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 1tkc_1_A DATA FIRST_RESID 3 DATA SEQUENCE QFTDIDKLAV STIRILAVDT VSKANSGHPG APLGMAPAAH VLWSQMRMNP DATA SEQUENCE TNPDWINRDR FVLSNGHAVA LLYSMLHLTG YDLSIEDLKQ FRQLGSRTPG DATA SEQUENCE HPEFELPGVE VTTGPLGQGI SNAVGMAMAQ ANLAATYNKP GFTLSDNYTY DATA SEQUENCE VFLGDGCLQE GISSEASSLA GHLKLGNLIA IYDDNKITID GATSISFDED DATA SEQUENCE VAKRYEAYGW EVLYVENGNE DLAGIAKAIA QAKLSKDKPT LIKMTTTIGY DATA SEQUENCE GSLHAGSHSV HGAPLKADDV KQLKSKFGFN PDKSFVVPQE VYDHYQKTIL DATA SEQUENCE KPGVEANNKW NKLFSEYQKK FPELGAELAR RLSGQLPANW ESKLPTYTAK DATA SEQUENCE DSAVATRKLS ETVLEDVYNQ LPELIGGSAD LTPSNLTRWK EALDFQPPSS DATA SEQUENCE GSGNYSGRYI RYGIREHAMG AIMNGISAFG ANYKPYGGTF LNFVSYAAGA DATA SEQUENCE VRLSALSGHP VIWVATHDSI GVGEDGPTHQ PIETLAHFRS LPNIQVWRPA DATA SEQUENCE DGNEVSAAYK NSLESKHTPS IIALSRQNLP QLEGSSIESA SKGGYVLQDV DATA SEQUENCE ANPDIILVAT GSEVSLSVEA AKTLAAKNIK ARVVSLPDFF TFDKQPLEYR DATA SEQUENCE LSVLPDNVPI MSVEVLATTC WGKYAHQSFG IDRFGASGKA PEVFKFFGFT DATA SEQUENCE PEGVAERAQK TIAFYKGDKL ISPLKKAF 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 3 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.714 176.000 -0.476 0.000 1.003 3 Q CA 0.000 55.568 55.803 -0.392 0.000 1.022 3 Q CB 0.000 28.645 28.738 -0.156 0.000 1.108 4 F N 2.457 122.430 119.950 0.038 0.000 2.390 4 F HA 0.446 4.973 4.527 0.001 0.000 0.361 4 F C 1.372 177.181 175.800 0.014 0.000 1.124 4 F CA 0.010 58.035 58.000 0.040 0.000 1.149 4 F CB 1.341 40.367 39.000 0.043 0.000 1.160 4 F HN 0.590 nan 8.300 nan 0.000 0.501 5 T N -1.833 112.803 114.554 0.137 0.000 2.891 5 T HA 0.182 4.532 4.350 0.001 0.000 0.294 5 T C 0.983 175.707 174.700 0.040 0.000 1.065 5 T CA -0.664 61.476 62.100 0.066 0.000 0.936 5 T CB 0.767 69.651 68.868 0.028 0.000 1.415 5 T HN 0.455 nan 8.240 nan 0.000 0.572 6 D N -0.327 120.074 120.400 0.002 0.000 2.224 6 D HA -0.032 4.608 4.640 0.001 0.000 0.205 6 D C 1.814 178.072 176.300 -0.070 0.000 0.965 6 D CA 0.574 54.560 54.000 -0.024 0.000 0.852 6 D CB -0.084 40.705 40.800 -0.018 0.000 0.947 6 D HN 0.344 nan 8.370 nan 0.000 0.494 7 I N 1.408 121.919 120.570 -0.098 0.000 2.546 7 I HA -0.157 4.013 4.170 0.001 0.000 0.255 7 I C 1.375 177.308 176.117 -0.307 0.000 1.163 7 I CA 1.234 62.413 61.300 -0.201 0.000 1.457 7 I CB -0.087 37.781 38.000 -0.220 0.000 1.092 7 I HN -0.198 nan 8.210 nan 0.000 0.434 8 D N 0.589 120.880 120.400 -0.181 0.000 2.178 8 D HA -0.149 4.492 4.640 0.001 0.000 0.202 8 D C 1.923 178.074 176.300 -0.247 0.000 0.974 8 D CA 0.993 54.926 54.000 -0.112 0.000 0.841 8 D CB 0.056 41.048 40.800 0.319 0.000 0.953 8 D HN 0.443 nan 8.370 nan 0.000 0.478 9 K N 0.163 120.470 120.400 -0.155 0.000 2.243 9 K HA -0.021 4.299 4.320 0.001 0.000 0.201 9 K C 1.959 178.450 176.600 -0.182 0.000 1.051 9 K CA 0.017 56.203 56.287 -0.168 0.000 0.970 9 K CB 0.176 32.625 32.500 -0.085 0.000 0.755 9 K HN -0.011 nan 8.250 nan 0.000 0.465 10 L N 1.182 122.307 121.223 -0.163 0.000 2.072 10 L HA -0.000 4.340 4.340 0.001 0.000 0.205 10 L C 2.152 178.927 176.870 -0.157 0.000 1.079 10 L CA 1.516 56.292 54.840 -0.106 0.000 0.752 10 L CB -0.664 41.336 42.059 -0.099 0.000 0.906 10 L HN 0.080 nan 8.230 nan 0.000 0.436 11 A N -0.675 121.961 122.820 -0.305 0.000 1.873 11 A HA -0.210 4.110 4.320 0.001 0.000 0.218 11 A C 2.255 179.648 177.584 -0.318 0.000 1.193 11 A CA 2.391 54.222 52.037 -0.343 0.000 0.629 11 A CB -1.312 17.341 19.000 -0.578 0.000 0.826 11 A HN 0.302 nan 8.150 nan 0.000 0.447 12 V N 0.226 119.870 119.914 -0.451 0.000 2.568 12 V HA -0.221 3.899 4.120 0.001 0.000 0.253 12 V C 2.682 178.555 176.094 -0.370 0.000 1.072 12 V CA 2.257 64.339 62.300 -0.364 0.000 1.084 12 V CB -0.689 30.909 31.823 -0.375 0.000 0.676 12 V HN 0.596 nan 8.190 nan 0.000 0.469 13 S N -0.568 114.904 115.700 -0.380 0.000 2.377 13 S HA -0.141 4.329 4.470 0.001 0.000 0.223 13 S C 2.074 176.365 174.600 -0.516 0.000 1.030 13 S CA 1.566 59.431 58.200 -0.559 0.000 0.970 13 S CB -0.314 62.680 63.200 -0.344 0.000 0.830 13 S HN 0.654 nan 8.310 nan 0.000 0.473 14 T N 3.042 117.445 114.554 -0.253 0.000 2.746 14 T HA 0.045 4.396 4.350 0.001 0.000 0.267 14 T C 1.758 176.340 174.700 -0.196 0.000 1.039 14 T CA 1.025 63.017 62.100 -0.179 0.000 1.142 14 T CB -0.446 68.451 68.868 0.049 0.000 0.866 14 T HN 0.285 nan 8.240 nan 0.000 0.444 15 I N 0.840 121.312 120.570 -0.164 0.000 2.127 15 I HA -0.221 3.950 4.170 0.001 0.000 0.241 15 I C 2.829 178.841 176.117 -0.175 0.000 1.075 15 I CA 1.484 62.700 61.300 -0.139 0.000 1.334 15 I CB -0.347 37.580 38.000 -0.122 0.000 1.040 15 I HN 0.147 nan 8.210 nan 0.000 0.405 16 R N 0.538 120.904 120.500 -0.224 0.000 2.092 16 R HA -0.061 4.279 4.340 0.001 0.000 0.231 16 R C 2.276 178.474 176.300 -0.171 0.000 1.119 16 R CA 1.283 57.279 56.100 -0.173 0.000 0.970 16 R CB -0.288 29.908 30.300 -0.174 0.000 0.864 16 R HN 0.392 nan 8.270 nan 0.000 0.440 17 I N 0.476 120.885 120.570 -0.268 0.000 2.406 17 I HA -0.205 3.965 4.170 0.001 0.000 0.249 17 I C 2.222 178.183 176.117 -0.260 0.000 1.122 17 I CA 0.554 61.695 61.300 -0.266 0.000 1.431 17 I CB -0.161 37.566 38.000 -0.455 0.000 1.087 17 I HN 0.091 nan 8.210 nan 0.000 0.424 18 L N 1.350 122.429 121.223 -0.241 0.000 2.093 18 L HA -0.107 4.234 4.340 0.001 0.000 0.208 18 L C 2.594 179.331 176.870 -0.223 0.000 1.085 18 L CA 1.973 56.671 54.840 -0.237 0.000 0.755 18 L CB -0.711 41.284 42.059 -0.107 0.000 0.904 18 L HN 0.179 nan 8.230 nan 0.000 0.435 19 A N -1.329 121.392 122.820 -0.165 0.000 1.877 19 A HA -0.152 4.169 4.320 0.001 0.000 0.216 19 A C 2.286 179.784 177.584 -0.142 0.000 1.186 19 A CA 1.934 53.882 52.037 -0.148 0.000 0.620 19 A CB -1.090 17.841 19.000 -0.115 0.000 0.822 19 A HN 0.259 nan 8.150 nan 0.000 0.443 20 V N 0.642 120.478 119.914 -0.131 0.000 2.332 20 V HA -0.254 3.866 4.120 0.001 0.000 0.248 20 V C 2.161 178.169 176.094 -0.142 0.000 1.055 20 V CA 2.379 64.617 62.300 -0.103 0.000 1.038 20 V CB -0.711 31.060 31.823 -0.088 0.000 0.651 20 V HN 0.515 nan 8.190 nan 0.000 0.450 21 D N -0.538 119.698 120.400 -0.274 0.000 2.178 21 D HA -0.108 4.533 4.640 0.001 0.000 0.202 21 D C 2.265 178.406 176.300 -0.264 0.000 0.974 21 D CA 1.578 55.331 54.000 -0.411 0.000 0.841 21 D CB -0.138 40.102 40.800 -0.933 0.000 0.953 21 D HN 0.401 nan 8.370 nan 0.000 0.478 22 T N 0.584 115.034 114.554 -0.173 0.000 2.746 22 T HA -0.096 4.254 4.350 0.001 0.000 0.267 22 T C 2.243 177.078 174.700 0.224 0.000 1.039 22 T CA 0.809 62.994 62.100 0.143 0.000 1.142 22 T CB -0.179 68.655 68.868 -0.057 0.000 0.866 22 T HN -0.031 nan 8.240 nan 0.000 0.444 23 V N 1.315 121.295 119.914 0.110 0.000 2.229 23 V HA -0.138 3.983 4.120 0.001 0.000 0.243 23 V C 2.689 178.889 176.094 0.177 0.000 1.042 23 V CA 1.822 64.256 62.300 0.223 0.000 1.000 23 V CB -0.946 30.943 31.823 0.110 0.000 0.637 23 V HN 0.397 nan 8.190 nan 0.000 0.446 24 S N -0.675 115.081 115.700 0.092 0.000 2.419 24 S HA -0.262 4.209 4.470 0.001 0.000 0.235 24 S C 1.956 176.626 174.600 0.116 0.000 1.019 24 S CA 1.885 60.130 58.200 0.074 0.000 0.982 24 S CB -0.327 62.889 63.200 0.027 0.000 0.789 24 S HN 0.576 nan 8.310 nan 0.000 0.490 25 K N 1.586 122.100 120.400 0.191 0.000 1.985 25 K HA -0.020 4.301 4.320 0.001 0.000 0.210 25 K C 2.184 178.884 176.600 0.166 0.000 1.047 25 K CA 1.224 57.645 56.287 0.225 0.000 0.932 25 K CB -0.400 32.322 32.500 0.371 0.000 0.716 25 K HN 0.278 nan 8.250 nan 0.000 0.439 26 A N 1.286 124.230 122.820 0.206 0.000 2.125 26 A HA -0.190 4.130 4.320 0.001 0.000 0.219 26 A C 0.669 178.287 177.584 0.058 0.000 1.156 26 A CA 1.280 53.395 52.037 0.130 0.000 0.671 26 A CB -0.759 18.338 19.000 0.162 0.000 0.794 26 A HN 0.776 nan 8.150 nan 0.000 0.459 27 N N -0.913 117.831 118.700 0.072 0.000 2.714 27 N HA -0.188 4.553 4.740 0.001 0.000 0.253 27 N C -0.451 175.060 175.510 0.001 0.000 1.024 27 N CA 0.802 53.873 53.050 0.035 0.000 0.726 27 N CB -1.066 37.435 38.487 0.024 0.000 0.908 27 N HN 0.660 nan 8.380 nan 0.000 0.542 28 S N -0.706 114.997 115.700 0.005 0.000 2.669 28 S HA 0.631 5.101 4.470 0.001 0.000 0.304 28 S C -0.443 174.142 174.600 -0.025 0.000 1.021 28 S CA 0.488 58.658 58.200 -0.051 0.000 0.854 28 S CB 1.280 64.426 63.200 -0.091 0.000 1.048 28 S HN 1.128 nan 8.310 nan 0.000 0.452 29 G N 2.949 111.683 108.800 -0.111 0.000 2.369 29 G HA2 0.323 4.283 3.960 0.001 0.000 0.295 29 G HA3 0.323 4.283 3.960 0.001 0.000 0.295 29 G C -2.193 172.540 174.900 -0.278 0.000 1.298 29 G CA -0.841 44.242 45.100 -0.028 0.000 0.940 29 G HN 0.980 nan 8.290 nan 0.000 0.536 30 H N 1.129 120.245 119.070 0.077 0.000 2.638 30 H HA 0.540 5.097 4.556 0.001 0.000 0.317 30 H C -1.537 173.811 175.328 0.033 0.000 1.006 30 H CA -1.355 54.688 56.048 -0.009 0.000 1.222 30 H CB 2.458 32.218 29.762 -0.004 0.000 1.419 30 H HN 0.342 nan 8.280 nan 0.000 0.489 31 P HA 0.017 nan 4.420 nan 0.000 0.226 31 P C 1.529 178.885 177.300 0.094 0.000 1.160 31 P CA 0.699 63.840 63.100 0.069 0.000 0.837 31 P CB 0.545 32.265 31.700 0.034 0.000 0.860 32 G N 1.554 110.427 108.800 0.121 0.000 2.639 32 G HA2 -0.300 3.660 3.960 0.001 0.000 0.216 32 G HA3 -0.300 3.660 3.960 0.001 0.000 0.216 32 G C 1.854 176.849 174.900 0.158 0.000 1.267 32 G CA 1.750 46.939 45.100 0.147 0.000 0.801 32 G HN 0.319 nan 8.290 nan 0.000 0.592 33 A N 1.773 124.719 122.820 0.209 0.000 1.892 33 A HA -0.038 4.283 4.320 0.001 0.000 0.218 33 A C 1.047 178.693 177.584 0.103 0.000 1.188 33 A CA 2.566 54.703 52.037 0.167 0.000 0.631 33 A CB -1.403 17.737 19.000 0.233 0.000 0.822 33 A HN 0.447 nan 8.150 nan 0.000 0.447 34 P HA -0.196 nan 4.420 nan 0.000 0.214 34 P C 1.619 178.937 177.300 0.031 0.000 1.163 34 P CA 1.209 64.336 63.100 0.046 0.000 0.889 34 P CB -0.309 31.399 31.700 0.013 0.000 0.790 35 L N -0.862 120.390 121.223 0.048 0.000 2.081 35 L HA -0.149 4.192 4.340 0.001 0.000 0.212 35 L C 2.794 179.716 176.870 0.087 0.000 1.080 35 L CA 2.018 56.900 54.840 0.070 0.000 0.754 35 L CB -1.336 40.788 42.059 0.110 0.000 0.893 35 L HN 0.114 nan 8.230 nan 0.000 0.433 36 G N -1.389 107.456 108.800 0.075 0.000 2.459 36 G HA2 -0.103 3.857 3.960 0.001 0.000 0.213 36 G HA3 -0.103 3.857 3.960 0.001 0.000 0.213 36 G C 1.540 176.408 174.900 -0.054 0.000 1.155 36 G CA 0.019 45.139 45.100 0.033 0.000 0.811 36 G HN 0.160 nan 8.290 nan 0.000 0.534 37 M N 0.966 120.538 119.600 -0.047 0.000 2.558 37 M HA 0.191 4.671 4.480 0.001 0.000 0.255 37 M C 2.879 179.164 176.300 -0.026 0.000 1.113 37 M CA 0.598 55.837 55.300 -0.102 0.000 1.097 37 M CB -0.095 32.431 32.600 -0.123 0.000 1.426 37 M HN 0.301 nan 8.290 nan 0.000 0.488 38 A N 1.904 124.711 122.820 -0.021 0.000 1.903 38 A HA -0.162 4.158 4.320 0.001 0.000 0.219 38 A C -0.353 177.206 177.584 -0.042 0.000 1.191 38 A CA 1.834 53.850 52.037 -0.036 0.000 0.638 38 A CB -2.070 16.876 19.000 -0.090 0.000 0.823 38 A HN 0.288 nan 8.150 nan 0.000 0.451 39 P HA -0.196 nan 4.420 nan 0.000 0.217 39 P C 1.683 178.967 177.300 -0.027 0.000 1.151 39 P CA 2.189 65.225 63.100 -0.108 0.000 0.849 39 P CB -0.119 31.468 31.700 -0.188 0.000 0.787 40 A N -0.461 122.356 122.820 -0.004 0.000 1.898 40 A HA 0.033 4.354 4.320 0.001 0.000 0.214 40 A C 2.302 180.072 177.584 0.311 0.000 1.183 40 A CA 1.664 53.755 52.037 0.091 0.000 0.622 40 A CB -1.488 17.495 19.000 -0.028 0.000 0.824 40 A HN 0.175 nan 8.150 nan 0.000 0.444 41 A N -0.828 122.214 122.820 0.370 0.000 1.933 41 A HA -0.173 4.148 4.320 0.001 0.000 0.218 41 A C 2.006 179.655 177.584 0.108 0.000 1.175 41 A CA 2.163 54.356 52.037 0.261 0.000 0.628 41 A CB -0.801 18.225 19.000 0.044 0.000 0.814 41 A HN 0.748 nan 8.150 nan 0.000 0.444 42 H N -0.337 118.748 119.070 0.026 0.000 2.276 42 H HA -0.060 4.496 4.556 0.000 0.000 0.301 42 H C 1.901 177.323 175.328 0.156 0.000 1.073 42 H CA 2.100 58.200 56.048 0.086 0.000 1.311 42 H CB -0.331 29.462 29.762 0.051 0.000 1.379 42 H HN 0.090 nan 8.280 nan 0.000 0.494 43 V N 0.590 120.538 119.914 0.056 0.000 2.392 43 V HA -0.232 3.889 4.120 0.001 0.000 0.249 43 V C 2.584 178.705 176.094 0.045 0.000 1.059 43 V CA 1.723 64.046 62.300 0.039 0.000 1.051 43 V CB -0.763 31.057 31.823 -0.006 0.000 0.658 43 V HN 0.378 nan 8.190 nan 0.000 0.455 44 L N -0.918 120.343 121.223 0.064 0.000 2.023 44 L HA -0.058 4.282 4.340 0.001 0.000 0.205 44 L C 2.081 178.892 176.870 -0.099 0.000 1.073 44 L CA 1.973 56.780 54.840 -0.054 0.000 0.745 44 L CB -0.746 41.319 42.059 0.010 0.000 0.900 44 L HN 0.359 nan 8.230 nan 0.000 0.435 45 W N 0.002 121.141 121.300 -0.268 0.000 2.350 45 W HA -0.115 4.545 4.660 0.000 0.000 0.289 45 W C 2.813 179.240 176.519 -0.153 0.000 1.215 45 W CA 1.481 58.672 57.345 -0.256 0.000 1.236 45 W CB -1.125 28.153 29.460 -0.302 0.000 1.130 45 W HN 0.120 nan 8.180 nan 0.000 0.541 46 S N -0.820 114.929 115.700 0.080 0.000 2.447 46 S HA -0.169 4.302 4.470 0.001 0.000 0.233 46 S C 1.727 176.343 174.600 0.028 0.000 1.006 46 S CA 1.296 59.533 58.200 0.063 0.000 0.957 46 S CB -0.207 62.986 63.200 -0.012 0.000 0.773 46 S HN 0.289 nan 8.310 nan 0.000 0.507 47 Q N 0.256 120.047 119.800 -0.013 0.000 2.217 47 Q HA 0.292 4.633 4.340 0.001 0.000 0.217 47 Q C -0.194 175.768 176.000 -0.063 0.000 0.844 47 Q CA -0.039 55.745 55.803 -0.032 0.000 0.957 47 Q CB 0.157 28.874 28.738 -0.035 0.000 1.127 47 Q HN 0.446 nan 8.270 nan 0.000 0.503 48 M N 1.518 121.059 119.600 -0.099 0.000 2.209 48 M HA 0.325 4.806 4.480 0.001 0.000 0.355 48 M C 0.060 176.356 176.300 -0.007 0.000 1.171 48 M CA -0.322 54.924 55.300 -0.091 0.000 1.069 48 M CB 1.382 33.825 32.600 -0.262 0.000 1.622 48 M HN -0.144 nan 8.290 nan 0.000 0.459 49 R N 5.733 126.272 120.500 0.065 0.000 2.429 49 R HA 0.349 4.690 4.340 0.001 0.000 0.302 49 R C -0.878 175.495 176.300 0.122 0.000 1.268 49 R CA 0.093 56.262 56.100 0.116 0.000 1.090 49 R CB 0.121 30.505 30.300 0.140 0.000 1.102 49 R HN 0.725 nan 8.270 nan 0.000 0.522 50 M N 1.020 120.712 119.600 0.153 0.000 2.719 50 M HA 0.513 4.993 4.480 0.001 0.000 0.291 50 M C -1.347 175.078 176.300 0.209 0.000 1.264 50 M CA -1.150 54.257 55.300 0.177 0.000 0.811 50 M CB 2.143 34.768 32.600 0.042 0.000 1.756 50 M HN 0.173 nan 8.290 nan 0.000 0.464 51 N N 0.736 119.532 118.700 0.159 0.000 2.576 51 N HA 0.490 5.231 4.740 0.001 0.000 0.269 51 N C -2.667 172.741 175.510 -0.171 0.000 1.058 51 N CA -1.876 51.157 53.050 -0.029 0.000 0.860 51 N CB 1.878 40.299 38.487 -0.109 0.000 1.249 51 N HN 0.332 nan 8.380 nan 0.000 0.525 52 P HA -0.050 nan 4.420 nan 0.000 0.225 52 P C 0.740 177.766 177.300 -0.456 0.000 1.148 52 P CA 1.202 63.771 63.100 -0.885 0.000 0.779 52 P CB 0.168 31.298 31.700 -0.949 0.000 0.780 53 T N -5.464 108.946 114.554 -0.240 0.000 3.148 53 T HA 0.018 4.369 4.350 0.001 0.000 0.253 53 T C 0.619 175.260 174.700 -0.099 0.000 1.134 53 T CA -0.051 61.962 62.100 -0.144 0.000 1.051 53 T CB -0.685 68.118 68.868 -0.109 0.000 0.959 53 T HN 0.095 nan 8.240 nan 0.000 0.525 54 N N 0.990 119.637 118.700 -0.088 0.000 2.839 54 N HA 0.189 4.929 4.740 0.001 0.000 0.230 54 N C -3.036 172.495 175.510 0.034 0.000 1.388 54 N CA -1.184 51.849 53.050 -0.029 0.000 0.747 54 N CB 1.682 40.137 38.487 -0.054 0.000 1.411 54 N HN -0.053 nan 8.380 nan 0.000 0.556 55 P HA 0.117 nan 4.420 nan 0.000 0.251 55 P C -0.303 177.040 177.300 0.072 0.000 1.251 55 P CA 0.719 63.909 63.100 0.150 0.000 0.763 55 P CB 0.190 32.027 31.700 0.227 0.000 1.067 56 D N -3.157 117.266 120.400 0.039 0.000 2.527 56 D HA 0.027 4.667 4.640 0.001 0.000 0.224 56 D C -0.118 176.159 176.300 -0.038 0.000 1.217 56 D CA -0.388 53.601 54.000 -0.019 0.000 0.819 56 D CB -0.099 40.691 40.800 -0.016 0.000 1.061 56 D HN 0.121 nan 8.370 nan 0.000 0.515 57 W N 2.264 123.425 121.300 -0.232 0.000 2.343 57 W HA -0.031 4.630 4.660 0.001 0.000 0.337 57 W C 1.177 177.405 176.519 -0.486 0.000 1.320 57 W CA -0.836 56.284 57.345 -0.375 0.000 1.290 57 W CB 0.327 29.583 29.460 -0.340 0.000 1.206 57 W HN -0.118 nan 8.180 nan 0.000 0.565 58 I N 5.085 125.285 120.570 -0.615 0.000 2.454 58 I HA -0.218 3.953 4.170 0.001 0.000 0.254 58 I C 1.494 177.070 176.117 -0.902 0.000 1.156 58 I CA 1.456 62.333 61.300 -0.706 0.000 1.433 58 I CB -0.716 36.971 38.000 -0.523 0.000 1.082 58 I HN 0.581 nan 8.210 nan 0.000 0.432 59 N N 0.868 118.690 118.700 -1.463 0.000 2.376 59 N HA 0.054 4.795 4.740 0.001 0.000 0.249 59 N C 0.051 174.657 175.510 -1.506 0.000 1.140 59 N CA -0.245 52.032 53.050 -1.288 0.000 0.870 59 N CB -0.138 37.676 38.487 -1.121 0.000 1.124 59 N HN 0.301 nan 8.380 nan 0.000 0.505 60 R N -0.182 119.586 120.500 -1.219 0.000 2.438 60 R HA 0.167 4.507 4.340 0.001 0.000 0.287 60 R C -1.012 175.031 176.300 -0.427 0.000 1.077 60 R CA -0.374 55.260 56.100 -0.776 0.000 1.034 60 R CB 0.428 30.503 30.300 -0.376 0.000 0.993 60 R HN -0.026 nan 8.270 nan 0.000 0.459 61 D N 3.201 123.455 120.400 -0.243 0.000 2.450 61 D HA 0.066 4.706 4.640 0.001 0.000 0.247 61 D C -0.078 176.183 176.300 -0.064 0.000 1.162 61 D CA 0.376 54.330 54.000 -0.076 0.000 0.879 61 D CB 0.688 41.557 40.800 0.115 0.000 1.163 61 D HN 0.353 nan 8.370 nan 0.000 0.472 62 R N 1.563 122.035 120.500 -0.047 0.000 2.486 62 R HA 0.538 4.879 4.340 0.001 0.000 0.286 62 R C -0.553 175.813 176.300 0.110 0.000 0.999 62 R CA -0.808 55.286 56.100 -0.010 0.000 0.993 62 R CB 1.372 31.651 30.300 -0.035 0.000 1.084 62 R HN 0.370 nan 8.270 nan 0.000 0.487 63 F N 2.050 121.954 119.950 -0.078 0.000 2.547 63 F HA 0.470 4.998 4.527 0.002 0.000 0.316 63 F C -1.417 174.366 175.800 -0.028 0.000 1.121 63 F CA -0.809 57.159 58.000 -0.054 0.000 0.911 63 F CB 1.464 40.348 39.000 -0.193 0.000 1.179 63 F HN 0.129 nan 8.300 nan 0.000 0.443 64 V N 7.171 126.742 119.914 -0.571 0.000 2.444 64 V HA 0.322 4.442 4.120 0.001 0.000 0.294 64 V C -0.726 174.931 176.094 -0.729 0.000 1.022 64 V CA -0.814 61.229 62.300 -0.429 0.000 0.850 64 V CB 1.636 33.353 31.823 -0.176 0.000 0.992 64 V HN 0.729 nan 8.190 nan 0.000 0.426 65 L N 4.757 125.661 121.223 -0.531 0.000 2.401 65 L HA 0.285 4.625 4.340 0.001 0.000 0.283 65 L C 1.570 178.359 176.870 -0.135 0.000 1.151 65 L CA 0.888 55.528 54.840 -0.333 0.000 0.942 65 L CB 0.894 42.922 42.059 -0.051 0.000 1.283 65 L HN 0.747 nan 8.230 nan 0.000 0.442 66 S N 3.422 119.063 115.700 -0.099 0.000 2.370 66 S HA -0.164 4.306 4.470 0.001 0.000 0.226 66 S C 0.988 175.565 174.600 -0.039 0.000 1.033 66 S CA 1.372 59.544 58.200 -0.046 0.000 1.011 66 S CB -0.466 62.719 63.200 -0.025 0.000 0.852 66 S HN 0.914 nan 8.310 nan 0.000 0.457 67 N N 0.403 119.073 118.700 -0.051 0.000 2.895 67 N HA 0.250 4.990 4.740 0.001 0.000 0.277 67 N C 0.978 176.342 175.510 -0.242 0.000 1.185 67 N CA 0.173 53.126 53.050 -0.162 0.000 1.106 67 N CB 0.663 39.019 38.487 -0.218 0.000 1.422 67 N HN 0.252 nan 8.380 nan 0.000 0.521 68 G N 1.367 110.117 108.800 -0.083 0.000 2.537 68 G HA2 -0.330 3.631 3.960 0.001 0.000 0.220 68 G HA3 -0.330 3.631 3.960 0.001 0.000 0.220 68 G C 1.249 176.214 174.900 0.109 0.000 1.111 68 G CA 0.563 45.682 45.100 0.032 0.000 0.748 68 G HN 0.866 nan 8.290 nan 0.000 0.564 69 H N -0.964 118.173 119.070 0.111 0.000 2.529 69 H HA 0.318 4.874 4.556 0.001 0.000 0.277 69 H C 2.047 177.351 175.328 -0.041 0.000 0.999 69 H CA 0.619 56.646 56.048 -0.035 0.000 1.256 69 H CB -0.231 29.227 29.762 -0.506 0.000 1.402 69 H HN 0.255 nan 8.280 nan 0.000 0.566 70 A N 2.277 124.998 122.820 -0.165 0.000 2.310 70 A HA 0.216 4.537 4.320 0.001 0.000 0.230 70 A C 2.238 179.779 177.584 -0.071 0.000 1.294 70 A CA 0.335 52.349 52.037 -0.038 0.000 0.898 70 A CB -0.953 18.017 19.000 -0.050 0.000 0.917 70 A HN 0.323 nan 8.150 nan 0.000 0.491 71 V N -1.896 117.941 119.914 -0.129 0.000 2.380 71 V HA -0.326 3.795 4.120 0.001 0.000 0.251 71 V C 2.613 178.380 176.094 -0.544 0.000 1.063 71 V CA 2.048 64.124 62.300 -0.373 0.000 1.055 71 V CB -1.730 29.778 31.823 -0.525 0.000 0.657 71 V HN 0.541 nan 8.190 nan 0.000 0.455 72 A N 0.467 123.022 122.820 -0.442 0.000 2.024 72 A HA -0.153 4.167 4.320 0.001 0.000 0.220 72 A C 2.163 179.615 177.584 -0.219 0.000 1.164 72 A CA 2.160 53.944 52.037 -0.422 0.000 0.643 72 A CB -0.578 18.194 19.000 -0.380 0.000 0.806 72 A HN 0.567 nan 8.150 nan 0.000 0.451 73 L N -1.052 120.079 121.223 -0.153 0.000 2.056 73 L HA -0.046 4.295 4.340 0.001 0.000 0.207 73 L C 2.188 178.970 176.870 -0.148 0.000 1.078 73 L CA 1.852 56.628 54.840 -0.107 0.000 0.749 73 L CB -0.496 41.562 42.059 -0.002 0.000 0.901 73 L HN 0.324 nan 8.230 nan 0.000 0.433 74 L N -1.575 119.574 121.223 -0.124 0.000 2.093 74 L HA -0.188 4.153 4.340 0.001 0.000 0.208 74 L C 2.312 179.178 176.870 -0.006 0.000 1.085 74 L CA 1.732 56.526 54.840 -0.076 0.000 0.755 74 L CB -0.870 41.204 42.059 0.026 0.000 0.904 74 L HN 0.265 nan 8.230 nan 0.000 0.435 75 Y N -0.423 119.822 120.300 -0.092 0.000 2.145 75 Y HA -0.147 4.404 4.550 0.001 0.000 0.286 75 Y C 2.885 178.745 175.900 -0.066 0.000 1.145 75 Y CA 1.029 59.087 58.100 -0.071 0.000 1.148 75 Y CB -1.257 37.136 38.460 -0.112 0.000 0.981 75 Y HN 0.215 nan 8.280 nan 0.000 0.507 76 S N -0.474 115.253 115.700 0.044 0.000 2.356 76 S HA -0.193 4.277 4.470 0.001 0.000 0.223 76 S C 2.132 176.668 174.600 -0.107 0.000 1.032 76 S CA 1.380 59.580 58.200 -0.000 0.000 1.005 76 S CB -0.253 62.907 63.200 -0.067 0.000 0.867 76 S HN 0.259 nan 8.310 nan 0.000 0.449 77 M N 1.176 120.572 119.600 -0.339 0.000 2.108 77 M HA 0.011 4.492 4.480 0.001 0.000 0.261 77 M C 2.063 178.071 176.300 -0.486 0.000 1.066 77 M CA 1.282 56.155 55.300 -0.711 0.000 1.107 77 M CB -1.635 29.963 32.600 -1.669 0.000 1.356 77 M HN 0.279 nan 8.290 nan 0.000 0.406 78 L N -1.257 119.821 121.223 -0.241 0.000 2.079 78 L HA -0.277 4.064 4.340 0.001 0.000 0.210 78 L C 2.634 179.628 176.870 0.207 0.000 1.081 78 L CA 1.567 56.442 54.840 0.058 0.000 0.752 78 L CB -0.821 41.277 42.059 0.065 0.000 0.896 78 L HN 0.363 nan 8.230 nan 0.000 0.433 79 H N 0.172 119.294 119.070 0.087 0.000 2.333 79 H HA -0.082 4.475 4.556 0.001 0.000 0.302 79 H C 2.096 177.546 175.328 0.203 0.000 1.075 79 H CA 1.508 57.643 56.048 0.144 0.000 1.348 79 H CB -0.070 29.770 29.762 0.130 0.000 1.393 79 H HN 0.149 nan 8.280 nan 0.000 0.509 80 L N -0.014 121.150 121.223 -0.098 0.000 2.141 80 L HA -0.056 4.285 4.340 0.001 0.000 0.209 80 L C 1.955 178.844 176.870 0.032 0.000 1.094 80 L CA 1.559 56.368 54.840 -0.052 0.000 0.763 80 L CB -0.504 41.573 42.059 0.029 0.000 0.908 80 L HN 0.443 nan 8.230 nan 0.000 0.437 81 T N -3.019 111.506 114.554 -0.048 0.000 3.188 81 T HA 0.312 4.662 4.350 0.001 0.000 0.250 81 T C 1.255 176.008 174.700 0.088 0.000 1.077 81 T CA 0.249 62.353 62.100 0.006 0.000 0.967 81 T CB 0.201 69.102 68.868 0.055 0.000 1.006 81 T HN 0.452 nan 8.240 nan 0.000 0.552 82 G N 0.553 109.398 108.800 0.076 0.000 2.182 82 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 82 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 82 G C -0.181 174.694 174.900 -0.041 0.000 1.042 82 G CA -0.171 44.935 45.100 0.011 0.000 0.775 82 G HN 0.610 nan 8.290 nan 0.000 0.501 83 Y N -0.390 119.950 120.300 0.068 0.000 2.282 83 Y HA 0.450 5.001 4.550 0.001 0.000 0.335 83 Y C 1.034 176.978 175.900 0.073 0.000 1.335 83 Y CA -0.015 58.132 58.100 0.078 0.000 1.529 83 Y CB 0.612 39.141 38.460 0.116 0.000 1.429 83 Y HN 0.127 nan 8.280 nan 0.000 0.563 84 D N 1.661 122.203 120.400 0.237 0.000 2.483 84 D HA 0.337 4.977 4.640 0.001 0.000 0.220 84 D C -1.720 174.658 176.300 0.132 0.000 1.173 84 D CA 0.229 54.313 54.000 0.140 0.000 0.964 84 D CB -0.551 40.305 40.800 0.093 0.000 1.046 84 D HN 0.329 nan 8.370 nan 0.000 0.517 85 L N 2.331 123.650 121.223 0.159 0.000 2.545 85 L HA 0.491 4.832 4.340 0.001 0.000 0.258 85 L C -0.822 176.133 176.870 0.141 0.000 0.942 85 L CA -0.339 54.563 54.840 0.103 0.000 0.855 85 L CB 1.819 43.933 42.059 0.091 0.000 1.374 85 L HN 0.283 nan 8.230 nan 0.000 0.411 86 S N 3.604 119.297 115.700 -0.011 0.000 2.806 86 S HA 0.583 5.053 4.470 0.001 0.000 0.315 86 S C 0.919 175.323 174.600 -0.326 0.000 1.127 86 S CA -0.877 57.252 58.200 -0.119 0.000 0.918 86 S CB 1.017 64.192 63.200 -0.041 0.000 1.240 86 S HN 0.538 nan 8.310 nan 0.000 0.552 87 I N 0.605 120.957 120.570 -0.364 0.000 2.493 87 I HA -0.036 4.134 4.170 0.001 0.000 0.254 87 I C 2.385 178.357 176.117 -0.242 0.000 1.160 87 I CA 1.456 62.592 61.300 -0.273 0.000 1.445 87 I CB -1.087 36.846 38.000 -0.112 0.000 1.086 87 I HN 0.791 nan 8.210 nan 0.000 0.433 88 E N 0.895 120.985 120.200 -0.184 0.000 2.112 88 E HA -0.162 4.188 4.350 0.001 0.000 0.190 88 E C 1.774 178.286 176.600 -0.146 0.000 0.979 88 E CA 0.818 57.114 56.400 -0.174 0.000 0.814 88 E CB 0.123 29.756 29.700 -0.112 0.000 0.762 88 E HN 0.293 nan 8.360 nan 0.000 0.460 89 D N 0.160 120.486 120.400 -0.122 0.000 2.104 89 D HA -0.177 4.464 4.640 0.001 0.000 0.194 89 D C 1.962 178.207 176.300 -0.091 0.000 0.994 89 D CA 1.042 54.979 54.000 -0.105 0.000 0.830 89 D CB -0.099 40.631 40.800 -0.117 0.000 0.959 89 D HN 0.255 nan 8.370 nan 0.000 0.452 90 L N 0.478 121.645 121.223 -0.092 0.000 2.093 90 L HA -0.111 4.230 4.340 0.001 0.000 0.208 90 L C 2.275 179.167 176.870 0.037 0.000 1.085 90 L CA 0.953 55.805 54.840 0.020 0.000 0.755 90 L CB -0.374 41.746 42.059 0.102 0.000 0.904 90 L HN -0.075 nan 8.230 nan 0.000 0.435 91 K N 0.177 120.442 120.400 -0.226 0.000 2.442 91 K HA -0.136 4.184 4.320 0.001 0.000 0.198 91 K C 1.008 177.547 176.600 -0.102 0.000 1.042 91 K CA 0.780 56.842 56.287 -0.376 0.000 0.958 91 K CB 0.024 32.179 32.500 -0.574 0.000 0.766 91 K HN 0.371 nan 8.250 nan 0.000 0.474 92 Q N 0.019 119.804 119.800 -0.024 0.000 2.206 92 Q HA 0.115 4.455 4.340 0.001 0.000 0.265 92 Q C -0.754 175.313 176.000 0.112 0.000 0.866 92 Q CA -0.491 55.325 55.803 0.022 0.000 1.073 92 Q CB 0.264 28.991 28.738 -0.017 0.000 1.165 92 Q HN 0.094 nan 8.270 nan 0.000 0.465 93 F N 1.377 121.344 119.950 0.029 0.000 2.602 93 F HA -0.007 4.520 4.527 0.001 0.000 0.367 93 F C 0.898 176.742 175.800 0.072 0.000 1.126 93 F CA 0.366 58.420 58.000 0.090 0.000 1.321 93 F CB 0.341 39.437 39.000 0.160 0.000 1.094 93 F HN 0.216 nan 8.300 nan 0.000 0.594 94 R N 0.938 121.182 120.500 -0.426 0.000 3.932 94 R HA -0.237 4.103 4.340 0.001 0.000 0.318 94 R C -0.455 175.743 176.300 -0.171 0.000 1.219 94 R CA 0.888 56.731 56.100 -0.429 0.000 0.889 94 R CB -1.354 28.550 30.300 -0.660 0.000 1.309 94 R HN 0.595 nan 8.270 nan 0.000 0.537 95 Q N 0.363 120.118 119.800 -0.076 0.000 2.215 95 Q HA 0.319 4.660 4.340 0.001 0.000 0.256 95 Q C -0.178 175.808 176.000 -0.024 0.000 0.972 95 Q CA -1.070 54.709 55.803 -0.040 0.000 0.889 95 Q CB 1.174 29.901 28.738 -0.017 0.000 1.281 95 Q HN 0.101 nan 8.270 nan 0.000 0.456 96 L N 0.834 122.047 121.223 -0.018 0.000 2.410 96 L HA 0.317 4.657 4.340 0.001 0.000 0.273 96 L C 0.957 177.824 176.870 -0.005 0.000 1.144 96 L CA 1.657 56.491 54.840 -0.009 0.000 0.863 96 L CB 0.095 42.149 42.059 -0.007 0.000 1.140 96 L HN 0.886 nan 8.230 nan 0.000 0.463 97 G N 2.336 111.136 108.800 -0.000 0.000 2.136 97 G HA2 -0.273 3.688 3.960 0.001 0.000 0.242 97 G HA3 -0.273 3.688 3.960 0.001 0.000 0.242 97 G C 0.273 175.171 174.900 -0.003 0.000 0.989 97 G CA 0.382 45.483 45.100 0.000 0.000 0.682 97 G HN 1.076 nan 8.290 nan 0.000 0.522 98 S N -1.243 114.456 115.700 -0.002 0.000 2.686 98 S HA 0.666 5.137 4.470 0.001 0.000 0.270 98 S C 1.014 175.608 174.600 -0.011 0.000 1.194 98 S CA -0.253 57.942 58.200 -0.008 0.000 0.990 98 S CB 1.388 64.589 63.200 0.002 0.000 1.029 98 S HN 0.313 nan 8.310 nan 0.000 0.560 99 R N 0.003 120.480 120.500 -0.038 0.000 2.359 99 R HA 0.175 4.515 4.340 0.001 0.000 0.231 99 R C -0.110 176.120 176.300 -0.117 0.000 0.913 99 R CA 0.367 56.432 56.100 -0.059 0.000 1.075 99 R CB 0.215 30.469 30.300 -0.077 0.000 1.087 99 R HN 0.844 nan 8.270 nan 0.000 0.515 100 T N -0.304 114.206 114.554 -0.073 0.000 3.401 100 T HA 0.300 4.651 4.350 0.001 0.000 0.341 100 T C -2.542 172.345 174.700 0.311 0.000 1.674 100 T CA -1.940 60.122 62.100 -0.063 0.000 1.600 100 T CB 1.301 70.087 68.868 -0.137 0.000 0.974 100 T HN -0.112 nan 8.240 nan 0.000 0.672 101 P HA 0.222 nan 4.420 nan 0.000 0.274 101 P C 1.306 178.727 177.300 0.202 0.000 1.237 101 P CA -0.169 63.040 63.100 0.181 0.000 0.793 101 P CB 0.748 32.542 31.700 0.157 0.000 0.977 102 G N 0.317 109.077 108.800 -0.067 0.000 2.564 102 G HA2 -0.135 3.826 3.960 0.001 0.000 0.216 102 G HA3 -0.135 3.826 3.960 0.001 0.000 0.216 102 G C 0.032 174.656 174.900 -0.459 0.000 1.124 102 G CA 0.854 45.791 45.100 -0.273 0.000 0.764 102 G HN 0.654 nan 8.290 nan 0.000 0.550 103 H N -1.389 117.782 119.070 0.169 0.000 3.046 103 H HA 0.367 4.924 4.556 0.001 0.000 0.363 103 H C -2.611 172.802 175.328 0.142 0.000 1.203 103 H CA -1.477 54.647 56.048 0.126 0.000 1.169 103 H CB 2.571 32.393 29.762 0.099 0.000 1.851 103 H HN -0.120 nan 8.280 nan 0.000 0.546 104 P HA 0.066 nan 4.420 nan 0.000 0.271 104 P C -0.864 176.571 177.300 0.225 0.000 1.220 104 P CA -0.154 63.071 63.100 0.208 0.000 0.768 104 P CB 1.119 32.900 31.700 0.135 0.000 0.848 105 E N 2.161 122.500 120.200 0.233 0.000 2.151 105 E HA 0.135 4.486 4.350 0.001 0.000 0.275 105 E C 0.554 177.286 176.600 0.219 0.000 0.936 105 E CA -0.638 55.886 56.400 0.207 0.000 0.777 105 E CB 0.718 30.517 29.700 0.165 0.000 1.108 105 E HN 0.320 nan 8.360 nan 0.000 0.401 106 F N 3.983 123.981 119.950 0.080 0.000 2.082 106 F HA -0.373 4.154 4.527 0.001 0.000 0.298 106 F C 2.143 177.988 175.800 0.075 0.000 1.091 106 F CA 2.552 60.602 58.000 0.082 0.000 1.230 106 F CB -0.048 38.981 39.000 0.047 0.000 0.983 106 F HN 0.708 nan 8.300 nan 0.000 0.485 107 E N 0.520 120.657 120.200 -0.106 0.000 2.113 107 E HA -0.292 4.059 4.350 0.001 0.000 0.210 107 E C 0.981 177.473 176.600 -0.181 0.000 1.040 107 E CA 1.353 57.634 56.400 -0.198 0.000 0.847 107 E CB -0.629 29.052 29.700 -0.033 0.000 0.755 107 E HN 0.373 nan 8.360 nan 0.000 0.459 108 L N 1.352 122.536 121.223 -0.064 0.000 2.467 108 L HA 0.192 4.532 4.340 0.001 0.000 0.270 108 L C -2.387 174.466 176.870 -0.027 0.000 1.205 108 L CA -1.373 53.455 54.840 -0.020 0.000 0.828 108 L CB 0.523 42.606 42.059 0.041 0.000 1.101 108 L HN -0.135 nan 8.230 nan 0.000 0.479 109 P HA 0.252 nan 4.420 nan 0.000 0.271 109 P C 0.191 177.522 177.300 0.050 0.000 1.233 109 P CA 0.873 64.006 63.100 0.055 0.000 0.764 109 P CB 0.654 32.421 31.700 0.112 0.000 0.825 110 G N 2.024 110.834 108.800 0.017 0.000 2.136 110 G HA2 -0.183 3.777 3.960 0.001 0.000 0.242 110 G HA3 -0.183 3.777 3.960 0.001 0.000 0.242 110 G C -0.072 174.803 174.900 -0.042 0.000 0.989 110 G CA -0.359 44.654 45.100 -0.145 0.000 0.682 110 G HN 0.504 nan 8.290 nan 0.000 0.522 111 V N 1.081 121.026 119.914 0.050 0.000 2.325 111 V HA 0.345 4.466 4.120 0.001 0.000 0.280 111 V C 1.086 177.275 176.094 0.159 0.000 1.016 111 V CA -0.539 61.840 62.300 0.132 0.000 0.818 111 V CB 1.466 33.384 31.823 0.159 0.000 1.019 111 V HN 0.295 nan 8.190 nan 0.000 0.434 112 E N 2.641 122.954 120.200 0.189 0.000 2.158 112 E HA -0.019 4.331 4.350 0.001 0.000 0.191 112 E C 0.556 177.425 176.600 0.448 0.000 0.982 112 E CA 1.081 57.636 56.400 0.258 0.000 0.823 112 E CB 0.724 30.511 29.700 0.144 0.000 0.766 112 E HN 0.684 nan 8.360 nan 0.000 0.468 113 V N -2.901 117.222 119.914 0.348 0.000 3.181 113 V HA 0.522 4.642 4.120 0.001 0.000 0.307 113 V C -0.270 175.992 176.094 0.281 0.000 1.310 113 V CA -0.957 61.535 62.300 0.322 0.000 1.067 113 V CB 1.667 33.569 31.823 0.132 0.000 1.081 113 V HN -0.056 nan 8.190 nan 0.000 0.453 114 T N 1.228 115.910 114.554 0.214 0.000 2.794 114 T HA 0.785 5.135 4.350 0.001 0.000 0.280 114 T C -0.207 174.568 174.700 0.125 0.000 0.987 114 T CA 0.476 62.683 62.100 0.179 0.000 0.993 114 T CB 0.892 69.859 68.868 0.166 0.000 0.939 114 T HN 1.720 nan 8.240 nan 0.000 0.449 115 T N 0.868 115.494 114.554 0.119 0.000 2.916 115 T HA 0.830 5.181 4.350 0.001 0.000 0.292 115 T C 0.787 175.540 174.700 0.088 0.000 1.064 115 T CA -0.088 62.060 62.100 0.081 0.000 1.011 115 T CB 1.586 70.486 68.868 0.052 0.000 1.152 115 T HN 1.227 nan 8.240 nan 0.000 0.510 116 G N 0.387 109.198 108.800 0.019 0.000 3.768 116 G HA2 0.080 4.040 3.960 0.001 0.000 0.214 116 G HA3 0.080 4.040 3.960 0.001 0.000 0.214 116 G C -2.516 172.315 174.900 -0.114 0.000 1.058 116 G CA -0.579 44.452 45.100 -0.116 0.000 0.890 116 G HN 0.831 nan 8.290 nan 0.000 0.393 117 P HA 0.441 nan 4.420 nan 0.000 0.264 117 P C 0.039 177.334 177.300 -0.008 0.000 1.193 117 P CA 0.188 63.279 63.100 -0.016 0.000 0.763 117 P CB 0.732 32.444 31.700 0.020 0.000 0.810 118 L N 2.376 123.594 121.223 -0.009 0.000 2.326 118 L HA 0.405 4.745 4.340 0.001 0.000 0.278 118 L C 1.566 178.411 176.870 -0.042 0.000 1.092 118 L CA 0.491 55.321 54.840 -0.016 0.000 0.810 118 L CB 0.630 42.680 42.059 -0.015 0.000 1.153 118 L HN 0.795 nan 8.230 nan 0.000 0.439 119 G N 1.215 109.983 108.800 -0.054 0.000 2.232 119 G HA2 -0.244 3.717 3.960 0.001 0.000 0.226 119 G HA3 -0.244 3.717 3.960 0.001 0.000 0.226 119 G C 0.906 175.752 174.900 -0.090 0.000 0.996 119 G CA -0.088 44.959 45.100 -0.088 0.000 0.626 119 G HN 0.544 nan 8.290 nan 0.000 0.509 120 Q N 0.585 120.351 119.800 -0.058 0.000 2.016 120 Q HA 0.024 4.364 4.340 0.001 0.000 0.200 120 Q C 2.776 178.763 176.000 -0.021 0.000 0.978 120 Q CA 2.132 57.914 55.803 -0.034 0.000 0.833 120 Q CB -1.013 27.732 28.738 0.011 0.000 0.895 120 Q HN 0.649 nan 8.270 nan 0.000 0.427 121 G N 1.505 110.295 108.800 -0.016 0.000 2.459 121 G HA2 -0.274 3.687 3.960 0.001 0.000 0.217 121 G HA3 -0.274 3.687 3.960 0.001 0.000 0.217 121 G C 1.512 176.399 174.900 -0.023 0.000 1.183 121 G CA 0.990 46.078 45.100 -0.021 0.000 0.776 121 G HN 0.361 nan 8.290 nan 0.000 0.552 122 I N 1.181 121.743 120.570 -0.013 0.000 2.286 122 I HA -0.111 4.059 4.170 0.001 0.000 0.248 122 I C 2.723 178.856 176.117 0.027 0.000 1.115 122 I CA 1.827 63.140 61.300 0.021 0.000 1.392 122 I CB -0.389 37.628 38.000 0.028 0.000 1.065 122 I HN 0.103 nan 8.210 nan 0.000 0.418 123 S N 0.653 116.349 115.700 -0.006 0.000 2.382 123 S HA -0.173 4.297 4.470 0.001 0.000 0.228 123 S C 1.772 176.359 174.600 -0.023 0.000 1.027 123 S CA 1.780 59.971 58.200 -0.014 0.000 0.991 123 S CB -0.842 62.325 63.200 -0.054 0.000 0.823 123 S HN 0.632 nan 8.310 nan 0.000 0.469 124 N N 1.480 120.161 118.700 -0.032 0.000 2.166 124 N HA -0.033 4.707 4.740 0.001 0.000 0.186 124 N C 1.877 177.351 175.510 -0.059 0.000 1.019 124 N CA 0.921 53.939 53.050 -0.054 0.000 0.856 124 N CB -0.229 38.230 38.487 -0.047 0.000 0.993 124 N HN 0.413 nan 8.380 nan 0.000 0.426 125 A N 0.651 123.449 122.820 -0.036 0.000 2.015 125 A HA -0.049 4.272 4.320 0.001 0.000 0.219 125 A C 2.294 179.846 177.584 -0.053 0.000 1.163 125 A CA 0.844 52.859 52.037 -0.037 0.000 0.646 125 A CB -0.443 18.550 19.000 -0.012 0.000 0.806 125 A HN 0.089 nan 8.150 nan 0.000 0.448 126 V N -0.128 119.763 119.914 -0.038 0.000 2.358 126 V HA -0.172 3.948 4.120 0.001 0.000 0.246 126 V C 2.829 178.844 176.094 -0.132 0.000 1.047 126 V CA 1.882 64.144 62.300 -0.064 0.000 1.035 126 V CB -1.462 30.351 31.823 -0.018 0.000 0.658 126 V HN 0.581 nan 8.190 nan 0.000 0.452 127 G N -0.429 108.289 108.800 -0.138 0.000 2.459 127 G HA2 -0.317 3.644 3.960 0.001 0.000 0.217 127 G HA3 -0.317 3.644 3.960 0.001 0.000 0.217 127 G C 1.644 176.376 174.900 -0.280 0.000 1.183 127 G CA 1.343 46.316 45.100 -0.212 0.000 0.776 127 G HN 0.420 nan 8.290 nan 0.000 0.552 128 M N 0.807 120.294 119.600 -0.188 0.000 2.106 128 M HA -0.082 4.399 4.480 0.001 0.000 0.259 128 M C 2.957 179.118 176.300 -0.233 0.000 1.068 128 M CA 1.647 56.867 55.300 -0.133 0.000 1.100 128 M CB -0.192 32.403 32.600 -0.008 0.000 1.351 128 M HN 0.333 nan 8.290 nan 0.000 0.404 129 A N -0.308 122.382 122.820 -0.217 0.000 1.970 129 A HA -0.075 4.245 4.320 0.001 0.000 0.216 129 A C 2.070 179.469 177.584 -0.308 0.000 1.170 129 A CA 1.154 53.044 52.037 -0.245 0.000 0.645 129 A CB -0.480 18.401 19.000 -0.198 0.000 0.816 129 A HN 0.439 nan 8.150 nan 0.000 0.447 130 M N -0.308 119.101 119.600 -0.318 0.000 2.067 130 M HA -0.135 4.345 4.480 0.001 0.000 0.260 130 M C 2.545 178.512 176.300 -0.554 0.000 1.069 130 M CA 1.573 56.663 55.300 -0.350 0.000 1.117 130 M CB -0.453 31.834 32.600 -0.523 0.000 1.334 130 M HN 0.433 nan 8.290 nan 0.000 0.407 131 A N -0.322 122.034 122.820 -0.774 0.000 1.940 131 A HA -0.227 4.093 4.320 0.001 0.000 0.219 131 A C 2.166 179.053 177.584 -1.161 0.000 1.176 131 A CA 1.757 53.078 52.037 -1.194 0.000 0.631 131 A CB -0.790 17.314 19.000 -1.493 0.000 0.814 131 A HN 0.552 nan 8.150 nan 0.000 0.446 132 Q N -0.313 118.934 119.800 -0.923 0.000 2.083 132 Q HA -0.077 4.263 4.340 0.001 0.000 0.198 132 Q C 2.257 178.068 176.000 -0.315 0.000 0.969 132 Q CA 1.582 57.053 55.803 -0.554 0.000 0.838 132 Q CB -0.436 28.146 28.738 -0.259 0.000 0.900 132 Q HN 0.554 nan 8.270 nan 0.000 0.436 133 A N 1.836 124.463 122.820 -0.321 0.000 1.917 133 A HA -0.238 4.083 4.320 0.001 0.000 0.219 133 A C 2.013 179.541 177.584 -0.094 0.000 1.182 133 A CA 1.829 53.663 52.037 -0.338 0.000 0.633 133 A CB -0.928 17.732 19.000 -0.567 0.000 0.819 133 A HN 0.585 nan 8.150 nan 0.000 0.448 134 N N -0.315 118.414 118.700 0.049 0.000 2.109 134 N HA -0.135 4.606 4.740 0.001 0.000 0.188 134 N C 1.844 177.443 175.510 0.148 0.000 1.034 134 N CA 1.659 54.812 53.050 0.172 0.000 0.846 134 N CB -0.272 38.311 38.487 0.161 0.000 1.010 134 N HN 0.331 nan 8.380 nan 0.000 0.425 135 L N 1.710 123.033 121.223 0.166 0.000 2.013 135 L HA -0.159 4.181 4.340 0.001 0.000 0.212 135 L C 2.481 179.515 176.870 0.273 0.000 1.073 135 L CA 2.168 57.200 54.840 0.320 0.000 0.753 135 L CB -0.856 41.392 42.059 0.316 0.000 0.890 135 L HN 0.242 nan 8.230 nan 0.000 0.432 136 A N -0.813 122.080 122.820 0.121 0.000 1.908 136 A HA -0.148 4.172 4.320 0.001 0.000 0.218 136 A C 2.406 180.031 177.584 0.068 0.000 1.181 136 A CA 1.910 53.995 52.037 0.079 0.000 0.627 136 A CB -1.173 17.822 19.000 -0.008 0.000 0.818 136 A HN 0.576 nan 8.150 nan 0.000 0.445 137 A N -1.263 121.588 122.820 0.053 0.000 2.015 137 A HA -0.001 4.320 4.320 0.001 0.000 0.219 137 A C 2.229 179.803 177.584 -0.016 0.000 1.163 137 A CA 2.069 54.130 52.037 0.040 0.000 0.646 137 A CB -0.922 18.127 19.000 0.080 0.000 0.806 137 A HN 0.442 nan 8.150 nan 0.000 0.448 138 T N -1.765 112.745 114.554 -0.073 0.000 2.851 138 T HA -0.020 4.331 4.350 0.001 0.000 0.262 138 T C 1.503 175.922 174.700 -0.468 0.000 1.043 138 T CA 1.647 63.547 62.100 -0.332 0.000 1.140 138 T CB -0.280 68.277 68.868 -0.518 0.000 0.872 138 T HN 0.598 nan 8.240 nan 0.000 0.446 139 Y N 0.333 120.658 120.300 0.041 0.000 2.609 139 Y HA 0.363 4.913 4.550 0.001 0.000 0.281 139 Y C 0.856 176.765 175.900 0.016 0.000 1.132 139 Y CA -0.836 57.293 58.100 0.049 0.000 1.264 139 Y CB -0.265 38.195 38.460 -0.001 0.000 1.325 139 Y HN -0.024 nan 8.280 nan 0.000 0.514 140 N N 2.707 121.488 118.700 0.134 0.000 2.411 140 N HA -0.010 4.730 4.740 0.001 0.000 0.265 140 N C -0.271 175.286 175.510 0.079 0.000 1.266 140 N CA 0.515 53.625 53.050 0.100 0.000 0.889 140 N CB 0.321 38.857 38.487 0.081 0.000 1.069 140 N HN 0.086 nan 8.380 nan 0.000 0.476 141 K N 2.357 122.835 120.400 0.130 0.000 2.238 141 K HA 0.511 4.832 4.320 0.001 0.000 0.239 141 K C -2.455 174.287 176.600 0.237 0.000 0.987 141 K CA -1.894 54.445 56.287 0.086 0.000 0.857 141 K CB 1.273 33.633 32.500 -0.233 0.000 1.154 141 K HN 0.290 nan 8.250 nan 0.000 0.439 142 P HA 0.050 nan 4.420 nan 0.000 0.270 142 P C 0.497 177.932 177.300 0.226 0.000 1.242 142 P CA 0.608 63.819 63.100 0.185 0.000 0.768 142 P CB 0.402 32.188 31.700 0.144 0.000 0.820 143 G N 3.084 111.919 108.800 0.058 0.000 2.279 143 G HA2 -0.227 3.734 3.960 0.001 0.000 0.223 143 G HA3 -0.227 3.734 3.960 0.001 0.000 0.223 143 G C -0.161 174.475 174.900 -0.439 0.000 1.015 143 G CA -0.484 44.476 45.100 -0.234 0.000 0.621 143 G HN 0.434 nan 8.290 nan 0.000 0.506 144 F N 2.426 122.485 119.950 0.182 0.000 2.550 144 F HA 0.523 5.050 4.527 0.001 0.000 0.348 144 F C 0.324 176.163 175.800 0.065 0.000 1.219 144 F CA -0.509 57.592 58.000 0.168 0.000 1.203 144 F CB 1.672 40.916 39.000 0.407 0.000 1.436 144 F HN -0.085 nan 8.300 nan 0.000 0.541 145 T N 3.500 118.140 114.554 0.143 0.000 2.992 145 T HA 0.265 4.616 4.350 0.001 0.000 0.299 145 T C 1.330 176.100 174.700 0.116 0.000 1.027 145 T CA 0.045 62.209 62.100 0.106 0.000 1.001 145 T CB 0.185 69.097 68.868 0.075 0.000 1.005 145 T HN 0.470 nan 8.240 nan 0.000 0.599 146 L N 1.646 122.927 121.223 0.097 0.000 2.477 146 L HA 0.252 4.593 4.340 0.001 0.000 0.220 146 L C 1.223 178.262 176.870 0.282 0.000 1.106 146 L CA 0.348 55.297 54.840 0.181 0.000 0.851 146 L CB 0.397 42.441 42.059 -0.025 0.000 0.994 146 L HN 0.390 nan 8.230 nan 0.000 0.462 147 S N -0.082 115.695 115.700 0.128 0.000 2.614 147 S HA 0.411 4.881 4.470 0.001 0.000 0.288 147 S C -1.075 173.516 174.600 -0.014 0.000 1.137 147 S CA -0.650 57.581 58.200 0.052 0.000 0.992 147 S CB 1.067 64.308 63.200 0.068 0.000 1.026 147 S HN 0.385 nan 8.310 nan 0.000 0.486 148 D N 1.769 122.119 120.400 -0.085 0.000 2.936 148 D HA 0.006 4.647 4.640 0.001 0.000 0.297 148 D C -0.269 175.857 176.300 -0.290 0.000 1.677 148 D CA -0.470 53.431 54.000 -0.166 0.000 0.821 148 D CB -0.985 39.758 40.800 -0.095 0.000 1.358 148 D HN 0.516 nan 8.370 nan 0.000 0.448 149 N N 0.372 118.907 118.700 -0.275 0.000 2.444 149 N HA 0.071 4.811 4.740 0.001 0.000 0.255 149 N C -0.603 174.639 175.510 -0.447 0.000 1.255 149 N CA 0.147 53.015 53.050 -0.303 0.000 0.933 149 N CB 0.987 39.308 38.487 -0.276 0.000 1.143 149 N HN -0.018 nan 8.380 nan 0.000 0.453 150 Y N -0.662 119.507 120.300 -0.219 0.000 2.432 150 Y HA 0.287 4.838 4.550 0.001 0.000 0.322 150 Y C 0.528 176.162 175.900 -0.443 0.000 1.246 150 Y CA -0.303 57.562 58.100 -0.392 0.000 1.268 150 Y CB 1.520 39.577 38.460 -0.672 0.000 1.276 150 Y HN 0.413 nan 8.280 nan 0.000 0.499 151 T N 1.932 116.288 114.554 -0.330 0.000 2.864 151 T HA 0.361 4.712 4.350 0.001 0.000 0.310 151 T C -1.488 173.055 174.700 -0.261 0.000 1.040 151 T CA -0.675 61.289 62.100 -0.227 0.000 0.977 151 T CB -0.403 68.387 68.868 -0.130 0.000 0.976 151 T HN 0.226 nan 8.240 nan 0.000 0.459 152 Y N 1.796 122.161 120.300 0.107 0.000 2.328 152 Y HA 0.570 5.121 4.550 0.001 0.000 0.337 152 Y C 0.193 176.112 175.900 0.031 0.000 1.008 152 Y CA -1.148 57.038 58.100 0.144 0.000 1.129 152 Y CB 1.058 39.651 38.460 0.223 0.000 1.185 152 Y HN 0.346 nan 8.280 nan 0.000 0.476 153 V N 3.763 123.788 119.914 0.185 0.000 2.604 153 V HA 0.408 4.528 4.120 0.001 0.000 0.305 153 V C -0.781 175.436 176.094 0.204 0.000 1.043 153 V CA -1.090 61.210 62.300 -0.001 0.000 0.888 153 V CB 1.597 33.453 31.823 0.055 0.000 0.995 153 V HN 0.397 nan 8.190 nan 0.000 0.429 154 F N 5.559 125.400 119.950 -0.182 0.000 2.385 154 F HA 0.735 5.263 4.527 0.001 0.000 0.360 154 F C 0.056 175.838 175.800 -0.030 0.000 1.122 154 F CA -1.358 56.630 58.000 -0.019 0.000 1.090 154 F CB 1.239 40.267 39.000 0.048 0.000 1.150 154 F HN 0.417 nan 8.300 nan 0.000 0.472 155 L N 1.116 122.436 121.223 0.162 0.000 2.323 155 L HA 1.116 5.456 4.340 0.001 0.000 0.265 155 L C 0.085 177.032 176.870 0.128 0.000 1.012 155 L CA -0.923 53.966 54.840 0.083 0.000 0.820 155 L CB 1.841 43.905 42.059 0.009 0.000 1.334 155 L HN 0.516 nan 8.230 nan 0.000 0.427 156 G N -0.570 108.295 108.800 0.109 0.000 3.209 156 G HA2 0.323 4.283 3.960 0.001 0.000 0.236 156 G HA3 0.323 4.283 3.960 0.001 0.000 0.236 156 G C -0.328 174.673 174.900 0.169 0.000 1.329 156 G CA -0.233 44.987 45.100 0.200 0.000 1.015 156 G HN 0.692 nan 8.290 nan 0.000 0.571 157 D N -0.167 120.365 120.400 0.221 0.000 2.162 157 D HA -0.059 4.581 4.640 0.001 0.000 0.203 157 D C 2.483 178.712 176.300 -0.118 0.000 0.967 157 D CA 1.348 55.442 54.000 0.157 0.000 0.840 157 D CB -0.340 40.641 40.800 0.301 0.000 0.972 157 D HN 0.429 nan 8.370 nan 0.000 0.482 158 G N 1.030 109.800 108.800 -0.051 0.000 2.469 158 G HA2 -0.299 3.661 3.960 0.001 0.000 0.219 158 G HA3 -0.299 3.661 3.960 0.001 0.000 0.219 158 G C 1.909 176.735 174.900 -0.124 0.000 1.150 158 G CA 1.026 46.067 45.100 -0.097 0.000 0.763 158 G HN 0.304 nan 8.290 nan 0.000 0.561 159 C N 0.221 119.473 119.300 -0.080 0.000 2.425 159 C HA 0.073 4.534 4.460 0.001 0.000 0.277 159 C C 2.837 177.740 174.990 -0.144 0.000 1.280 159 C CA 0.529 59.491 59.018 -0.093 0.000 1.744 159 C CB -1.043 26.661 27.740 -0.061 0.000 1.989 159 C HN 0.418 nan 8.230 nan 0.000 0.491 160 L N -0.057 121.036 121.223 -0.216 0.000 2.313 160 L HA -0.088 4.253 4.340 0.001 0.000 0.214 160 L C 2.648 179.342 176.870 -0.294 0.000 1.119 160 L CA 1.000 55.715 54.840 -0.209 0.000 0.809 160 L CB -0.660 41.264 42.059 -0.225 0.000 0.933 160 L HN 0.424 nan 8.230 nan 0.000 0.449 161 Q N -0.116 119.391 119.800 -0.489 0.000 2.297 161 Q HA -0.041 4.299 4.340 0.001 0.000 0.204 161 Q C 0.173 176.035 176.000 -0.230 0.000 0.962 161 Q CA 0.562 56.072 55.803 -0.490 0.000 0.879 161 Q CB 0.301 28.709 28.738 -0.550 0.000 0.947 161 Q HN 0.382 nan 8.270 nan 0.000 0.462 162 E N -0.130 119.967 120.200 -0.172 0.000 2.194 162 E HA 0.067 4.418 4.350 0.001 0.000 0.284 162 E C 0.733 177.279 176.600 -0.091 0.000 1.035 162 E CA -0.093 56.239 56.400 -0.114 0.000 0.836 162 E CB 1.415 31.052 29.700 -0.106 0.000 1.070 162 E HN 0.280 nan 8.360 nan 0.000 0.401 163 G N 4.096 112.855 108.800 -0.068 0.000 2.545 163 G HA2 -0.297 3.664 3.960 0.001 0.000 0.222 163 G HA3 -0.297 3.664 3.960 0.001 0.000 0.222 163 G C 1.388 176.250 174.900 -0.064 0.000 1.126 163 G CA 0.539 45.610 45.100 -0.049 0.000 0.754 163 G HN 0.628 nan 8.290 nan 0.000 0.583 164 I N 1.307 121.809 120.570 -0.112 0.000 2.286 164 I HA -0.202 3.969 4.170 0.001 0.000 0.248 164 I C 2.976 179.017 176.117 -0.126 0.000 1.115 164 I CA 1.917 63.111 61.300 -0.176 0.000 1.392 164 I CB -0.076 37.653 38.000 -0.452 0.000 1.065 164 I HN 0.327 nan 8.210 nan 0.000 0.418 165 S N -0.252 115.387 115.700 -0.103 0.000 2.428 165 S HA -0.093 4.377 4.470 0.001 0.000 0.230 165 S C 1.921 176.477 174.600 -0.073 0.000 1.014 165 S CA 1.085 59.249 58.200 -0.061 0.000 0.957 165 S CB -0.434 62.741 63.200 -0.042 0.000 0.784 165 S HN 0.491 nan 8.310 nan 0.000 0.499 166 S N 2.217 117.867 115.700 -0.082 0.000 2.371 166 S HA -0.028 4.443 4.470 0.001 0.000 0.224 166 S C 1.833 176.311 174.600 -0.202 0.000 1.029 166 S CA 1.013 59.142 58.200 -0.118 0.000 0.978 166 S CB -0.374 62.818 63.200 -0.014 0.000 0.833 166 S HN 0.624 nan 8.310 nan 0.000 0.466 167 E N 1.643 121.774 120.200 -0.114 0.000 2.051 167 E HA -0.104 4.247 4.350 0.001 0.000 0.192 167 E C 2.445 178.984 176.600 -0.101 0.000 0.991 167 E CA 1.006 57.352 56.400 -0.090 0.000 0.799 167 E CB -0.333 29.349 29.700 -0.031 0.000 0.748 167 E HN 0.504 nan 8.360 nan 0.000 0.449 168 A N 1.135 123.911 122.820 -0.074 0.000 1.865 168 A HA -0.240 4.081 4.320 0.001 0.000 0.217 168 A C 2.378 179.946 177.584 -0.026 0.000 1.191 168 A CA 2.064 54.084 52.037 -0.029 0.000 0.623 168 A CB -0.745 18.253 19.000 -0.002 0.000 0.826 168 A HN 0.165 nan 8.150 nan 0.000 0.444 169 S N -0.416 115.239 115.700 -0.074 0.000 2.383 169 S HA -0.166 4.304 4.470 0.001 0.000 0.229 169 S C 2.272 176.668 174.600 -0.341 0.000 1.030 169 S CA 1.445 59.624 58.200 -0.036 0.000 1.002 169 S CB -0.419 62.482 63.200 -0.498 0.000 0.829 169 S HN 0.681 nan 8.310 nan 0.000 0.467 170 S N 0.900 116.182 115.700 -0.698 0.000 2.368 170 S HA -0.042 4.428 4.470 0.001 0.000 0.225 170 S C 1.784 176.310 174.600 -0.124 0.000 1.030 170 S CA 0.863 58.774 58.200 -0.482 0.000 0.999 170 S CB -0.350 62.672 63.200 -0.297 0.000 0.844 170 S HN 0.341 nan 8.310 nan 0.000 0.459 171 L N 1.731 122.906 121.223 -0.079 0.000 2.027 171 L HA 0.204 4.545 4.340 0.001 0.000 0.206 171 L C 2.556 179.425 176.870 -0.002 0.000 1.074 171 L CA 1.985 56.820 54.840 -0.008 0.000 0.745 171 L CB -1.331 40.724 42.059 -0.007 0.000 0.898 171 L HN 0.320 nan 8.230 nan 0.000 0.433 172 A N -0.635 122.176 122.820 -0.014 0.000 1.908 172 A HA -0.124 4.196 4.320 0.001 0.000 0.218 172 A C 2.340 179.795 177.584 -0.215 0.000 1.181 172 A CA 1.700 53.672 52.037 -0.108 0.000 0.627 172 A CB -1.569 17.368 19.000 -0.104 0.000 0.818 172 A HN 0.517 nan 8.150 nan 0.000 0.445 173 G N -0.973 107.743 108.800 -0.140 0.000 2.459 173 G HA2 -0.348 3.613 3.960 0.001 0.000 0.217 173 G HA3 -0.348 3.613 3.960 0.001 0.000 0.217 173 G C 1.505 176.384 174.900 -0.034 0.000 1.183 173 G CA 1.561 46.601 45.100 -0.099 0.000 0.776 173 G HN 0.779 nan 8.290 nan 0.000 0.552 174 H N 0.601 119.647 119.070 -0.040 0.000 2.387 174 H HA 0.066 4.622 4.556 0.001 0.000 0.299 174 H C 2.175 177.461 175.328 -0.071 0.000 1.099 174 H CA 1.294 57.315 56.048 -0.045 0.000 1.315 174 H CB -0.331 29.401 29.762 -0.049 0.000 1.380 174 H HN 0.286 nan 8.280 nan 0.000 0.513 175 L N 0.249 121.308 121.223 -0.274 0.000 2.627 175 L HA 0.049 4.390 4.340 0.001 0.000 0.233 175 L C 0.502 177.273 176.870 -0.165 0.000 1.144 175 L CA 0.406 55.080 54.840 -0.276 0.000 0.892 175 L CB -0.128 41.896 42.059 -0.057 0.000 1.039 175 L HN 0.255 nan 8.230 nan 0.000 0.442 176 K N 0.554 120.845 120.400 -0.182 0.000 3.096 176 K HA -0.176 4.145 4.320 0.001 0.000 0.266 176 K C -0.333 176.200 176.600 -0.112 0.000 1.043 176 K CA 0.328 56.537 56.287 -0.130 0.000 0.758 176 K CB -1.649 30.788 32.500 -0.105 0.000 1.260 176 K HN 0.295 nan 8.250 nan 0.000 0.481 177 L N 0.484 121.588 121.223 -0.199 0.000 2.387 177 L HA 0.106 4.446 4.340 0.001 0.000 0.267 177 L C 1.905 178.633 176.870 -0.236 0.000 1.197 177 L CA 0.047 54.757 54.840 -0.218 0.000 1.070 177 L CB 0.371 42.292 42.059 -0.231 0.000 1.349 177 L HN 0.434 nan 8.230 nan 0.000 0.422 178 G N 1.627 110.327 108.800 -0.167 0.000 2.462 178 G HA2 -0.245 3.715 3.960 0.001 0.000 0.220 178 G HA3 -0.245 3.715 3.960 0.001 0.000 0.220 178 G C 1.085 175.951 174.900 -0.057 0.000 1.121 178 G CA 0.374 45.414 45.100 -0.101 0.000 0.758 178 G HN 0.519 nan 8.290 nan 0.000 0.559 179 N N -0.553 118.073 118.700 -0.124 0.000 2.314 179 N HA 0.157 4.898 4.740 0.001 0.000 0.200 179 N C -0.171 175.323 175.510 -0.027 0.000 1.135 179 N CA -0.214 52.794 53.050 -0.069 0.000 0.835 179 N CB 0.416 38.657 38.487 -0.411 0.000 0.989 179 N HN 0.249 nan 8.380 nan 0.000 0.478 180 L N 1.514 122.684 121.223 -0.089 0.000 2.288 180 L HA 0.469 4.809 4.340 0.001 0.000 0.283 180 L C -0.843 176.033 176.870 0.009 0.000 1.072 180 L CA -0.242 54.547 54.840 -0.087 0.000 0.862 180 L CB -0.012 41.945 42.059 -0.170 0.000 1.245 180 L HN -0.017 nan 8.230 nan 0.000 0.432 181 I N 5.071 125.685 120.570 0.073 0.000 2.315 181 I HA 0.528 4.698 4.170 0.001 0.000 0.291 181 I C 0.211 176.495 176.117 0.278 0.000 1.006 181 I CA -0.436 60.984 61.300 0.199 0.000 1.265 181 I CB 1.418 39.575 38.000 0.261 0.000 1.387 181 I HN 0.737 nan 8.210 nan 0.000 0.475 182 A N 8.174 131.184 122.820 0.316 0.000 2.287 182 A HA 0.736 5.056 4.320 0.001 0.000 0.317 182 A C -0.565 177.145 177.584 0.211 0.000 1.220 182 A CA -0.452 51.746 52.037 0.269 0.000 0.835 182 A CB 0.491 19.645 19.000 0.256 0.000 1.180 182 A HN 0.692 nan 8.150 nan 0.000 0.500 183 I N 3.132 123.852 120.570 0.249 0.000 2.312 183 I HA 0.170 4.340 4.170 0.001 0.000 0.290 183 I C -0.785 175.392 176.117 0.101 0.000 1.008 183 I CA -0.560 60.831 61.300 0.152 0.000 1.226 183 I CB 1.067 39.157 38.000 0.150 0.000 1.371 183 I HN 0.697 nan 8.210 nan 0.000 0.468 184 Y N 6.634 126.878 120.300 -0.093 0.000 2.425 184 Y HA 0.223 4.774 4.550 0.001 0.000 0.347 184 Y C 0.051 175.883 175.900 -0.113 0.000 0.976 184 Y CA -1.696 56.338 58.100 -0.110 0.000 1.190 184 Y CB 0.516 38.887 38.460 -0.148 0.000 1.136 184 Y HN 0.514 nan 8.280 nan 0.000 0.517 185 D N 4.780 125.155 120.400 -0.042 0.000 2.398 185 D HA -0.017 4.623 4.640 0.001 0.000 0.250 185 D C -0.670 175.413 176.300 -0.361 0.000 1.287 185 D CA 0.173 54.056 54.000 -0.196 0.000 0.992 185 D CB -0.243 40.502 40.800 -0.091 0.000 1.071 185 D HN 0.551 nan 8.370 nan 0.000 0.514 186 D N 2.700 122.678 120.400 -0.703 0.000 2.608 186 D HA -0.029 4.612 4.640 0.001 0.000 0.224 186 D C 0.571 176.705 176.300 -0.276 0.000 1.123 186 D CA -0.310 53.232 54.000 -0.764 0.000 1.030 186 D CB -0.355 39.969 40.800 -0.793 0.000 1.093 186 D HN 0.332 nan 8.370 nan 0.000 0.497 187 N N 1.676 120.303 118.700 -0.123 0.000 2.270 187 N HA -0.039 4.702 4.740 0.001 0.000 0.198 187 N C 0.358 175.875 175.510 0.012 0.000 1.117 187 N CA -0.243 52.788 53.050 -0.031 0.000 0.845 187 N CB 0.164 38.664 38.487 0.021 0.000 0.980 187 N HN 0.033 nan 8.380 nan 0.000 0.486 188 K N -0.764 119.648 120.400 0.020 0.000 3.274 188 K HA -0.122 4.198 4.320 0.001 0.000 0.305 188 K C -0.767 175.868 176.600 0.059 0.000 1.225 188 K CA 0.879 57.189 56.287 0.039 0.000 0.904 188 K CB -1.070 31.437 32.500 0.011 0.000 1.227 188 K HN 0.428 nan 8.250 nan 0.000 0.453 189 I N -0.173 120.442 120.570 0.074 0.000 2.769 189 I HA 0.405 4.576 4.170 0.001 0.000 0.298 189 I C 0.357 176.500 176.117 0.043 0.000 1.128 189 I CA -0.445 60.894 61.300 0.065 0.000 1.031 189 I CB 2.505 40.551 38.000 0.076 0.000 1.235 189 I HN 0.161 nan 8.210 nan 0.000 0.423 190 T N 1.729 116.277 114.554 -0.011 0.000 2.681 190 T HA 0.566 4.917 4.350 0.001 0.000 0.296 190 T C 1.367 175.959 174.700 -0.179 0.000 1.157 190 T CA -0.693 61.326 62.100 -0.135 0.000 1.025 190 T CB 1.560 70.394 68.868 -0.056 0.000 1.441 190 T HN 0.356 nan 8.240 nan 0.000 0.504 191 I N 0.797 121.201 120.570 -0.278 0.000 2.069 191 I HA -0.238 3.933 4.170 0.001 0.000 0.237 191 I C 2.165 178.310 176.117 0.046 0.000 1.053 191 I CA 1.854 63.066 61.300 -0.147 0.000 1.311 191 I CB -0.491 37.458 38.000 -0.084 0.000 1.030 191 I HN 0.634 nan 8.210 nan 0.000 0.398 192 D N 0.274 120.704 120.400 0.051 0.000 2.158 192 D HA -0.056 4.585 4.640 0.001 0.000 0.197 192 D C 1.066 177.447 176.300 0.136 0.000 0.995 192 D CA 1.698 55.754 54.000 0.093 0.000 0.846 192 D CB -0.156 40.672 40.800 0.047 0.000 0.941 192 D HN 0.613 nan 8.370 nan 0.000 0.456 193 G N -1.291 107.571 108.800 0.103 0.000 2.601 193 G HA2 0.413 4.374 3.960 0.001 0.000 0.080 193 G HA3 0.413 4.374 3.960 0.001 0.000 0.080 193 G C -1.243 173.681 174.900 0.040 0.000 1.046 193 G CA 0.001 45.130 45.100 0.048 0.000 1.143 193 G HN 0.327 nan 8.290 nan 0.000 0.507 194 A N -0.186 122.643 122.820 0.014 0.000 2.304 194 A HA 0.602 4.923 4.320 0.001 0.000 0.271 194 A C 1.614 179.228 177.584 0.051 0.000 1.091 194 A CA 1.136 53.188 52.037 0.027 0.000 0.812 194 A CB 0.433 19.436 19.000 0.005 0.000 1.056 194 A HN 1.655 nan 8.150 nan 0.000 0.489 195 T N -0.944 113.651 114.554 0.069 0.000 2.951 195 T HA -0.127 4.224 4.350 0.001 0.000 0.268 195 T C 1.695 176.432 174.700 0.062 0.000 1.073 195 T CA 1.400 63.568 62.100 0.113 0.000 1.134 195 T CB -0.665 68.286 68.868 0.137 0.000 0.884 195 T HN 0.986 nan 8.240 nan 0.000 0.479 196 S N 1.128 116.840 115.700 0.019 0.000 2.469 196 S HA -0.010 4.461 4.470 0.001 0.000 0.238 196 S C 1.806 176.416 174.600 0.017 0.000 0.998 196 S CA 0.396 58.597 58.200 0.002 0.000 0.957 196 S CB -0.747 62.448 63.200 -0.008 0.000 0.764 196 S HN 0.391 nan 8.310 nan 0.000 0.514 197 I N 1.787 122.375 120.570 0.030 0.000 2.500 197 I HA -0.055 4.116 4.170 0.001 0.000 0.252 197 I C 1.993 178.137 176.117 0.045 0.000 1.142 197 I CA 1.327 62.644 61.300 0.028 0.000 1.451 197 I CB 0.154 38.168 38.000 0.022 0.000 1.093 197 I HN 0.553 nan 8.210 nan 0.000 0.430 198 S N -2.108 113.639 115.700 0.079 0.000 2.699 198 S HA 0.168 4.638 4.470 0.001 0.000 0.277 198 S C 0.321 175.041 174.600 0.201 0.000 1.062 198 S CA -0.355 57.907 58.200 0.104 0.000 1.116 198 S CB -0.065 63.185 63.200 0.084 0.000 0.977 198 S HN 0.076 nan 8.310 nan 0.000 0.498 199 F N 5.181 125.136 119.950 0.009 0.000 2.309 199 F HA 0.553 5.080 4.527 0.001 0.000 0.366 199 F C -0.469 175.344 175.800 0.021 0.000 1.104 199 F CA -1.780 56.228 58.000 0.014 0.000 1.179 199 F CB 0.832 39.844 39.000 0.020 0.000 1.437 199 F HN 0.267 nan 8.300 nan 0.000 0.528 200 D N 1.926 122.238 120.400 -0.148 0.000 2.582 200 D HA 0.047 4.687 4.640 0.001 0.000 0.246 200 D C -0.012 176.147 176.300 -0.234 0.000 1.334 200 D CA -0.235 53.620 54.000 -0.241 0.000 0.805 200 D CB -0.655 40.089 40.800 -0.094 0.000 1.087 200 D HN 0.564 nan 8.370 nan 0.000 0.499 201 E N -0.111 119.942 120.200 -0.245 0.000 2.391 201 E HA 0.161 4.512 4.350 0.001 0.000 0.255 201 E C -0.322 176.189 176.600 -0.149 0.000 1.187 201 E CA -0.627 55.698 56.400 -0.126 0.000 0.941 201 E CB 0.571 30.264 29.700 -0.011 0.000 1.010 201 E HN -0.169 nan 8.360 nan 0.000 0.458 202 D N 1.511 121.869 120.400 -0.071 0.000 2.468 202 D HA 0.054 4.695 4.640 0.001 0.000 0.218 202 D C 0.669 176.959 176.300 -0.016 0.000 1.155 202 D CA -0.338 53.635 54.000 -0.045 0.000 0.924 202 D CB 1.013 41.800 40.800 -0.021 0.000 1.029 202 D HN 0.366 nan 8.370 nan 0.000 0.515 203 V N 4.077 123.986 119.914 -0.009 0.000 2.252 203 V HA -0.334 3.787 4.120 0.001 0.000 0.249 203 V C 2.466 178.601 176.094 0.069 0.000 1.056 203 V CA 2.432 64.764 62.300 0.054 0.000 1.022 203 V CB -0.654 31.198 31.823 0.049 0.000 0.641 203 V HN 0.680 nan 8.190 nan 0.000 0.445 204 A N -0.569 122.285 122.820 0.056 0.000 1.908 204 A HA -0.305 4.016 4.320 0.001 0.000 0.218 204 A C 2.361 179.978 177.584 0.054 0.000 1.181 204 A CA 2.356 54.428 52.037 0.058 0.000 0.627 204 A CB -0.531 18.543 19.000 0.124 0.000 0.818 204 A HN 0.565 nan 8.150 nan 0.000 0.445 205 K N -0.597 119.820 120.400 0.030 0.000 2.155 205 K HA -0.107 4.213 4.320 0.001 0.000 0.203 205 K C 2.281 178.833 176.600 -0.079 0.000 1.052 205 K CA 1.157 57.443 56.287 -0.003 0.000 0.948 205 K CB -0.162 32.335 32.500 -0.005 0.000 0.728 205 K HN 0.457 nan 8.250 nan 0.000 0.448 206 R N -0.640 119.787 120.500 -0.122 0.000 2.075 206 R HA -0.137 4.203 4.340 0.001 0.000 0.232 206 R C 1.785 177.694 176.300 -0.651 0.000 1.126 206 R CA 1.476 57.377 56.100 -0.331 0.000 0.963 206 R CB -0.248 29.906 30.300 -0.243 0.000 0.858 206 R HN 0.222 nan 8.270 nan 0.000 0.435 207 Y N 0.963 121.004 120.300 -0.433 0.000 2.395 207 Y HA -0.034 4.517 4.550 0.001 0.000 0.293 207 Y C 2.096 177.953 175.900 -0.072 0.000 1.123 207 Y CA 1.253 59.137 58.100 -0.360 0.000 1.227 207 Y CB 0.209 38.477 38.460 -0.320 0.000 1.012 207 Y HN 0.181 nan 8.280 nan 0.000 0.552 208 E N -0.469 119.769 120.200 0.063 0.000 2.106 208 E HA -0.189 4.162 4.350 0.001 0.000 0.192 208 E C 2.385 179.012 176.600 0.045 0.000 0.984 208 E CA 0.830 57.291 56.400 0.102 0.000 0.806 208 E CB -0.203 29.543 29.700 0.077 0.000 0.750 208 E HN 0.446 nan 8.360 nan 0.000 0.458 209 A N 0.952 123.720 122.820 -0.088 0.000 1.940 209 A HA -0.205 4.116 4.320 0.001 0.000 0.219 209 A C 1.812 179.414 177.584 0.029 0.000 1.176 209 A CA 1.289 53.281 52.037 -0.074 0.000 0.631 209 A CB -0.744 18.155 19.000 -0.168 0.000 0.814 209 A HN 0.234 nan 8.150 nan 0.000 0.446 210 Y N -0.964 119.368 120.300 0.052 0.000 2.224 210 Y HA 0.146 4.696 4.550 0.001 0.000 0.289 210 Y C 2.173 178.186 175.900 0.188 0.000 1.146 210 Y CA 0.689 58.855 58.100 0.110 0.000 1.182 210 Y CB -0.686 37.866 38.460 0.153 0.000 0.983 210 Y HN 0.507 nan 8.280 nan 0.000 0.524 211 G N -3.604 105.426 108.800 0.383 0.000 2.173 211 G HA2 -0.177 3.784 3.960 0.001 0.000 0.142 211 G HA3 -0.177 3.784 3.960 0.001 0.000 0.142 211 G C -0.528 174.534 174.900 0.270 0.000 1.019 211 G CA -0.684 44.565 45.100 0.248 0.000 0.699 211 G HN 0.121 nan 8.290 nan 0.000 0.495 212 W N 1.438 122.836 121.300 0.164 0.000 2.313 212 W HA 0.624 5.285 4.660 0.001 0.000 0.328 212 W C 0.669 177.262 176.519 0.123 0.000 1.197 212 W CA -0.704 56.747 57.345 0.176 0.000 1.235 212 W CB 0.762 30.414 29.460 0.320 0.000 1.158 212 W HN 0.227 nan 8.180 nan 0.000 0.578 213 E N 1.556 121.940 120.200 0.308 0.000 2.313 213 E HA 0.362 4.712 4.350 0.001 0.000 0.276 213 E C -1.280 175.437 176.600 0.196 0.000 1.031 213 E CA -0.246 56.273 56.400 0.198 0.000 0.857 213 E CB 0.853 30.634 29.700 0.134 0.000 1.040 213 E HN 0.238 nan 8.360 nan 0.000 0.408 214 V N 6.461 126.431 119.914 0.093 0.000 2.409 214 V HA 0.368 4.489 4.120 0.001 0.000 0.291 214 V C 0.043 176.015 176.094 -0.203 0.000 1.020 214 V CA -0.627 61.630 62.300 -0.071 0.000 0.848 214 V CB 1.124 32.871 31.823 -0.126 0.000 0.990 214 V HN 0.657 nan 8.190 nan 0.000 0.430 215 L N 4.315 125.386 121.223 -0.253 0.000 2.271 215 L HA 0.752 5.092 4.340 0.001 0.000 0.265 215 L C -1.292 175.364 176.870 -0.357 0.000 1.013 215 L CA -0.923 53.824 54.840 -0.154 0.000 0.820 215 L CB 2.066 44.130 42.059 0.008 0.000 1.352 215 L HN 0.492 nan 8.230 nan 0.000 0.443 216 Y N -0.860 119.455 120.300 0.025 0.000 2.562 216 Y HA 0.600 5.150 4.550 0.001 0.000 0.345 216 Y C -0.638 175.256 175.900 -0.009 0.000 1.045 216 Y CA -0.969 57.132 58.100 0.002 0.000 1.028 216 Y CB 2.106 40.563 38.460 -0.004 0.000 1.297 216 Y HN -0.005 nan 8.280 nan 0.000 0.463 217 V N 2.013 121.996 119.914 0.115 0.000 2.445 217 V HA 0.184 4.305 4.120 0.001 0.000 0.283 217 V C 0.514 176.619 176.094 0.019 0.000 1.014 217 V CA -0.695 61.632 62.300 0.046 0.000 0.852 217 V CB 1.462 33.284 31.823 -0.001 0.000 1.021 217 V HN 0.906 nan 8.190 nan 0.000 0.435 218 E N 4.530 124.741 120.200 0.019 0.000 2.058 218 E HA -0.190 4.161 4.350 0.001 0.000 0.194 218 E C 1.160 177.743 176.600 -0.029 0.000 0.997 218 E CA 1.777 58.173 56.400 -0.006 0.000 0.801 218 E CB 0.112 29.806 29.700 -0.010 0.000 0.746 218 E HN 0.666 nan 8.360 nan 0.000 0.450 219 N N -0.241 118.437 118.700 -0.036 0.000 3.112 219 N HA 0.199 4.940 4.740 0.001 0.000 0.270 219 N C 0.134 175.589 175.510 -0.091 0.000 1.385 219 N CA 0.330 53.345 53.050 -0.058 0.000 0.986 219 N CB 0.678 39.136 38.487 -0.048 0.000 1.261 219 N HN 0.189 nan 8.380 nan 0.000 0.495 220 G N 1.020 109.758 108.800 -0.104 0.000 2.708 220 G HA2 -0.167 3.793 3.960 0.001 0.000 0.210 220 G HA3 -0.167 3.793 3.960 0.001 0.000 0.210 220 G C 1.096 175.879 174.900 -0.195 0.000 1.141 220 G CA 0.112 45.131 45.100 -0.136 0.000 0.788 220 G HN 0.481 nan 8.290 nan 0.000 0.531 221 N N 0.155 118.711 118.700 -0.240 0.000 2.395 221 N HA 0.017 4.757 4.740 0.001 0.000 0.175 221 N C 1.421 176.666 175.510 -0.442 0.000 1.029 221 N CA 0.769 53.551 53.050 -0.446 0.000 0.897 221 N CB 0.361 38.480 38.487 -0.614 0.000 0.991 221 N HN 0.476 nan 8.380 nan 0.000 0.441 222 E N -0.474 119.568 120.200 -0.263 0.000 2.535 222 E HA 0.039 4.390 4.350 0.001 0.000 0.216 222 E C -0.594 175.914 176.600 -0.153 0.000 0.845 222 E CA -0.100 56.181 56.400 -0.198 0.000 1.306 222 E CB 0.661 30.288 29.700 -0.122 0.000 1.291 222 E HN -0.036 nan 8.360 nan 0.000 0.635 223 D N 1.597 121.916 120.400 -0.135 0.000 2.713 223 D HA 0.095 4.735 4.640 0.001 0.000 0.229 223 D C 1.071 177.286 176.300 -0.141 0.000 1.136 223 D CA 0.065 54.003 54.000 -0.103 0.000 1.010 223 D CB 0.018 40.780 40.800 -0.064 0.000 1.084 223 D HN 0.135 nan 8.370 nan 0.000 0.495 224 L N 1.014 122.092 121.223 -0.242 0.000 2.081 224 L HA -0.252 4.089 4.340 0.001 0.000 0.212 224 L C 2.415 179.116 176.870 -0.282 0.000 1.080 224 L CA 1.334 55.887 54.840 -0.478 0.000 0.754 224 L CB -0.498 40.974 42.059 -0.978 0.000 0.893 224 L HN 0.303 nan 8.230 nan 0.000 0.433 225 A N 0.472 123.281 122.820 -0.018 0.000 1.883 225 A HA -0.152 4.169 4.320 0.001 0.000 0.217 225 A C 2.427 180.084 177.584 0.121 0.000 1.186 225 A CA 1.964 54.115 52.037 0.190 0.000 0.624 225 A CB -1.234 17.853 19.000 0.145 0.000 0.822 225 A HN 0.450 nan 8.150 nan 0.000 0.444 226 G N 0.024 108.851 108.800 0.045 0.000 2.414 226 G HA2 -0.145 3.815 3.960 0.001 0.000 0.215 226 G HA3 -0.145 3.815 3.960 0.001 0.000 0.215 226 G C 1.534 176.458 174.900 0.039 0.000 1.188 226 G CA 1.022 46.144 45.100 0.037 0.000 0.783 226 G HN 0.468 nan 8.290 nan 0.000 0.537 227 I N 1.716 122.290 120.570 0.007 0.000 2.113 227 I HA -0.295 3.876 4.170 0.001 0.000 0.242 227 I C 3.325 179.474 176.117 0.054 0.000 1.064 227 I CA 1.334 62.639 61.300 0.009 0.000 1.320 227 I CB -0.536 37.442 38.000 -0.037 0.000 1.028 227 I HN 0.254 nan 8.210 nan 0.000 0.406 228 A N 0.683 123.565 122.820 0.102 0.000 1.940 228 A HA -0.275 4.046 4.320 0.001 0.000 0.219 228 A C 2.399 180.047 177.584 0.107 0.000 1.176 228 A CA 2.139 54.273 52.037 0.162 0.000 0.631 228 A CB -0.554 18.657 19.000 0.352 0.000 0.814 228 A HN 0.412 nan 8.150 nan 0.000 0.446 229 K N -0.704 119.753 120.400 0.096 0.000 2.228 229 K HA 0.103 4.424 4.320 0.001 0.000 0.202 229 K C 2.033 178.670 176.600 0.062 0.000 1.051 229 K CA 0.892 57.222 56.287 0.072 0.000 0.960 229 K CB -0.223 32.319 32.500 0.070 0.000 0.743 229 K HN 0.391 nan 8.250 nan 0.000 0.458 230 A N 1.139 123.996 122.820 0.062 0.000 1.854 230 A HA -0.055 4.265 4.320 0.001 0.000 0.214 230 A C 2.003 179.623 177.584 0.061 0.000 1.192 230 A CA 1.054 53.128 52.037 0.061 0.000 0.611 230 A CB -0.503 18.531 19.000 0.057 0.000 0.832 230 A HN 0.261 nan 8.150 nan 0.000 0.442 231 I N 0.093 120.699 120.570 0.060 0.000 2.208 231 I HA -0.324 3.847 4.170 0.001 0.000 0.245 231 I C 2.976 179.110 176.117 0.029 0.000 1.097 231 I CA 1.154 62.487 61.300 0.056 0.000 1.363 231 I CB -0.382 37.636 38.000 0.029 0.000 1.051 231 I HN 0.370 nan 8.210 nan 0.000 0.413 232 A N -0.006 122.830 122.820 0.027 0.000 1.908 232 A HA -0.301 4.019 4.320 0.001 0.000 0.218 232 A C 2.325 179.923 177.584 0.022 0.000 1.181 232 A CA 2.016 54.063 52.037 0.016 0.000 0.627 232 A CB -0.709 18.309 19.000 0.030 0.000 0.818 232 A HN 0.537 nan 8.150 nan 0.000 0.445 233 Q N -0.931 118.891 119.800 0.038 0.000 2.245 233 Q HA 0.024 4.364 4.340 0.001 0.000 0.201 233 Q C 2.116 178.145 176.000 0.047 0.000 0.955 233 Q CA 1.006 56.836 55.803 0.044 0.000 0.870 233 Q CB -0.270 28.500 28.738 0.053 0.000 0.945 233 Q HN 0.615 nan 8.270 nan 0.000 0.461 234 A N 1.492 124.341 122.820 0.049 0.000 1.902 234 A HA -0.165 4.156 4.320 0.001 0.000 0.217 234 A C 1.811 179.419 177.584 0.039 0.000 1.181 234 A CA 1.409 53.481 52.037 0.059 0.000 0.623 234 A CB -0.309 18.739 19.000 0.080 0.000 0.818 234 A HN 0.277 nan 8.150 nan 0.000 0.443 235 K N -0.091 120.302 120.400 -0.012 0.000 2.515 235 K HA 0.069 4.390 4.320 0.001 0.000 0.196 235 K C 1.215 177.856 176.600 0.069 0.000 1.038 235 K CA 0.559 56.820 56.287 -0.044 0.000 0.967 235 K CB -0.253 32.113 32.500 -0.223 0.000 0.780 235 K HN 0.515 nan 8.250 nan 0.000 0.483 236 L N 1.039 122.297 121.223 0.057 0.000 2.446 236 L HA -0.022 4.318 4.340 0.001 0.000 0.219 236 L C 1.528 178.435 176.870 0.061 0.000 1.116 236 L CA 0.151 55.028 54.840 0.062 0.000 0.844 236 L CB -0.309 41.779 42.059 0.050 0.000 0.970 236 L HN 0.073 nan 8.230 nan 0.000 0.457 237 S N 0.764 116.502 115.700 0.062 0.000 3.571 237 S HA -0.092 4.378 4.470 0.001 0.000 0.202 237 S C 1.237 175.860 174.600 0.038 0.000 1.004 237 S CA -0.155 58.075 58.200 0.050 0.000 1.098 237 S CB -0.538 62.694 63.200 0.052 0.000 1.389 237 S HN 0.331 nan 8.310 nan 0.000 0.452 238 K N 1.484 121.906 120.400 0.036 0.000 2.281 238 K HA -0.086 4.234 4.320 0.001 0.000 0.203 238 K C 0.922 177.520 176.600 -0.002 0.000 1.046 238 K CA 1.362 57.662 56.287 0.022 0.000 0.938 238 K CB -0.399 32.114 32.500 0.021 0.000 0.737 238 K HN 0.743 nan 8.250 nan 0.000 0.458 239 D N -0.215 120.180 120.400 -0.008 0.000 2.740 239 D HA 0.115 4.756 4.640 0.001 0.000 0.301 239 D C -0.783 175.489 176.300 -0.047 0.000 1.408 239 D CA -0.476 53.509 54.000 -0.026 0.000 0.808 239 D CB 0.141 40.929 40.800 -0.020 0.000 1.128 239 D HN -0.013 nan 8.370 nan 0.000 0.465 240 K N 1.406 121.774 120.400 -0.053 0.000 2.535 240 K HA 0.364 4.685 4.320 0.001 0.000 0.250 240 K C -2.982 173.538 176.600 -0.133 0.000 0.948 240 K CA -1.683 54.559 56.287 -0.075 0.000 0.796 240 K CB 3.142 35.643 32.500 0.001 0.000 1.216 240 K HN -0.075 nan 8.250 nan 0.000 0.432 241 P HA 0.022 nan 4.420 nan 0.000 0.269 241 P C -0.699 176.562 177.300 -0.065 0.000 1.215 241 P CA -0.069 62.752 63.100 -0.465 0.000 0.780 241 P CB 0.621 31.534 31.700 -1.312 0.000 0.898 242 T N 2.658 117.306 114.554 0.157 0.000 2.824 242 T HA 0.438 4.788 4.350 0.001 0.000 0.282 242 T C -0.347 174.628 174.700 0.459 0.000 0.993 242 T CA -0.426 61.864 62.100 0.317 0.000 0.967 242 T CB 0.974 69.944 68.868 0.170 0.000 0.960 242 T HN 0.216 nan 8.240 nan 0.000 0.441 243 L N 3.863 125.284 121.223 0.329 0.000 2.307 243 L HA 0.672 5.013 4.340 0.001 0.000 0.284 243 L C -1.141 175.728 176.870 -0.002 0.000 1.023 243 L CA -0.569 54.306 54.840 0.059 0.000 0.810 243 L CB 0.762 42.651 42.059 -0.284 0.000 1.231 243 L HN 0.652 nan 8.230 nan 0.000 0.423 244 I N 5.236 125.809 120.570 0.007 0.000 2.359 244 I HA 0.307 4.477 4.170 0.001 0.000 0.284 244 I C -0.110 175.974 176.117 -0.055 0.000 1.018 244 I CA -0.493 60.789 61.300 -0.029 0.000 1.173 244 I CB 1.050 39.072 38.000 0.038 0.000 1.326 244 I HN 0.542 nan 8.210 nan 0.000 0.462 245 K N 8.488 128.804 120.400 -0.139 0.000 2.262 245 K HA 0.327 4.648 4.320 0.001 0.000 0.288 245 K C -0.561 175.974 176.600 -0.108 0.000 1.090 245 K CA -0.313 55.909 56.287 -0.108 0.000 0.918 245 K CB 0.526 32.955 32.500 -0.120 0.000 1.139 245 K HN 0.594 nan 8.250 nan 0.000 0.462 246 M N 4.461 123.961 119.600 -0.167 0.000 2.066 246 M HA 0.187 4.668 4.480 0.001 0.000 0.340 246 M C -1.026 175.153 176.300 -0.202 0.000 1.053 246 M CA -0.222 54.992 55.300 -0.144 0.000 0.983 246 M CB 1.229 33.747 32.600 -0.136 0.000 1.520 246 M HN 0.330 nan 8.290 nan 0.000 0.428 247 T N 3.885 118.353 114.554 -0.143 0.000 2.780 247 T HA 0.467 4.818 4.350 0.001 0.000 0.294 247 T C 0.279 174.908 174.700 -0.117 0.000 0.949 247 T CA -0.352 61.663 62.100 -0.142 0.000 1.074 247 T CB 0.807 69.622 68.868 -0.087 0.000 0.910 247 T HN 0.809 nan 8.240 nan 0.000 0.501 248 T N -0.220 114.268 114.554 -0.110 0.000 2.716 248 T HA 0.679 5.029 4.350 0.001 0.000 0.286 248 T C -0.750 173.941 174.700 -0.016 0.000 1.052 248 T CA -0.833 61.219 62.100 -0.079 0.000 1.024 248 T CB 1.744 70.554 68.868 -0.096 0.000 1.349 248 T HN 0.351 nan 8.240 nan 0.000 0.525 249 T N 1.630 116.213 114.554 0.048 0.000 2.809 249 T HA 0.498 4.848 4.350 0.001 0.000 0.284 249 T C 0.021 174.799 174.700 0.130 0.000 0.992 249 T CA -0.533 61.631 62.100 0.106 0.000 0.957 249 T CB 0.775 69.752 68.868 0.183 0.000 0.942 249 T HN 0.763 nan 8.240 nan 0.000 0.439 250 I N 2.926 123.559 120.570 0.106 0.000 2.741 250 I HA 0.297 4.468 4.170 0.001 0.000 0.288 250 I C 1.265 177.459 176.117 0.128 0.000 1.192 250 I CA 1.484 62.858 61.300 0.124 0.000 1.426 250 I CB 0.049 38.128 38.000 0.132 0.000 1.367 250 I HN 1.010 nan 8.210 nan 0.000 0.563 251 G N 4.971 113.850 108.800 0.132 0.000 2.159 251 G HA2 -0.370 3.590 3.960 0.001 0.000 0.256 251 G HA3 -0.370 3.590 3.960 0.001 0.000 0.256 251 G C 0.304 175.254 174.900 0.085 0.000 0.977 251 G CA 0.199 45.360 45.100 0.102 0.000 0.652 251 G HN 0.846 nan 8.290 nan 0.000 0.531 252 Y N 0.903 121.231 120.300 0.047 0.000 2.846 252 Y HA 0.166 4.716 4.550 0.001 0.000 0.382 252 Y C 1.725 177.683 175.900 0.097 0.000 1.265 252 Y CA 2.478 60.612 58.100 0.057 0.000 1.639 252 Y CB -0.264 38.229 38.460 0.055 0.000 1.128 252 Y HN 1.481 nan 8.280 nan 0.000 0.531 253 G N 2.729 111.119 108.800 -0.683 0.000 2.349 253 G HA2 -0.285 3.676 3.960 0.001 0.000 0.213 253 G HA3 -0.285 3.676 3.960 0.001 0.000 0.213 253 G C 0.371 175.048 174.900 -0.371 0.000 1.044 253 G CA 0.004 44.794 45.100 -0.517 0.000 0.633 253 G HN 1.081 nan 8.290 nan 0.000 0.506 254 S N 0.765 116.331 115.700 -0.222 0.000 2.549 254 S HA 0.361 4.832 4.470 0.001 0.000 0.283 254 S C 1.685 176.135 174.600 -0.250 0.000 1.320 254 S CA 0.374 58.455 58.200 -0.198 0.000 1.058 254 S CB 0.926 64.069 63.200 -0.094 0.000 0.882 254 S HN 1.211 nan 8.310 nan 0.000 0.498 255 L N 4.707 125.728 121.223 -0.338 0.000 2.456 255 L HA -0.078 4.262 4.340 0.001 0.000 0.225 255 L C 0.838 177.423 176.870 -0.475 0.000 1.142 255 L CA 1.968 56.548 54.840 -0.433 0.000 0.796 255 L CB -0.614 41.118 42.059 -0.544 0.000 0.920 255 L HN 0.885 nan 8.230 nan 0.000 0.446 256 H N -1.552 117.491 119.070 -0.044 0.000 2.549 256 H HA 0.518 5.074 4.556 0.001 0.000 0.253 256 H C 0.528 175.856 175.328 0.000 0.000 1.170 256 H CA -0.143 55.897 56.048 -0.014 0.000 0.943 256 H CB 0.117 29.882 29.762 0.005 0.000 1.849 256 H HN 0.253 nan 8.280 nan 0.000 0.603 257 A N 0.777 123.617 122.820 0.033 0.000 2.520 257 A HA 0.425 4.745 4.320 0.001 0.000 0.245 257 A C 1.601 179.221 177.584 0.061 0.000 1.072 257 A CA 0.878 52.934 52.037 0.033 0.000 0.761 257 A CB -0.425 18.554 19.000 -0.034 0.000 1.004 257 A HN 0.788 nan 8.150 nan 0.000 0.499 258 G N 1.151 110.001 108.800 0.084 0.000 2.217 258 G HA2 -0.204 3.757 3.960 0.001 0.000 0.246 258 G HA3 -0.204 3.757 3.960 0.001 0.000 0.246 258 G C 0.707 175.661 174.900 0.090 0.000 0.990 258 G CA 0.583 45.730 45.100 0.078 0.000 0.627 258 G HN 1.571 nan 8.290 nan 0.000 0.522 259 S N 0.450 116.220 115.700 0.117 0.000 2.601 259 S HA 0.471 4.942 4.470 0.001 0.000 0.271 259 S C 1.730 176.455 174.600 0.209 0.000 1.305 259 S CA 0.528 58.816 58.200 0.146 0.000 1.022 259 S CB 0.544 63.835 63.200 0.152 0.000 0.940 259 S HN 0.755 nan 8.310 nan 0.000 0.525 260 H N 2.412 121.510 119.070 0.046 0.000 2.546 260 H HA 0.113 4.670 4.556 0.001 0.000 0.277 260 H C 1.455 176.835 175.328 0.087 0.000 1.004 260 H CA 1.408 57.490 56.048 0.057 0.000 1.231 260 H CB -0.874 28.903 29.762 0.025 0.000 1.382 260 H HN 0.421 nan 8.280 nan 0.000 0.580 261 S N 0.225 115.979 115.700 0.090 0.000 2.423 261 S HA -0.011 4.459 4.470 0.001 0.000 0.231 261 S C 1.845 176.460 174.600 0.025 0.000 1.014 261 S CA 0.825 59.002 58.200 -0.038 0.000 0.965 261 S CB -0.053 63.158 63.200 0.019 0.000 0.785 261 S HN 0.309 nan 8.310 nan 0.000 0.495 262 V N 1.670 121.642 119.914 0.096 0.000 3.577 262 V HA 0.067 4.188 4.120 0.001 0.000 0.294 262 V C 1.625 177.789 176.094 0.117 0.000 1.317 262 V CA 0.588 62.946 62.300 0.097 0.000 1.169 262 V CB -0.768 31.125 31.823 0.116 0.000 1.011 262 V HN 0.560 nan 8.190 nan 0.000 0.426 263 H N 0.891 119.987 119.070 0.043 0.000 2.448 263 H HA 0.160 4.716 4.556 0.001 0.000 0.292 263 H C 1.666 177.068 175.328 0.124 0.000 1.035 263 H CA 1.622 57.718 56.048 0.080 0.000 1.349 263 H CB 0.394 30.182 29.762 0.043 0.000 1.425 263 H HN 0.335 nan 8.280 nan 0.000 0.539 264 G N -0.989 107.671 108.800 -0.234 0.000 4.908 264 G HA2 0.565 4.525 3.960 0.001 0.000 0.267 264 G HA3 0.565 4.525 3.960 0.001 0.000 0.267 264 G C -0.816 173.874 174.900 -0.350 0.000 0.958 264 G CA 0.224 45.042 45.100 -0.470 0.000 0.743 264 G HN 0.585 nan 8.290 nan 0.000 0.410 265 A N 0.279 122.983 122.820 -0.194 0.000 2.572 265 A HA 0.917 5.238 4.320 0.001 0.000 0.295 265 A C -3.177 174.365 177.584 -0.070 0.000 1.072 265 A CA -1.417 50.543 52.037 -0.129 0.000 0.691 265 A CB 1.707 20.657 19.000 -0.084 0.000 1.291 265 A HN 0.002 nan 8.150 nan 0.000 0.404 266 P HA 0.300 nan 4.420 nan 0.000 0.268 266 P C -0.615 176.689 177.300 0.006 0.000 1.205 266 P CA -0.037 63.059 63.100 -0.005 0.000 0.771 266 P CB 0.259 31.965 31.700 0.010 0.000 0.858 267 L N 2.752 123.981 121.223 0.010 0.000 2.499 267 L HA 0.085 4.425 4.340 0.001 0.000 0.273 267 L C 1.182 178.061 176.870 0.016 0.000 1.195 267 L CA -0.241 54.609 54.840 0.017 0.000 0.882 267 L CB -0.188 41.866 42.059 -0.007 0.000 1.133 267 L HN 0.271 nan 8.230 nan 0.000 0.483 268 K N 2.341 122.762 120.400 0.035 0.000 2.489 268 K HA 0.021 4.342 4.320 0.001 0.000 0.278 268 K C 1.135 177.740 176.600 0.008 0.000 1.000 268 K CA 0.567 56.871 56.287 0.028 0.000 1.012 268 K CB 0.946 33.478 32.500 0.054 0.000 0.903 268 K HN 0.781 nan 8.250 nan 0.000 0.485 269 A N 4.581 127.405 122.820 0.006 0.000 1.916 269 A HA -0.334 3.986 4.320 0.001 0.000 0.224 269 A C 1.636 179.212 177.584 -0.015 0.000 1.366 269 A CA 2.778 54.815 52.037 -0.001 0.000 0.692 269 A CB -0.779 18.224 19.000 0.006 0.000 0.841 269 A HN 0.865 nan 8.150 nan 0.000 0.480 270 D N -1.158 119.233 120.400 -0.015 0.000 2.117 270 D HA -0.082 4.559 4.640 0.001 0.000 0.198 270 D C 1.703 177.969 176.300 -0.057 0.000 0.982 270 D CA 1.295 55.277 54.000 -0.030 0.000 0.828 270 D CB -0.262 40.525 40.800 -0.023 0.000 0.967 270 D HN 0.581 nan 8.370 nan 0.000 0.464 271 D N 0.030 120.391 120.400 -0.065 0.000 2.221 271 D HA -0.129 4.511 4.640 0.001 0.000 0.204 271 D C 1.753 177.987 176.300 -0.111 0.000 0.982 271 D CA 0.602 54.532 54.000 -0.116 0.000 0.857 271 D CB 0.113 40.839 40.800 -0.124 0.000 0.934 271 D HN 0.075 nan 8.370 nan 0.000 0.475 272 V N 0.107 119.977 119.914 -0.074 0.000 2.591 272 V HA -0.099 4.021 4.120 0.001 0.000 0.249 272 V C 2.415 178.465 176.094 -0.074 0.000 1.053 272 V CA 1.232 63.488 62.300 -0.073 0.000 1.068 272 V CB -0.331 31.462 31.823 -0.051 0.000 0.689 272 V HN 0.165 nan 8.190 nan 0.000 0.462 273 K N 0.822 121.187 120.400 -0.059 0.000 2.057 273 K HA -0.254 4.066 4.320 0.001 0.000 0.207 273 K C 2.299 178.856 176.600 -0.073 0.000 1.049 273 K CA 1.861 58.120 56.287 -0.048 0.000 0.931 273 K CB -0.210 32.270 32.500 -0.033 0.000 0.714 273 K HN 0.675 nan 8.250 nan 0.000 0.440 274 Q N 1.269 121.007 119.800 -0.105 0.000 2.079 274 Q HA -0.142 4.199 4.340 0.001 0.000 0.200 274 Q C 1.994 177.871 176.000 -0.205 0.000 0.974 274 Q CA 1.348 57.068 55.803 -0.139 0.000 0.840 274 Q CB -0.658 27.988 28.738 -0.154 0.000 0.898 274 Q HN 0.276 nan 8.270 nan 0.000 0.430 275 L N -0.031 121.049 121.223 -0.238 0.000 2.046 275 L HA -0.176 4.164 4.340 0.001 0.000 0.208 275 L C 2.130 178.842 176.870 -0.262 0.000 1.077 275 L CA 1.643 56.265 54.840 -0.364 0.000 0.747 275 L CB -0.123 41.782 42.059 -0.257 0.000 0.896 275 L HN 0.226 nan 8.230 nan 0.000 0.432 276 K N -0.687 119.655 120.400 -0.097 0.000 2.032 276 K HA -0.153 4.168 4.320 0.001 0.000 0.209 276 K C 2.115 178.756 176.600 0.068 0.000 1.048 276 K CA 1.778 58.078 56.287 0.022 0.000 0.927 276 K CB -0.217 32.312 32.500 0.049 0.000 0.712 276 K HN 0.295 nan 8.250 nan 0.000 0.441 277 S N 1.319 117.017 115.700 -0.004 0.000 2.365 277 S HA -0.228 4.242 4.470 0.001 0.000 0.221 277 S C 1.907 176.498 174.600 -0.014 0.000 1.037 277 S CA 1.569 59.770 58.200 0.001 0.000 1.060 277 S CB -0.303 62.874 63.200 -0.037 0.000 0.974 277 S HN 0.322 nan 8.310 nan 0.000 0.427 278 K N 0.083 120.403 120.400 -0.134 0.000 2.127 278 K HA -0.158 4.163 4.320 0.001 0.000 0.208 278 K C 1.282 177.856 176.600 -0.043 0.000 1.047 278 K CA 1.500 57.673 56.287 -0.190 0.000 0.927 278 K CB -0.247 31.990 32.500 -0.438 0.000 0.716 278 K HN 0.279 nan 8.250 nan 0.000 0.450 279 F N -0.172 119.798 119.950 0.034 0.000 2.797 279 F HA 0.223 4.750 4.527 0.001 0.000 0.302 279 F C 1.558 177.511 175.800 0.255 0.000 1.130 279 F CA 0.620 58.672 58.000 0.087 0.000 1.387 279 F CB 0.265 39.241 39.000 -0.040 0.000 1.107 279 F HN 0.361 nan 8.300 nan 0.000 0.577 280 G N -0.514 108.506 108.800 0.366 0.000 2.131 280 G HA2 -0.262 3.698 3.960 0.001 0.000 0.223 280 G HA3 -0.262 3.698 3.960 0.001 0.000 0.223 280 G C 0.001 175.021 174.900 0.200 0.000 0.990 280 G CA -0.475 44.764 45.100 0.232 0.000 0.671 280 G HN 0.129 nan 8.290 nan 0.000 0.521 281 F N 0.109 120.087 119.950 0.047 0.000 2.497 281 F HA 0.654 5.182 4.527 0.002 0.000 0.331 281 F C 0.498 176.306 175.800 0.012 0.000 1.060 281 F CA -1.920 56.096 58.000 0.027 0.000 0.989 281 F CB 1.134 40.156 39.000 0.036 0.000 1.245 281 F HN -0.002 nan 8.300 nan 0.000 0.486 282 N N 3.783 122.589 118.700 0.176 0.000 2.411 282 N HA 0.170 4.910 4.740 0.001 0.000 0.259 282 N C -1.741 173.821 175.510 0.087 0.000 1.103 282 N CA -2.224 50.883 53.050 0.094 0.000 0.954 282 N CB 0.870 39.391 38.487 0.057 0.000 1.085 282 N HN 0.164 nan 8.380 nan 0.000 0.485 283 P HA -0.135 nan 4.420 nan 0.000 0.223 283 P C -0.421 176.896 177.300 0.028 0.000 1.140 283 P CA 1.262 64.380 63.100 0.029 0.000 0.783 283 P CB 0.403 32.109 31.700 0.010 0.000 0.759 284 D N -1.468 118.953 120.400 0.036 0.000 2.395 284 D HA 0.121 4.762 4.640 0.001 0.000 0.213 284 D C 0.455 176.785 176.300 0.050 0.000 1.110 284 D CA 0.221 54.243 54.000 0.036 0.000 0.835 284 D CB 0.336 41.154 40.800 0.029 0.000 0.965 284 D HN 0.122 nan 8.370 nan 0.000 0.505 285 K N 0.247 120.685 120.400 0.063 0.000 2.375 285 K HA 0.609 4.929 4.320 0.001 0.000 0.249 285 K C -0.766 175.886 176.600 0.086 0.000 0.942 285 K CA -0.712 55.623 56.287 0.080 0.000 0.806 285 K CB 2.381 34.931 32.500 0.084 0.000 1.227 285 K HN -0.019 nan 8.250 nan 0.000 0.430 286 S N 0.238 116.006 115.700 0.113 0.000 2.599 286 S HA 0.576 5.047 4.470 0.001 0.000 0.287 286 S C -0.178 174.542 174.600 0.201 0.000 1.105 286 S CA -0.732 57.525 58.200 0.094 0.000 0.899 286 S CB 0.651 63.940 63.200 0.148 0.000 1.100 286 S HN 0.648 nan 8.310 nan 0.000 0.482 287 F N -0.678 119.305 119.950 0.056 0.000 3.067 287 F HA -0.152 4.375 4.527 0.000 0.000 0.279 287 F C -0.004 175.848 175.800 0.088 0.000 0.945 287 F CA 0.152 58.186 58.000 0.056 0.000 0.948 287 F CB -1.884 37.137 39.000 0.035 0.000 0.898 287 F HN 0.441 nan 8.300 nan 0.000 0.746 288 V N 1.011 121.027 119.914 0.169 0.000 2.383 288 V HA 0.527 4.648 4.120 0.001 0.000 0.275 288 V C 0.278 176.476 176.094 0.175 0.000 1.036 288 V CA -0.764 61.644 62.300 0.180 0.000 0.889 288 V CB 1.747 33.682 31.823 0.187 0.000 0.985 288 V HN 0.000 nan 8.190 nan 0.000 0.459 289 V N 6.947 126.936 119.914 0.124 0.000 2.409 289 V HA 0.348 4.469 4.120 0.001 0.000 0.290 289 V C -2.267 173.803 176.094 -0.041 0.000 1.017 289 V CA -1.854 60.447 62.300 0.001 0.000 0.841 289 V CB 1.669 33.395 31.823 -0.162 0.000 1.003 289 V HN 0.779 nan 8.190 nan 0.000 0.426 290 P HA -0.056 nan 4.420 nan 0.000 0.261 290 P C 0.720 177.991 177.300 -0.048 0.000 1.165 290 P CA 0.314 63.371 63.100 -0.072 0.000 0.759 290 P CB 0.585 32.216 31.700 -0.115 0.000 0.772 291 Q N 2.661 122.484 119.800 0.039 0.000 2.181 291 Q HA -0.240 4.100 4.340 0.001 0.000 0.205 291 Q C 1.348 177.399 176.000 0.085 0.000 0.980 291 Q CA 1.841 57.722 55.803 0.130 0.000 0.862 291 Q CB -0.335 28.469 28.738 0.111 0.000 0.905 291 Q HN 0.412 nan 8.270 nan 0.000 0.429 292 E N -1.213 118.993 120.200 0.009 0.000 2.153 292 E HA -0.122 4.229 4.350 0.001 0.000 0.194 292 E C 1.817 178.400 176.600 -0.028 0.000 0.988 292 E CA 1.252 57.647 56.400 -0.009 0.000 0.811 292 E CB -0.109 29.560 29.700 -0.051 0.000 0.746 292 E HN 0.251 nan 8.360 nan 0.000 0.466 293 V N -0.108 119.753 119.914 -0.088 0.000 2.346 293 V HA -0.223 3.898 4.120 0.001 0.000 0.244 293 V C 1.704 177.779 176.094 -0.031 0.000 1.037 293 V CA 1.429 63.636 62.300 -0.155 0.000 1.029 293 V CB -0.698 31.010 31.823 -0.191 0.000 0.663 293 V HN 0.196 nan 8.190 nan 0.000 0.454 294 Y N 1.508 121.854 120.300 0.076 0.000 2.081 294 Y HA -0.256 4.294 4.550 -0.000 0.000 0.280 294 Y C 2.507 178.460 175.900 0.089 0.000 1.163 294 Y CA 1.651 59.812 58.100 0.101 0.000 1.135 294 Y CB -0.978 37.520 38.460 0.064 0.000 0.970 294 Y HN 0.335 nan 8.280 nan 0.000 0.498 295 D N -1.736 118.794 120.400 0.217 0.000 2.149 295 D HA -0.197 4.443 4.640 0.001 0.000 0.198 295 D C 2.226 178.589 176.300 0.105 0.000 0.990 295 D CA 1.621 55.701 54.000 0.134 0.000 0.839 295 D CB -0.606 40.254 40.800 0.100 0.000 0.948 295 D HN 0.482 nan 8.370 nan 0.000 0.460 296 H N -0.478 118.576 119.070 -0.027 0.000 2.299 296 H HA -0.155 4.401 4.556 -0.000 0.000 0.302 296 H C 1.630 176.951 175.328 -0.013 0.000 1.078 296 H CA 1.272 57.269 56.048 -0.085 0.000 1.323 296 H CB -0.164 29.456 29.762 -0.237 0.000 1.381 296 H HN 0.147 nan 8.280 nan 0.000 0.498 297 Y N 1.095 121.442 120.300 0.078 0.000 2.403 297 Y HA -0.146 4.405 4.550 0.002 0.000 0.291 297 Y C 2.873 178.775 175.900 0.004 0.000 1.143 297 Y CA 1.166 59.283 58.100 0.028 0.000 1.257 297 Y CB -0.569 37.971 38.460 0.132 0.000 0.984 297 Y HN 0.336 nan 8.280 nan 0.000 0.550 298 Q N 1.324 121.219 119.800 0.158 0.000 2.046 298 Q HA -0.181 4.159 4.340 0.001 0.000 0.200 298 Q C 2.218 178.234 176.000 0.027 0.000 0.975 298 Q CA 2.290 58.143 55.803 0.083 0.000 0.836 298 Q CB -0.156 28.627 28.738 0.076 0.000 0.896 298 Q HN 0.574 nan 8.270 nan 0.000 0.428 299 K N -1.708 118.686 120.400 -0.011 0.000 2.116 299 K HA 0.007 4.327 4.320 0.001 0.000 0.203 299 K C 1.841 178.406 176.600 -0.058 0.000 1.052 299 K CA 1.588 57.854 56.287 -0.036 0.000 0.952 299 K CB -0.349 32.125 32.500 -0.043 0.000 0.729 299 K HN 0.044 nan 8.250 nan 0.000 0.446 300 T N 0.985 115.467 114.554 -0.120 0.000 2.857 300 T HA 0.054 4.405 4.350 0.001 0.000 0.266 300 T C 1.832 176.531 174.700 -0.002 0.000 1.048 300 T CA 1.308 63.345 62.100 -0.106 0.000 1.139 300 T CB -0.046 68.672 68.868 -0.249 0.000 0.874 300 T HN 0.222 nan 8.240 nan 0.000 0.455 301 I N -0.902 119.698 120.570 0.049 0.000 3.650 301 I HA 0.155 4.325 4.170 0.001 0.000 0.261 301 I C 1.951 178.085 176.117 0.028 0.000 1.154 301 I CA -0.159 61.177 61.300 0.059 0.000 1.418 301 I CB -0.141 37.921 38.000 0.103 0.000 1.539 301 I HN 0.029 nan 8.210 nan 0.000 0.449 302 L N 2.081 123.320 121.223 0.026 0.000 1.955 302 L HA -0.193 4.148 4.340 0.001 0.000 0.213 302 L C 2.330 179.182 176.870 -0.029 0.000 1.072 302 L CA 2.258 57.088 54.840 -0.018 0.000 0.755 302 L CB -0.811 41.244 42.059 -0.007 0.000 0.888 302 L HN 0.229 nan 8.230 nan 0.000 0.432 303 K N -0.995 119.395 120.400 -0.016 0.000 2.211 303 K HA -0.090 4.231 4.320 0.001 0.000 0.203 303 K C -0.509 176.076 176.600 -0.025 0.000 1.050 303 K CA 1.205 57.477 56.287 -0.024 0.000 0.945 303 K CB -0.631 31.860 32.500 -0.015 0.000 0.732 303 K HN 0.397 nan 8.250 nan 0.000 0.451 304 P HA 0.000 nan 4.420 nan 0.000 0.226 304 P C 1.201 178.499 177.300 -0.003 0.000 1.161 304 P CA 0.948 64.046 63.100 -0.002 0.000 0.804 304 P CB 0.092 31.800 31.700 0.013 0.000 0.829 305 G N 0.195 108.994 108.800 -0.003 0.000 2.418 305 G HA2 -0.205 3.756 3.960 0.001 0.000 0.217 305 G HA3 -0.205 3.756 3.960 0.001 0.000 0.217 305 G C 1.563 176.377 174.900 -0.143 0.000 1.158 305 G CA 0.675 45.774 45.100 -0.001 0.000 0.771 305 G HN 0.114 nan 8.290 nan 0.000 0.545 306 V N 1.172 121.006 119.914 -0.133 0.000 2.343 306 V HA -0.189 3.931 4.120 0.001 0.000 0.247 306 V C 2.682 178.672 176.094 -0.174 0.000 1.051 306 V CA 2.182 64.375 62.300 -0.178 0.000 1.036 306 V CB -0.333 31.419 31.823 -0.118 0.000 0.654 306 V HN 0.593 nan 8.190 nan 0.000 0.451 307 E N 0.897 121.035 120.200 -0.103 0.000 2.110 307 E HA -0.233 4.117 4.350 0.001 0.000 0.193 307 E C 2.174 178.728 176.600 -0.077 0.000 0.988 307 E CA 1.643 58.001 56.400 -0.070 0.000 0.804 307 E CB -0.139 29.543 29.700 -0.030 0.000 0.745 307 E HN 0.531 nan 8.360 nan 0.000 0.458 308 A N 1.343 124.113 122.820 -0.084 0.000 1.898 308 A HA -0.216 4.104 4.320 0.001 0.000 0.216 308 A C 2.037 179.485 177.584 -0.226 0.000 1.181 308 A CA 1.607 53.629 52.037 -0.025 0.000 0.620 308 A CB -0.954 18.129 19.000 0.138 0.000 0.819 308 A HN 0.484 nan 8.150 nan 0.000 0.442 309 N N -0.488 117.771 118.700 -0.736 0.000 2.043 309 N HA -0.244 4.497 4.740 0.001 0.000 0.193 309 N C 1.825 177.107 175.510 -0.380 0.000 1.037 309 N CA 1.671 54.017 53.050 -1.174 0.000 0.851 309 N CB -0.272 37.565 38.487 -1.083 0.000 1.027 309 N HN 0.664 nan 8.380 nan 0.000 0.422 310 N N -0.028 118.534 118.700 -0.229 0.000 2.149 310 N HA -0.135 4.606 4.740 0.001 0.000 0.188 310 N C 1.382 176.900 175.510 0.014 0.000 1.019 310 N CA 0.967 53.973 53.050 -0.073 0.000 0.857 310 N CB 0.197 38.642 38.487 -0.071 0.000 0.997 310 N HN 0.228 nan 8.380 nan 0.000 0.426 311 K N -0.680 119.742 120.400 0.036 0.000 2.025 311 K HA -0.174 4.146 4.320 0.001 0.000 0.207 311 K C 1.709 178.398 176.600 0.149 0.000 1.049 311 K CA 1.193 57.531 56.287 0.084 0.000 0.933 311 K CB -0.370 32.188 32.500 0.098 0.000 0.714 311 K HN 0.358 nan 8.250 nan 0.000 0.438 312 W N 2.856 124.195 121.300 0.065 0.000 2.331 312 W HA -0.217 4.443 4.660 0.000 0.000 0.291 312 W C 1.327 177.949 176.519 0.172 0.000 1.214 312 W CA 1.911 59.360 57.345 0.173 0.000 1.228 312 W CB -0.229 29.436 29.460 0.343 0.000 1.135 312 W HN 0.135 nan 8.180 nan 0.000 0.537 313 N N -0.054 118.833 118.700 0.310 0.000 2.171 313 N HA -0.211 4.529 4.740 0.001 0.000 0.184 313 N C 1.662 177.226 175.510 0.090 0.000 1.021 313 N CA 1.912 55.102 53.050 0.233 0.000 0.854 313 N CB -0.287 38.321 38.487 0.202 0.000 0.994 313 N HN 0.130 nan 8.380 nan 0.000 0.426 314 K N 0.996 121.434 120.400 0.064 0.000 2.097 314 K HA -0.070 4.250 4.320 0.001 0.000 0.205 314 K C 1.792 178.421 176.600 0.048 0.000 1.050 314 K CA 0.847 57.161 56.287 0.045 0.000 0.938 314 K CB -0.632 31.892 32.500 0.040 0.000 0.718 314 K HN 0.033 nan 8.250 nan 0.000 0.442 315 L N 0.285 121.528 121.223 0.033 0.000 2.012 315 L HA -0.015 4.326 4.340 0.001 0.000 0.210 315 L C 2.145 179.081 176.870 0.110 0.000 1.073 315 L CA 1.609 56.499 54.840 0.083 0.000 0.748 315 L CB -0.801 41.255 42.059 -0.004 0.000 0.891 315 L HN 0.301 nan 8.230 nan 0.000 0.431 316 F N -0.292 119.465 119.950 -0.321 0.000 2.269 316 F HA -0.129 4.399 4.527 0.001 0.000 0.301 316 F C 2.394 178.169 175.800 -0.041 0.000 1.082 316 F CA 1.398 59.208 58.000 -0.316 0.000 1.360 316 F CB -0.571 38.014 39.000 -0.691 0.000 1.041 316 F HN 0.146 nan 8.300 nan 0.000 0.512 317 S N -0.360 115.257 115.700 -0.138 0.000 2.414 317 S HA -0.105 4.366 4.470 0.001 0.000 0.227 317 S C 1.675 176.211 174.600 -0.108 0.000 1.022 317 S CA 1.036 59.127 58.200 -0.182 0.000 0.958 317 S CB -0.137 63.014 63.200 -0.081 0.000 0.797 317 S HN 0.350 nan 8.310 nan 0.000 0.493 318 E N 0.177 120.390 120.200 0.022 0.000 2.216 318 E HA 0.023 4.373 4.350 0.001 0.000 0.192 318 E C 1.487 178.028 176.600 -0.098 0.000 0.988 318 E CA 0.303 56.734 56.400 0.052 0.000 0.834 318 E CB -0.220 29.628 29.700 0.248 0.000 0.772 318 E HN 0.604 nan 8.360 nan 0.000 0.479 319 Y N 1.597 121.751 120.300 -0.244 0.000 2.114 319 Y HA -0.276 4.274 4.550 0.001 0.000 0.284 319 Y C 2.007 177.746 175.900 -0.268 0.000 1.143 319 Y CA 1.927 59.758 58.100 -0.448 0.000 1.135 319 Y CB -0.057 38.325 38.460 -0.132 0.000 0.980 319 Y HN 0.013 nan 8.280 nan 0.000 0.499 320 Q N 0.188 119.847 119.800 -0.234 0.000 2.061 320 Q HA -0.246 4.094 4.340 0.001 0.000 0.204 320 Q C 2.198 178.036 176.000 -0.271 0.000 0.984 320 Q CA 2.118 57.745 55.803 -0.294 0.000 0.846 320 Q CB -0.226 28.273 28.738 -0.398 0.000 0.902 320 Q HN 0.503 nan 8.270 nan 0.000 0.421 321 K N 0.332 120.583 120.400 -0.249 0.000 2.063 321 K HA -0.127 4.194 4.320 0.001 0.000 0.208 321 K C 2.135 178.545 176.600 -0.317 0.000 1.048 321 K CA 0.843 56.996 56.287 -0.223 0.000 0.928 321 K CB 0.030 32.433 32.500 -0.161 0.000 0.713 321 K HN -0.022 nan 8.250 nan 0.000 0.442 322 K N 0.045 120.141 120.400 -0.507 0.000 2.076 322 K HA 0.003 4.324 4.320 0.001 0.000 0.204 322 K C 0.474 176.523 176.600 -0.918 0.000 1.051 322 K CA 0.976 56.771 56.287 -0.820 0.000 0.949 322 K CB 0.219 31.910 32.500 -1.349 0.000 0.726 322 K HN 0.038 nan 8.250 nan 0.000 0.443 323 F N 1.637 121.275 119.950 -0.520 0.000 2.532 323 F HA 0.242 4.769 4.527 0.001 0.000 0.313 323 F C -1.581 174.007 175.800 -0.355 0.000 1.301 323 F CA -2.329 55.372 58.000 -0.498 0.000 1.154 323 F CB 0.984 39.460 39.000 -0.874 0.000 1.335 323 F HN -0.024 nan 8.300 nan 0.000 0.542 324 P HA -0.219 nan 4.420 nan 0.000 0.218 324 P C 1.053 178.331 177.300 -0.036 0.000 1.148 324 P CA 1.732 64.771 63.100 -0.100 0.000 0.822 324 P CB 0.340 31.981 31.700 -0.099 0.000 0.784 325 E N -0.636 119.561 120.200 -0.004 0.000 2.250 325 E HA -0.026 4.324 4.350 0.001 0.000 0.192 325 E C 2.083 178.735 176.600 0.087 0.000 0.986 325 E CA 0.381 56.800 56.400 0.031 0.000 0.849 325 E CB -0.996 28.718 29.700 0.023 0.000 0.797 325 E HN 0.181 nan 8.360 nan 0.000 0.482 326 L N 1.364 122.654 121.223 0.110 0.000 2.131 326 L HA 0.062 4.403 4.340 0.001 0.000 0.206 326 L C 2.507 179.619 176.870 0.403 0.000 1.087 326 L CA 1.718 56.714 54.840 0.261 0.000 0.767 326 L CB -1.574 40.630 42.059 0.242 0.000 0.917 326 L HN 0.264 nan 8.230 nan 0.000 0.441 327 G N -0.144 108.811 108.800 0.259 0.000 2.491 327 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 327 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 327 G C 1.758 176.786 174.900 0.213 0.000 1.180 327 G CA 1.253 46.520 45.100 0.278 0.000 0.774 327 G HN 0.479 nan 8.290 nan 0.000 0.562 328 A N 0.800 123.689 122.820 0.115 0.000 1.859 328 A HA -0.145 4.176 4.320 0.001 0.000 0.217 328 A C 2.197 179.859 177.584 0.130 0.000 1.198 328 A CA 2.292 54.386 52.037 0.095 0.000 0.629 328 A CB -0.788 18.245 19.000 0.054 0.000 0.830 328 A HN 0.528 nan 8.150 nan 0.000 0.446 329 E N -0.713 119.577 120.200 0.150 0.000 2.049 329 E HA -0.257 4.094 4.350 0.001 0.000 0.198 329 E C 1.934 178.616 176.600 0.137 0.000 1.007 329 E CA 1.736 58.229 56.400 0.154 0.000 0.809 329 E CB -0.278 29.546 29.700 0.207 0.000 0.749 329 E HN 0.432 nan 8.360 nan 0.000 0.450 330 L N 0.913 122.214 121.223 0.131 0.000 2.046 330 L HA -0.066 4.275 4.340 0.001 0.000 0.208 330 L C 2.312 179.215 176.870 0.055 0.000 1.077 330 L CA 2.238 57.003 54.840 -0.124 0.000 0.747 330 L CB -0.891 40.921 42.059 -0.413 0.000 0.896 330 L HN 0.222 nan 8.230 nan 0.000 0.432 331 A N -0.359 122.630 122.820 0.281 0.000 1.940 331 A HA -0.267 4.053 4.320 0.001 0.000 0.219 331 A C 2.577 180.249 177.584 0.148 0.000 1.176 331 A CA 1.954 54.178 52.037 0.311 0.000 0.631 331 A CB -0.668 18.503 19.000 0.285 0.000 0.814 331 A HN 0.538 nan 8.150 nan 0.000 0.446 332 R N -0.581 119.978 120.500 0.099 0.000 2.062 332 R HA -0.065 4.276 4.340 0.001 0.000 0.229 332 R C 2.407 178.722 176.300 0.026 0.000 1.128 332 R CA 1.242 57.377 56.100 0.058 0.000 0.960 332 R CB -0.243 30.086 30.300 0.048 0.000 0.855 332 R HN 0.530 nan 8.270 nan 0.000 0.432 333 R N 0.345 120.845 120.500 0.000 0.000 2.091 333 R HA -0.113 4.227 4.340 0.001 0.000 0.238 333 R C 2.406 178.687 176.300 -0.031 0.000 1.136 333 R CA 1.604 57.680 56.100 -0.041 0.000 0.959 333 R CB -0.406 29.839 30.300 -0.092 0.000 0.856 333 R HN 0.258 nan 8.270 nan 0.000 0.437 334 L N 0.595 121.803 121.223 -0.024 0.000 2.083 334 L HA -0.145 4.196 4.340 0.001 0.000 0.209 334 L C 2.459 179.342 176.870 0.022 0.000 1.083 334 L CA 1.445 56.277 54.840 -0.013 0.000 0.752 334 L CB -0.559 41.492 42.059 -0.012 0.000 0.899 334 L HN 0.300 nan 8.230 nan 0.000 0.433 335 S N -0.364 115.361 115.700 0.043 0.000 2.515 335 S HA 0.029 4.500 4.470 0.001 0.000 0.231 335 S C 1.521 176.139 174.600 0.031 0.000 0.987 335 S CA 0.448 58.675 58.200 0.046 0.000 0.936 335 S CB -0.136 63.097 63.200 0.056 0.000 0.766 335 S HN 0.569 nan 8.310 nan 0.000 0.528 336 G N 0.836 109.646 108.800 0.017 0.000 2.182 336 G HA2 -0.171 3.789 3.960 0.001 0.000 0.248 336 G HA3 -0.171 3.789 3.960 0.001 0.000 0.248 336 G C -0.397 174.505 174.900 0.003 0.000 1.042 336 G CA -0.130 44.975 45.100 0.008 0.000 0.775 336 G HN 0.523 nan 8.290 nan 0.000 0.501 337 Q N -0.721 119.081 119.800 0.004 0.000 2.274 337 Q HA 0.688 5.028 4.340 0.001 0.000 0.260 337 Q C 0.177 176.163 176.000 -0.023 0.000 0.974 337 Q CA -1.103 54.704 55.803 0.006 0.000 0.876 337 Q CB 1.894 30.649 28.738 0.028 0.000 1.297 337 Q HN 0.209 nan 8.270 nan 0.000 0.446 338 L N 3.496 124.696 121.223 -0.039 0.000 2.417 338 L HA 0.350 4.690 4.340 0.001 0.000 0.268 338 L C -2.055 174.812 176.870 -0.006 0.000 1.158 338 L CA -1.654 53.116 54.840 -0.117 0.000 0.819 338 L CB -0.131 41.780 42.059 -0.247 0.000 1.112 338 L HN 0.402 nan 8.230 nan 0.000 0.458 339 P HA -0.024 nan 4.420 nan 0.000 0.263 339 P C -0.923 176.473 177.300 0.161 0.000 1.168 339 P CA -0.046 63.100 63.100 0.077 0.000 0.759 339 P CB 0.266 32.010 31.700 0.072 0.000 0.782 340 A N 3.952 126.837 122.820 0.107 0.000 2.553 340 A HA -0.050 4.271 4.320 0.001 0.000 0.258 340 A C 1.137 178.782 177.584 0.102 0.000 1.069 340 A CA 0.671 52.766 52.037 0.097 0.000 0.767 340 A CB -1.491 17.542 19.000 0.056 0.000 0.997 340 A HN 0.883 nan 8.150 nan 0.000 0.512 341 N N 1.762 120.524 118.700 0.103 0.000 2.708 341 N HA -0.206 4.535 4.740 0.001 0.000 0.249 341 N C 0.944 176.435 175.510 -0.032 0.000 1.097 341 N CA 0.759 53.815 53.050 0.010 0.000 0.710 341 N CB -0.710 37.765 38.487 -0.020 0.000 1.032 341 N HN 0.999 nan 8.380 nan 0.000 0.551 342 W N 0.269 121.554 121.300 -0.025 0.000 2.313 342 W HA -0.239 4.421 4.660 0.001 0.000 0.293 342 W C 0.997 177.494 176.519 -0.036 0.000 1.216 342 W CA 1.677 59.002 57.345 -0.035 0.000 1.223 342 W CB -0.858 28.583 29.460 -0.033 0.000 1.138 342 W HN 0.283 nan 8.180 nan 0.000 0.535 343 E N 1.464 120.929 120.200 -1.225 0.000 2.209 343 E HA -0.171 4.180 4.350 0.001 0.000 0.196 343 E C 2.100 178.400 176.600 -0.499 0.000 0.993 343 E CA 1.960 57.692 56.400 -1.113 0.000 0.819 343 E CB -0.895 28.290 29.700 -0.859 0.000 0.745 343 E HN 0.116 nan 8.360 nan 0.000 0.477 344 S N 0.213 115.718 115.700 -0.324 0.000 2.528 344 S HA -0.078 4.392 4.470 0.001 0.000 0.244 344 S C 1.240 175.750 174.600 -0.150 0.000 0.982 344 S CA 0.790 58.875 58.200 -0.192 0.000 0.953 344 S CB -0.035 63.087 63.200 -0.130 0.000 0.754 344 S HN 0.192 nan 8.310 nan 0.000 0.529 345 K N 0.517 120.832 120.400 -0.141 0.000 2.414 345 K HA 0.277 4.597 4.320 0.001 0.000 0.204 345 K C -0.324 176.225 176.600 -0.086 0.000 1.026 345 K CA -0.091 56.145 56.287 -0.086 0.000 1.108 345 K CB 0.316 32.795 32.500 -0.034 0.000 0.855 345 K HN 0.304 nan 8.250 nan 0.000 0.517 346 L N 2.560 123.699 121.223 -0.140 0.000 2.397 346 L HA 0.202 4.543 4.340 0.001 0.000 0.271 346 L C -2.155 174.642 176.870 -0.122 0.000 1.148 346 L CA -1.876 52.894 54.840 -0.117 0.000 0.825 346 L CB 0.273 42.232 42.059 -0.167 0.000 1.117 346 L HN -0.152 nan 8.230 nan 0.000 0.456 347 P HA 0.197 nan 4.420 nan 0.000 0.274 347 P C -1.017 176.139 177.300 -0.240 0.000 1.231 347 P CA -0.295 62.679 63.100 -0.210 0.000 0.790 347 P CB 0.902 32.483 31.700 -0.198 0.000 0.951 348 T N -1.037 113.262 114.554 -0.424 0.000 2.916 348 T HA 0.664 5.015 4.350 0.001 0.000 0.298 348 T C -1.120 173.281 174.700 -0.499 0.000 1.031 348 T CA -0.645 61.279 62.100 -0.294 0.000 0.993 348 T CB 0.663 69.442 68.868 -0.148 0.000 1.045 348 T HN 0.163 nan 8.240 nan 0.000 0.454 349 Y N 0.454 120.754 120.300 -0.001 0.000 2.659 349 Y HA 0.804 5.354 4.550 0.001 0.000 0.333 349 Y C 0.960 176.866 175.900 0.010 0.000 1.064 349 Y CA -0.961 57.142 58.100 0.005 0.000 1.141 349 Y CB 1.907 40.374 38.460 0.012 0.000 1.316 349 Y HN 0.984 nan 8.280 nan 0.000 0.509 350 T N -2.847 111.819 114.554 0.186 0.000 2.907 350 T HA 0.620 4.970 4.350 0.001 0.000 0.290 350 T C 0.770 175.531 174.700 0.101 0.000 1.066 350 T CA -0.438 61.727 62.100 0.108 0.000 1.012 350 T CB 1.517 70.425 68.868 0.066 0.000 1.184 350 T HN 0.751 nan 8.240 nan 0.000 0.522 351 A N 0.063 122.925 122.820 0.071 0.000 2.131 351 A HA -0.042 4.278 4.320 0.001 0.000 0.220 351 A C 2.134 179.746 177.584 0.047 0.000 1.158 351 A CA 1.707 53.776 52.037 0.054 0.000 0.665 351 A CB -0.871 18.155 19.000 0.044 0.000 0.795 351 A HN 0.861 nan 8.150 nan 0.000 0.460 352 K N -0.003 120.429 120.400 0.052 0.000 2.296 352 K HA -0.041 4.280 4.320 0.001 0.000 0.200 352 K C -0.278 176.355 176.600 0.054 0.000 1.048 352 K CA 0.653 56.967 56.287 0.045 0.000 0.966 352 K CB 0.081 32.605 32.500 0.040 0.000 0.754 352 K HN 0.442 nan 8.250 nan 0.000 0.466 353 D N 0.039 120.487 120.400 0.080 0.000 2.348 353 D HA 0.089 4.730 4.640 0.001 0.000 0.249 353 D C -0.166 176.166 176.300 0.054 0.000 1.110 353 D CA -0.095 53.963 54.000 0.096 0.000 0.967 353 D CB 1.490 42.412 40.800 0.203 0.000 1.139 353 D HN -0.045 nan 8.370 nan 0.000 0.466 354 S N -0.157 115.571 115.700 0.046 0.000 2.569 354 S HA 0.309 4.780 4.470 0.001 0.000 0.274 354 S C 0.114 174.700 174.600 -0.024 0.000 1.353 354 S CA -0.608 57.600 58.200 0.013 0.000 1.023 354 S CB 0.626 63.836 63.200 0.016 0.000 0.876 354 S HN 0.524 nan 8.310 nan 0.000 0.540 355 A N 1.805 124.608 122.820 -0.028 0.000 2.320 355 A HA 0.606 4.927 4.320 0.001 0.000 0.287 355 A C -0.378 177.174 177.584 -0.053 0.000 1.181 355 A CA -0.515 51.493 52.037 -0.048 0.000 0.831 355 A CB -0.061 18.918 19.000 -0.036 0.000 1.102 355 A HN 0.624 nan 8.150 nan 0.000 0.513 356 V N 0.814 120.681 119.914 -0.077 0.000 3.049 356 V HA 0.739 4.859 4.120 0.001 0.000 0.309 356 V C 0.461 176.516 176.094 -0.065 0.000 1.148 356 V CA -0.717 61.544 62.300 -0.065 0.000 0.990 356 V CB 1.373 33.149 31.823 -0.079 0.000 1.039 356 V HN 1.294 nan 8.190 nan 0.000 0.430 357 A N 0.988 123.782 122.820 -0.042 0.000 2.425 357 A HA 0.432 4.753 4.320 0.001 0.000 0.249 357 A C 1.351 178.921 177.584 -0.024 0.000 1.084 357 A CA 0.532 52.548 52.037 -0.035 0.000 0.781 357 A CB 0.320 19.303 19.000 -0.029 0.000 1.019 357 A HN 0.984 nan 8.150 nan 0.000 0.490 358 T N 0.745 115.292 114.554 -0.012 0.000 2.822 358 T HA -0.188 4.162 4.350 0.001 0.000 0.270 358 T C 2.049 176.779 174.700 0.050 0.000 1.064 358 T CA 1.943 64.052 62.100 0.016 0.000 1.131 358 T CB -0.316 68.573 68.868 0.036 0.000 0.858 358 T HN 0.713 nan 8.240 nan 0.000 0.483 359 R N 0.798 121.329 120.500 0.052 0.000 2.091 359 R HA -0.069 4.271 4.340 0.001 0.000 0.238 359 R C 2.406 178.751 176.300 0.076 0.000 1.136 359 R CA 1.464 57.616 56.100 0.087 0.000 0.959 359 R CB -0.137 30.212 30.300 0.083 0.000 0.856 359 R HN 0.206 nan 8.270 nan 0.000 0.437 360 K N 0.550 120.976 120.400 0.043 0.000 2.155 360 K HA -0.055 4.266 4.320 0.001 0.000 0.203 360 K C 2.120 178.737 176.600 0.029 0.000 1.052 360 K CA 0.864 57.174 56.287 0.037 0.000 0.948 360 K CB 0.008 32.520 32.500 0.020 0.000 0.728 360 K HN 0.276 nan 8.250 nan 0.000 0.448 361 L N 0.251 121.479 121.223 0.009 0.000 2.201 361 L HA -0.145 4.196 4.340 0.001 0.000 0.212 361 L C 2.528 179.415 176.870 0.028 0.000 1.105 361 L CA 0.784 55.627 54.840 0.004 0.000 0.775 361 L CB -0.360 41.662 42.059 -0.061 0.000 0.913 361 L HN 0.164 nan 8.230 nan 0.000 0.440 362 S N -0.198 115.537 115.700 0.057 0.000 2.368 362 S HA -0.241 4.230 4.470 0.001 0.000 0.224 362 S C 1.949 176.525 174.600 -0.040 0.000 1.029 362 S CA 1.528 59.763 58.200 0.057 0.000 0.988 362 S CB -0.072 63.241 63.200 0.187 0.000 0.838 362 S HN 0.470 nan 8.310 nan 0.000 0.462 363 E N -0.247 119.969 120.200 0.027 0.000 2.085 363 E HA -0.142 4.208 4.350 0.001 0.000 0.194 363 E C 1.755 178.361 176.600 0.009 0.000 0.994 363 E CA 1.671 58.091 56.400 0.034 0.000 0.801 363 E CB -0.284 29.448 29.700 0.055 0.000 0.743 363 E HN 0.558 nan 8.360 nan 0.000 0.453 364 T N 0.347 114.908 114.554 0.012 0.000 2.833 364 T HA -0.105 4.245 4.350 0.001 0.000 0.269 364 T C 1.888 176.572 174.700 -0.028 0.000 1.054 364 T CA 1.133 63.248 62.100 0.024 0.000 1.135 364 T CB -0.061 68.855 68.868 0.079 0.000 0.869 364 T HN 0.034 nan 8.240 nan 0.000 0.466 365 V N 1.647 121.479 119.914 -0.136 0.000 2.270 365 V HA -0.098 4.022 4.120 0.001 0.000 0.245 365 V C 2.479 178.437 176.094 -0.227 0.000 1.043 365 V CA 1.410 63.558 62.300 -0.253 0.000 1.014 365 V CB -0.775 30.666 31.823 -0.636 0.000 0.645 365 V HN 0.435 nan 8.190 nan 0.000 0.447 366 L N -0.386 120.683 121.223 -0.258 0.000 2.079 366 L HA -0.182 4.158 4.340 0.001 0.000 0.210 366 L C 2.713 179.602 176.870 0.031 0.000 1.081 366 L CA 1.492 56.276 54.840 -0.093 0.000 0.752 366 L CB -0.744 41.340 42.059 0.041 0.000 0.896 366 L HN 0.328 nan 8.230 nan 0.000 0.433 367 E N 0.207 120.442 120.200 0.057 0.000 2.110 367 E HA -0.206 4.145 4.350 0.001 0.000 0.193 367 E C 1.681 178.402 176.600 0.201 0.000 0.988 367 E CA 1.317 57.792 56.400 0.125 0.000 0.804 367 E CB -0.095 29.662 29.700 0.095 0.000 0.745 367 E HN 0.535 nan 8.360 nan 0.000 0.458 368 D N -0.328 120.116 120.400 0.074 0.000 2.249 368 D HA -0.085 4.556 4.640 0.001 0.000 0.205 368 D C 1.958 178.259 176.300 0.002 0.000 0.962 368 D CA 0.722 54.743 54.000 0.035 0.000 0.860 368 D CB 0.273 41.072 40.800 -0.001 0.000 0.955 368 D HN 0.177 nan 8.370 nan 0.000 0.505 369 V N -0.336 119.579 119.914 0.002 0.000 3.506 369 V HA -0.031 4.090 4.120 0.001 0.000 0.263 369 V C 2.218 178.232 176.094 -0.132 0.000 1.203 369 V CA 0.249 62.539 62.300 -0.016 0.000 1.133 369 V CB -1.268 30.585 31.823 0.051 0.000 0.802 369 V HN 0.120 nan 8.190 nan 0.000 0.459 370 Y N 4.094 124.148 120.300 -0.409 0.000 2.224 370 Y HA -0.131 4.420 4.550 0.001 0.000 0.289 370 Y C 2.104 177.755 175.900 -0.416 0.000 1.146 370 Y CA 1.710 59.400 58.100 -0.682 0.000 1.182 370 Y CB -1.701 35.807 38.460 -1.586 0.000 0.983 370 Y HN 0.495 nan 8.280 nan 0.000 0.524 371 N N -0.708 117.255 118.700 -1.228 0.000 2.396 371 N HA -0.150 4.591 4.740 0.001 0.000 0.180 371 N C 1.349 176.609 175.510 -0.417 0.000 1.028 371 N CA 1.111 53.581 53.050 -0.967 0.000 0.893 371 N CB -0.318 37.620 38.487 -0.915 0.000 0.967 371 N HN 0.360 nan 8.380 nan 0.000 0.440 372 Q N -0.010 119.619 119.800 -0.286 0.000 2.354 372 Q HA 0.230 4.570 4.340 0.001 0.000 0.203 372 Q C -0.012 175.921 176.000 -0.111 0.000 0.933 372 Q CA 0.549 56.275 55.803 -0.127 0.000 0.901 372 Q CB 0.548 29.277 28.738 -0.014 0.000 1.007 372 Q HN 0.492 nan 8.270 nan 0.000 0.495 373 L N 2.641 123.771 121.223 -0.154 0.000 2.454 373 L HA 0.256 4.597 4.340 0.001 0.000 0.258 373 L C -1.743 175.060 176.870 -0.111 0.000 1.025 373 L CA -1.358 53.401 54.840 -0.135 0.000 0.901 373 L CB 1.982 43.938 42.059 -0.173 0.000 1.210 373 L HN -0.144 nan 8.230 nan 0.000 0.457 374 P HA -0.188 nan 4.420 nan 0.000 0.225 374 P C 0.636 177.920 177.300 -0.027 0.000 1.148 374 P CA 1.099 64.180 63.100 -0.031 0.000 0.779 374 P CB 0.286 31.985 31.700 -0.003 0.000 0.780 375 E N -0.441 119.711 120.200 -0.081 0.000 2.476 375 E HA 0.019 4.370 4.350 0.001 0.000 0.191 375 E C 0.270 176.854 176.600 -0.028 0.000 1.064 375 E CA -0.308 55.997 56.400 -0.158 0.000 0.866 375 E CB -0.403 29.168 29.700 -0.215 0.000 0.952 375 E HN 0.212 nan 8.360 nan 0.000 0.492 376 L N 1.990 123.237 121.223 0.041 0.000 2.270 376 L HA 0.423 4.764 4.340 0.001 0.000 0.286 376 L C -0.765 176.278 176.870 0.289 0.000 1.059 376 L CA -0.678 54.248 54.840 0.143 0.000 0.839 376 L CB 0.837 42.937 42.059 0.068 0.000 1.221 376 L HN 0.107 nan 8.230 nan 0.000 0.431 377 I N 4.617 125.353 120.570 0.277 0.000 2.433 377 I HA 0.870 5.041 4.170 0.001 0.000 0.292 377 I C 0.048 176.184 176.117 0.033 0.000 1.001 377 I CA -0.038 61.393 61.300 0.219 0.000 1.119 377 I CB 1.388 39.450 38.000 0.104 0.000 1.289 377 I HN 0.691 nan 8.210 nan 0.000 0.438 378 G N 3.684 112.373 108.800 -0.184 0.000 2.619 378 G HA2 0.770 4.731 3.960 0.001 0.000 0.305 378 G HA3 0.770 4.731 3.960 0.001 0.000 0.305 378 G C -0.995 173.430 174.900 -0.792 0.000 1.330 378 G CA -0.156 44.471 45.100 -0.788 0.000 0.789 378 G HN 0.992 nan 8.290 nan 0.000 0.487 379 G N -1.503 106.828 108.800 -0.782 0.000 2.474 379 G HA2 0.670 4.630 3.960 0.001 0.000 0.234 379 G HA3 0.670 4.630 3.960 0.001 0.000 0.234 379 G C -1.157 173.596 174.900 -0.244 0.000 1.204 379 G CA 0.933 45.593 45.100 -0.735 0.000 0.939 379 G HN 1.733 nan 8.290 nan 0.000 0.491 380 S N -1.571 114.055 115.700 -0.123 0.000 2.579 380 S HA 0.684 5.154 4.470 0.001 0.000 0.272 380 S C -0.898 173.709 174.600 0.012 0.000 1.141 380 S CA 0.482 58.680 58.200 -0.004 0.000 0.843 380 S CB 1.488 64.755 63.200 0.111 0.000 1.122 380 S HN 1.964 nan 8.310 nan 0.000 0.468 381 A N 2.762 125.546 122.820 -0.059 0.000 2.969 381 A HA 0.574 4.895 4.320 0.001 0.000 0.328 381 A C 0.159 177.690 177.584 -0.087 0.000 1.355 381 A CA 0.034 52.037 52.037 -0.057 0.000 1.018 381 A CB -1.096 17.843 19.000 -0.103 0.000 1.159 381 A HN 1.192 nan 8.150 nan 0.000 0.505 382 D N 0.268 120.636 120.400 -0.053 0.000 2.699 382 D HA -0.161 4.479 4.640 0.001 0.000 0.239 382 D C -0.173 176.073 176.300 -0.090 0.000 1.136 382 D CA 1.326 55.286 54.000 -0.067 0.000 0.668 382 D CB -1.354 39.391 40.800 -0.091 0.000 1.060 382 D HN 0.506 nan 8.370 nan 0.000 0.429 383 L N -0.334 120.859 121.223 -0.051 0.000 3.443 383 L HA 0.189 4.530 4.340 0.001 0.000 0.339 383 L C 1.825 178.730 176.870 0.059 0.000 1.326 383 L CA -0.119 54.696 54.840 -0.042 0.000 0.920 383 L CB 0.361 42.320 42.059 -0.167 0.000 1.364 383 L HN -0.024 nan 8.230 nan 0.000 0.612 384 T N 0.974 115.581 114.554 0.088 0.000 2.680 384 T HA -0.138 4.212 4.350 0.001 0.000 0.268 384 T C -0.450 174.294 174.700 0.073 0.000 1.033 384 T CA 2.054 64.222 62.100 0.114 0.000 1.152 384 T CB -0.759 68.173 68.868 0.108 0.000 0.859 384 T HN 0.341 nan 8.240 nan 0.000 0.452 385 P HA -0.001 nan 4.420 nan 0.000 0.215 385 P C 1.616 178.991 177.300 0.124 0.000 1.157 385 P CA 1.224 64.367 63.100 0.070 0.000 0.859 385 P CB -0.136 31.598 31.700 0.057 0.000 0.786 386 S N 0.526 116.326 115.700 0.166 0.000 2.368 386 S HA -0.062 4.408 4.470 0.001 0.000 0.224 386 S C 1.662 176.468 174.600 0.344 0.000 1.029 386 S CA 1.158 59.528 58.200 0.282 0.000 0.988 386 S CB -0.892 62.505 63.200 0.327 0.000 0.838 386 S HN 0.198 nan 8.310 nan 0.000 0.462 387 N N 1.261 120.124 118.700 0.271 0.000 2.412 387 N HA 0.237 4.977 4.740 0.001 0.000 0.184 387 N C -0.070 175.577 175.510 0.228 0.000 1.101 387 N CA 0.041 53.264 53.050 0.287 0.000 0.881 387 N CB -0.434 38.208 38.487 0.258 0.000 0.969 387 N HN 0.303 nan 8.380 nan 0.000 0.459 388 L N 1.108 122.437 121.223 0.177 0.000 3.790 388 L HA -0.216 4.124 4.340 0.001 0.000 0.602 388 L C 0.502 177.464 176.870 0.152 0.000 1.172 388 L CA 0.294 55.212 54.840 0.130 0.000 0.901 388 L CB -1.847 40.280 42.059 0.114 0.000 1.342 388 L HN 0.133 nan 8.230 nan 0.000 0.820 389 T N -0.185 114.465 114.554 0.161 0.000 3.170 389 T HA 0.205 4.556 4.350 0.001 0.000 0.288 389 T C 0.448 175.294 174.700 0.243 0.000 0.992 389 T CA -0.100 62.165 62.100 0.274 0.000 0.909 389 T CB 0.145 69.217 68.868 0.341 0.000 1.133 389 T HN 0.520 nan 8.240 nan 0.000 0.530 390 R N 0.293 120.765 120.500 -0.047 0.000 2.892 390 R HA 0.613 4.954 4.340 0.001 0.000 0.265 390 R C -1.482 174.728 176.300 -0.149 0.000 1.025 390 R CA -1.146 54.703 56.100 -0.418 0.000 0.982 390 R CB 1.284 30.996 30.300 -0.980 0.000 1.185 390 R HN 0.357 nan 8.270 nan 0.000 0.484 391 W N 2.479 123.616 121.300 -0.273 0.000 2.496 391 W HA 0.470 5.131 4.660 0.001 0.000 0.327 391 W C 0.654 176.966 176.519 -0.346 0.000 1.086 391 W CA -1.026 56.105 57.345 -0.358 0.000 1.222 391 W CB 0.802 29.839 29.460 -0.705 0.000 1.304 391 W HN 0.589 nan 8.180 nan 0.000 0.547 392 K N 0.419 120.785 120.400 -0.056 0.000 2.160 392 K HA -0.251 4.070 4.320 0.001 0.000 0.206 392 K C 1.323 177.895 176.600 -0.046 0.000 1.047 392 K CA 1.780 58.027 56.287 -0.065 0.000 0.930 392 K CB 0.106 32.601 32.500 -0.008 0.000 0.720 392 K HN 0.687 nan 8.250 nan 0.000 0.450 393 E N 0.270 120.489 120.200 0.031 0.000 2.419 393 E HA 0.077 4.427 4.350 0.001 0.000 0.190 393 E C -0.577 176.118 176.600 0.159 0.000 1.040 393 E CA -0.274 56.200 56.400 0.125 0.000 0.900 393 E CB 0.370 30.225 29.700 0.258 0.000 1.054 393 E HN 0.287 nan 8.360 nan 0.000 0.462 394 A N 0.756 123.543 122.820 -0.055 0.000 2.327 394 A HA 0.404 4.725 4.320 0.001 0.000 0.255 394 A C -0.409 177.128 177.584 -0.078 0.000 1.099 394 A CA -0.324 51.597 52.037 -0.193 0.000 0.801 394 A CB 0.514 18.993 19.000 -0.868 0.000 1.062 394 A HN 0.256 nan 8.150 nan 0.000 0.496 395 L N 0.382 121.587 121.223 -0.030 0.000 2.470 395 L HA 0.398 4.739 4.340 0.001 0.000 0.268 395 L C -1.257 175.623 176.870 0.016 0.000 0.964 395 L CA -0.405 54.437 54.840 0.003 0.000 0.839 395 L CB 1.947 44.038 42.059 0.055 0.000 1.276 395 L HN 0.730 nan 8.230 nan 0.000 0.403 396 D N 3.320 123.721 120.400 0.002 0.000 2.414 396 D HA 0.056 4.696 4.640 0.001 0.000 0.242 396 D C -0.518 175.804 176.300 0.038 0.000 1.129 396 D CA 0.245 54.267 54.000 0.038 0.000 0.885 396 D CB 0.973 41.783 40.800 0.018 0.000 1.198 396 D HN 0.449 nan 8.370 nan 0.000 0.437 397 F N 2.791 122.686 119.950 -0.092 0.000 2.494 397 F HA 0.050 4.577 4.527 0.001 0.000 0.369 397 F C 0.015 175.738 175.800 -0.128 0.000 1.098 397 F CA 0.525 58.469 58.000 -0.092 0.000 1.154 397 F CB 0.128 39.053 39.000 -0.124 0.000 1.103 397 F HN 0.071 nan 8.300 nan 0.000 0.549 398 Q N 6.269 125.713 119.800 -0.593 0.000 2.575 398 Q HA 0.349 4.689 4.340 0.001 0.000 0.290 398 Q C -2.812 172.667 176.000 -0.869 0.000 0.963 398 Q CA -2.051 53.428 55.803 -0.539 0.000 0.783 398 Q CB 2.065 30.627 28.738 -0.292 0.000 1.467 398 Q HN 0.300 nan 8.270 nan 0.000 0.402 399 P HA 0.144 nan 4.420 nan 0.000 0.275 399 P C -1.897 175.024 177.300 -0.631 0.000 1.227 399 P CA -0.992 61.534 63.100 -0.956 0.000 0.781 399 P CB 0.409 31.760 31.700 -0.582 0.000 0.906 400 P HA -0.218 nan 4.420 nan 0.000 0.216 400 P C 1.310 178.478 177.300 -0.220 0.000 1.150 400 P CA 1.772 64.680 63.100 -0.321 0.000 0.843 400 P CB -0.330 31.227 31.700 -0.239 0.000 0.787 401 S N -0.557 115.022 115.700 -0.201 0.000 2.442 401 S HA -0.163 4.307 4.470 0.001 0.000 0.236 401 S C 2.027 176.550 174.600 -0.128 0.000 1.007 401 S CA 1.398 59.515 58.200 -0.137 0.000 0.965 401 S CB -1.636 61.494 63.200 -0.117 0.000 0.773 401 S HN 0.296 nan 8.310 nan 0.000 0.504 402 S N 1.753 117.355 115.700 -0.164 0.000 2.399 402 S HA 0.158 4.629 4.470 0.001 0.000 0.231 402 S C 1.910 176.453 174.600 -0.096 0.000 1.022 402 S CA 0.921 59.047 58.200 -0.122 0.000 0.983 402 S CB -1.448 61.666 63.200 -0.143 0.000 0.803 402 S HN 1.558 nan 8.310 nan 0.000 0.480 403 G N 0.805 109.539 108.800 -0.110 0.000 2.160 403 G HA2 -0.253 3.708 3.960 0.001 0.000 0.251 403 G HA3 -0.253 3.708 3.960 0.001 0.000 0.251 403 G C 0.357 175.214 174.900 -0.073 0.000 1.008 403 G CA 0.618 45.668 45.100 -0.083 0.000 0.724 403 G HN 1.718 nan 8.290 nan 0.000 0.514 404 S N -1.667 113.981 115.700 -0.086 0.000 2.941 404 S HA 0.683 5.153 4.470 0.001 0.000 0.248 404 S C 0.576 175.125 174.600 -0.085 0.000 0.962 404 S CA 0.545 58.703 58.200 -0.070 0.000 1.092 404 S CB 1.031 64.201 63.200 -0.050 0.000 1.113 404 S HN 2.299 nan 8.310 nan 0.000 0.512 405 G N 1.407 110.139 108.800 -0.114 0.000 2.368 405 G HA2 0.371 4.332 3.960 0.001 0.000 0.302 405 G HA3 0.371 4.332 3.960 0.001 0.000 0.302 405 G C -1.953 172.820 174.900 -0.211 0.000 1.329 405 G CA -0.323 44.696 45.100 -0.134 0.000 0.935 405 G HN 0.910 nan 8.290 nan 0.000 0.590 406 N N -2.739 115.816 118.700 -0.241 0.000 2.853 406 N HA 0.497 5.237 4.740 0.001 0.000 0.258 406 N C 0.126 175.396 175.510 -0.400 0.000 1.444 406 N CA -1.011 51.837 53.050 -0.337 0.000 0.837 406 N CB 0.376 38.752 38.487 -0.185 0.000 1.489 406 N HN 0.362 nan 8.380 nan 0.000 0.529 407 Y N -0.370 119.720 120.300 -0.351 0.000 2.483 407 Y HA -0.040 4.511 4.550 0.001 0.000 0.291 407 Y C 2.244 178.113 175.900 -0.052 0.000 1.143 407 Y CA 1.363 59.191 58.100 -0.454 0.000 1.289 407 Y CB -0.450 37.823 38.460 -0.312 0.000 0.983 407 Y HN 0.738 nan 8.280 nan 0.000 0.556 408 S N -0.972 114.803 115.700 0.125 0.000 2.562 408 S HA 0.136 4.607 4.470 0.001 0.000 0.221 408 S C 1.384 176.103 174.600 0.198 0.000 0.975 408 S CA 0.075 58.367 58.200 0.153 0.000 0.918 408 S CB -0.690 62.550 63.200 0.065 0.000 0.772 408 S HN 0.257 nan 8.310 nan 0.000 0.531 409 G N 0.746 109.657 108.800 0.185 0.000 2.559 409 G HA2 0.296 4.256 3.960 0.001 0.000 0.235 409 G HA3 0.296 4.256 3.960 0.001 0.000 0.235 409 G C 0.355 175.439 174.900 0.307 0.000 1.266 409 G CA -0.742 44.481 45.100 0.206 0.000 0.847 409 G HN 0.459 nan 8.290 nan 0.000 0.583 410 R N 0.056 120.723 120.500 0.279 0.000 2.508 410 R HA 0.081 4.422 4.340 0.001 0.000 0.300 410 R C -0.731 175.638 176.300 0.116 0.000 0.970 410 R CA -0.332 55.940 56.100 0.286 0.000 1.102 410 R CB 0.525 31.145 30.300 0.532 0.000 1.246 410 R HN 0.545 nan 8.270 nan 0.000 0.539 411 Y N 1.500 121.701 120.300 -0.165 0.000 2.385 411 Y HA 0.369 4.919 4.550 0.001 0.000 0.341 411 Y C -0.258 175.528 175.900 -0.190 0.000 0.965 411 Y CA -1.250 56.647 58.100 -0.338 0.000 1.180 411 Y CB 0.338 38.516 38.460 -0.470 0.000 1.139 411 Y HN -0.098 nan 8.280 nan 0.000 0.502 412 I N 6.654 126.795 120.570 -0.715 0.000 2.472 412 I HA 0.362 4.532 4.170 0.001 0.000 0.290 412 I C -0.042 175.612 176.117 -0.773 0.000 1.016 412 I CA -0.719 60.202 61.300 -0.632 0.000 1.348 412 I CB 0.684 38.204 38.000 -0.799 0.000 1.417 412 I HN 0.350 nan 8.210 nan 0.000 0.521 413 R N 5.955 126.174 120.500 -0.467 0.000 2.272 413 R HA 0.212 4.552 4.340 0.001 0.000 0.323 413 R C -0.460 175.696 176.300 -0.239 0.000 1.002 413 R CA -0.449 55.483 56.100 -0.281 0.000 0.900 413 R CB 0.535 30.762 30.300 -0.122 0.000 1.151 413 R HN 0.611 nan 8.270 nan 0.000 0.507 414 Y N 0.755 120.935 120.300 -0.200 0.000 2.544 414 Y HA 0.087 4.638 4.550 0.001 0.000 0.286 414 Y C 1.753 177.582 175.900 -0.118 0.000 1.141 414 Y CA 0.902 58.912 58.100 -0.151 0.000 1.299 414 Y CB 0.230 38.592 38.460 -0.164 0.000 1.030 414 Y HN 0.903 nan 8.280 nan 0.000 0.543 415 G N 0.811 109.624 108.800 0.021 0.000 2.796 415 G HA2 -0.297 3.664 3.960 0.001 0.000 0.226 415 G HA3 -0.297 3.664 3.960 0.001 0.000 0.226 415 G C -0.504 174.385 174.900 -0.019 0.000 1.381 415 G CA -0.494 44.592 45.100 -0.024 0.000 0.867 415 G HN 0.135 nan 8.290 nan 0.000 0.552 416 I N 1.351 121.893 120.570 -0.046 0.000 2.382 416 I HA 0.282 4.453 4.170 0.001 0.000 0.297 416 I C 1.293 177.394 176.117 -0.026 0.000 1.172 416 I CA 0.755 62.015 61.300 -0.068 0.000 1.825 416 I CB -0.216 37.727 38.000 -0.094 0.000 1.509 416 I HN 0.350 nan 8.210 nan 0.000 0.842 417 R N 3.074 123.576 120.500 0.003 0.000 2.629 417 R HA 0.216 4.556 4.340 0.001 0.000 0.277 417 R C 0.638 176.970 176.300 0.053 0.000 1.637 417 R CA -0.261 55.862 56.100 0.039 0.000 1.663 417 R CB 0.690 31.018 30.300 0.046 0.000 1.228 417 R HN 0.289 nan 8.270 nan 0.000 0.632 418 E N 0.043 120.305 120.200 0.102 0.000 2.058 418 E HA -0.225 4.125 4.350 0.001 0.000 0.194 418 E C 1.427 178.186 176.600 0.265 0.000 0.997 418 E CA 1.493 58.001 56.400 0.180 0.000 0.801 418 E CB -0.019 29.831 29.700 0.249 0.000 0.746 418 E HN 0.527 nan 8.360 nan 0.000 0.450 419 H N -0.883 118.275 119.070 0.147 0.000 2.389 419 H HA 0.023 4.580 4.556 0.001 0.000 0.299 419 H C 1.941 177.319 175.328 0.083 0.000 1.081 419 H CA 0.745 56.870 56.048 0.127 0.000 1.345 419 H CB 0.160 29.971 29.762 0.082 0.000 1.393 419 H HN 0.231 nan 8.280 nan 0.000 0.520 420 A N 0.895 123.795 122.820 0.132 0.000 1.898 420 A HA -0.189 4.131 4.320 0.001 0.000 0.216 420 A C 2.430 180.028 177.584 0.024 0.000 1.181 420 A CA 1.431 53.493 52.037 0.042 0.000 0.620 420 A CB -0.747 18.272 19.000 0.032 0.000 0.819 420 A HN 0.586 nan 8.150 nan 0.000 0.442 421 M N -0.003 119.551 119.600 -0.077 0.000 2.082 421 M HA -0.137 4.343 4.480 0.001 0.000 0.258 421 M C 2.057 178.176 176.300 -0.301 0.000 1.069 421 M CA 2.190 57.198 55.300 -0.487 0.000 1.102 421 M CB -0.571 31.532 32.600 -0.828 0.000 1.336 421 M HN 0.381 nan 8.290 nan 0.000 0.404 422 G N -0.513 108.303 108.800 0.027 0.000 2.514 422 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 422 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 422 G C 1.452 176.435 174.900 0.139 0.000 1.198 422 G CA 1.135 46.404 45.100 0.283 0.000 0.780 422 G HN 0.668 nan 8.290 nan 0.000 0.565 423 A N -0.051 122.845 122.820 0.127 0.000 2.066 423 A HA 0.262 4.583 4.320 0.001 0.000 0.218 423 A C 2.364 179.935 177.584 -0.022 0.000 1.157 423 A CA 0.796 52.865 52.037 0.054 0.000 0.670 423 A CB -0.211 18.809 19.000 0.034 0.000 0.804 423 A HN 0.399 nan 8.150 nan 0.000 0.453 424 I N -0.781 119.773 120.570 -0.026 0.000 2.286 424 I HA -0.265 3.905 4.170 0.001 0.000 0.245 424 I C 2.676 178.732 176.117 -0.101 0.000 1.104 424 I CA 1.089 62.363 61.300 -0.044 0.000 1.397 424 I CB -0.264 37.770 38.000 0.057 0.000 1.072 424 I HN 0.329 nan 8.210 nan 0.000 0.417 425 M N 0.324 119.857 119.600 -0.112 0.000 2.073 425 M HA -0.262 4.219 4.480 0.001 0.000 0.258 425 M C 2.056 178.251 176.300 -0.174 0.000 1.070 425 M CA 1.859 57.065 55.300 -0.157 0.000 1.103 425 M CB -0.833 31.637 32.600 -0.216 0.000 1.321 425 M HN 0.296 nan 8.290 nan 0.000 0.405 426 N N 0.500 119.097 118.700 -0.170 0.000 2.137 426 N HA -0.122 4.618 4.740 0.001 0.000 0.190 426 N C 1.719 176.954 175.510 -0.457 0.000 1.017 426 N CA 1.720 54.553 53.050 -0.362 0.000 0.859 426 N CB -0.842 37.504 38.487 -0.234 0.000 1.002 426 N HN 0.486 nan 8.380 nan 0.000 0.428 427 G N 1.414 110.054 108.800 -0.267 0.000 2.421 427 G HA2 -0.161 3.799 3.960 0.001 0.000 0.216 427 G HA3 -0.161 3.799 3.960 0.001 0.000 0.216 427 G C 1.645 176.425 174.900 -0.200 0.000 1.171 427 G CA 0.483 45.457 45.100 -0.211 0.000 0.775 427 G HN 0.289 nan 8.290 nan 0.000 0.543 428 I N 0.993 121.413 120.570 -0.250 0.000 2.248 428 I HA -0.217 3.953 4.170 0.001 0.000 0.248 428 I C 2.996 179.013 176.117 -0.167 0.000 1.107 428 I CA 1.460 62.557 61.300 -0.339 0.000 1.373 428 I CB -0.260 37.520 38.000 -0.366 0.000 1.055 428 I HN 0.311 nan 8.210 nan 0.000 0.418 429 S N 0.775 116.393 115.700 -0.138 0.000 2.357 429 S HA -0.071 4.400 4.470 0.001 0.000 0.221 429 S C 2.118 176.700 174.600 -0.031 0.000 1.031 429 S CA 1.158 59.322 58.200 -0.059 0.000 0.982 429 S CB -0.179 62.933 63.200 -0.146 0.000 0.853 429 S HN 0.447 nan 8.310 nan 0.000 0.458 430 A N 0.040 122.748 122.820 -0.187 0.000 2.209 430 A HA 0.170 4.491 4.320 0.001 0.000 0.212 430 A C 1.702 179.355 177.584 0.114 0.000 1.158 430 A CA 0.606 52.604 52.037 -0.066 0.000 0.742 430 A CB -0.855 18.002 19.000 -0.239 0.000 0.790 430 A HN 0.685 nan 8.150 nan 0.000 0.472 431 F N 0.344 120.262 119.950 -0.053 0.000 2.060 431 F HA 0.292 4.820 4.527 0.001 0.000 0.295 431 F C 1.397 177.215 175.800 0.031 0.000 1.120 431 F CA 1.803 59.775 58.000 -0.047 0.000 1.205 431 F CB -0.182 38.729 39.000 -0.149 0.000 0.986 431 F HN 0.489 nan 8.300 nan 0.000 0.470 432 G N -1.417 107.510 108.800 0.211 0.000 2.236 432 G HA2 0.344 4.305 3.960 0.001 0.000 0.231 432 G HA3 0.344 4.305 3.960 0.001 0.000 0.231 432 G C 0.271 175.338 174.900 0.279 0.000 1.334 432 G CA 0.013 45.178 45.100 0.108 0.000 1.137 432 G HN 1.235 nan 8.290 nan 0.000 0.482 433 A N -0.959 121.916 122.820 0.092 0.000 2.704 433 A HA -0.046 4.275 4.320 0.001 0.000 0.299 433 A C 1.203 178.746 177.584 -0.070 0.000 1.507 433 A CA 2.090 54.144 52.037 0.028 0.000 0.776 433 A CB -1.941 17.125 19.000 0.110 0.000 1.027 433 A HN 2.841 nan 8.150 nan 0.000 0.475 434 N N -3.030 115.669 118.700 -0.002 0.000 2.710 434 N HA -0.227 4.514 4.740 0.001 0.000 0.249 434 N C -0.340 175.137 175.510 -0.056 0.000 1.059 434 N CA 1.493 54.526 53.050 -0.029 0.000 0.720 434 N CB -1.586 36.858 38.487 -0.072 0.000 0.983 434 N HN 0.766 nan 8.380 nan 0.000 0.544 435 Y N 0.405 120.735 120.300 0.050 0.000 2.526 435 Y HA 0.126 4.676 4.550 0.001 0.000 0.330 435 Y C 0.808 176.709 175.900 0.001 0.000 1.156 435 Y CA 0.283 58.398 58.100 0.026 0.000 1.419 435 Y CB 0.730 39.204 38.460 0.022 0.000 1.250 435 Y HN -0.073 nan 8.280 nan 0.000 0.540 436 K N 6.381 126.866 120.400 0.141 0.000 2.484 436 K HA 0.301 4.621 4.320 0.001 0.000 0.226 436 K C -2.904 173.784 176.600 0.146 0.000 1.031 436 K CA -1.980 54.362 56.287 0.091 0.000 1.026 436 K CB 0.784 33.293 32.500 0.014 0.000 1.412 436 K HN 0.362 nan 8.250 nan 0.000 0.492 437 P HA 0.247 nan 4.420 nan 0.000 0.282 437 P C -0.993 176.366 177.300 0.098 0.000 1.249 437 P CA -0.317 62.822 63.100 0.064 0.000 0.806 437 P CB 0.657 32.333 31.700 -0.040 0.000 0.984 438 Y N -0.843 119.417 120.300 -0.066 0.000 2.625 438 Y HA 0.849 5.400 4.550 0.001 0.000 0.338 438 Y C -1.012 174.763 175.900 -0.209 0.000 1.123 438 Y CA -1.272 56.743 58.100 -0.142 0.000 1.046 438 Y CB 1.120 39.576 38.460 -0.007 0.000 1.299 438 Y HN 0.659 nan 8.280 nan 0.000 0.464 439 G N -0.276 108.379 108.800 -0.242 0.000 2.746 439 G HA2 0.547 4.507 3.960 0.001 0.000 0.297 439 G HA3 0.547 4.507 3.960 0.001 0.000 0.297 439 G C -1.462 173.325 174.900 -0.189 0.000 1.426 439 G CA -0.488 44.360 45.100 -0.420 0.000 0.989 439 G HN 1.121 nan 8.290 nan 0.000 0.520 440 G N -0.809 107.973 108.800 -0.031 0.000 2.420 440 G HA2 0.771 4.732 3.960 0.001 0.000 0.331 440 G HA3 0.771 4.732 3.960 0.001 0.000 0.331 440 G C -0.599 174.352 174.900 0.085 0.000 1.168 440 G CA -0.015 45.160 45.100 0.125 0.000 0.936 440 G HN 0.926 nan 8.290 nan 0.000 0.479 441 T N -0.706 113.958 114.554 0.184 0.000 2.653 441 T HA 0.554 4.904 4.350 0.001 0.000 0.306 441 T C -1.604 173.272 174.700 0.294 0.000 1.426 441 T CA -0.541 61.647 62.100 0.146 0.000 1.008 441 T CB 0.660 69.676 68.868 0.247 0.000 1.692 441 T HN 0.182 nan 8.240 nan 0.000 0.483 442 F N 2.397 122.451 119.950 0.173 0.000 2.394 442 F HA 0.462 4.990 4.527 0.001 0.000 0.340 442 F C 1.204 177.030 175.800 0.043 0.000 1.105 442 F CA -1.593 56.465 58.000 0.096 0.000 1.124 442 F CB 0.973 40.004 39.000 0.051 0.000 1.145 442 F HN 0.455 nan 8.300 nan 0.000 0.505 443 L N 2.888 124.240 121.223 0.216 0.000 2.081 443 L HA -0.251 4.089 4.340 0.001 0.000 0.212 443 L C 1.946 178.803 176.870 -0.022 0.000 1.080 443 L CA 1.823 56.722 54.840 0.098 0.000 0.754 443 L CB -0.970 41.133 42.059 0.074 0.000 0.893 443 L HN 0.697 nan 8.230 nan 0.000 0.433 444 N N -1.063 117.509 118.700 -0.213 0.000 2.223 444 N HA -0.187 4.554 4.740 0.001 0.000 0.185 444 N C 1.289 176.558 175.510 -0.402 0.000 1.016 444 N CA 1.378 54.182 53.050 -0.409 0.000 0.863 444 N CB -0.174 37.879 38.487 -0.724 0.000 0.983 444 N HN 0.400 nan 8.380 nan 0.000 0.429 445 F N -0.834 119.118 119.950 0.003 0.000 2.765 445 F HA 0.250 4.778 4.527 0.001 0.000 0.302 445 F C 1.843 177.630 175.800 -0.022 0.000 1.111 445 F CA -0.215 57.702 58.000 -0.138 0.000 1.359 445 F CB -0.409 38.402 39.000 -0.314 0.000 1.097 445 F HN -0.141 nan 8.300 nan 0.000 0.577 446 V N -0.824 119.147 119.914 0.094 0.000 2.568 446 V HA -0.262 3.858 4.120 0.001 0.000 0.253 446 V C 2.152 178.259 176.094 0.022 0.000 1.072 446 V CA 2.055 64.285 62.300 -0.116 0.000 1.084 446 V CB -0.853 30.811 31.823 -0.265 0.000 0.676 446 V HN 0.307 nan 8.190 nan 0.000 0.469 447 S N -1.395 114.409 115.700 0.173 0.000 2.474 447 S HA -0.123 4.347 4.470 0.001 0.000 0.235 447 S C 1.736 176.471 174.600 0.225 0.000 0.997 447 S CA 0.839 59.162 58.200 0.205 0.000 0.949 447 S CB -0.343 62.946 63.200 0.149 0.000 0.766 447 S HN 0.613 nan 8.310 nan 0.000 0.517 448 Y N 1.356 121.685 120.300 0.050 0.000 2.352 448 Y HA 0.109 4.659 4.550 0.001 0.000 0.292 448 Y C 2.334 178.172 175.900 -0.102 0.000 1.136 448 Y CA 0.018 58.130 58.100 0.020 0.000 1.227 448 Y CB -0.594 37.915 38.460 0.081 0.000 0.991 448 Y HN 0.288 nan 8.280 nan 0.000 0.545 449 A N -0.843 121.986 122.820 0.015 0.000 2.238 449 A HA 0.332 4.653 4.320 0.001 0.000 0.210 449 A C 2.340 179.737 177.584 -0.312 0.000 1.179 449 A CA 0.691 52.620 52.037 -0.179 0.000 0.827 449 A CB -0.816 18.159 19.000 -0.041 0.000 0.856 449 A HN 0.280 nan 8.150 nan 0.000 0.488 450 A N 0.083 122.822 122.820 -0.136 0.000 2.038 450 A HA -0.174 4.147 4.320 0.001 0.000 0.224 450 A C 2.285 179.842 177.584 -0.046 0.000 1.190 450 A CA 2.322 54.370 52.037 0.018 0.000 0.668 450 A CB -1.304 17.743 19.000 0.078 0.000 0.820 450 A HN 0.816 nan 8.150 nan 0.000 0.474 451 G N -1.435 107.227 108.800 -0.230 0.000 2.408 451 G HA2 0.087 4.047 3.960 0.001 0.000 0.217 451 G HA3 0.087 4.047 3.960 0.001 0.000 0.217 451 G C 1.664 176.670 174.900 0.176 0.000 1.150 451 G CA 1.270 46.389 45.100 0.033 0.000 0.776 451 G HN 0.917 nan 8.290 nan 0.000 0.542 452 A N -0.014 122.933 122.820 0.212 0.000 1.935 452 A HA 0.271 4.592 4.320 0.001 0.000 0.214 452 A C 2.535 180.209 177.584 0.150 0.000 1.178 452 A CA 1.322 53.511 52.037 0.253 0.000 0.640 452 A CB -0.354 18.870 19.000 0.373 0.000 0.825 452 A HN 0.193 nan 8.150 nan 0.000 0.447 453 V N 0.383 120.335 119.914 0.063 0.000 2.343 453 V HA -0.258 3.863 4.120 0.001 0.000 0.247 453 V C 2.626 178.734 176.094 0.022 0.000 1.051 453 V CA 2.280 64.566 62.300 -0.023 0.000 1.036 453 V CB -0.831 30.824 31.823 -0.280 0.000 0.654 453 V HN 0.701 nan 8.190 nan 0.000 0.451 454 R N -0.128 120.414 120.500 0.070 0.000 2.127 454 R HA -0.132 4.208 4.340 0.001 0.000 0.238 454 R C 2.180 178.516 176.300 0.060 0.000 1.134 454 R CA 1.548 57.693 56.100 0.075 0.000 0.975 454 R CB -0.234 30.119 30.300 0.088 0.000 0.865 454 R HN 0.449 nan 8.270 nan 0.000 0.447 455 L N 0.221 121.491 121.223 0.077 0.000 2.179 455 L HA -0.065 4.276 4.340 0.001 0.000 0.208 455 L C 2.198 179.097 176.870 0.049 0.000 1.096 455 L CA 1.099 55.980 54.840 0.068 0.000 0.779 455 L CB -0.223 41.895 42.059 0.099 0.000 0.922 455 L HN 0.290 nan 8.230 nan 0.000 0.443 456 S N 0.522 116.278 115.700 0.095 0.000 2.382 456 S HA -0.170 4.301 4.470 0.001 0.000 0.228 456 S C 2.157 176.758 174.600 0.002 0.000 1.027 456 S CA 1.171 59.431 58.200 0.100 0.000 0.991 456 S CB -0.269 63.011 63.200 0.134 0.000 0.823 456 S HN 0.497 nan 8.310 nan 0.000 0.469 457 A N 1.501 124.320 122.820 -0.002 0.000 1.872 457 A HA 0.181 4.501 4.320 0.001 0.000 0.214 457 A C 2.119 179.696 177.584 -0.011 0.000 1.187 457 A CA 0.820 52.847 52.037 -0.016 0.000 0.614 457 A CB -0.706 18.289 19.000 -0.008 0.000 0.826 457 A HN 0.432 nan 8.150 nan 0.000 0.442 458 L N -0.089 121.133 121.223 -0.003 0.000 2.056 458 L HA -0.147 4.194 4.340 0.001 0.000 0.207 458 L C 2.648 179.512 176.870 -0.011 0.000 1.078 458 L CA 1.855 56.701 54.840 0.009 0.000 0.749 458 L CB -0.231 41.844 42.059 0.028 0.000 0.901 458 L HN 0.409 nan 8.230 nan 0.000 0.433 459 S N -0.379 115.263 115.700 -0.096 0.000 2.383 459 S HA 0.001 4.471 4.470 0.001 0.000 0.227 459 S C 1.171 175.710 174.600 -0.102 0.000 1.026 459 S CA 0.845 58.938 58.200 -0.177 0.000 0.981 459 S CB -0.240 62.472 63.200 -0.814 0.000 0.818 459 S HN 0.683 nan 8.310 nan 0.000 0.472 460 G N 2.134 110.860 108.800 -0.122 0.000 2.467 460 G HA2 -0.149 3.811 3.960 0.001 0.000 0.242 460 G HA3 -0.149 3.811 3.960 0.001 0.000 0.242 460 G C -0.608 174.334 174.900 0.070 0.000 1.127 460 G CA -0.585 44.539 45.100 0.039 0.000 0.924 460 G HN 0.497 nan 8.290 nan 0.000 0.499 461 H N 0.253 119.338 119.070 0.025 0.000 2.556 461 H HA 0.360 4.916 4.556 0.001 0.000 0.310 461 H C -2.124 173.207 175.328 0.006 0.000 1.057 461 H CA -2.185 53.845 56.048 -0.029 0.000 1.264 461 H CB 2.027 31.709 29.762 -0.133 0.000 1.404 461 H HN 0.149 nan 8.280 nan 0.000 0.462 462 P HA -0.026 nan 4.420 nan 0.000 0.226 462 P C 0.274 177.604 177.300 0.050 0.000 1.783 462 P CA -0.168 62.972 63.100 0.066 0.000 0.980 462 P CB -0.423 31.299 31.700 0.037 0.000 1.967 463 V N -0.519 119.430 119.914 0.058 0.000 2.904 463 V HA 0.470 4.590 4.120 0.001 0.000 0.305 463 V C 0.173 176.286 176.094 0.032 0.000 1.067 463 V CA -0.728 61.584 62.300 0.020 0.000 1.044 463 V CB 1.145 32.966 31.823 -0.003 0.000 1.050 463 V HN 0.018 nan 8.190 nan 0.000 0.475 464 I N 2.011 122.572 120.570 -0.014 0.000 2.436 464 I HA 0.398 4.568 4.170 0.001 0.000 0.289 464 I C -1.142 174.935 176.117 -0.066 0.000 1.010 464 I CA -0.175 61.130 61.300 0.008 0.000 1.098 464 I CB 1.819 39.802 38.000 -0.028 0.000 1.266 464 I HN 0.668 nan 8.210 nan 0.000 0.434 465 W N 5.544 126.831 121.300 -0.021 0.000 2.335 465 W HA 0.459 5.119 4.660 0.001 0.000 0.307 465 W C -0.322 176.212 176.519 0.025 0.000 1.117 465 W CA -0.500 56.840 57.345 -0.009 0.000 1.228 465 W CB 1.554 30.962 29.460 -0.086 0.000 1.240 465 W HN 0.096 nan 8.180 nan 0.000 0.468 466 V N 5.012 125.072 119.914 0.244 0.000 2.247 466 V HA 0.347 4.467 4.120 0.001 0.000 0.262 466 V C 0.402 176.665 176.094 0.282 0.000 1.096 466 V CA -0.828 61.611 62.300 0.232 0.000 0.895 466 V CB -0.157 31.818 31.823 0.253 0.000 1.141 466 V HN 0.596 nan 8.190 nan 0.000 0.478 467 A N 4.139 127.121 122.820 0.270 0.000 2.527 467 A HA 0.576 4.896 4.320 0.001 0.000 0.313 467 A C 0.899 178.636 177.584 0.255 0.000 1.410 467 A CA -0.173 52.025 52.037 0.268 0.000 1.060 467 A CB -0.136 18.983 19.000 0.198 0.000 1.137 467 A HN 0.769 nan 8.150 nan 0.000 0.542 468 T N -0.450 114.303 114.554 0.331 0.000 2.814 468 T HA 0.428 4.779 4.350 0.001 0.000 0.284 468 T C 0.225 175.141 174.700 0.361 0.000 0.998 468 T CA -0.061 62.254 62.100 0.358 0.000 0.935 468 T CB -0.039 69.138 68.868 0.515 0.000 1.167 468 T HN 0.809 nan 8.240 nan 0.000 0.545 469 H N 0.384 119.469 119.070 0.025 0.000 2.680 469 H HA -0.088 4.469 4.556 0.001 0.000 0.328 469 H C 0.696 175.976 175.328 -0.079 0.000 1.139 469 H CA 0.839 56.822 56.048 -0.109 0.000 1.124 469 H CB -1.745 27.770 29.762 -0.412 0.000 1.584 469 H HN 0.822 nan 8.280 nan 0.000 0.410 470 D N -0.809 119.608 120.400 0.028 0.000 2.349 470 D HA 0.014 4.655 4.640 0.001 0.000 0.224 470 D C 0.610 176.893 176.300 -0.029 0.000 1.029 470 D CA 0.859 54.868 54.000 0.015 0.000 0.879 470 D CB 0.364 41.185 40.800 0.035 0.000 0.906 470 D HN 0.515 nan 8.370 nan 0.000 0.528 471 S N -0.779 114.890 115.700 -0.051 0.000 2.683 471 S HA 0.221 4.692 4.470 0.001 0.000 0.269 471 S C 1.157 175.684 174.600 -0.123 0.000 1.165 471 S CA -0.444 57.695 58.200 -0.102 0.000 0.840 471 S CB -0.142 63.008 63.200 -0.083 0.000 1.169 471 S HN 0.040 nan 8.310 nan 0.000 0.490 472 I N -0.595 119.828 120.570 -0.246 0.000 2.623 472 I HA 0.093 4.263 4.170 0.001 0.000 0.261 472 I C 1.876 177.897 176.117 -0.159 0.000 1.204 472 I CA 1.603 62.734 61.300 -0.282 0.000 1.444 472 I CB -1.236 36.436 38.000 -0.547 0.000 1.094 472 I HN 0.761 nan 8.210 nan 0.000 0.451 473 G N 1.269 110.087 108.800 0.030 0.000 2.535 473 G HA2 -0.094 3.866 3.960 0.001 0.000 0.218 473 G HA3 -0.094 3.866 3.960 0.001 0.000 0.218 473 G C 1.543 176.481 174.900 0.062 0.000 1.122 473 G CA 0.794 46.051 45.100 0.261 0.000 0.769 473 G HN 0.385 nan 8.290 nan 0.000 0.549 474 V N 0.676 120.579 119.914 -0.018 0.000 2.427 474 V HA 0.120 4.241 4.120 0.001 0.000 0.248 474 V C 2.519 178.609 176.094 -0.006 0.000 1.051 474 V CA 1.793 64.067 62.300 -0.043 0.000 1.048 474 V CB -1.022 30.778 31.823 -0.040 0.000 0.666 474 V HN 0.794 nan 8.190 nan 0.000 0.456 475 G N 0.228 109.034 108.800 0.010 0.000 2.720 475 G HA2 -0.405 3.555 3.960 0.001 0.000 0.293 475 G HA3 -0.405 3.555 3.960 0.001 0.000 0.293 475 G C 0.652 175.559 174.900 0.012 0.000 1.256 475 G CA 0.482 45.599 45.100 0.029 0.000 0.974 475 G HN 0.418 nan 8.290 nan 0.000 0.551 476 E N 1.414 121.618 120.200 0.005 0.000 2.472 476 E HA 0.095 4.445 4.350 0.001 0.000 0.200 476 E C 1.569 178.151 176.600 -0.030 0.000 1.046 476 E CA 0.826 57.221 56.400 -0.008 0.000 0.871 476 E CB -0.021 29.676 29.700 -0.005 0.000 0.806 476 E HN 0.443 nan 8.360 nan 0.000 0.533 477 D N -0.096 120.272 120.400 -0.053 0.000 2.317 477 D HA 0.049 4.690 4.640 0.001 0.000 0.211 477 D C 1.043 177.299 176.300 -0.074 0.000 0.966 477 D CA 1.035 54.955 54.000 -0.132 0.000 0.876 477 D CB 0.095 40.744 40.800 -0.252 0.000 0.927 477 D HN 0.218 nan 8.370 nan 0.000 0.519 478 G N 0.775 109.573 108.800 -0.004 0.000 2.681 478 G HA2 -0.210 3.750 3.960 0.001 0.000 0.220 478 G HA3 -0.210 3.750 3.960 0.001 0.000 0.220 478 G C -1.974 172.983 174.900 0.095 0.000 1.353 478 G CA -0.089 45.036 45.100 0.041 0.000 0.872 478 G HN -0.009 nan 8.290 nan 0.000 0.557 479 P HA -0.010 nan 4.420 nan 0.000 0.231 479 P C 1.861 179.233 177.300 0.120 0.000 1.168 479 P CA 2.303 65.477 63.100 0.123 0.000 0.779 479 P CB -0.264 31.504 31.700 0.114 0.000 0.844 480 T N -3.929 110.724 114.554 0.165 0.000 2.962 480 T HA -0.131 4.220 4.350 0.001 0.000 0.270 480 T C 1.017 175.807 174.700 0.151 0.000 1.088 480 T CA 1.299 63.512 62.100 0.188 0.000 1.127 480 T CB -1.026 68.010 68.868 0.281 0.000 0.883 480 T HN 0.208 nan 8.240 nan 0.000 0.493 481 H N -0.014 119.086 119.070 0.050 0.000 2.785 481 H HA 0.464 5.020 4.556 0.001 0.000 0.268 481 H C -0.120 175.142 175.328 -0.110 0.000 1.153 481 H CA -0.569 55.453 56.048 -0.045 0.000 1.111 481 H CB 0.378 30.168 29.762 0.047 0.000 1.633 481 H HN 0.402 nan 8.280 nan 0.000 0.576 482 Q N 2.061 121.885 119.800 0.040 0.000 2.400 482 Q HA 0.285 4.626 4.340 0.001 0.000 0.255 482 Q C -2.595 173.382 176.000 -0.037 0.000 1.008 482 Q CA -2.296 53.497 55.803 -0.016 0.000 0.841 482 Q CB 1.899 30.637 28.738 0.001 0.000 1.220 482 Q HN 0.108 nan 8.270 nan 0.000 0.474 483 P HA -0.054 nan 4.420 nan 0.000 0.264 483 P C -0.242 177.000 177.300 -0.097 0.000 1.193 483 P CA 0.276 63.328 63.100 -0.080 0.000 0.763 483 P CB 0.779 32.433 31.700 -0.077 0.000 0.810 484 I N 2.318 122.826 120.570 -0.103 0.000 3.971 484 I HA 0.005 4.176 4.170 0.001 0.000 0.303 484 I C 1.726 177.751 176.117 -0.155 0.000 1.233 484 I CA 0.933 62.129 61.300 -0.174 0.000 1.346 484 I CB -0.388 37.439 38.000 -0.289 0.000 1.273 484 I HN 0.366 nan 8.210 nan 0.000 0.448 485 E N 0.393 120.513 120.200 -0.133 0.000 2.489 485 E HA 0.056 4.406 4.350 0.001 0.000 0.204 485 E C 1.411 177.951 176.600 -0.099 0.000 1.006 485 E CA 0.570 56.898 56.400 -0.119 0.000 0.936 485 E CB -0.645 28.976 29.700 -0.132 0.000 1.002 485 E HN 0.206 nan 8.360 nan 0.000 0.488 486 T N 2.746 117.249 114.554 -0.085 0.000 2.635 486 T HA -0.119 4.231 4.350 0.001 0.000 0.267 486 T C 2.058 176.696 174.700 -0.104 0.000 1.040 486 T CA 1.867 63.913 62.100 -0.090 0.000 1.156 486 T CB -0.306 68.552 68.868 -0.016 0.000 0.863 486 T HN 0.125 nan 8.240 nan 0.000 0.430 487 L N 0.915 122.104 121.223 -0.057 0.000 2.027 487 L HA 0.003 4.343 4.340 0.001 0.000 0.206 487 L C 3.234 180.012 176.870 -0.152 0.000 1.074 487 L CA 1.130 55.925 54.840 -0.076 0.000 0.745 487 L CB -1.074 40.918 42.059 -0.111 0.000 0.898 487 L HN 0.253 nan 8.230 nan 0.000 0.433 488 A N -0.003 122.730 122.820 -0.144 0.000 1.884 488 A HA -0.342 3.979 4.320 0.001 0.000 0.219 488 A C 2.254 179.776 177.584 -0.103 0.000 1.197 488 A CA 2.303 54.258 52.037 -0.136 0.000 0.637 488 A CB -1.336 17.612 19.000 -0.086 0.000 0.827 488 A HN 0.640 nan 8.150 nan 0.000 0.450 489 H N -2.107 116.817 119.070 -0.243 0.000 2.252 489 H HA -0.211 4.345 4.556 0.001 0.000 0.292 489 H C 1.784 176.947 175.328 -0.274 0.000 1.082 489 H CA 2.106 57.958 56.048 -0.327 0.000 1.229 489 H CB -0.316 29.113 29.762 -0.554 0.000 1.353 489 H HN 0.431 nan 8.280 nan 0.000 0.488 490 F N 0.904 120.651 119.950 -0.338 0.000 2.502 490 F HA 0.063 4.591 4.527 0.001 0.000 0.298 490 F C 2.468 178.128 175.800 -0.233 0.000 1.111 490 F CA 0.700 58.457 58.000 -0.406 0.000 1.445 490 F CB -0.181 38.552 39.000 -0.444 0.000 1.081 490 F HN 0.149 nan 8.300 nan 0.000 0.558 491 R N -1.075 119.382 120.500 -0.073 0.000 2.310 491 R HA 0.086 4.426 4.340 0.001 0.000 0.202 491 R C 1.473 177.757 176.300 -0.026 0.000 0.933 491 R CA 0.485 56.516 56.100 -0.116 0.000 1.054 491 R CB -0.142 29.942 30.300 -0.361 0.000 0.985 491 R HN 0.097 nan 8.270 nan 0.000 0.489 492 S N 0.349 116.048 115.700 -0.003 0.000 2.511 492 S HA 0.077 4.548 4.470 0.001 0.000 0.214 492 S C 0.238 174.869 174.600 0.052 0.000 0.997 492 S CA -0.376 57.839 58.200 0.025 0.000 0.908 492 S CB 0.278 63.489 63.200 0.018 0.000 0.803 492 S HN 0.077 nan 8.310 nan 0.000 0.504 493 L N 4.309 125.570 121.223 0.064 0.000 2.369 493 L HA 0.385 4.725 4.340 0.001 0.000 0.279 493 L C -2.747 174.162 176.870 0.064 0.000 1.108 493 L CA -2.290 52.595 54.840 0.076 0.000 0.852 493 L CB -0.159 41.965 42.059 0.109 0.000 1.169 493 L HN -0.109 nan 8.230 nan 0.000 0.452 494 P HA 0.142 nan 4.420 nan 0.000 0.269 494 P C -0.317 177.014 177.300 0.052 0.000 1.209 494 P CA 0.087 63.237 63.100 0.084 0.000 0.776 494 P CB 0.345 32.092 31.700 0.079 0.000 0.876 495 N N 0.286 119.024 118.700 0.064 0.000 2.740 495 N HA -0.196 4.545 4.740 0.001 0.000 0.248 495 N C -1.071 174.280 175.510 -0.265 0.000 1.062 495 N CA 0.688 53.690 53.050 -0.081 0.000 0.704 495 N CB -1.441 37.044 38.487 -0.003 0.000 0.968 495 N HN 0.463 nan 8.380 nan 0.000 0.547 496 I N 0.052 120.431 120.570 -0.319 0.000 2.686 496 I HA 0.282 4.453 4.170 0.001 0.000 0.295 496 I C -0.779 175.112 176.117 -0.377 0.000 1.114 496 I CA -0.735 60.371 61.300 -0.322 0.000 1.038 496 I CB 1.507 39.399 38.000 -0.180 0.000 1.238 496 I HN 0.060 nan 8.210 nan 0.000 0.420 497 Q N 6.023 125.639 119.800 -0.306 0.000 2.314 497 Q HA 0.457 4.798 4.340 0.001 0.000 0.259 497 Q C -1.187 174.785 176.000 -0.048 0.000 0.951 497 Q CA -0.667 55.068 55.803 -0.114 0.000 0.909 497 Q CB 2.288 31.104 28.738 0.130 0.000 1.236 497 Q HN 0.419 nan 8.270 nan 0.000 0.444 498 V N 3.124 122.969 119.914 -0.115 0.000 2.239 498 V HA 0.216 4.336 4.120 0.001 0.000 0.267 498 V C -0.673 175.348 176.094 -0.123 0.000 1.056 498 V CA -0.890 61.355 62.300 -0.092 0.000 0.830 498 V CB -0.498 31.244 31.823 -0.136 0.000 1.090 498 V HN 0.695 nan 8.190 nan 0.000 0.459 499 W N 2.864 124.176 121.300 0.020 0.000 2.126 499 W HA 0.494 5.155 4.660 0.001 0.000 0.346 499 W C 1.009 177.555 176.519 0.046 0.000 1.279 499 W CA -0.295 57.084 57.345 0.056 0.000 1.259 499 W CB 0.488 29.975 29.460 0.045 0.000 1.133 499 W HN 0.299 nan 8.180 nan 0.000 0.592 500 R N 3.415 124.085 120.500 0.282 0.000 2.818 500 R HA 0.181 4.521 4.340 0.001 0.000 0.258 500 R C -2.662 173.786 176.300 0.245 0.000 1.797 500 R CA -1.532 54.695 56.100 0.211 0.000 1.532 500 R CB 0.604 30.975 30.300 0.118 0.000 1.413 500 R HN 0.114 nan 8.270 nan 0.000 0.622 501 P HA -0.006 nan 4.420 nan 0.000 0.264 501 P C 0.093 177.489 177.300 0.160 0.000 1.193 501 P CA 0.340 63.588 63.100 0.247 0.000 0.763 501 P CB 1.609 33.437 31.700 0.214 0.000 0.810 502 A N 3.184 126.095 122.820 0.151 0.000 2.095 502 A HA 0.104 4.425 4.320 0.001 0.000 0.212 502 A C 0.681 178.303 177.584 0.063 0.000 1.162 502 A CA 1.266 53.359 52.037 0.095 0.000 0.753 502 A CB -0.350 18.706 19.000 0.092 0.000 0.840 502 A HN 0.687 nan 8.150 nan 0.000 0.468 503 D N -5.130 115.313 120.400 0.071 0.000 2.946 503 D HA 0.395 5.035 4.640 0.001 0.000 0.337 503 D C 1.168 177.461 176.300 -0.012 0.000 1.332 503 D CA 0.160 54.163 54.000 0.005 0.000 0.935 503 D CB -0.030 40.778 40.800 0.013 0.000 1.440 503 D HN -0.023 nan 8.370 nan 0.000 0.540 504 G N -0.172 108.543 108.800 -0.142 0.000 2.586 504 G HA2 -0.333 3.628 3.960 0.001 0.000 0.218 504 G HA3 -0.333 3.628 3.960 0.001 0.000 0.218 504 G C 1.116 176.137 174.900 0.203 0.000 1.216 504 G CA 1.261 46.245 45.100 -0.194 0.000 0.786 504 G HN 0.536 nan 8.290 nan 0.000 0.583 505 N N 0.813 119.658 118.700 0.241 0.000 2.223 505 N HA -0.063 4.678 4.740 0.001 0.000 0.185 505 N C 2.044 177.637 175.510 0.138 0.000 1.016 505 N CA 1.053 54.213 53.050 0.183 0.000 0.863 505 N CB -0.284 38.289 38.487 0.143 0.000 0.983 505 N HN 0.558 nan 8.380 nan 0.000 0.429 506 E N 0.048 120.342 120.200 0.158 0.000 2.285 506 E HA -0.008 4.343 4.350 0.001 0.000 0.194 506 E C 1.720 178.411 176.600 0.152 0.000 0.997 506 E CA 0.140 56.656 56.400 0.193 0.000 0.845 506 E CB 0.301 30.150 29.700 0.249 0.000 0.782 506 E HN 0.065 nan 8.360 nan 0.000 0.491 507 V N 0.473 120.468 119.914 0.136 0.000 2.283 507 V HA -0.215 3.906 4.120 0.001 0.000 0.243 507 V C 2.158 178.343 176.094 0.153 0.000 1.039 507 V CA 1.718 64.110 62.300 0.153 0.000 1.016 507 V CB -0.280 31.634 31.823 0.152 0.000 0.650 507 V HN 0.192 nan 8.190 nan 0.000 0.449 508 S N 0.241 116.019 115.700 0.130 0.000 2.400 508 S HA -0.196 4.275 4.470 0.001 0.000 0.232 508 S C 2.090 176.696 174.600 0.010 0.000 1.025 508 S CA 1.436 59.689 58.200 0.088 0.000 0.993 508 S CB -0.424 62.808 63.200 0.052 0.000 0.808 508 S HN 0.649 nan 8.310 nan 0.000 0.478 509 A N 1.224 124.012 122.820 -0.053 0.000 1.929 509 A HA 0.295 4.616 4.320 0.001 0.000 0.216 509 A C 2.318 179.602 177.584 -0.500 0.000 1.176 509 A CA 1.359 53.304 52.037 -0.153 0.000 0.628 509 A CB -0.890 18.082 19.000 -0.047 0.000 0.816 509 A HN 0.492 nan 8.150 nan 0.000 0.444 510 A N -1.085 121.316 122.820 -0.700 0.000 1.858 510 A HA -0.075 4.245 4.320 0.001 0.000 0.216 510 A C 2.086 179.210 177.584 -0.766 0.000 1.190 510 A CA 1.549 52.784 52.037 -1.336 0.000 0.617 510 A CB -0.884 17.718 19.000 -0.663 0.000 0.827 510 A HN 0.542 nan 8.150 nan 0.000 0.443 511 Y N 0.778 120.899 120.300 -0.297 0.000 2.128 511 Y HA -0.283 4.267 4.550 0.001 0.000 0.284 511 Y C 2.568 178.481 175.900 0.022 0.000 1.154 511 Y CA 2.239 60.270 58.100 -0.115 0.000 1.149 511 Y CB -0.227 38.224 38.460 -0.014 0.000 0.976 511 Y HN 0.533 nan 8.280 nan 0.000 0.505 512 K N 0.026 120.543 120.400 0.195 0.000 2.032 512 K HA -0.205 4.115 4.320 0.001 0.000 0.209 512 K C 1.555 178.276 176.600 0.201 0.000 1.048 512 K CA 2.093 58.572 56.287 0.321 0.000 0.927 512 K CB -0.408 32.122 32.500 0.051 0.000 0.712 512 K HN 0.134 nan 8.250 nan 0.000 0.441 513 N N 0.555 119.270 118.700 0.024 0.000 2.244 513 N HA -0.063 4.678 4.740 0.001 0.000 0.183 513 N C 1.650 177.218 175.510 0.097 0.000 1.016 513 N CA 1.443 54.560 53.050 0.112 0.000 0.866 513 N CB -0.199 38.427 38.487 0.231 0.000 0.980 513 N HN 0.264 nan 8.380 nan 0.000 0.430 514 S N 0.769 116.447 115.700 -0.037 0.000 2.345 514 S HA 0.047 4.518 4.470 0.001 0.000 0.220 514 S C 1.963 176.555 174.600 -0.012 0.000 1.031 514 S CA 0.595 58.776 58.200 -0.033 0.000 0.996 514 S CB -0.359 62.728 63.200 -0.188 0.000 0.882 514 S HN 0.222 nan 8.310 nan 0.000 0.445 515 L N 1.147 122.358 121.223 -0.020 0.000 2.265 515 L HA -0.066 4.274 4.340 0.001 0.000 0.215 515 L C 2.201 179.017 176.870 -0.089 0.000 1.117 515 L CA 1.078 55.861 54.840 -0.094 0.000 0.782 515 L CB -0.348 41.572 42.059 -0.232 0.000 0.914 515 L HN 0.360 nan 8.230 nan 0.000 0.441 516 E N -1.190 119.048 120.200 0.063 0.000 2.442 516 E HA -0.013 4.338 4.350 0.001 0.000 0.195 516 E C 0.856 177.490 176.600 0.057 0.000 1.030 516 E CA -0.209 56.246 56.400 0.092 0.000 0.869 516 E CB 0.395 30.223 29.700 0.215 0.000 0.857 516 E HN 0.153 nan 8.360 nan 0.000 0.505 517 S N 0.673 116.405 115.700 0.053 0.000 2.549 517 S HA 0.042 4.513 4.470 0.001 0.000 0.283 517 S C 0.758 175.339 174.600 -0.031 0.000 1.320 517 S CA 0.104 58.332 58.200 0.047 0.000 1.058 517 S CB 0.681 63.925 63.200 0.072 0.000 0.882 517 S HN 0.072 nan 8.310 nan 0.000 0.498 518 K N 1.842 122.172 120.400 -0.118 0.000 2.374 518 K HA 0.183 4.503 4.320 0.001 0.000 0.202 518 K C 0.143 176.425 176.600 -0.531 0.000 1.040 518 K CA -0.002 56.088 56.287 -0.327 0.000 1.085 518 K CB 0.240 32.462 32.500 -0.463 0.000 0.873 518 K HN 0.675 nan 8.250 nan 0.000 0.539 519 H N -1.673 117.458 119.070 0.102 0.000 3.935 519 H HA 0.124 4.680 4.556 0.001 0.000 0.264 519 H C -0.352 175.004 175.328 0.047 0.000 1.148 519 H CA -0.011 56.094 56.048 0.094 0.000 1.177 519 H CB 1.147 30.972 29.762 0.104 0.000 1.511 519 H HN -0.131 nan 8.280 nan 0.000 0.745 520 T N 5.426 120.036 114.554 0.094 0.000 2.771 520 T HA 0.289 4.639 4.350 0.001 0.000 0.281 520 T C -2.403 172.278 174.700 -0.032 0.000 0.982 520 T CA -1.351 60.721 62.100 -0.047 0.000 0.978 520 T CB 2.737 71.483 68.868 -0.205 0.000 0.930 520 T HN 0.009 nan 8.240 nan 0.000 0.447 521 P HA 0.179 nan 4.420 nan 0.000 0.272 521 P C -0.415 176.878 177.300 -0.012 0.000 1.248 521 P CA -0.293 62.809 63.100 0.004 0.000 0.799 521 P CB 0.647 32.355 31.700 0.014 0.000 0.997 522 S N -0.616 115.116 115.700 0.053 0.000 2.541 522 S HA 0.640 5.111 4.470 0.001 0.000 0.271 522 S C -1.184 173.480 174.600 0.106 0.000 1.133 522 S CA -0.714 57.533 58.200 0.079 0.000 0.876 522 S CB 0.499 63.763 63.200 0.106 0.000 1.105 522 S HN 0.253 nan 8.310 nan 0.000 0.470 523 I N 3.912 124.528 120.570 0.078 0.000 2.447 523 I HA 0.496 4.667 4.170 0.001 0.000 0.287 523 I C -0.874 175.324 176.117 0.134 0.000 1.023 523 I CA -0.465 60.872 61.300 0.062 0.000 1.083 523 I CB 1.736 39.645 38.000 -0.152 0.000 1.245 523 I HN 0.532 nan 8.210 nan 0.000 0.434 524 I N 5.991 126.642 120.570 0.135 0.000 2.354 524 I HA 0.481 4.651 4.170 0.001 0.000 0.286 524 I C 0.319 176.526 176.117 0.150 0.000 1.007 524 I CA -0.491 60.896 61.300 0.146 0.000 1.167 524 I CB 1.554 39.554 38.000 -0.001 0.000 1.320 524 I HN 0.575 nan 8.210 nan 0.000 0.458 525 A N 8.229 131.138 122.820 0.148 0.000 2.328 525 A HA 0.806 5.126 4.320 0.001 0.000 0.284 525 A C -0.544 177.117 177.584 0.129 0.000 1.160 525 A CA -0.205 51.907 52.037 0.126 0.000 0.818 525 A CB 0.494 19.548 19.000 0.091 0.000 1.087 525 A HN 0.717 nan 8.150 nan 0.000 0.504 526 L N 1.698 122.998 121.223 0.127 0.000 2.333 526 L HA 0.563 4.903 4.340 0.001 0.000 0.263 526 L C 0.610 177.520 176.870 0.067 0.000 1.014 526 L CA -0.738 54.170 54.840 0.113 0.000 0.820 526 L CB 2.458 44.604 42.059 0.145 0.000 1.352 526 L HN 0.813 nan 8.230 nan 0.000 0.421 527 S N -0.153 115.565 115.700 0.031 0.000 2.646 527 S HA 0.397 4.867 4.470 0.001 0.000 0.276 527 S C 0.566 175.111 174.600 -0.091 0.000 1.222 527 S CA -0.617 57.571 58.200 -0.021 0.000 1.014 527 S CB 2.032 65.221 63.200 -0.017 0.000 0.991 527 S HN 0.731 nan 8.310 nan 0.000 0.533 528 R N 0.790 121.182 120.500 -0.180 0.000 2.080 528 R HA 0.013 4.354 4.340 0.001 0.000 0.222 528 R C 0.938 177.161 176.300 -0.128 0.000 1.107 528 R CA 0.596 56.527 56.100 -0.282 0.000 0.980 528 R CB -0.156 29.899 30.300 -0.409 0.000 0.879 528 R HN 0.881 nan 8.270 nan 0.000 0.439 529 Q N 1.514 121.264 119.800 -0.084 0.000 2.354 529 Q HA 0.070 4.410 4.340 0.001 0.000 0.244 529 Q C -1.048 174.917 176.000 -0.058 0.000 0.969 529 Q CA -0.353 55.415 55.803 -0.059 0.000 0.885 529 Q CB 0.445 29.150 28.738 -0.055 0.000 1.241 529 Q HN 0.016 nan 8.270 nan 0.000 0.461 530 N N 1.550 120.218 118.700 -0.054 0.000 2.492 530 N HA 0.260 5.000 4.740 0.001 0.000 0.262 530 N C -0.653 174.818 175.510 -0.065 0.000 1.202 530 N CA 0.192 53.210 53.050 -0.053 0.000 0.926 530 N CB 0.353 38.813 38.487 -0.044 0.000 1.078 530 N HN 0.467 nan 8.380 nan 0.000 0.454 531 L N 3.223 124.409 121.223 -0.061 0.000 2.401 531 L HA 0.545 4.885 4.340 0.001 0.000 0.266 531 L C -2.163 174.673 176.870 -0.056 0.000 0.991 531 L CA -1.901 52.902 54.840 -0.061 0.000 0.818 531 L CB 2.770 44.798 42.059 -0.051 0.000 1.321 531 L HN 0.312 nan 8.230 nan 0.000 0.413 532 P HA 0.092 nan 4.420 nan 0.000 0.274 532 P C -1.430 175.852 177.300 -0.030 0.000 1.256 532 P CA -0.523 62.556 63.100 -0.035 0.000 0.795 532 P CB 0.830 32.517 31.700 -0.021 0.000 1.038 533 Q N 0.678 120.466 119.800 -0.020 0.000 2.235 533 Q HA 0.433 4.773 4.340 0.001 0.000 0.250 533 Q C -0.120 175.898 176.000 0.029 0.000 0.909 533 Q CA -0.532 55.270 55.803 -0.000 0.000 0.910 533 Q CB 0.928 29.675 28.738 0.014 0.000 1.223 533 Q HN 0.449 nan 8.270 nan 0.000 0.432 534 L N 1.421 122.676 121.223 0.053 0.000 2.309 534 L HA 0.266 4.607 4.340 0.001 0.000 0.282 534 L C 0.432 177.347 176.870 0.075 0.000 1.036 534 L CA -0.889 53.989 54.840 0.062 0.000 0.806 534 L CB 1.092 43.198 42.059 0.078 0.000 1.220 534 L HN 0.509 nan 8.230 nan 0.000 0.429 535 E N 1.979 122.216 120.200 0.061 0.000 1.985 535 E HA 0.367 4.717 4.350 0.001 0.000 0.268 535 E C 0.670 177.317 176.600 0.079 0.000 1.219 535 E CA 0.806 57.242 56.400 0.061 0.000 0.942 535 E CB -0.035 29.692 29.700 0.044 0.000 1.045 535 E HN 0.713 nan 8.360 nan 0.000 0.413 536 G N 2.830 111.689 108.800 0.100 0.000 2.901 536 G HA2 -0.210 3.751 3.960 0.001 0.000 0.194 536 G HA3 -0.210 3.751 3.960 0.001 0.000 0.194 536 G C 0.257 175.276 174.900 0.198 0.000 1.020 536 G CA -0.080 45.103 45.100 0.137 0.000 0.787 536 G HN 0.810 nan 8.290 nan 0.000 0.477 537 S N 0.597 116.419 115.700 0.204 0.000 2.576 537 S HA 0.660 5.130 4.470 0.001 0.000 0.272 537 S C 0.190 174.840 174.600 0.084 0.000 1.352 537 S CA 1.012 59.348 58.200 0.227 0.000 1.021 537 S CB 1.525 64.852 63.200 0.212 0.000 0.887 537 S HN 1.968 nan 8.310 nan 0.000 0.542 538 S N 0.672 116.359 115.700 -0.020 0.000 2.558 538 S HA 0.401 4.871 4.470 0.001 0.000 0.277 538 S C 0.535 175.090 174.600 -0.074 0.000 1.143 538 S CA -0.977 57.199 58.200 -0.040 0.000 0.865 538 S CB 0.220 63.382 63.200 -0.063 0.000 1.102 538 S HN 0.613 nan 8.310 nan 0.000 0.454 539 I N 1.312 121.858 120.570 -0.040 0.000 2.163 539 I HA -0.266 3.905 4.170 0.001 0.000 0.243 539 I C 2.428 178.506 176.117 -0.066 0.000 1.085 539 I CA 1.861 63.136 61.300 -0.041 0.000 1.347 539 I CB -0.548 37.420 38.000 -0.052 0.000 1.044 539 I HN 0.753 nan 8.210 nan 0.000 0.408 540 E N 0.888 121.040 120.200 -0.081 0.000 2.049 540 E HA -0.211 4.139 4.350 0.001 0.000 0.198 540 E C 2.253 178.782 176.600 -0.118 0.000 1.007 540 E CA 1.940 58.291 56.400 -0.082 0.000 0.809 540 E CB -0.447 29.209 29.700 -0.073 0.000 0.749 540 E HN 0.313 nan 8.360 nan 0.000 0.450 541 S N 0.076 115.637 115.700 -0.231 0.000 2.387 541 S HA -0.038 4.432 4.470 0.001 0.000 0.226 541 S C 2.022 176.370 174.600 -0.420 0.000 1.026 541 S CA 0.817 58.780 58.200 -0.395 0.000 0.972 541 S CB -0.235 62.481 63.200 -0.806 0.000 0.814 541 S HN 0.415 nan 8.310 nan 0.000 0.477 542 A N 1.246 123.862 122.820 -0.341 0.000 2.014 542 A HA 0.028 4.349 4.320 0.001 0.000 0.218 542 A C 2.157 179.941 177.584 0.335 0.000 1.163 542 A CA 1.212 53.296 52.037 0.078 0.000 0.652 542 A CB -0.653 18.460 19.000 0.189 0.000 0.808 542 A HN 0.403 nan 8.150 nan 0.000 0.449 543 S N -0.027 115.788 115.700 0.192 0.000 2.465 543 S HA -0.139 4.332 4.470 0.001 0.000 0.241 543 S C 1.600 176.351 174.600 0.252 0.000 1.000 543 S CA 1.478 59.824 58.200 0.243 0.000 0.964 543 S CB -0.182 63.071 63.200 0.089 0.000 0.763 543 S HN 0.657 nan 8.310 nan 0.000 0.512 544 K N -0.042 120.470 120.400 0.187 0.000 2.426 544 K HA 0.178 4.499 4.320 0.001 0.000 0.193 544 K C 1.587 178.363 176.600 0.292 0.000 1.028 544 K CA 0.519 56.890 56.287 0.140 0.000 1.047 544 K CB 0.095 32.607 32.500 0.019 0.000 0.821 544 K HN 0.402 nan 8.250 nan 0.000 0.513 545 G N 0.899 109.899 108.800 0.334 0.000 2.253 545 G HA2 -0.236 3.725 3.960 0.001 0.000 0.251 545 G HA3 -0.236 3.725 3.960 0.001 0.000 0.251 545 G C 0.283 175.312 174.900 0.214 0.000 0.998 545 G CA -0.070 45.152 45.100 0.203 0.000 0.621 545 G HN 0.576 nan 8.290 nan 0.000 0.524 546 G N -0.800 108.212 108.800 0.354 0.000 2.752 546 G HA2 0.819 4.780 3.960 0.001 0.000 0.298 546 G HA3 0.819 4.780 3.960 0.001 0.000 0.298 546 G C -1.028 174.089 174.900 0.362 0.000 1.434 546 G CA 0.234 45.306 45.100 -0.046 0.000 1.004 546 G HN 1.739 nan 8.290 nan 0.000 0.560 547 Y N -0.697 119.635 120.300 0.053 0.000 2.624 547 Y HA 0.704 5.254 4.550 0.001 0.000 0.334 547 Y C -0.815 175.110 175.900 0.041 0.000 1.155 547 Y CA -1.727 56.455 58.100 0.136 0.000 1.046 547 Y CB 1.029 39.607 38.460 0.196 0.000 1.316 547 Y HN 0.475 nan 8.280 nan 0.000 0.457 548 V N 3.914 123.904 119.914 0.128 0.000 2.446 548 V HA 0.024 4.145 4.120 0.001 0.000 0.276 548 V C 0.812 176.931 176.094 0.043 0.000 1.030 548 V CA 0.061 62.364 62.300 0.006 0.000 1.033 548 V CB 0.576 32.426 31.823 0.043 0.000 0.993 548 V HN 0.938 nan 8.190 nan 0.000 0.477 549 L N 4.258 125.413 121.223 -0.115 0.000 2.168 549 L HA 0.182 4.523 4.340 0.001 0.000 0.203 549 L C 0.988 177.885 176.870 0.044 0.000 1.078 549 L CA 1.628 56.457 54.840 -0.019 0.000 0.780 549 L CB 0.188 42.181 42.059 -0.109 0.000 0.939 549 L HN 0.698 nan 8.230 nan 0.000 0.451 550 Q N -0.077 119.725 119.800 0.005 0.000 2.285 550 Q HA 0.266 4.607 4.340 0.001 0.000 0.269 550 Q C -1.526 174.479 176.000 0.008 0.000 1.030 550 Q CA -0.582 55.231 55.803 0.016 0.000 0.788 550 Q CB 2.308 31.050 28.738 0.007 0.000 1.266 550 Q HN 0.034 nan 8.270 nan 0.000 0.438 551 D N 1.157 121.567 120.400 0.018 0.000 2.326 551 D HA 0.675 5.316 4.640 0.001 0.000 0.248 551 D C -1.066 175.239 176.300 0.009 0.000 1.001 551 D CA -0.586 53.422 54.000 0.012 0.000 0.961 551 D CB 2.140 42.953 40.800 0.020 0.000 1.183 551 D HN 0.268 nan 8.370 nan 0.000 0.502 552 V N -0.566 119.351 119.914 0.005 0.000 3.007 552 V HA 0.805 4.925 4.120 0.001 0.000 0.311 552 V C -0.379 175.717 176.094 0.003 0.000 1.120 552 V CA -1.309 60.993 62.300 0.004 0.000 0.980 552 V CB 1.373 33.197 31.823 0.001 0.000 1.033 552 V HN 0.674 nan 8.190 nan 0.000 0.429 553 A N 2.141 124.963 122.820 0.003 0.000 2.274 553 A HA 0.673 4.993 4.320 0.001 0.000 0.309 553 A C 0.414 177.997 177.584 -0.001 0.000 1.226 553 A CA -0.339 51.699 52.037 0.002 0.000 0.853 553 A CB -0.241 18.761 19.000 0.003 0.000 1.146 553 A HN 1.181 nan 8.150 nan 0.000 0.518 554 N N 1.115 119.813 118.700 -0.003 0.000 2.621 554 N HA -0.092 4.648 4.740 0.001 0.000 0.269 554 N C -2.653 172.853 175.510 -0.007 0.000 1.154 554 N CA 0.797 53.843 53.050 -0.006 0.000 0.696 554 N CB -1.273 37.210 38.487 -0.006 0.000 0.878 554 N HN 0.623 nan 8.380 nan 0.000 0.550 555 P HA 0.150 nan 4.420 nan 0.000 0.275 555 P C 0.325 177.619 177.300 -0.010 0.000 1.228 555 P CA -0.047 63.048 63.100 -0.008 0.000 0.786 555 P CB 1.129 32.824 31.700 -0.008 0.000 0.927 556 D N 1.065 121.461 120.400 -0.007 0.000 2.249 556 D HA 0.102 4.742 4.640 0.001 0.000 0.205 556 D C 0.812 177.111 176.300 -0.003 0.000 0.962 556 D CA 1.089 55.086 54.000 -0.005 0.000 0.860 556 D CB 0.622 41.421 40.800 -0.002 0.000 0.955 556 D HN 0.345 nan 8.370 nan 0.000 0.505 557 I N -0.100 120.469 120.570 -0.001 0.000 2.908 557 I HA 0.264 4.434 4.170 0.001 0.000 0.300 557 I C -1.806 174.313 176.117 0.002 0.000 1.385 557 I CA -0.717 60.586 61.300 0.005 0.000 1.004 557 I CB 2.723 40.732 38.000 0.015 0.000 1.309 557 I HN -0.332 nan 8.210 nan 0.000 0.449 558 I N 6.665 127.240 120.570 0.009 0.000 2.433 558 I HA 0.432 4.603 4.170 0.001 0.000 0.292 558 I C -1.171 174.947 176.117 0.002 0.000 1.001 558 I CA -0.705 60.594 61.300 -0.000 0.000 1.119 558 I CB 1.798 39.800 38.000 0.003 0.000 1.289 558 I HN 0.325 nan 8.210 nan 0.000 0.438 559 L N 6.929 128.141 121.223 -0.019 0.000 2.325 559 L HA 0.575 4.915 4.340 0.001 0.000 0.281 559 L C -0.766 176.068 176.870 -0.060 0.000 1.004 559 L CA -0.886 53.938 54.840 -0.028 0.000 0.823 559 L CB 1.832 43.879 42.059 -0.020 0.000 1.236 559 L HN 0.251 nan 8.230 nan 0.000 0.415 560 V N 1.636 121.499 119.914 -0.084 0.000 2.417 560 V HA 0.929 5.050 4.120 0.001 0.000 0.291 560 V C 0.075 176.069 176.094 -0.167 0.000 1.024 560 V CA -0.477 61.756 62.300 -0.111 0.000 0.861 560 V CB 1.234 33.019 31.823 -0.064 0.000 0.985 560 V HN 0.869 nan 8.190 nan 0.000 0.436 561 A N 3.247 126.006 122.820 -0.102 0.000 2.594 561 A HA 1.011 5.332 4.320 0.001 0.000 0.291 561 A C -0.276 177.327 177.584 0.033 0.000 1.105 561 A CA -0.233 51.758 52.037 -0.077 0.000 0.694 561 A CB 2.292 21.263 19.000 -0.048 0.000 1.291 561 A HN 1.097 nan 8.150 nan 0.000 0.410 562 T N -1.739 112.871 114.554 0.093 0.000 2.906 562 T HA 0.755 5.106 4.350 0.001 0.000 0.295 562 T C 0.834 175.587 174.700 0.088 0.000 1.075 562 T CA 0.475 62.659 62.100 0.140 0.000 1.005 562 T CB 1.071 70.101 68.868 0.269 0.000 1.136 562 T HN 2.672 nan 8.240 nan 0.000 0.498 563 G N 2.200 111.057 108.800 0.093 0.000 2.614 563 G HA2 -0.367 3.594 3.960 0.001 0.000 0.303 563 G HA3 -0.367 3.594 3.960 0.001 0.000 0.303 563 G C 1.301 176.221 174.900 0.034 0.000 1.270 563 G CA 1.752 46.895 45.100 0.072 0.000 0.988 563 G HN 2.075 nan 8.290 nan 0.000 0.551 564 S N -0.185 115.522 115.700 0.011 0.000 2.440 564 S HA -0.076 4.394 4.470 0.001 0.000 0.238 564 S C 1.800 176.381 174.600 -0.032 0.000 1.010 564 S CA 2.201 60.386 58.200 -0.025 0.000 0.972 564 S CB -0.164 63.010 63.200 -0.045 0.000 0.774 564 S HN 0.649 nan 8.310 nan 0.000 0.501 565 E N 1.250 121.441 120.200 -0.015 0.000 2.274 565 E HA 0.050 4.400 4.350 0.001 0.000 0.194 565 E C 2.003 178.609 176.600 0.010 0.000 0.996 565 E CA 0.532 56.933 56.400 0.001 0.000 0.840 565 E CB -0.618 29.072 29.700 -0.016 0.000 0.772 565 E HN 0.430 nan 8.360 nan 0.000 0.491 566 V N 0.718 120.633 119.914 0.003 0.000 2.255 566 V HA -0.319 3.801 4.120 0.001 0.000 0.247 566 V C 2.069 178.162 176.094 -0.002 0.000 1.051 566 V CA 2.073 64.369 62.300 -0.006 0.000 1.018 566 V CB -0.803 31.019 31.823 -0.003 0.000 0.641 566 V HN 0.270 nan 8.190 nan 0.000 0.445 567 S N 0.488 116.187 115.700 -0.003 0.000 2.368 567 S HA -0.291 4.179 4.470 0.001 0.000 0.226 567 S C 1.913 176.511 174.600 -0.003 0.000 1.044 567 S CA 2.096 60.291 58.200 -0.009 0.000 1.062 567 S CB -0.678 62.505 63.200 -0.028 0.000 0.931 567 S HN 0.431 nan 8.310 nan 0.000 0.440 568 L N 1.659 122.885 121.223 0.004 0.000 2.131 568 L HA -0.037 4.303 4.340 0.001 0.000 0.210 568 L C 2.252 179.151 176.870 0.048 0.000 1.092 568 L CA 1.528 56.389 54.840 0.034 0.000 0.759 568 L CB -0.729 41.379 42.059 0.081 0.000 0.903 568 L HN 0.174 nan 8.230 nan 0.000 0.435 569 S N -1.451 114.274 115.700 0.041 0.000 2.368 569 S HA -0.129 4.341 4.470 0.001 0.000 0.224 569 S C 1.954 176.563 174.600 0.014 0.000 1.029 569 S CA 1.258 59.477 58.200 0.032 0.000 0.988 569 S CB -0.318 62.891 63.200 0.015 0.000 0.838 569 S HN 0.312 nan 8.310 nan 0.000 0.462 570 V N 1.717 121.635 119.914 0.007 0.000 2.332 570 V HA -0.182 3.938 4.120 0.001 0.000 0.248 570 V C 2.582 178.681 176.094 0.008 0.000 1.055 570 V CA 1.956 64.258 62.300 0.004 0.000 1.038 570 V CB -0.597 31.229 31.823 0.005 0.000 0.651 570 V HN 0.358 nan 8.190 nan 0.000 0.450 571 E N 0.302 120.508 120.200 0.010 0.000 2.072 571 E HA -0.138 4.213 4.350 0.001 0.000 0.191 571 E C 2.166 178.774 176.600 0.013 0.000 0.985 571 E CA 1.487 57.893 56.400 0.011 0.000 0.801 571 E CB -0.506 29.200 29.700 0.010 0.000 0.750 571 E HN 0.539 nan 8.360 nan 0.000 0.452 572 A N 0.394 123.226 122.820 0.019 0.000 1.969 572 A HA -0.022 4.298 4.320 0.001 0.000 0.218 572 A C 2.337 179.924 177.584 0.005 0.000 1.169 572 A CA 1.782 53.828 52.037 0.015 0.000 0.635 572 A CB -0.703 18.312 19.000 0.026 0.000 0.810 572 A HN 0.323 nan 8.150 nan 0.000 0.445 573 A N -0.078 122.745 122.820 0.005 0.000 1.968 573 A HA -0.091 4.230 4.320 0.001 0.000 0.217 573 A C 2.058 179.643 177.584 0.001 0.000 1.169 573 A CA 1.580 53.617 52.037 0.001 0.000 0.638 573 A CB -0.324 18.676 19.000 0.000 0.000 0.812 573 A HN 0.548 nan 8.150 nan 0.000 0.446 574 K N -0.767 119.634 120.400 0.003 0.000 2.097 574 K HA -0.074 4.246 4.320 0.001 0.000 0.205 574 K C 2.054 178.654 176.600 0.001 0.000 1.050 574 K CA 1.646 57.935 56.287 0.003 0.000 0.938 574 K CB -0.381 32.121 32.500 0.004 0.000 0.718 574 K HN 0.421 nan 8.250 nan 0.000 0.442 575 T N 2.117 116.671 114.554 -0.000 0.000 2.643 575 T HA -0.108 4.243 4.350 0.001 0.000 0.264 575 T C 1.863 176.560 174.700 -0.006 0.000 1.045 575 T CA 1.188 63.286 62.100 -0.003 0.000 1.155 575 T CB -0.263 68.603 68.868 -0.004 0.000 0.863 575 T HN 0.099 nan 8.240 nan 0.000 0.420 576 L N 0.835 122.053 121.223 -0.008 0.000 2.131 576 L HA -0.096 4.245 4.340 0.001 0.000 0.210 576 L C 2.993 179.859 176.870 -0.007 0.000 1.092 576 L CA 1.005 55.839 54.840 -0.009 0.000 0.759 576 L CB -0.703 41.350 42.059 -0.010 0.000 0.903 576 L HN 0.245 nan 8.230 nan 0.000 0.435 577 A N 0.290 123.107 122.820 -0.004 0.000 1.908 577 A HA -0.193 4.127 4.320 0.001 0.000 0.218 577 A C 2.551 180.134 177.584 -0.003 0.000 1.181 577 A CA 1.772 53.808 52.037 -0.002 0.000 0.627 577 A CB -0.696 18.304 19.000 -0.000 0.000 0.818 577 A HN 0.396 nan 8.150 nan 0.000 0.445 578 A N -0.396 122.423 122.820 -0.003 0.000 2.019 578 A HA -0.102 4.219 4.320 0.001 0.000 0.219 578 A C 1.771 179.352 177.584 -0.005 0.000 1.164 578 A CA 1.588 53.623 52.037 -0.003 0.000 0.644 578 A CB -0.291 18.707 19.000 -0.003 0.000 0.805 578 A HN 0.547 nan 8.150 nan 0.000 0.449 579 K N -0.336 120.060 120.400 -0.007 0.000 2.498 579 K HA 0.178 4.499 4.320 0.001 0.000 0.207 579 K C -0.209 176.387 176.600 -0.007 0.000 1.033 579 K CA -0.225 56.057 56.287 -0.008 0.000 1.138 579 K CB -0.039 32.454 32.500 -0.011 0.000 0.860 579 K HN 0.431 nan 8.250 nan 0.000 0.490 580 N N 1.388 120.085 118.700 -0.006 0.000 2.725 580 N HA -0.194 4.546 4.740 0.001 0.000 0.251 580 N C -1.178 174.329 175.510 -0.005 0.000 1.031 580 N CA 0.513 53.560 53.050 -0.005 0.000 0.720 580 N CB -0.556 37.928 38.487 -0.005 0.000 0.930 580 N HN 0.163 nan 8.380 nan 0.000 0.543 581 I N 1.277 121.843 120.570 -0.006 0.000 2.404 581 I HA 0.238 4.408 4.170 0.001 0.000 0.293 581 I C 0.171 176.286 176.117 -0.004 0.000 0.992 581 I CA -0.216 61.081 61.300 -0.005 0.000 1.149 581 I CB 1.660 39.656 38.000 -0.007 0.000 1.315 581 I HN -0.101 nan 8.210 nan 0.000 0.446 582 K N 5.537 125.935 120.400 -0.004 0.000 2.334 582 K HA 0.759 5.080 4.320 0.001 0.000 0.265 582 K C -0.765 175.833 176.600 -0.004 0.000 1.039 582 K CA -0.474 55.811 56.287 -0.003 0.000 0.920 582 K CB 1.451 33.949 32.500 -0.003 0.000 1.160 582 K HN 0.654 nan 8.250 nan 0.000 0.451 583 A N 3.378 126.195 122.820 -0.004 0.000 2.304 583 A HA 0.447 4.768 4.320 0.001 0.000 0.323 583 A C -0.434 177.146 177.584 -0.008 0.000 1.195 583 A CA -0.738 51.296 52.037 -0.006 0.000 0.826 583 A CB 0.711 19.707 19.000 -0.006 0.000 1.184 583 A HN 0.797 nan 8.150 nan 0.000 0.496 584 R N 1.932 122.426 120.500 -0.011 0.000 2.349 584 R HA 0.561 4.902 4.340 0.001 0.000 0.299 584 R C -1.383 174.900 176.300 -0.028 0.000 1.027 584 R CA -0.167 55.923 56.100 -0.016 0.000 0.958 584 R CB 0.928 31.218 30.300 -0.017 0.000 1.047 584 R HN 0.434 nan 8.270 nan 0.000 0.468 585 V N 5.127 125.018 119.914 -0.038 0.000 2.384 585 V HA 0.400 4.521 4.120 0.001 0.000 0.287 585 V C -0.538 175.491 176.094 -0.107 0.000 1.020 585 V CA -0.855 61.409 62.300 -0.060 0.000 0.850 585 V CB 1.584 33.379 31.823 -0.046 0.000 0.987 585 V HN 0.547 nan 8.190 nan 0.000 0.436 586 V N 3.555 123.384 119.914 -0.142 0.000 2.417 586 V HA 0.525 4.646 4.120 0.001 0.000 0.291 586 V C 0.239 176.168 176.094 -0.276 0.000 1.024 586 V CA -0.286 61.877 62.300 -0.228 0.000 0.861 586 V CB 2.016 33.715 31.823 -0.206 0.000 0.985 586 V HN 0.913 nan 8.190 nan 0.000 0.436 587 S N 5.376 120.804 115.700 -0.453 0.000 2.442 587 S HA 0.581 5.051 4.470 0.001 0.000 0.297 587 S C -0.569 173.843 174.600 -0.314 0.000 1.131 587 S CA -0.499 57.487 58.200 -0.355 0.000 1.092 587 S CB 0.718 63.646 63.200 -0.453 0.000 0.998 587 S HN 0.681 nan 8.310 nan 0.000 0.478 588 L N 7.973 129.103 121.223 -0.155 0.000 2.719 588 L HA 0.419 4.760 4.340 0.001 0.000 0.236 588 L C -1.444 175.426 176.870 -0.000 0.000 1.221 588 L CA -2.044 52.687 54.840 -0.182 0.000 1.048 588 L CB 1.231 43.116 42.059 -0.290 0.000 1.364 588 L HN 0.623 nan 8.230 nan 0.000 0.447 589 P HA -0.125 nan 4.420 nan 0.000 0.222 589 P C -0.244 176.931 177.300 -0.207 0.000 1.142 589 P CA 1.040 64.199 63.100 0.099 0.000 0.788 589 P CB 0.202 32.124 31.700 0.370 0.000 0.767 590 D N -2.354 117.874 120.400 -0.287 0.000 2.484 590 D HA 0.114 4.755 4.640 0.001 0.000 0.206 590 D C 0.441 176.762 176.300 0.035 0.000 1.322 590 D CA -0.538 53.225 54.000 -0.395 0.000 0.913 590 D CB 0.049 40.078 40.800 -1.285 0.000 1.559 590 D HN -0.391 nan 8.370 nan 0.000 0.565 591 F N 2.366 122.265 119.950 -0.084 0.000 2.120 591 F HA -0.065 4.462 4.527 0.001 0.000 0.300 591 F C 1.996 177.875 175.800 0.132 0.000 1.095 591 F CA 0.710 58.778 58.000 0.114 0.000 1.249 591 F CB -0.940 38.134 39.000 0.123 0.000 0.995 591 F HN 0.489 nan 8.300 nan 0.000 0.480 592 F N 1.298 121.341 119.950 0.154 0.000 2.011 592 F HA -0.293 4.235 4.527 0.001 0.000 0.296 592 F C 2.556 178.402 175.800 0.077 0.000 1.144 592 F CA 2.575 60.624 58.000 0.083 0.000 1.185 592 F CB -1.103 37.908 39.000 0.018 0.000 0.961 592 F HN -0.100 nan 8.300 nan 0.000 0.485 593 T N 0.868 115.356 114.554 -0.110 0.000 2.699 593 T HA -0.274 4.077 4.350 0.001 0.000 0.268 593 T C 1.705 176.371 174.700 -0.057 0.000 1.036 593 T CA 1.753 63.806 62.100 -0.078 0.000 1.147 593 T CB -0.865 68.074 68.868 0.118 0.000 0.862 593 T HN 0.367 nan 8.240 nan 0.000 0.446 594 F N 2.302 122.197 119.950 -0.093 0.000 2.113 594 F HA -0.053 4.475 4.527 0.001 0.000 0.297 594 F C 1.766 177.545 175.800 -0.035 0.000 1.103 594 F CA 1.145 59.124 58.000 -0.035 0.000 1.248 594 F CB -0.404 38.551 39.000 -0.075 0.000 0.999 594 F HN 0.028 nan 8.300 nan 0.000 0.475 595 D N 0.199 120.454 120.400 -0.241 0.000 2.264 595 D HA -0.111 4.530 4.640 0.001 0.000 0.208 595 D C 1.991 178.118 176.300 -0.289 0.000 0.966 595 D CA 0.923 54.764 54.000 -0.265 0.000 0.864 595 D CB -0.261 40.489 40.800 -0.082 0.000 0.933 595 D HN 0.349 nan 8.370 nan 0.000 0.499 596 K N 0.163 120.361 120.400 -0.336 0.000 2.362 596 K HA -0.038 4.282 4.320 0.001 0.000 0.200 596 K C 0.705 177.181 176.600 -0.208 0.000 1.046 596 K CA 0.312 56.430 56.287 -0.282 0.000 0.952 596 K CB 0.175 32.482 32.500 -0.322 0.000 0.753 596 K HN 0.139 nan 8.250 nan 0.000 0.466 597 Q N 1.017 120.669 119.800 -0.247 0.000 2.492 597 Q HA 0.120 4.460 4.340 0.001 0.000 0.238 597 Q C -2.240 173.686 176.000 -0.123 0.000 1.045 597 Q CA -2.023 53.669 55.803 -0.185 0.000 0.934 597 Q CB -0.176 28.474 28.738 -0.147 0.000 1.276 597 Q HN 0.086 nan 8.270 nan 0.000 0.521 598 P HA -0.014 nan 4.420 nan 0.000 0.275 598 P C 0.697 177.999 177.300 0.003 0.000 1.227 598 P CA -0.324 62.764 63.100 -0.018 0.000 0.781 598 P CB 0.775 32.477 31.700 0.005 0.000 0.906 599 L N 3.709 124.915 121.223 -0.028 0.000 2.051 599 L HA -0.240 4.100 4.340 0.001 0.000 0.214 599 L C 2.408 179.270 176.870 -0.013 0.000 1.076 599 L CA 2.207 57.025 54.840 -0.036 0.000 0.758 599 L CB -1.244 40.795 42.059 -0.033 0.000 0.890 599 L HN 0.576 nan 8.230 nan 0.000 0.433 600 E N -1.609 118.599 120.200 0.013 0.000 2.118 600 E HA -0.334 4.016 4.350 0.001 0.000 0.195 600 E C 2.280 178.901 176.600 0.034 0.000 0.992 600 E CA 1.867 58.279 56.400 0.021 0.000 0.804 600 E CB -1.004 28.716 29.700 0.033 0.000 0.741 600 E HN 0.665 nan 8.360 nan 0.000 0.458 601 Y N 2.039 122.327 120.300 -0.021 0.000 2.163 601 Y HA -0.079 4.472 4.550 0.001 0.000 0.288 601 Y C 2.457 178.369 175.900 0.020 0.000 1.136 601 Y CA 1.913 60.014 58.100 0.001 0.000 1.147 601 Y CB -0.115 38.336 38.460 -0.015 0.000 0.987 601 Y HN -0.115 nan 8.280 nan 0.000 0.509 602 R N 0.120 120.551 120.500 -0.116 0.000 2.070 602 R HA -0.167 4.173 4.340 0.001 0.000 0.233 602 R C 2.318 178.580 176.300 -0.064 0.000 1.137 602 R CA 1.888 57.904 56.100 -0.140 0.000 0.945 602 R CB -0.886 29.282 30.300 -0.219 0.000 0.845 602 R HN 0.388 nan 8.270 nan 0.000 0.430 603 L N 1.359 122.549 121.223 -0.054 0.000 2.261 603 L HA -0.156 4.185 4.340 0.001 0.000 0.216 603 L C 2.549 179.381 176.870 -0.063 0.000 1.114 603 L CA 1.245 56.065 54.840 -0.033 0.000 0.777 603 L CB -0.382 41.664 42.059 -0.022 0.000 0.910 603 L HN 0.321 nan 8.230 nan 0.000 0.440 604 S N -1.697 113.929 115.700 -0.124 0.000 2.461 604 S HA -0.053 4.418 4.470 0.001 0.000 0.228 604 S C 1.720 176.236 174.600 -0.140 0.000 1.005 604 S CA 0.618 58.747 58.200 -0.119 0.000 0.942 604 S CB -0.206 62.918 63.200 -0.126 0.000 0.776 604 S HN 0.175 nan 8.310 nan 0.000 0.514 605 V N 1.339 121.135 119.914 -0.197 0.000 2.331 605 V HA 0.245 4.365 4.120 0.001 0.000 0.242 605 V C 1.126 177.179 176.094 -0.068 0.000 1.034 605 V CA 0.876 63.092 62.300 -0.140 0.000 1.027 605 V CB -0.565 31.174 31.823 -0.139 0.000 0.667 605 V HN 0.459 nan 8.190 nan 0.000 0.457 606 L N 3.638 124.848 121.223 -0.023 0.000 2.360 606 L HA 0.383 4.723 4.340 0.001 0.000 0.265 606 L C -2.402 174.482 176.870 0.023 0.000 1.066 606 L CA -1.332 53.515 54.840 0.011 0.000 0.929 606 L CB 1.099 43.189 42.059 0.052 0.000 1.306 606 L HN 0.222 nan 8.230 nan 0.000 0.434 607 P HA 0.262 nan 4.420 nan 0.000 0.281 607 P C -0.807 176.511 177.300 0.030 0.000 1.281 607 P CA -0.578 62.529 63.100 0.012 0.000 0.811 607 P CB 1.593 33.290 31.700 -0.005 0.000 1.154 608 D N -0.266 120.141 120.400 0.013 0.000 2.371 608 D HA 0.081 4.721 4.640 0.001 0.000 0.242 608 D C 0.364 176.654 176.300 -0.017 0.000 1.218 608 D CA 0.429 54.432 54.000 0.006 0.000 0.945 608 D CB -0.304 40.493 40.800 -0.004 0.000 1.137 608 D HN 0.315 nan 8.370 nan 0.000 0.464 609 N N -0.503 118.172 118.700 -0.042 0.000 2.707 609 N HA -0.164 4.576 4.740 0.001 0.000 0.253 609 N C -1.333 174.124 175.510 -0.087 0.000 0.998 609 N CA 0.490 53.495 53.050 -0.075 0.000 0.751 609 N CB -1.173 37.283 38.487 -0.052 0.000 0.920 609 N HN 0.087 nan 8.380 nan 0.000 0.539 610 V N -0.639 119.207 119.914 -0.113 0.000 2.777 610 V HA 0.423 4.544 4.120 0.001 0.000 0.306 610 V C -2.236 173.734 176.094 -0.207 0.000 1.112 610 V CA -1.529 60.708 62.300 -0.104 0.000 0.917 610 V CB 2.894 34.694 31.823 -0.038 0.000 1.018 610 V HN -0.067 nan 8.190 nan 0.000 0.426 611 P HA 0.380 nan 4.420 nan 0.000 0.271 611 P C -0.888 176.418 177.300 0.011 0.000 1.216 611 P CA 0.170 63.097 63.100 -0.287 0.000 0.771 611 P CB 1.047 32.713 31.700 -0.056 0.000 0.864 612 I N 3.637 124.366 120.570 0.265 0.000 2.436 612 I HA 0.461 4.632 4.170 0.001 0.000 0.289 612 I C 0.245 176.488 176.117 0.211 0.000 1.010 612 I CA -0.641 60.805 61.300 0.243 0.000 1.098 612 I CB 1.876 40.039 38.000 0.271 0.000 1.266 612 I HN 0.229 nan 8.210 nan 0.000 0.434 613 M N 5.935 125.597 119.600 0.104 0.000 2.326 613 M HA 0.493 4.974 4.480 0.001 0.000 0.306 613 M C -0.936 175.354 176.300 -0.017 0.000 1.054 613 M CA -0.362 54.978 55.300 0.066 0.000 0.922 613 M CB 2.064 34.694 32.600 0.051 0.000 1.632 613 M HN 0.662 nan 8.290 nan 0.000 0.436 614 S N 3.379 119.017 115.700 -0.102 0.000 2.565 614 S HA 0.787 5.257 4.470 0.001 0.000 0.290 614 S C -0.755 173.675 174.600 -0.283 0.000 1.150 614 S CA -0.790 57.201 58.200 -0.347 0.000 1.058 614 S CB 1.670 64.400 63.200 -0.783 0.000 1.032 614 S HN 0.540 nan 8.310 nan 0.000 0.510 615 V N 1.715 121.464 119.914 -0.275 0.000 2.376 615 V HA 0.633 4.754 4.120 0.001 0.000 0.287 615 V C -0.328 175.662 176.094 -0.174 0.000 1.015 615 V CA -0.373 61.911 62.300 -0.027 0.000 0.834 615 V CB 0.774 32.672 31.823 0.126 0.000 1.001 615 V HN 1.044 nan 8.190 nan 0.000 0.428 616 E N 2.741 122.821 120.200 -0.199 0.000 2.307 616 E HA 0.298 4.649 4.350 0.001 0.000 0.280 616 E C 0.070 176.449 176.600 -0.368 0.000 0.900 616 E CA -0.547 55.723 56.400 -0.216 0.000 0.790 616 E CB 2.581 32.262 29.700 -0.032 0.000 1.261 616 E HN 0.580 nan 8.360 nan 0.000 0.405 617 V N 2.309 121.864 119.914 -0.600 0.000 3.593 617 V HA 0.172 4.292 4.120 0.001 0.000 0.275 617 V C 0.293 176.111 176.094 -0.460 0.000 1.237 617 V CA 0.578 62.384 62.300 -0.823 0.000 1.194 617 V CB -1.288 30.040 31.823 -0.825 0.000 0.949 617 V HN 0.405 nan 8.190 nan 0.000 0.467 618 L N -0.117 120.957 121.223 -0.248 0.000 2.242 618 L HA 0.881 5.221 4.340 0.001 0.000 0.261 618 L C 0.809 177.635 176.870 -0.074 0.000 1.052 618 L CA -0.434 54.309 54.840 -0.162 0.000 0.972 618 L CB 0.838 42.844 42.059 -0.090 0.000 1.562 618 L HN 0.047 nan 8.230 nan 0.000 0.509 619 A N -0.468 122.323 122.820 -0.047 0.000 2.524 619 A HA 0.285 4.605 4.320 0.001 0.000 0.250 619 A C 1.116 178.782 177.584 0.137 0.000 1.078 619 A CA 0.452 52.486 52.037 -0.006 0.000 0.761 619 A CB -0.132 18.836 19.000 -0.053 0.000 1.012 619 A HN 0.833 nan 8.150 nan 0.000 0.500 620 T N 0.157 114.798 114.554 0.146 0.000 2.962 620 T HA -0.176 4.174 4.350 0.001 0.000 0.270 620 T C 1.651 176.521 174.700 0.284 0.000 1.088 620 T CA 1.844 64.106 62.100 0.271 0.000 1.127 620 T CB -1.069 67.894 68.868 0.159 0.000 0.883 620 T HN 0.936 nan 8.240 nan 0.000 0.493 621 T N 1.209 115.847 114.554 0.140 0.000 2.737 621 T HA -0.225 4.125 4.350 0.001 0.000 0.269 621 T C 2.265 177.009 174.700 0.073 0.000 1.040 621 T CA 1.477 63.629 62.100 0.087 0.000 1.142 621 T CB -1.751 67.132 68.868 0.024 0.000 0.861 621 T HN 0.813 nan 8.240 nan 0.000 0.456 622 C N -1.628 117.690 119.300 0.029 0.000 2.511 622 C HA 0.299 4.760 4.460 0.001 0.000 0.277 622 C C 2.018 176.959 174.990 -0.083 0.000 1.451 622 C CA -1.403 57.584 59.018 -0.052 0.000 1.735 622 C CB -2.450 25.203 27.740 -0.146 0.000 1.704 622 C HN 0.641 nan 8.230 nan 0.000 0.571 623 W N 1.480 122.862 121.300 0.137 0.000 3.047 623 W HA 0.263 4.923 4.660 0.001 0.000 0.250 623 W C 2.323 178.843 176.519 0.001 0.000 1.314 623 W CA 0.395 57.814 57.345 0.123 0.000 1.540 623 W CB -0.239 29.308 29.460 0.146 0.000 1.127 623 W HN 0.453 nan 8.180 nan 0.000 0.679 624 G N 1.085 109.964 108.800 0.130 0.000 2.509 624 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 624 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 624 G C 1.519 176.363 174.900 -0.094 0.000 1.124 624 G CA 0.800 45.921 45.100 0.036 0.000 0.776 624 G HN 0.372 nan 8.290 nan 0.000 0.547 625 K N -0.927 119.313 120.400 -0.267 0.000 2.487 625 K HA 0.142 4.463 4.320 0.001 0.000 0.192 625 K C 0.700 176.955 176.600 -0.575 0.000 1.027 625 K CA 0.413 56.415 56.287 -0.474 0.000 1.054 625 K CB -0.029 32.067 32.500 -0.673 0.000 0.824 625 K HN 0.372 nan 8.250 nan 0.000 0.510 626 Y N 0.065 120.333 120.300 -0.053 0.000 2.476 626 Y HA 0.401 4.951 4.550 0.001 0.000 0.274 626 Y C 0.901 176.800 175.900 -0.001 0.000 1.120 626 Y CA -0.514 57.567 58.100 -0.032 0.000 1.214 626 Y CB 0.630 39.067 38.460 -0.038 0.000 1.285 626 Y HN 0.153 nan 8.280 nan 0.000 0.520 627 A N -0.760 122.167 122.820 0.179 0.000 2.309 627 A HA 0.620 4.940 4.320 0.001 0.000 0.317 627 A C -0.256 177.277 177.584 -0.084 0.000 1.134 627 A CA -0.275 51.816 52.037 0.089 0.000 0.866 627 A CB 0.627 19.732 19.000 0.176 0.000 1.329 627 A HN 0.317 nan 8.150 nan 0.000 0.477 628 H N -0.931 118.213 119.070 0.123 0.000 2.460 628 H HA 0.231 4.787 4.556 0.001 0.000 0.297 628 H C -0.023 175.428 175.328 0.206 0.000 1.023 628 H CA 0.776 56.919 56.048 0.157 0.000 1.321 628 H CB 0.353 30.185 29.762 0.117 0.000 1.455 628 H HN 0.433 nan 8.280 nan 0.000 0.539 629 Q N 0.266 120.229 119.800 0.272 0.000 2.413 629 Q HA 0.568 4.909 4.340 0.001 0.000 0.276 629 Q C -0.975 175.080 176.000 0.091 0.000 1.099 629 Q CA -0.615 55.276 55.803 0.147 0.000 0.814 629 Q CB 2.973 31.780 28.738 0.115 0.000 1.379 629 Q HN 0.095 nan 8.270 nan 0.000 0.436 630 S N 1.113 116.850 115.700 0.061 0.000 2.547 630 S HA 0.593 5.063 4.470 0.001 0.000 0.281 630 S C -1.341 173.325 174.600 0.109 0.000 1.118 630 S CA -0.610 57.612 58.200 0.037 0.000 0.947 630 S CB 1.271 64.498 63.200 0.046 0.000 1.053 630 S HN 0.462 nan 8.310 nan 0.000 0.482 631 F N 2.546 122.445 119.950 -0.085 0.000 2.411 631 F HA 0.813 5.341 4.527 0.001 0.000 0.352 631 F C 0.349 176.240 175.800 0.152 0.000 1.123 631 F CA -0.663 57.313 58.000 -0.040 0.000 1.044 631 F CB 0.736 39.657 39.000 -0.131 0.000 1.135 631 F HN 0.779 nan 8.300 nan 0.000 0.461 632 G N 5.578 114.518 108.800 0.233 0.000 2.606 632 G HA2 0.507 4.468 3.960 0.001 0.000 0.300 632 G HA3 0.507 4.468 3.960 0.001 0.000 0.300 632 G C -2.007 172.926 174.900 0.054 0.000 1.360 632 G CA -0.827 44.328 45.100 0.093 0.000 0.783 632 G HN 0.491 nan 8.290 nan 0.000 0.484 633 I N 1.193 121.703 120.570 -0.100 0.000 2.382 633 I HA 0.286 4.456 4.170 0.001 0.000 0.285 633 I C -0.754 175.278 176.117 -0.141 0.000 1.007 633 I CA -0.614 60.586 61.300 -0.166 0.000 1.142 633 I CB 1.974 39.698 38.000 -0.460 0.000 1.289 633 I HN 0.317 nan 8.210 nan 0.000 0.453 634 D N 6.980 127.335 120.400 -0.075 0.000 2.738 634 D HA 0.156 4.796 4.640 0.001 0.000 0.246 634 D C 0.213 176.439 176.300 -0.123 0.000 1.270 634 D CA 0.011 53.952 54.000 -0.098 0.000 0.833 634 D CB 0.412 41.188 40.800 -0.041 0.000 1.040 634 D HN 0.584 nan 8.370 nan 0.000 0.487 635 R N -1.832 118.588 120.500 -0.132 0.000 2.817 635 R HA 0.583 4.923 4.340 0.001 0.000 0.268 635 R C -0.842 175.408 176.300 -0.084 0.000 1.027 635 R CA -0.771 55.293 56.100 -0.059 0.000 0.928 635 R CB 0.622 31.003 30.300 0.134 0.000 1.228 635 R HN -0.302 nan 8.270 nan 0.000 0.469 636 F N -0.140 119.854 119.950 0.074 0.000 2.368 636 F HA 0.526 5.053 4.527 0.001 0.000 0.308 636 F C 1.664 177.542 175.800 0.129 0.000 1.198 636 F CA 0.641 58.671 58.000 0.050 0.000 1.130 636 F CB 0.800 39.832 39.000 0.053 0.000 1.300 636 F HN 0.780 nan 8.300 nan 0.000 0.537 637 G N -0.441 108.537 108.800 0.297 0.000 2.514 637 G HA2 0.576 4.536 3.960 0.001 0.000 0.245 637 G HA3 0.576 4.536 3.960 0.001 0.000 0.245 637 G C -1.457 173.658 174.900 0.357 0.000 1.488 637 G CA -0.020 45.257 45.100 0.295 0.000 1.063 637 G HN 0.887 nan 8.290 nan 0.000 0.557 638 A N -1.659 121.322 122.820 0.269 0.000 2.574 638 A HA 0.602 4.923 4.320 0.001 0.000 0.297 638 A C -0.428 177.182 177.584 0.043 0.000 1.062 638 A CA -0.143 51.959 52.037 0.109 0.000 0.686 638 A CB 1.475 20.457 19.000 -0.029 0.000 1.285 638 A HN 1.169 nan 8.150 nan 0.000 0.403 639 S N 1.065 116.760 115.700 -0.008 0.000 2.473 639 S HA 0.607 5.078 4.470 0.001 0.000 0.312 639 S C 0.277 174.857 174.600 -0.034 0.000 1.087 639 S CA 0.419 58.612 58.200 -0.011 0.000 1.077 639 S CB -0.545 62.647 63.200 -0.013 0.000 1.065 639 S HN 1.859 nan 8.310 nan 0.000 0.510 640 G N 3.213 112.002 108.800 -0.019 0.000 2.687 640 G HA2 0.395 4.355 3.960 0.001 0.000 0.291 640 G HA3 0.395 4.355 3.960 0.001 0.000 0.291 640 G C -1.463 173.446 174.900 0.014 0.000 1.420 640 G CA -0.937 44.150 45.100 -0.022 0.000 0.796 640 G HN 0.508 nan 8.290 nan 0.000 0.485 641 K N 0.590 121.004 120.400 0.024 0.000 2.484 641 K HA 0.201 4.522 4.320 0.001 0.000 0.280 641 K C 1.507 178.162 176.600 0.091 0.000 1.013 641 K CA 0.440 56.756 56.287 0.048 0.000 1.029 641 K CB 1.478 34.005 32.500 0.044 0.000 0.902 641 K HN 0.572 nan 8.250 nan 0.000 0.481 642 A N 6.224 129.116 122.820 0.120 0.000 1.927 642 A HA -0.149 4.172 4.320 0.001 0.000 0.220 642 A C -0.568 177.231 177.584 0.360 0.000 1.185 642 A CA 1.433 53.604 52.037 0.224 0.000 0.639 642 A CB -1.127 18.013 19.000 0.234 0.000 0.820 642 A HN 0.568 nan 8.150 nan 0.000 0.451 643 P HA -0.087 nan 4.420 nan 0.000 0.218 643 P C 1.047 178.497 177.300 0.250 0.000 1.149 643 P CA 1.331 64.566 63.100 0.225 0.000 0.817 643 P CB 0.003 31.766 31.700 0.105 0.000 0.785 644 E N -0.951 119.363 120.200 0.189 0.000 2.158 644 E HA -0.063 4.287 4.350 0.001 0.000 0.191 644 E C 1.877 178.602 176.600 0.208 0.000 0.982 644 E CA 0.561 57.056 56.400 0.158 0.000 0.823 644 E CB -0.404 29.345 29.700 0.081 0.000 0.766 644 E HN 0.010 nan 8.360 nan 0.000 0.468 645 V N 0.623 120.670 119.914 0.221 0.000 2.307 645 V HA -0.234 3.887 4.120 0.001 0.000 0.245 645 V C 1.808 178.129 176.094 0.377 0.000 1.045 645 V CA 1.628 64.083 62.300 0.259 0.000 1.024 645 V CB -0.480 31.438 31.823 0.158 0.000 0.651 645 V HN 0.208 nan 8.190 nan 0.000 0.449 646 F N 0.580 120.709 119.950 0.297 0.000 2.095 646 F HA -0.169 4.359 4.527 0.001 0.000 0.298 646 F C 2.442 178.424 175.800 0.302 0.000 1.104 646 F CA 1.790 59.966 58.000 0.293 0.000 1.232 646 F CB -0.489 38.616 39.000 0.175 0.000 0.987 646 F HN 0.017 nan 8.300 nan 0.000 0.475 647 K N -0.631 120.016 120.400 0.412 0.000 2.097 647 K HA -0.211 4.109 4.320 0.001 0.000 0.206 647 K C 2.037 178.769 176.600 0.221 0.000 1.049 647 K CA 1.622 58.072 56.287 0.271 0.000 0.933 647 K CB -0.593 32.025 32.500 0.196 0.000 0.717 647 K HN 0.228 nan 8.250 nan 0.000 0.442 648 F N 0.750 120.734 119.950 0.057 0.000 2.134 648 F HA -0.169 4.358 4.527 0.001 0.000 0.299 648 F C 1.578 177.293 175.800 -0.141 0.000 1.097 648 F CA 1.388 59.320 58.000 -0.113 0.000 1.264 648 F CB -0.248 38.584 39.000 -0.280 0.000 1.001 648 F HN -0.124 nan 8.300 nan 0.000 0.479 649 F N 0.414 120.321 119.950 -0.072 0.000 2.615 649 F HA 0.259 4.787 4.527 0.001 0.000 0.297 649 F C 2.156 177.965 175.800 0.016 0.000 1.124 649 F CA 0.991 58.900 58.000 -0.153 0.000 1.451 649 F CB -0.250 38.766 39.000 0.027 0.000 1.103 649 F HN 0.204 nan 8.300 nan 0.000 0.569 650 G N -0.926 108.014 108.800 0.234 0.000 2.184 650 G HA2 -0.252 3.709 3.960 0.001 0.000 0.206 650 G HA3 -0.252 3.709 3.960 0.001 0.000 0.206 650 G C 0.102 175.128 174.900 0.211 0.000 0.995 650 G CA -0.682 44.528 45.100 0.183 0.000 0.651 650 G HN 0.144 nan 8.290 nan 0.000 0.511 651 F N 2.637 122.744 119.950 0.262 0.000 2.462 651 F HA 0.610 5.137 4.527 0.001 0.000 0.354 651 F C 0.835 176.765 175.800 0.217 0.000 1.192 651 F CA 0.402 58.535 58.000 0.222 0.000 1.173 651 F CB 1.277 40.366 39.000 0.148 0.000 1.402 651 F HN -0.030 nan 8.300 nan 0.000 0.595 652 T N 3.501 118.213 114.554 0.264 0.000 2.896 652 T HA 0.272 4.622 4.350 0.001 0.000 0.297 652 T C -1.903 172.865 174.700 0.112 0.000 1.108 652 T CA -1.497 60.699 62.100 0.160 0.000 1.004 652 T CB 2.255 71.202 68.868 0.131 0.000 1.159 652 T HN 0.030 nan 8.240 nan 0.000 0.499 653 P HA -0.100 nan 4.420 nan 0.000 0.214 653 P C 1.468 178.784 177.300 0.026 0.000 1.162 653 P CA 0.921 64.049 63.100 0.047 0.000 0.879 653 P CB 0.213 31.931 31.700 0.030 0.000 0.786 654 E N -0.417 119.792 120.200 0.015 0.000 2.204 654 E HA -0.098 4.253 4.350 0.001 0.000 0.195 654 E C 2.244 178.823 176.600 -0.036 0.000 0.990 654 E CA 1.672 58.066 56.400 -0.010 0.000 0.821 654 E CB -1.639 28.056 29.700 -0.009 0.000 0.750 654 E HN 0.245 nan 8.360 nan 0.000 0.477 655 G N 1.847 110.634 108.800 -0.022 0.000 2.404 655 G HA2 -0.182 3.779 3.960 0.001 0.000 0.215 655 G HA3 -0.182 3.779 3.960 0.001 0.000 0.215 655 G C 1.841 176.619 174.900 -0.203 0.000 1.174 655 G CA 1.138 46.186 45.100 -0.088 0.000 0.780 655 G HN 0.210 nan 8.290 nan 0.000 0.537 656 V N 1.795 121.674 119.914 -0.058 0.000 2.255 656 V HA -0.180 3.941 4.120 0.001 0.000 0.247 656 V C 3.373 179.395 176.094 -0.121 0.000 1.051 656 V CA 2.156 64.415 62.300 -0.069 0.000 1.018 656 V CB -1.077 30.810 31.823 0.107 0.000 0.641 656 V HN 0.480 nan 8.190 nan 0.000 0.445 657 A N -0.455 122.325 122.820 -0.067 0.000 1.892 657 A HA -0.345 3.976 4.320 0.001 0.000 0.218 657 A C 2.303 179.832 177.584 -0.092 0.000 1.188 657 A CA 2.339 54.339 52.037 -0.061 0.000 0.631 657 A CB -0.699 18.279 19.000 -0.037 0.000 0.822 657 A HN 0.650 nan 8.150 nan 0.000 0.447 658 E N -0.472 119.657 120.200 -0.118 0.000 2.097 658 E HA -0.266 4.085 4.350 0.001 0.000 0.196 658 E C 2.257 178.755 176.600 -0.171 0.000 1.000 658 E CA 1.558 57.878 56.400 -0.133 0.000 0.804 658 E CB -0.097 29.513 29.700 -0.149 0.000 0.740 658 E HN 0.643 nan 8.360 nan 0.000 0.454 659 R N -0.320 120.028 120.500 -0.254 0.000 2.119 659 R HA 0.013 4.354 4.340 0.001 0.000 0.222 659 R C 2.398 178.592 176.300 -0.177 0.000 1.088 659 R CA 0.840 56.767 56.100 -0.289 0.000 0.984 659 R CB -0.161 29.836 30.300 -0.506 0.000 0.884 659 R HN 0.150 nan 8.270 nan 0.000 0.447 660 A N 1.306 124.048 122.820 -0.129 0.000 1.877 660 A HA -0.226 4.095 4.320 0.001 0.000 0.216 660 A C 2.033 179.592 177.584 -0.041 0.000 1.186 660 A CA 1.248 53.249 52.037 -0.060 0.000 0.620 660 A CB -0.392 18.584 19.000 -0.041 0.000 0.822 660 A HN 0.301 nan 8.150 nan 0.000 0.443 661 Q N -0.337 119.431 119.800 -0.054 0.000 2.030 661 Q HA -0.198 4.143 4.340 0.001 0.000 0.204 661 Q C 2.033 178.012 176.000 -0.035 0.000 0.986 661 Q CA 1.527 57.307 55.803 -0.038 0.000 0.843 661 Q CB -0.278 28.432 28.738 -0.047 0.000 0.904 661 Q HN 0.508 nan 8.270 nan 0.000 0.420 662 K N 0.155 120.515 120.400 -0.067 0.000 2.063 662 K HA -0.103 4.218 4.320 0.001 0.000 0.208 662 K C 2.119 178.699 176.600 -0.034 0.000 1.048 662 K CA 1.492 57.738 56.287 -0.068 0.000 0.928 662 K CB -0.640 31.785 32.500 -0.127 0.000 0.713 662 K HN 0.239 nan 8.250 nan 0.000 0.442 663 T N 2.200 116.738 114.554 -0.027 0.000 2.777 663 T HA -0.039 4.312 4.350 0.001 0.000 0.266 663 T C 2.101 176.897 174.700 0.159 0.000 1.040 663 T CA 0.926 63.063 62.100 0.062 0.000 1.141 663 T CB -0.183 68.743 68.868 0.096 0.000 0.868 663 T HN 0.136 nan 8.240 nan 0.000 0.444 664 I N 1.482 122.112 120.570 0.100 0.000 2.163 664 I HA -0.221 3.950 4.170 0.001 0.000 0.243 664 I C 2.964 179.130 176.117 0.082 0.000 1.085 664 I CA 1.288 62.644 61.300 0.093 0.000 1.347 664 I CB -0.551 37.472 38.000 0.040 0.000 1.044 664 I HN 0.202 nan 8.210 nan 0.000 0.408 665 A N 0.685 123.536 122.820 0.053 0.000 1.902 665 A HA -0.263 4.057 4.320 0.001 0.000 0.217 665 A C 2.240 179.847 177.584 0.038 0.000 1.181 665 A CA 1.451 53.508 52.037 0.034 0.000 0.623 665 A CB -1.012 18.000 19.000 0.019 0.000 0.818 665 A HN 0.458 nan 8.150 nan 0.000 0.443 666 F N -0.851 119.016 119.950 -0.138 0.000 2.161 666 F HA -0.185 4.343 4.527 0.001 0.000 0.300 666 F C 1.672 177.320 175.800 -0.254 0.000 1.089 666 F CA 1.589 59.431 58.000 -0.262 0.000 1.282 666 F CB -0.208 38.519 39.000 -0.455 0.000 1.010 666 F HN 0.307 nan 8.300 nan 0.000 0.485 667 Y N -0.191 120.039 120.300 -0.116 0.000 2.444 667 Y HA 0.259 4.810 4.550 0.001 0.000 0.249 667 Y C 0.926 176.738 175.900 -0.146 0.000 1.134 667 Y CA -0.630 57.342 58.100 -0.213 0.000 1.261 667 Y CB -0.554 37.843 38.460 -0.106 0.000 1.143 667 Y HN -0.309 nan 8.280 nan 0.000 0.523 668 K N 0.970 121.392 120.400 0.036 0.000 2.504 668 K HA 0.048 4.369 4.320 0.001 0.000 0.278 668 K C 1.122 177.710 176.600 -0.020 0.000 1.025 668 K CA 1.433 57.722 56.287 0.005 0.000 1.093 668 K CB -0.118 32.380 32.500 -0.003 0.000 0.873 668 K HN 0.635 nan 8.250 nan 0.000 0.483 669 G N 3.387 112.174 108.800 -0.021 0.000 2.195 669 G HA2 -0.189 3.772 3.960 0.001 0.000 0.246 669 G HA3 -0.189 3.772 3.960 0.001 0.000 0.246 669 G C -0.081 174.799 174.900 -0.034 0.000 0.984 669 G CA 0.079 45.161 45.100 -0.029 0.000 0.633 669 G HN 0.646 nan 8.290 nan 0.000 0.525 670 D N 0.460 120.839 120.400 -0.034 0.000 2.332 670 D HA 0.558 5.199 4.640 0.001 0.000 0.252 670 D C 0.553 176.813 176.300 -0.067 0.000 1.050 670 D CA -0.060 53.914 54.000 -0.044 0.000 0.970 670 D CB 1.377 42.161 40.800 -0.027 0.000 1.141 670 D HN 0.601 nan 8.370 nan 0.000 0.485 671 K N 0.026 120.384 120.400 -0.069 0.000 2.123 671 K HA 0.645 4.966 4.320 0.001 0.000 0.259 671 K C -1.247 175.283 176.600 -0.117 0.000 0.960 671 K CA -0.676 55.562 56.287 -0.080 0.000 0.872 671 K CB 0.983 33.453 32.500 -0.050 0.000 1.079 671 K HN 0.264 nan 8.250 nan 0.000 0.440 672 L N 3.616 124.752 121.223 -0.145 0.000 2.381 672 L HA 0.432 4.773 4.340 0.001 0.000 0.274 672 L C -0.644 176.201 176.870 -0.041 0.000 0.988 672 L CA -1.194 53.541 54.840 -0.175 0.000 0.824 672 L CB 1.533 43.326 42.059 -0.444 0.000 1.263 672 L HN 0.604 nan 8.230 nan 0.000 0.410 673 I N 1.276 121.862 120.570 0.027 0.000 2.519 673 I HA 0.136 4.306 4.170 0.001 0.000 0.287 673 I C 0.981 177.153 176.117 0.091 0.000 1.047 673 I CA 0.203 61.525 61.300 0.036 0.000 1.381 673 I CB 1.435 39.444 38.000 0.015 0.000 1.417 673 I HN 0.658 nan 8.210 nan 0.000 0.540 674 S N 6.637 122.370 115.700 0.055 0.000 2.568 674 S HA 0.159 4.629 4.470 0.001 0.000 0.282 674 S C -1.499 173.087 174.600 -0.023 0.000 1.338 674 S CA -0.707 57.522 58.200 0.049 0.000 1.045 674 S CB 0.661 63.882 63.200 0.034 0.000 0.873 674 S HN 0.419 nan 8.310 nan 0.000 0.516 675 P HA 0.036 nan 4.420 nan 0.000 0.223 675 P C 1.118 178.374 177.300 -0.073 0.000 1.151 675 P CA 0.786 63.813 63.100 -0.122 0.000 0.787 675 P CB 0.001 31.596 31.700 -0.175 0.000 0.788 676 L N -1.167 120.046 121.223 -0.017 0.000 2.131 676 L HA -0.100 4.240 4.340 0.001 0.000 0.210 676 L C 1.082 177.922 176.870 -0.050 0.000 1.092 676 L CA 1.008 55.843 54.840 -0.009 0.000 0.759 676 L CB -0.924 41.159 42.059 0.040 0.000 0.903 676 L HN -0.045 nan 8.230 nan 0.000 0.435 677 K N 2.445 122.816 120.400 -0.049 0.000 2.416 677 K HA 0.111 4.432 4.320 0.001 0.000 0.283 677 K C -0.270 176.268 176.600 -0.103 0.000 1.037 677 K CA 0.301 56.550 56.287 -0.063 0.000 0.995 677 K CB 0.475 32.949 32.500 -0.044 0.000 0.938 677 K HN 0.209 nan 8.250 nan 0.000 0.475 678 K N 0.181 120.499 120.400 -0.136 0.000 2.443 678 K HA 0.507 4.827 4.320 0.001 0.000 0.251 678 K C 0.068 176.524 176.600 -0.240 0.000 0.972 678 K CA -0.957 55.191 56.287 -0.231 0.000 0.833 678 K CB 1.761 34.083 32.500 -0.298 0.000 1.317 678 K HN 0.341 nan 8.250 nan 0.000 0.441 679 A N 1.022 123.632 122.820 -0.351 0.000 2.072 679 A HA 0.235 4.556 4.320 0.001 0.000 0.216 679 A C 0.083 177.634 177.584 -0.055 0.000 1.156 679 A CA 0.641 52.572 52.037 -0.177 0.000 0.701 679 A CB -0.622 18.348 19.000 -0.051 0.000 0.816 679 A HN 0.648 nan 8.150 nan 0.000 0.458 680 F N 0.000 119.948 119.950 -0.004 0.000 2.286 680 F HA 0.000 4.527 4.527 0.001 0.000 0.279 680 F CA 0.000 57.998 58.000 -0.003 0.000 1.383 680 F CB 0.000 38.999 39.000 -0.002 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574