN 0.779 nan 8.290 nan 0.000 0.537 442 V N -1.030 118.773 119.914 -0.184 0.000 2.950 442 V HA 0.383 4.503 4.120 -0.000 0.000 0.231 442 V C 0.965 177.153 176.094 0.158 0.000 1.205 442 V CA 1.704 63.980 62.300 -0.039 0.000 1.239 442 V CB 0.463 32.034 31.823 -0.420 0.000 1.050 442 V HN 0.260 nan 8.190 nan 0.000 0.498 443 K N 1.226 121.788 120.400 0.269 0.000 2.668 443 K HA 0.441 4.761 4.320 -0.000 0.000 0.246 443 K C -2.939 173.840 176.600 0.299 0.000 0.976 443 K CA -1.561 54.878 56.287 0.253 0.000 0.902 443 K CB 2.635 35.240 32.500 0.175 0.000 1.172 443 K HN 0.159 nan 8.250 nan 0.000 0.452 444 P HA 0.076 nan 4.420 nan 0.000 0.274 444 P C -0.023 177.252 177.300 -0.042 0.000 1.237 444 P CA -0.174 62.782 63.100 -0.239 0.000 0.793 444 P CB 1.056 32.346 31.700 -0.684 0.000 0.977 445 A N 1.308 124.064 122.820 -0.108 0.000 1.943 445 A HA 0.158 4.478 4.320 -0.000 0.000 0.213 445 A C 0.461 177.987 177.584 -0.098 0.000 1.181 445 A CA 1.433 53.418 52.037 -0.086 0.000 0.653 445 A CB -0.457 18.522 19.000 -0.035 0.000 0.833 445 A HN 0.568 nan 8.150 nan 0.000 0.451 446 T N -0.850 113.623 114.554 -0.135 0.000 3.041 446 T HA 0.502 4.852 4.350 -0.000 0.000 0.321 446 T C -1.327 173.287 174.700 -0.142 0.000 1.184 446 T CA -0.413 61.627 62.100 -0.101 0.000 1.050 446 T CB 1.943 70.770 68.868 -0.069 0.000 1.159 446 T HN 0.011 nan 8.240 nan 0.000 0.469 447 V N 3.855 123.718 119.914 -0.085 0.000 2.350 447 V HA 0.502 4.622 4.120 -0.000 0.000 0.285 447 V C -0.340 175.735 176.094 -0.030 0.000 1.014 447 V CA -0.737 61.511 62.300 -0.087 0.000 0.831 447 V CB 1.125 32.903 31.823 -0.075 0.000 1.000 447 V HN 0.780 nan 8.190 nan 0.000 0.433 448 I N 4.977 125.536 120.570 -0.017 0.000 2.336 448 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 448 I C 0.131 176.268 176.117 0.033 0.000 0.991 448 I CA -0.461 60.847 61.300 0.014 0.000 1.227 448 I CB 1.292 39.305 38.000 0.022 0.000 1.366 448 I HN 0.395 nan 8.210 nan 0.000 0.466 449 K N 4.149 124.574 120.400 0.040 0.000 2.413 449 K HA 0.359 4.679 4.320 -0.000 0.000 0.257 449 K C 0.424 177.058 176.600 0.057 0.000 0.946 449 K CA -0.378 55.939 56.287 0.050 0.000 0.823 449 K CB 1.927 34.455 32.500 0.046 0.000 1.109 449 K HN 0.905 nan 8.250 nan 0.000 0.427 450 G N 1.929 110.766 108.800 0.061 0.000 2.258 450 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.274 450 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.274 450 G C 0.718 175.664 174.900 0.077 0.000 1.021 450 G CA 1.002 46.142 45.100 0.068 0.000 0.798 450 G HN 1.112 nan 8.290 nan 0.000 0.507 451 G N -2.113 106.726 108.800 0.065 0.000 2.176 451 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.253 451 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.253 451 G C 0.215 175.140 174.900 0.041 0.000 0.979 451 G CA 0.888 46.021 45.100 0.055 0.000 0.641 451 G HN 1.107 nan 8.290 nan 0.000 0.530 452 M N 0.368 119.996 119.600 0.047 0.000 2.395 452 M HA 0.506 4.986 4.480 -0.000 0.000 0.307 452 M C 0.300 176.627 176.300 0.046 0.000 1.091 452 M CA -0.852 54.475 55.300 0.044 0.000 0.919 452 M CB 2.157 34.790 32.600 0.055 0.000 1.662 452 M HN 0.052 nan 8.290 nan 0.000 0.440 453 I N 2.050 122.647 120.570 0.046 0.000 2.598 453 I HA 0.004 4.174 4.170 -0.000 0.000 0.284 453 I C 0.949 177.091 176.117 0.042 0.000 1.140 453 I CA 0.195 61.516 61.300 0.035 0.000 1.420 453 I CB 0.979 38.998 38.000 0.032 0.000 1.387 453 I HN 0.893 nan 8.210 nan 0.000 0.553 454 A N 7.251 130.085 122.820 0.024 0.000 2.085 454 A HA 0.416 4.735 4.320 -0.000 0.000 0.208 454 A C 0.606 178.193 177.584 0.004 0.000 1.191 454 A CA 0.474 52.521 52.037 0.017 0.000 0.799 454 A CB 0.463 19.476 19.000 0.021 0.000 0.877 454 A HN 0.654 nan 8.150 nan 0.000 0.473 455 I N -1.903 118.675 120.570 0.013 0.000 2.842 455 I HA 0.604 4.774 4.170 -0.000 0.000 0.297 455 I C -1.396 174.758 176.117 0.061 0.000 1.380 455 I CA -0.442 60.881 61.300 0.039 0.000 1.018 455 I CB 2.163 40.201 38.000 0.063 0.000 1.311 455 I HN 0.260 nan 8.210 nan 0.000 0.439 456 A N 5.809 128.666 122.820 0.062 0.000 2.586 456 A HA 0.830 5.150 4.320 -0.000 0.000 0.291 456 A C -3.121 174.313 177.584 -0.249 0.000 1.062 456 A CA -1.170 50.853 52.037 -0.023 0.000 0.666 456 A CB 1.605 20.561 19.000 -0.073 0.000 1.281 456 A HN 0.311 nan 8.150 nan 0.000 0.421 457 P HA 0.531 nan 4.420 nan 0.000 0.276 457 P C -0.778 176.283 177.300 -0.399 0.000 1.230 457 P CA 0.026 62.683 63.100 -0.738 0.000 0.776 457 P CB 0.641 31.903 31.700 -0.730 0.000 0.888 458 M N 2.945 122.315 119.600 -0.383 0.000 2.326 458 M HA 0.611 5.091 4.480 -0.000 0.000 0.292 458 M C -0.222 175.896 176.300 -0.303 0.000 1.081 458 M CA -0.456 54.672 55.300 -0.287 0.000 0.919 458 M CB 1.557 34.009 32.600 -0.247 0.000 1.634 458 M HN 0.416 nan 8.290 nan 0.000 0.451 459 G N 1.300 109.979 108.800 -0.201 0.000 2.525 459 G HA2 0.265 4.225 3.960 -0.000 0.000 0.287 459 G HA3 0.265 4.225 3.960 -0.000 0.000 0.287 459 G C -0.873 173.953 174.900 -0.124 0.000 1.350 459 G CA -0.578 44.429 45.100 -0.155 0.000 1.039 459 G HN 0.751 nan 8.290 nan 0.000 0.513 460 D N -0.236 120.121 120.400 -0.071 0.000 2.772 460 D HA -0.112 4.528 4.640 -0.000 0.000 0.227 460 D C 1.695 177.969 176.300 -0.044 0.000 1.114 460 D CA -0.222 53.754 54.000 -0.040 0.000 0.832 460 D CB 0.293 41.080 40.800 -0.022 0.000 1.154 460 D HN 0.039 nan 8.370 nan 0.000 0.514 461 I N 3.664 124.211 120.570 -0.039 0.000 2.493 461 I HA -0.200 3.970 4.170 -0.000 0.000 0.254 461 I C 1.841 177.946 176.117 -0.020 0.000 1.160 461 I CA 0.913 62.192 61.300 -0.035 0.000 1.445 461 I CB -1.154 36.828 38.000 -0.031 0.000 1.086 461 I HN 0.443 nan 8.210 nan 0.000 0.433 462 N N 0.985 119.677 118.700 -0.013 0.000 2.336 462 N HA 0.129 4.869 4.740 -0.000 0.000 0.189 462 N C 0.605 176.111 175.510 -0.008 0.000 1.113 462 N CA 0.112 53.157 53.050 -0.007 0.000 0.858 462 N CB 0.258 38.743 38.487 -0.003 0.000 0.970 462 N HN 0.261 nan 8.380 nan 0.000 0.471 463 A N -0.555 122.257 122.820 -0.013 0.000 2.346 463 A HA 0.296 4.616 4.320 -0.000 0.000 0.252 463 A C 1.380 178.957 177.584 -0.011 0.000 1.089 463 A CA 0.133 52.162 52.037 -0.013 0.000 0.797 463 A CB 0.103 19.092 19.000 -0.019 0.000 1.047 463 A HN 0.449 nan 8.150 nan 0.000 0.494 464 S N -0.352 115.342 115.700 -0.009 0.000 2.481 464 S HA 0.139 4.609 4.470 -0.000 0.000 0.231 464 S C 0.563 175.158 174.600 -0.007 0.000 0.996 464 S CA 1.024 59.220 58.200 -0.006 0.000 0.942 464 S CB -0.984 62.212 63.200 -0.006 0.000 0.768 464 S HN 0.809 nan 8.310 nan 0.000 0.520 465 I N -3.220 117.342 120.570 -0.012 0.000 3.191 465 I HA 0.451 4.621 4.170 -0.000 0.000 0.313 465 I C -2.559 173.544 176.117 -0.024 0.000 1.193 465 I CA -2.712 58.580 61.300 -0.014 0.000 0.968 465 I CB 1.746 39.739 38.000 -0.013 0.000 1.262 465 I HN -0.359 nan 8.210 nan 0.000 0.456 466 P HA -0.015 nan 4.420 nan 0.000 0.249 466 P C 1.046 178.306 177.300 -0.067 0.000 1.229 466 P CA 0.906 63.977 63.100 -0.049 0.000 0.788 466 P CB 0.098 31.770 31.700 -0.047 0.000 1.072 467 T N -4.212 110.309 114.554 -0.054 0.000 3.054 467 T HA 0.180 4.530 4.350 -0.000 0.000 0.259 467 T C -1.503 173.164 174.700 -0.055 0.000 1.092 467 T CA -0.358 61.706 62.100 -0.060 0.000 1.121 467 T CB -1.975 66.866 68.868 -0.045 0.000 0.912 467 T HN 0.125 nan 8.240 nan 0.000 0.489 468 P HA 0.175 nan 4.420 nan 0.000 0.267 468 P C 0.112 177.391 177.300 -0.036 0.000 1.200 468 P CA -0.153 62.927 63.100 -0.033 0.000 0.772 468 P CB 0.369 32.054 31.700 -0.024 0.000 0.855 469 Q N 2.791 122.578 119.800 -0.023 0.000 2.417 469 Q HA 0.204 4.544 4.340 -0.000 0.000 0.241 469 Q C -1.880 174.124 176.000 0.006 0.000 1.008 469 Q CA -1.200 54.597 55.803 -0.011 0.000 0.901 469 Q CB -0.524 28.212 28.738 -0.002 0.000 1.259 469 Q HN 0.404 nan 8.270 nan 0.000 0.489 470 P HA 0.209 nan 4.420 nan 0.000 0.285 470 P C -0.828 176.500 177.300 0.046 0.000 1.259 470 P CA -0.337 62.807 63.100 0.073 0.000 0.794 470 P CB 0.918 32.703 31.700 0.142 0.000 0.940 471 V N 5.193 125.109 119.914 0.003 0.000 2.370 471 V HA 0.366 4.486 4.120 -0.000 0.000 0.279 471 V C 0.116 176.172 176.094 -0.064 0.000 1.029 471 V CA -0.117 62.114 62.300 -0.116 0.000 0.870 471 V CB 0.224 31.959 31.823 -0.147 0.000 0.984 471 V HN 0.880 nan 8.190 nan 0.000 0.451 472 H N 2.114 121.098 119.070 -0.144 0.000 3.037 472 H HA 0.625 5.181 4.556 -0.000 0.000 0.355 472 H C -1.514 173.710 175.328 -0.172 0.000 1.263 472 H CA -1.130 54.851 56.048 -0.111 0.000 1.129 472 H CB 0.674 30.443 29.762 0.011 0.000 1.861 472 H HN 0.365 nan 8.280 nan 0.000 0.546 473 Y N 1.201 121.539 120.300 0.063 0.000 2.620 473 Y HA 0.274 4.824 4.550 -0.000 0.000 0.330 473 Y C 0.633 176.540 175.900 0.013 0.000 1.186 473 Y CA 0.379 58.478 58.100 -0.001 0.000 1.467 473 Y CB 0.523 38.993 38.460 0.016 0.000 1.262 473 Y HN 0.392 nan 8.280 nan 0.000 0.550 474 R N 3.958 124.478 120.500 0.035 0.000 2.673 474 R HA 0.403 4.743 4.340 -0.000 0.000 0.281 474 R C -3.012 173.275 176.300 -0.021 0.000 0.991 474 R CA -2.338 53.761 56.100 -0.002 0.000 0.896 474 R CB 1.663 31.901 30.300 -0.104 0.000 1.201 474 R HN 0.319 nan 8.270 nan 0.000 0.457 475 P HA 0.048 nan 4.420 nan 0.000 0.268 475 P C -0.414 176.801 177.300 -0.142 0.000 1.204 475 P CA 0.184 63.248 63.100 -0.059 0.000 0.768 475 P CB 0.617 32.284 31.700 -0.055 0.000 0.842 476 M N 1.868 121.386 119.600 -0.136 0.000 2.799 476 M HA 0.337 4.817 4.480 -0.000 0.000 0.274 476 M C 1.374 177.532 176.300 -0.238 0.000 1.137 476 M CA -0.680 54.482 55.300 -0.230 0.000 0.897 476 M CB -0.469 32.081 32.600 -0.084 0.000 1.567 476 M HN 0.232 nan 8.290 nan 0.000 0.536 477 F N 0.609 120.542 119.950 -0.028 0.000 2.202 477 F HA -0.066 4.461 4.527 -0.000 0.000 0.301 477 F C 2.255 178.035 175.800 -0.033 0.000 1.082 477 F CA 1.454 59.434 58.000 -0.033 0.000 1.313 477 F CB -0.953 38.026 39.000 -0.036 0.000 1.024 477 F HN 0.750 nan 8.300 nan 0.000 0.495 478 G N -0.618 108.259 108.800 0.128 0.000 2.559 478 G HA2 0.004 3.964 3.960 -0.000 0.000 0.216 478 G HA3 0.004 3.964 3.960 -0.000 0.000 0.216 478 G C 1.490 176.406 174.900 0.027 0.000 1.126 478 G CA 0.631 45.774 45.100 0.072 0.000 0.778 478 G HN 0.434 nan 8.290 nan 0.000 0.543 479 A N -0.315 122.504 122.820 -0.001 0.000 2.430 479 A HA 0.594 4.914 4.320 -0.000 0.000 0.243 479 A C 0.589 178.142 177.584 -0.053 0.000 1.254 479 A CA -0.345 51.675 52.037 -0.027 0.000 0.914 479 A CB 0.162 19.144 19.000 -0.030 0.000 0.998 479 A HN 0.242 nan 8.150 nan 0.000 0.515 480 L N -0.029 121.169 121.223 -0.042 0.000 2.289 480 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 480 L C 1.640 178.451 176.870 -0.098 0.000 1.049 480 L CA -0.149 54.660 54.840 -0.053 0.000 0.804 480 L CB 1.052 43.110 42.059 -0.001 0.000 1.195 480 L HN 0.523 nan 8.230 nan 0.000 0.428 481 G N 2.522 111.238 108.800 -0.141 0.000 2.668 481 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.429 481 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.429 481 G C 1.152 175.797 174.900 -0.426 0.000 1.182 481 G CA 0.984 45.947 45.100 -0.228 0.000 0.911 481 G HN 0.639 nan 8.290 nan 0.000 0.631 482 S N 0.660 116.247 115.700 -0.187 0.000 2.399 482 S HA 0.021 4.491 4.470 -0.000 0.000 0.231 482 S C 2.776 177.364 174.600 -0.021 0.000 1.022 482 S CA 2.018 60.190 58.200 -0.048 0.000 0.983 482 S CB -0.577 62.662 63.200 0.066 0.000 0.803 482 S HN 1.244 nan 8.310 nan 0.000 0.480 483 A N 1.891 124.691 122.820 -0.033 0.000 1.933 483 A HA -0.120 4.200 4.320 -0.000 0.000 0.218 483 A C 2.090 179.690 177.584 0.027 0.000 1.175 483 A CA 1.416 53.461 52.037 0.013 0.000 0.628 483 A CB -0.528 18.487 19.000 0.025 0.000 0.814 483 A HN 0.430 nan 8.150 nan 0.000 0.444 484 R N -0.756 119.703 120.500 -0.069 0.000 2.081 484 R HA -0.187 4.153 4.340 -0.000 0.000 0.235 484 R C 1.932 178.233 176.300 0.002 0.000 1.131 484 R CA 1.972 58.032 56.100 -0.065 0.000 0.960 484 R CB -0.560 29.650 30.300 -0.150 0.000 0.856 484 R HN 0.779 nan 8.270 nan 0.000 0.436 485 H N -2.039 117.055 119.070 0.040 0.000 2.387 485 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 485 H C 1.902 177.244 175.328 0.022 0.000 1.099 485 H CA 1.642 57.701 56.048 0.018 0.000 1.315 485 H CB -0.101 29.672 29.762 0.018 0.000 1.380 485 H HN 0.440 nan 8.280 nan 0.000 0.513 486 H N -0.911 118.217 119.070 0.098 0.000 2.529 486 H HA 0.029 4.585 4.556 -0.000 0.000 0.277 486 H C 1.101 176.445 175.328 0.027 0.000 0.999 486 H CA 0.923 57.001 56.048 0.049 0.000 1.256 486 H CB 0.276 30.059 29.762 0.035 0.000 1.402 486 H HN 0.307 nan 8.280 nan 0.000 0.566 487 C N 1.354 120.730 119.300 0.126 0.000 2.974 487 C HA 0.291 4.751 4.460 -0.000 0.000 0.282 487 C C 0.570 175.577 174.990 0.029 0.000 1.292 487 C CA -0.413 58.654 59.018 0.081 0.000 1.710 487 C CB -1.189 26.607 27.740 0.093 0.000 2.036 487 C HN 0.511 nan 8.230 nan 0.000 0.629 488 R N 0.105 120.607 120.500 0.004 0.000 2.888 488 R HA 0.834 5.174 4.340 -0.000 0.000 0.266 488 R C -1.590 174.650 176.300 -0.101 0.000 1.020 488 R CA -0.677 55.408 56.100 -0.025 0.000 0.963 488 R CB 0.989 31.291 30.300 0.004 0.000 1.197 488 R HN 0.093 nan 8.270 nan 0.000 0.481 489 L N 0.913 122.023 121.223 -0.189 0.000 2.365 489 L HA 0.459 4.799 4.340 -0.000 0.000 0.273 489 L C -0.580 176.020 176.870 -0.449 0.000 1.000 489 L CA -0.902 53.713 54.840 -0.374 0.000 0.819 489 L CB 2.640 44.321 42.059 -0.630 0.000 1.284 489 L HN 0.732 nan 8.230 nan 0.000 0.418 490 T N 2.564 116.900 114.554 -0.362 0.000 2.758 490 T HA 0.506 4.856 4.350 -0.000 0.000 0.285 490 T C -0.445 174.091 174.700 -0.273 0.000 0.981 490 T CA -0.231 61.725 62.100 -0.241 0.000 0.965 490 T CB 0.233 69.027 68.868 -0.122 0.000 0.927 490 T HN 0.095 nan 8.240 nan 0.000 0.448 491 F N 3.456 123.429 119.950 0.038 0.000 2.396 491 F HA 0.541 5.068 4.527 -0.000 0.000 0.343 491 F C 0.451 176.279 175.800 0.048 0.000 1.104 491 F CA -0.766 57.266 58.000 0.053 0.000 1.161 491 F CB 0.662 39.705 39.000 0.073 0.000 1.146 491 F HN 0.184 nan 8.300 nan 0.000 0.522 492 L N 1.648 123.009 121.223 0.230 0.000 2.309 492 L HA 0.510 4.850 4.340 -0.000 0.000 0.261 492 L C -0.167 176.784 176.870 0.135 0.000 1.021 492 L CA -1.088 53.835 54.840 0.139 0.000 0.823 492 L CB 2.401 44.506 42.059 0.076 0.000 1.366 492 L HN 0.652 nan 8.230 nan 0.000 0.423 493 S N -0.492 115.263 115.700 0.093 0.000 2.603 493 S HA 0.173 4.643 4.470 -0.000 0.000 0.268 493 S C 0.523 175.156 174.600 0.057 0.000 1.317 493 S CA -0.548 57.696 58.200 0.073 0.000 1.012 493 S CB 1.362 64.593 63.200 0.052 0.000 0.926 493 S HN 0.689 nan 8.310 nan 0.000 0.539 494 Q N 0.915 120.741 119.800 0.043 0.000 2.124 494 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 494 Q C 2.477 178.490 176.000 0.021 0.000 0.977 494 Q CA 1.614 57.435 55.803 0.029 0.000 0.850 494 Q CB -0.602 28.145 28.738 0.016 0.000 0.901 494 Q HN 0.924 nan 8.270 nan 0.000 0.429 495 A N 1.026 123.857 122.820 0.019 0.000 1.902 495 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 495 A C 2.297 179.889 177.584 0.013 0.000 1.181 495 A CA 1.577 53.622 52.037 0.013 0.000 0.623 495 A CB -0.854 18.153 19.000 0.011 0.000 0.818 495 A HN 0.401 nan 8.150 nan 0.000 0.443 496 A N -0.093 122.738 122.820 0.019 0.000 1.877 496 A HA 0.153 4.473 4.320 -0.000 0.000 0.216 496 A C 2.526 180.117 177.584 0.012 0.000 1.186 496 A CA 2.165 54.211 52.037 0.015 0.000 0.620 496 A CB -1.091 17.922 19.000 0.022 0.000 0.822 496 A HN 1.081 nan 8.150 nan 0.000 0.443 497 A N -0.127 122.705 122.820 0.020 0.000 1.908 497 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 497 A C 2.500 180.089 177.584 0.008 0.000 1.181 497 A CA 2.288 54.335 52.037 0.016 0.000 0.627 497 A CB -1.021 17.996 19.000 0.028 0.000 0.818 497 A HN 1.103 nan 8.150 nan 0.000 0.445 498 A N -0.076 122.749 122.820 0.009 0.000 1.969 498 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 498 A C 1.695 179.280 177.584 0.001 0.000 1.169 498 A CA 1.561 53.600 52.037 0.004 0.000 0.635 498 A CB -0.530 18.473 19.000 0.004 0.000 0.810 498 A HN 0.516 nan 8.150 nan 0.000 0.445 499 N N -0.354 118.347 118.700 0.001 0.000 2.571 499 N HA 0.083 4.823 4.740 -0.000 0.000 0.189 499 N C 1.108 176.615 175.510 -0.005 0.000 1.154 499 N CA 1.065 54.114 53.050 -0.001 0.000 0.907 499 N CB -0.090 38.397 38.487 -0.000 0.000 0.977 499 N HN 0.667 nan 8.380 nan 0.000 0.449 500 G N -0.214 108.583 108.800 -0.006 0.000 2.160 500 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.244 500 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.244 500 G C 0.986 175.877 174.900 -0.016 0.000 1.022 500 G CA 0.399 45.493 45.100 -0.011 0.000 0.741 500 G HN 0.217 nan 8.290 nan 0.000 0.508 501 V N 0.161 120.066 119.914 -0.015 0.000 2.332 501 V HA -0.135 3.985 4.120 -0.000 0.000 0.248 501 V C 3.217 179.290 176.094 -0.034 0.000 1.055 501 V CA 3.118 65.404 62.300 -0.022 0.000 1.038 501 V CB -0.899 30.915 31.823 -0.016 0.000 0.651 501 V HN 0.996 nan 8.190 nan 0.000 0.450 502 A N -0.077 122.724 122.820 -0.033 0.000 1.908 502 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 502 A C 2.099 179.653 177.584 -0.050 0.000 1.181 502 A CA 2.064 54.074 52.037 -0.046 0.000 0.627 502 A CB -0.452 18.522 19.000 -0.043 0.000 0.818 502 A HN 0.571 nan 8.150 nan 0.000 0.445 503 E N -0.626 119.551 120.200 -0.039 0.000 2.107 503 E HA -0.090 4.260 4.350 -0.000 0.000 0.191 503 E C 2.119 178.697 176.600 -0.038 0.000 0.982 503 E CA 1.119 57.497 56.400 -0.037 0.000 0.809 503 E CB -0.286 29.398 29.700 -0.027 0.000 0.756 503 E HN 0.630 nan 8.360 nan 0.000 0.459 504 R N 0.440 120.918 120.500 -0.036 0.000 2.073 504 R HA -0.055 4.285 4.340 -0.000 0.000 0.234 504 R C 1.684 177.955 176.300 -0.048 0.000 1.134 504 R CA 1.195 57.273 56.100 -0.036 0.000 0.952 504 R CB -0.185 30.097 30.300 -0.031 0.000 0.850 504 R HN 0.203 nan 8.270 nan 0.000 0.433 505 L N 0.528 121.715 121.223 -0.060 0.000 2.591 505 L HA 0.070 4.410 4.340 -0.000 0.000 0.228 505 L C 0.512 177.333 176.870 -0.082 0.000 1.133 505 L CA 0.142 54.934 54.840 -0.079 0.000 0.880 505 L CB -0.443 41.560 42.059 -0.093 0.000 1.033 505 L HN 0.443 nan 8.230 nan 0.000 0.450 506 N N 1.261 119.917 118.700 -0.072 0.000 2.727 506 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 506 N C -0.514 174.932 175.510 -0.106 0.000 1.040 506 N CA -0.291 52.712 53.050 -0.077 0.000 0.712 506 N CB -0.350 38.097 38.487 -0.067 0.000 0.912 506 N HN 0.056 nan 8.380 nan 0.000 0.545 507 L N 1.582 122.739 121.223 -0.110 0.000 2.410 507 L HA 0.111 4.451 4.340 -0.000 0.000 0.273 507 L C 1.750 178.513 176.870 -0.177 0.000 1.152 507 L CA 0.635 55.390 54.840 -0.142 0.000 0.855 507 L CB 1.103 43.092 42.059 -0.116 0.000 1.129 507 L HN 0.209 nan 8.230 nan 0.000 0.463 508 R N 0.391 120.715 120.500 -0.293 0.000 2.223 508 R HA 0.163 4.503 4.340 -0.000 0.000 0.198 508 R C 0.605 176.735 176.300 -0.283 0.000 0.984 508 R CA 0.173 56.047 56.100 -0.377 0.000 1.018 508 R CB -0.024 29.811 30.300 -0.774 0.000 0.945 508 R HN 0.619 nan 8.270 nan 0.000 0.479 509 S N 0.361 115.922 115.700 -0.231 0.000 2.624 509 S HA 0.510 4.980 4.470 -0.000 0.000 0.263 509 S C 0.170 174.708 174.600 -0.104 0.000 1.287 509 S CA -0.497 57.651 58.200 -0.088 0.000 0.990 509 S CB 1.117 64.286 63.200 -0.051 0.000 0.950 509 S HN 0.380 nan 8.310 nan 0.000 0.561 510 A N 1.392 124.144 122.820 -0.113 0.000 2.445 510 A HA 0.453 4.773 4.320 -0.000 0.000 0.242 510 A C -0.154 177.342 177.584 -0.146 0.000 1.075 510 A CA -0.159 51.795 52.037 -0.139 0.000 0.777 510 A CB -0.198 18.698 19.000 -0.172 0.000 1.013 510 A HN 0.581 nan 8.150 nan 0.000 0.493 511 I N 0.811 121.311 120.570 -0.115 0.000 2.441 511 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 511 I C 0.512 176.584 176.117 -0.074 0.000 0.994 511 I CA -0.192 61.047 61.300 -0.103 0.000 1.144 511 I CB 1.126 39.094 38.000 -0.054 0.000 1.314 511 I HN 0.746 nan 8.210 nan 0.000 0.445 512 A N 5.928 128.704 122.820 -0.073 0.000 2.413 512 A HA 0.835 5.155 4.320 -0.000 0.000 0.307 512 A C -1.081 176.654 177.584 0.250 0.000 1.087 512 A CA -0.528 51.562 52.037 0.089 0.000 0.750 512 A CB 1.797 20.826 19.000 0.049 0.000 1.296 512 A HN 0.376 nan 8.150 nan 0.000 0.423 513 V N 1.856 121.955 119.914 0.309 0.000 2.513 513 V HA 0.527 4.647 4.120 -0.000 0.000 0.299 513 V C 0.317 176.596 176.094 0.309 0.000 1.035 513 V CA -0.568 61.882 62.300 0.250 0.000 0.889 513 V CB 1.534 33.433 31.823 0.126 0.000 0.988 513 V HN 1.048 nan 8.190 nan 0.000 0.440 514 V N 2.839 122.894 119.914 0.235 0.000 2.732 514 V HA 0.783 4.903 4.120 -0.000 0.000 0.297 514 V C -0.339 175.802 176.094 0.078 0.000 1.060 514 V CA -0.420 61.992 62.300 0.187 0.000 1.038 514 V CB 0.922 32.812 31.823 0.111 0.000 1.003 514 V HN 1.082 nan 8.190 nan 0.000 0.481 515 K N 2.014 122.438 120.400 0.039 0.000 2.578 515 K HA 0.675 4.995 4.320 -0.000 0.000 0.269 515 K C 0.040 176.625 176.600 -0.025 0.000 0.941 515 K CA -0.538 55.728 56.287 -0.035 0.000 0.847 515 K CB 1.391 33.817 32.500 -0.123 0.000 1.397 515 K HN 1.988 nan 8.250 nan 0.000 0.422 516 G N 0.884 109.666 108.800 -0.030 0.000 2.149 516 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.235 516 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.235 516 G C 0.497 175.378 174.900 -0.032 0.000 1.018 516 G CA 0.079 45.163 45.100 -0.028 0.000 0.728 516 G HN 0.671 nan 8.290 nan 0.000 0.508 517 C N -0.358 118.920 119.300 -0.037 0.000 2.495 517 C HA 0.182 4.642 4.460 -0.000 0.000 0.275 517 C C 2.480 177.429 174.990 -0.069 0.000 1.392 517 C CA 0.889 59.869 59.018 -0.063 0.000 1.766 517 C CB -0.427 27.277 27.740 -0.061 0.000 1.933 517 C HN 0.578 nan 8.230 nan 0.000 0.519 518 R N 1.102 121.572 120.500 -0.050 0.000 2.223 518 R HA 0.016 4.356 4.340 -0.000 0.000 0.198 518 R C 1.969 178.242 176.300 -0.043 0.000 0.984 518 R CA 1.469 57.541 56.100 -0.047 0.000 1.018 518 R CB -1.143 29.135 30.300 -0.037 0.000 0.945 518 R HN 0.695 nan 8.270 nan 0.000 0.479 519 T N -1.212 113.318 114.554 -0.041 0.000 3.065 519 T HA 0.097 4.447 4.350 -0.000 0.000 0.252 519 T C 1.172 175.848 174.700 -0.040 0.000 1.099 519 T CA -0.149 61.929 62.100 -0.036 0.000 1.063 519 T CB -0.364 68.487 68.868 -0.029 0.000 0.948 519 T HN -0.039 nan 8.240 nan 0.000 0.506 520 V N 1.544 121.427 119.914 -0.050 0.000 2.811 520 V HA 0.542 4.662 4.120 -0.000 0.000 0.302 520 V C -0.284 175.775 176.094 -0.058 0.000 1.063 520 V CA -0.991 61.274 62.300 -0.057 0.000 1.088 520 V CB 0.529 32.307 31.823 -0.074 0.000 0.982 520 V HN 0.735 nan 8.190 nan 0.000 0.485 521 Q N 1.500 121.268 119.800 -0.054 0.000 2.626 521 Q HA 0.513 4.853 4.340 -0.000 0.000 0.300 521 Q C 0.357 176.326 176.000 -0.051 0.000 0.988 521 Q CA -1.069 54.705 55.803 -0.048 0.000 0.761 521 Q CB 1.547 30.265 28.738 -0.032 0.000 1.494 521 Q HN 0.367 nan 8.270 nan 0.000 0.439 522 K N 0.715 121.089 120.400 -0.044 0.000 2.113 522 K HA -0.116 4.204 4.320 -0.000 0.000 0.208 522 K C 1.759 178.336 176.600 -0.037 0.000 1.047 522 K CA 2.362 58.622 56.287 -0.045 0.000 0.928 522 K CB -0.802 31.677 32.500 -0.034 0.000 0.716 522 K HN 0.655 nan 8.250 nan 0.000 0.446 523 A N 0.518 123.321 122.820 -0.028 0.000 2.125 523 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 523 A C 1.315 178.882 177.584 -0.029 0.000 1.156 523 A CA 1.790 53.815 52.037 -0.021 0.000 0.671 523 A CB -0.361 18.631 19.000 -0.014 0.000 0.794 523 A HN 0.386 nan 8.150 nan 0.000 0.459 524 D N -0.498 119.876 120.400 -0.042 0.000 2.348 524 D HA 0.032 4.672 4.640 -0.000 0.000 0.211 524 D C 0.373 176.626 176.300 -0.078 0.000 0.998 524 D CA 0.269 54.236 54.000 -0.055 0.000 0.873 524 D CB -0.109 40.658 40.800 -0.054 0.000 0.925 524 D HN 0.293 nan 8.370 nan 0.000 0.524 525 M N 1.706 121.260 119.600 -0.076 0.000 2.268 525 M HA 0.057 4.537 4.480 -0.000 0.000 0.349 525 M C 0.063 176.298 176.300 -0.109 0.000 1.485 525 M CA -0.167 55.077 55.300 -0.093 0.000 1.094 525 M CB 0.812 33.366 32.600 -0.076 0.000 1.843 525 M HN -0.323 nan 8.290 nan 0.000 0.460 526 V N 6.201 126.004 119.914 -0.185 0.000 2.493 526 V HA -0.060 4.060 4.120 -0.000 0.000 0.292 526 V C 1.097 177.071 176.094 -0.200 0.000 1.016 526 V CA 0.240 62.352 62.300 -0.313 0.000 1.097 526 V CB -0.713 30.794 31.823 -0.527 0.000 0.947 526 V HN 0.901 nan 8.190 nan 0.000 0.479 527 H N 2.692 121.779 119.070 0.028 0.000 3.141 527 H HA -0.165 4.391 4.556 -0.000 0.000 0.260 527 H C 0.553 175.900 175.328 0.031 0.000 1.132 527 H CA 1.371 57.463 56.048 0.072 0.000 1.171 527 H CB -1.329 28.404 29.762 -0.048 0.000 1.274 527 H HN 0.850 nan 8.280 nan 0.000 0.329 528 N N -0.021 118.729 118.700 0.084 0.000 2.711 528 N HA 0.129 4.869 4.740 -0.000 0.000 0.263 528 N C 0.146 175.663 175.510 0.013 0.000 1.667 528 N CA 0.647 53.717 53.050 0.034 0.000 0.785 528 N CB 1.055 39.534 38.487 -0.013 0.000 1.231 528 N HN 0.292 nan 8.380 nan 0.000 0.503 529 S N -0.653 115.068 115.700 0.034 0.000 2.663 529 S HA 0.155 4.625 4.470 -0.000 0.000 0.243 529 S C 0.341 174.949 174.600 0.014 0.000 1.009 529 S CA -0.404 57.804 58.200 0.012 0.000 0.988 529 S CB 0.224 63.434 63.200 0.016 0.000 0.896 529 S HN 0.241 nan 8.310 nan 0.000 0.502 530 L N 2.665 123.902 121.223 0.024 0.000 2.455 530 L HA 0.363 4.703 4.340 -0.000 0.000 0.272 530 L C -0.121 176.751 176.870 0.003 0.000 1.174 530 L CA 0.889 55.741 54.840 0.020 0.000 0.869 530 L CB 0.487 42.566 42.059 0.032 0.000 1.130 530 L HN 0.320 nan 8.230 nan 0.000 0.474 531 Q N 6.958 126.752 119.800 -0.010 0.000 2.571 531 Q HA 0.377 4.717 4.340 -0.000 0.000 0.243 531 Q C -2.230 173.749 176.000 -0.035 0.000 1.055 531 Q CA -1.735 54.048 55.803 -0.034 0.000 0.815 531 Q CB 0.976 29.685 28.738 -0.049 0.000 1.151 531 Q HN 0.550 nan 8.270 nan 0.000 0.519 532 P HA 0.039 nan 4.420 nan 0.000 0.278 532 P C -0.550 176.728 177.300 -0.037 0.000 1.238 532 P CA -0.422 62.668 63.100 -0.017 0.000 0.794 532 P CB 0.864 32.567 31.700 0.006 0.000 0.955 533 N N 2.684 121.365 118.700 -0.031 0.000 2.739 533 N HA 0.135 4.875 4.740 -0.000 0.000 0.266 533 N C -0.582 174.914 175.510 -0.022 0.000 1.168 533 N CA -0.205 52.822 53.050 -0.038 0.000 1.055 533 N CB -1.034 37.435 38.487 -0.029 0.000 1.393 533 N HN 0.427 nan 8.380 nan 0.000 0.514 534 I N 2.022 122.579 120.570 -0.020 0.000 2.437 534 I HA 0.466 4.636 4.170 -0.000 0.000 0.298 534 I C -0.276 175.844 176.117 0.004 0.000 0.984 534 I CA -0.294 61.006 61.300 0.000 0.000 1.214 534 I CB 1.202 39.214 38.000 0.019 0.000 1.365 534 I HN 0.473 nan 8.210 nan 0.000 0.469 535 T N 3.655 118.215 114.554 0.010 0.000 2.903 535 T HA 0.670 5.020 4.350 -0.000 0.000 0.299 535 T C -1.024 173.686 174.700 0.018 0.000 1.093 535 T CA -0.728 61.378 62.100 0.011 0.000 1.002 535 T CB 1.778 70.649 68.868 0.004 0.000 1.127 535 T HN 0.271 nan 8.240 nan 0.000 0.488 536 V N 1.931 121.858 119.914 0.022 0.000 2.483 536 V HA 0.381 4.501 4.120 -0.000 0.000 0.297 536 V C -0.337 175.782 176.094 0.042 0.000 1.027 536 V CA -0.910 61.412 62.300 0.037 0.000 0.855 536 V CB 1.615 33.463 31.823 0.041 0.000 0.995 536 V HN 1.077 nan 8.190 nan 0.000 0.424 537 D N 3.771 124.201 120.400 0.049 0.000 2.382 537 D HA 0.158 4.798 4.640 -0.000 0.000 0.259 537 D C 1.220 177.566 176.300 0.077 0.000 1.224 537 D CA 0.538 54.557 54.000 0.033 0.000 0.894 537 D CB 1.987 42.790 40.800 0.006 0.000 1.127 537 D HN 0.689 nan 8.370 nan 0.000 0.487 538 A N 4.325 127.170 122.820 0.042 0.000 2.032 538 A HA -0.258 4.062 4.320 -0.000 0.000 0.221 538 A C 1.940 179.577 177.584 0.087 0.000 1.165 538 A CA 1.615 53.695 52.037 0.072 0.000 0.645 538 A CB -0.105 18.882 19.000 -0.022 0.000 0.807 538 A HN 0.730 nan 8.150 nan 0.000 0.453 539 Q N -1.610 118.161 119.800 -0.049 0.000 2.178 539 Q HA -0.030 4.310 4.340 -0.000 0.000 0.195 539 Q C 2.266 177.982 176.000 -0.473 0.000 0.960 539 Q CA 1.483 57.166 55.803 -0.200 0.000 0.843 539 Q CB -0.126 28.535 28.738 -0.128 0.000 0.927 539 Q HN 0.792 nan 8.270 nan 0.000 0.487 540 T N -2.879 111.497 114.554 -0.297 0.000 3.043 540 T HA -0.060 4.290 4.350 -0.000 0.000 0.263 540 T C -0.023 174.535 174.700 -0.238 0.000 1.094 540 T CA 0.359 62.278 62.100 -0.301 0.000 1.127 540 T CB -0.005 68.788 68.868 -0.124 0.000 0.905 540 T HN 0.290 nan 8.240 nan 0.000 0.490 541 Y N 0.469 120.755 120.300 -0.025 0.000 4.907 541 Y HA -0.171 4.379 4.550 -0.000 0.000 0.246 541 Y C 0.198 176.079 175.900 -0.032 0.000 0.968 541 Y CA -0.358 57.725 58.100 -0.029 0.000 1.961 541 Y CB -2.895 35.545 38.460 -0.033 0.000 1.487 541 Y HN 0.506 nan 8.280 nan 0.000 0.575 542 E N 0.501 120.757 120.200 0.094 0.000 2.376 542 E HA 0.363 4.713 4.350 -0.000 0.000 0.266 542 E C 0.044 176.666 176.600 0.037 0.000 1.009 542 E CA -0.180 56.247 56.400 0.045 0.000 0.902 542 E CB 1.172 30.881 29.700 0.015 0.000 0.972 542 E HN 0.024 nan 8.360 nan 0.000 0.439 543 V N 4.657 124.583 119.914 0.020 0.000 2.465 543 V HA 0.334 4.454 4.120 -0.000 0.000 0.279 543 V C 0.206 176.305 176.094 0.007 0.000 1.045 543 V CA -0.294 62.013 62.300 0.012 0.000 0.938 543 V CB 1.060 32.881 31.823 -0.003 0.000 0.986 543 V HN 0.617 nan 8.190 nan 0.000 0.467 544 R N 2.914 123.419 120.500 0.008 0.000 2.673 544 R HA 0.759 5.099 4.340 -0.000 0.000 0.281 544 R C -1.765 174.537 176.300 0.004 0.000 0.991 544 R CA -0.725 55.378 56.100 0.005 0.000 0.896 544 R CB 2.627 32.929 30.300 0.004 0.000 1.201 544 R HN 0.483 nan 8.270 nan 0.000 0.457 545 V N 3.091 123.007 119.914 0.003 0.000 2.407 545 V HA 0.169 4.289 4.120 -0.000 0.000 0.291 545 V C -0.323 175.771 176.094 -0.000 0.000 1.018 545 V CA -0.543 61.758 62.300 0.001 0.000 0.842 545 V CB 1.552 33.377 31.823 0.004 0.000 0.996 545 V HN 0.874 nan 8.190 nan 0.000 0.426 546 D N 4.331 124.729 120.400 -0.004 0.000 2.837 546 D HA -0.212 4.428 4.640 -0.000 0.000 0.230 546 D C 1.359 177.657 176.300 -0.002 0.000 1.152 546 D CA 1.754 55.752 54.000 -0.004 0.000 0.736 546 D CB -1.047 39.751 40.800 -0.003 0.000 1.084 546 D HN 1.378 nan 8.370 nan 0.000 0.429 547 G N -0.035 108.764 108.800 -0.002 0.000 2.284 547 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.247 547 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.247 547 G C 0.162 175.062 174.900 0.000 0.000 1.012 547 G CA 0.795 45.894 45.100 -0.001 0.000 0.618 547 G HN 0.710 nan 8.290 nan 0.000 0.521 548 E N 1.008 121.209 120.200 0.001 0.000 2.331 548 E HA 0.600 4.950 4.350 -0.000 0.000 0.272 548 E C 0.153 176.755 176.600 0.003 0.000 1.036 548 E CA -1.024 55.377 56.400 0.003 0.000 0.864 548 E CB 1.599 31.302 29.700 0.004 0.000 1.035 548 E HN 0.379 nan 8.360 nan 0.000 0.408 549 L N 4.039 125.265 121.223 0.004 0.000 2.410 549 L HA 0.205 4.545 4.340 -0.000 0.000 0.273 549 L C -0.865 176.008 176.870 0.005 0.000 1.152 549 L CA -0.109 54.734 54.840 0.004 0.000 0.855 549 L CB 0.578 42.640 42.059 0.005 0.000 1.129 549 L HN 0.596 nan 8.230 nan 0.000 0.463 550 I N 4.946 125.516 120.570 0.002 0.000 2.362 550 I HA 0.506 4.676 4.170 -0.000 0.000 0.289 550 I C 0.223 176.337 176.117 -0.005 0.000 0.994 550 I CA -0.115 61.184 61.300 -0.002 0.000 1.158 550 I CB 0.892 38.886 38.000 -0.010 0.000 1.315 550 I HN 0.702 nan 8.210 nan 0.000 0.451 551 T N 3.989 118.547 114.554 0.006 0.000 2.718 551 T HA 0.695 5.045 4.350 -0.000 0.000 0.306 551 T C -1.179 173.548 174.700 0.044 0.000 1.485 551 T CA -0.264 61.844 62.100 0.014 0.000 0.997 551 T CB 1.513 70.396 68.868 0.024 0.000 1.504 551 T HN 0.804 nan 8.240 nan 0.000 0.497 552 S N 0.769 116.523 115.700 0.090 0.000 2.643 552 S HA 0.762 5.232 4.470 -0.000 0.000 0.270 552 S C -1.812 172.916 174.600 0.213 0.000 1.166 552 S CA -0.962 57.316 58.200 0.130 0.000 0.815 552 S CB 1.906 65.187 63.200 0.135 0.000 1.139 552 S HN 0.658 nan 8.310 nan 0.000 0.472 553 E N 1.846 122.126 120.200 0.133 0.000 2.204 553 E HA 0.513 4.863 4.350 -0.000 0.000 0.276 553 E C -2.621 173.896 176.600 -0.139 0.000 0.974 553 E CA -2.252 54.172 56.400 0.040 0.000 0.815 553 E CB 1.580 31.280 29.700 0.000 0.000 1.119 553 E HN 0.493 nan 8.360 nan 0.000 0.393 554 P HA 0.112 nan 4.420 nan 0.000 0.276 554 P C -0.841 176.265 177.300 -0.323 0.000 1.235 554 P CA -0.210 62.404 63.100 -0.810 0.000 0.772 554 P CB 0.777 31.843 31.700 -1.056 0.000 0.871 555 A N 3.408 126.101 122.820 -0.212 0.000 2.388 555 A HA 0.208 4.528 4.320 -0.000 0.000 0.257 555 A C 1.269 178.805 177.584 -0.080 0.000 1.095 555 A CA -0.404 51.581 52.037 -0.087 0.000 0.791 555 A CB 0.084 19.073 19.000 -0.018 0.000 1.029 555 A HN 0.659 nan 8.150 nan 0.000 0.489 556 D N 0.867 121.239 120.400 -0.045 0.000 2.277 556 D HA 0.081 4.721 4.640 -0.000 0.000 0.209 556 D C 0.141 176.433 176.300 -0.014 0.000 0.970 556 D CA 0.625 54.605 54.000 -0.034 0.000 0.874 556 D CB 0.017 40.800 40.800 -0.027 0.000 0.982 556 D HN 0.212 nan 8.370 nan 0.000 0.504 557 V N 0.733 120.647 119.914 -0.001 0.000 2.971 557 V HA 0.439 4.559 4.120 -0.000 0.000 0.309 557 V C -0.662 175.439 176.094 0.012 0.000 1.130 557 V CA -0.898 61.406 62.300 0.007 0.000 0.964 557 V CB 2.774 34.602 31.823 0.009 0.000 1.029 557 V HN 0.059 nan 8.190 nan 0.000 0.427 558 L N 3.625 124.848 121.223 -0.000 0.000 2.371 558 L HA 0.653 4.993 4.340 -0.000 0.000 0.262 558 L C -2.518 174.314 176.870 -0.063 0.000 1.006 558 L CA -1.729 53.093 54.840 -0.030 0.000 0.818 558 L CB 2.882 44.938 42.059 -0.006 0.000 1.354 558 L HN 0.461 nan 8.230 nan 0.000 0.415 559 P HA 0.349 nan 4.420 nan 0.000 0.279 559 P C -0.304 176.999 177.300 0.005 0.000 1.282 559 P CA -0.545 62.474 63.100 -0.134 0.000 0.788 559 P CB 0.373 31.864 31.700 -0.349 0.000 1.139 560 M N -2.546 117.127 119.600 0.121 0.000 2.302 560 M HA -0.282 4.198 4.480 -0.000 0.000 0.200 560 M C 0.247 176.724 176.300 0.294 0.000 0.366 560 M CA 0.798 56.172 55.300 0.123 0.000 0.440 560 M CB -2.158 30.425 32.600 -0.029 0.000 1.475 560 M HN 0.496 nan 8.290 nan 0.000 0.905 561 A N -0.318 122.716 122.820 0.357 0.000 2.446 561 A HA 0.286 4.606 4.320 -0.000 0.000 0.199 561 A C 1.073 178.890 177.584 0.389 0.000 1.677 561 A CA 0.227 52.469 52.037 0.341 0.000 1.600 561 A CB 0.045 19.136 19.000 0.151 0.000 1.583 561 A HN 0.449 nan 8.150 nan 0.000 0.551 562 Q N -0.207 119.712 119.800 0.198 0.000 2.439 562 Q HA -0.094 4.246 4.340 -0.000 0.000 0.211 562 Q C 1.930 177.958 176.000 0.048 0.000 0.978 562 Q CA 1.242 57.126 55.803 0.134 0.000 0.897 562 Q CB -0.072 28.704 28.738 0.063 0.000 0.956 562 Q HN 0.544 nan 8.270 nan 0.000 0.483 563 R N -0.536 119.943 120.500 -0.035 0.000 2.236 563 R HA -0.095 4.245 4.340 -0.000 0.000 0.208 563 R C 0.690 176.728 176.300 -0.436 0.000 1.036 563 R CA 0.939 56.864 56.100 -0.291 0.000 1.001 563 R CB 0.296 30.306 30.300 -0.484 0.000 0.896 563 R HN 0.278 nan 8.270 nan 0.000 0.464 564 Y N -1.816 118.441 120.300 -0.072 0.000 2.483 564 Y HA 0.263 4.813 4.550 -0.000 0.000 0.258 564 Y C -0.132 175.518 175.900 -0.417 0.000 1.083 564 Y CA -0.466 57.486 58.100 -0.247 0.000 1.283 564 Y CB 0.569 38.772 38.460 -0.429 0.000 1.178 564 Y HN -0.163 nan 8.280 nan 0.000 0.515 565 F N 0.065 120.130 119.950 0.190 0.000 2.436 565 F HA 0.267 4.794 4.527 -0.000 0.000 0.340 565 F C 0.793 176.618 175.800 0.041 0.000 1.113 565 F CA -0.866 57.214 58.000 0.133 0.000 1.022 565 F CB 1.484 40.564 39.000 0.134 0.000 1.128 565 F HN -0.194 nan 8.300 nan 0.000 0.466 566 L N 2.670 124.002 121.223 0.182 0.000 2.201 566 L HA 0.106 4.446 4.340 -0.000 0.000 0.212 566 L C -0.480 176.195 176.870 -0.324 0.000 1.105 566 L CA 1.835 56.619 54.840 -0.094 0.000 0.775 566 L CB -0.431 41.571 42.059 -0.096 0.000 0.913 566 L HN 0.452 nan 8.230 nan 0.000 0.440 567 F N 0.000 120.043 119.950 0.156 0.000 2.286 567 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 567 F CA 0.000 58.053 58.000 0.088 0.000 1.383 567 F CB 0.000 39.032 39.000 0.054 0.000 1.145 567 F HN 0.000 nan 8.300 nan 0.000 0.574