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 1trk_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 0.000 175.698 176.000 -0.504 0.000 1.003 3 Q CA 0.000 55.532 55.803 -0.451 0.000 1.022 3 Q CB 0.000 28.618 28.738 -0.200 0.000 1.108 4 F N 1.992 121.968 119.950 0.044 0.000 2.384 4 F HA 0.648 5.176 4.527 0.001 0.000 0.338 4 F C 1.427 177.235 175.800 0.013 0.000 1.103 4 F CA 0.201 58.230 58.000 0.047 0.000 1.157 4 F CB 1.554 40.588 39.000 0.057 0.000 1.167 4 F HN 0.567 nan 8.300 nan 0.000 0.529 5 T N -2.392 112.254 114.554 0.153 0.000 2.762 5 T HA 0.325 4.676 4.350 0.001 0.000 0.272 5 T C 0.459 175.168 174.700 0.015 0.000 0.982 5 T CA -0.622 61.511 62.100 0.055 0.000 1.013 5 T CB 0.943 69.815 68.868 0.008 0.000 1.309 5 T HN 0.360 nan 8.240 nan 0.000 0.572 6 D N -0.223 120.165 120.400 -0.019 0.000 2.218 6 D HA -0.019 4.622 4.640 0.001 0.000 0.204 6 D C 1.694 177.934 176.300 -0.100 0.000 0.976 6 D CA 0.614 54.587 54.000 -0.045 0.000 0.853 6 D CB -0.328 40.451 40.800 -0.034 0.000 0.939 6 D HN 0.419 nan 8.370 nan 0.000 0.481 7 I N 0.841 121.321 120.570 -0.150 0.000 2.454 7 I HA -0.214 3.957 4.170 0.001 0.000 0.254 7 I C 0.848 176.752 176.117 -0.355 0.000 1.156 7 I CA 1.478 62.610 61.300 -0.279 0.000 1.433 7 I CB -0.164 37.590 38.000 -0.409 0.000 1.082 7 I HN -0.095 nan 8.210 nan 0.000 0.432 8 D N 0.011 120.272 120.400 -0.231 0.000 2.149 8 D HA -0.152 4.489 4.640 0.001 0.000 0.201 8 D C 2.127 178.225 176.300 -0.336 0.000 0.972 8 D CA 1.094 54.942 54.000 -0.254 0.000 0.835 8 D CB -0.090 40.789 40.800 0.131 0.000 0.966 8 D HN 0.293 nan 8.370 nan 0.000 0.476 9 K N -0.026 120.261 120.400 -0.187 0.000 2.057 9 K HA -0.080 4.241 4.320 0.001 0.000 0.206 9 K C 1.891 178.389 176.600 -0.171 0.000 1.050 9 K CA 0.459 56.647 56.287 -0.166 0.000 0.935 9 K CB -0.132 32.320 32.500 -0.079 0.000 0.715 9 K HN 0.052 nan 8.250 nan 0.000 0.439 10 L N 1.147 122.284 121.223 -0.144 0.000 2.017 10 L HA -0.125 4.216 4.340 0.001 0.000 0.208 10 L C 2.181 178.972 176.870 -0.132 0.000 1.073 10 L CA 1.798 56.587 54.840 -0.085 0.000 0.745 10 L CB -0.759 41.249 42.059 -0.085 0.000 0.894 10 L HN 0.133 nan 8.230 nan 0.000 0.432 11 A N -0.919 121.748 122.820 -0.255 0.000 1.884 11 A HA -0.234 4.087 4.320 0.001 0.000 0.219 11 A C 2.273 179.711 177.584 -0.243 0.000 1.197 11 A CA 2.543 54.416 52.037 -0.274 0.000 0.637 11 A CB -1.317 17.375 19.000 -0.513 0.000 0.827 11 A HN 0.325 nan 8.150 nan 0.000 0.450 12 V N 0.001 119.706 119.914 -0.347 0.000 2.407 12 V HA -0.227 3.894 4.120 0.001 0.000 0.248 12 V C 2.750 178.642 176.094 -0.335 0.000 1.055 12 V CA 2.327 64.453 62.300 -0.289 0.000 1.049 12 V CB -0.844 30.802 31.823 -0.295 0.000 0.662 12 V HN 0.585 nan 8.190 nan 0.000 0.455 13 S N -0.301 115.177 115.700 -0.369 0.000 2.383 13 S HA -0.178 4.293 4.470 0.001 0.000 0.227 13 S C 2.050 176.345 174.600 -0.509 0.000 1.026 13 S CA 1.807 59.673 58.200 -0.557 0.000 0.981 13 S CB -0.388 62.579 63.200 -0.388 0.000 0.818 13 S HN 0.679 nan 8.310 nan 0.000 0.472 14 T N 2.618 117.024 114.554 -0.248 0.000 2.857 14 T HA 0.120 4.471 4.350 0.001 0.000 0.266 14 T C 1.725 176.314 174.700 -0.185 0.000 1.048 14 T CA 0.788 62.788 62.100 -0.167 0.000 1.139 14 T CB -0.335 68.556 68.868 0.037 0.000 0.874 14 T HN 0.322 nan 8.240 nan 0.000 0.455 15 I N 0.833 121.305 120.570 -0.164 0.000 2.142 15 I HA -0.174 3.997 4.170 0.001 0.000 0.240 15 I C 2.847 178.851 176.117 -0.189 0.000 1.078 15 I CA 1.285 62.496 61.300 -0.149 0.000 1.343 15 I CB -0.388 37.532 38.000 -0.133 0.000 1.046 15 I HN 0.103 nan 8.210 nan 0.000 0.405 16 R N 0.755 121.110 120.500 -0.241 0.000 2.103 16 R HA -0.162 4.179 4.340 0.001 0.000 0.242 16 R C 2.281 178.461 176.300 -0.199 0.000 1.142 16 R CA 1.590 57.565 56.100 -0.208 0.000 0.960 16 R CB -0.499 29.652 30.300 -0.249 0.000 0.858 16 R HN 0.414 nan 8.270 nan 0.000 0.439 17 I N 0.342 120.733 120.570 -0.299 0.000 2.406 17 I HA -0.212 3.959 4.170 0.001 0.000 0.249 17 I C 2.275 178.228 176.117 -0.274 0.000 1.122 17 I CA 0.432 61.553 61.300 -0.299 0.000 1.431 17 I CB -0.118 37.564 38.000 -0.530 0.000 1.087 17 I HN 0.088 nan 8.210 nan 0.000 0.424 18 L N 1.215 122.296 121.223 -0.237 0.000 2.093 18 L HA -0.075 4.266 4.340 0.001 0.000 0.208 18 L C 2.535 179.279 176.870 -0.210 0.000 1.085 18 L CA 1.911 56.627 54.840 -0.207 0.000 0.755 18 L CB -0.744 41.271 42.059 -0.073 0.000 0.904 18 L HN 0.168 nan 8.230 nan 0.000 0.435 19 A N -1.290 121.426 122.820 -0.174 0.000 1.902 19 A HA -0.137 4.184 4.320 0.001 0.000 0.217 19 A C 2.268 179.752 177.584 -0.167 0.000 1.181 19 A CA 1.922 53.859 52.037 -0.167 0.000 0.623 19 A CB -1.006 17.911 19.000 -0.139 0.000 0.818 19 A HN 0.270 nan 8.150 nan 0.000 0.443 20 V N 0.564 120.386 119.914 -0.153 0.000 2.358 20 V HA -0.223 3.898 4.120 0.001 0.000 0.246 20 V C 2.168 178.164 176.094 -0.163 0.000 1.047 20 V CA 2.267 64.494 62.300 -0.120 0.000 1.035 20 V CB -0.753 31.012 31.823 -0.097 0.000 0.658 20 V HN 0.495 nan 8.190 nan 0.000 0.452 21 D N -0.132 120.090 120.400 -0.298 0.000 2.117 21 D HA -0.133 4.508 4.640 0.001 0.000 0.197 21 D C 2.282 178.404 176.300 -0.296 0.000 0.987 21 D CA 1.812 55.529 54.000 -0.473 0.000 0.829 21 D CB -0.418 39.741 40.800 -1.068 0.000 0.961 21 D HN 0.392 nan 8.370 nan 0.000 0.460 22 T N 0.765 115.206 114.554 -0.189 0.000 2.635 22 T HA -0.132 4.219 4.350 0.001 0.000 0.267 22 T C 2.254 177.014 174.700 0.099 0.000 1.040 22 T CA 1.135 63.283 62.100 0.080 0.000 1.156 22 T CB -0.432 68.351 68.868 -0.141 0.000 0.863 22 T HN -0.021 nan 8.240 nan 0.000 0.430 23 V N 1.284 121.191 119.914 -0.011 0.000 2.270 23 V HA -0.158 3.963 4.120 0.001 0.000 0.245 23 V C 2.736 178.918 176.094 0.148 0.000 1.043 23 V CA 1.914 64.299 62.300 0.140 0.000 1.014 23 V CB -0.878 30.979 31.823 0.055 0.000 0.645 23 V HN 0.430 nan 8.190 nan 0.000 0.447 24 S N -0.704 115.037 115.700 0.067 0.000 2.383 24 S HA -0.272 4.199 4.470 0.001 0.000 0.229 24 S C 2.017 176.683 174.600 0.110 0.000 1.030 24 S CA 1.866 60.104 58.200 0.062 0.000 1.002 24 S CB -0.325 62.883 63.200 0.013 0.000 0.829 24 S HN 0.558 nan 8.310 nan 0.000 0.467 25 K N 1.141 121.648 120.400 0.178 0.000 2.097 25 K HA 0.028 4.349 4.320 0.001 0.000 0.205 25 K C 2.124 178.830 176.600 0.176 0.000 1.050 25 K CA 0.994 57.408 56.287 0.213 0.000 0.938 25 K CB -0.259 32.450 32.500 0.348 0.000 0.718 25 K HN 0.319 nan 8.250 nan 0.000 0.442 26 A N 1.311 124.264 122.820 0.221 0.000 2.067 26 A HA -0.162 4.159 4.320 0.001 0.000 0.219 26 A C 0.782 178.422 177.584 0.094 0.000 1.158 26 A CA 1.087 53.223 52.037 0.165 0.000 0.661 26 A CB -0.584 18.556 19.000 0.234 0.000 0.801 26 A HN 0.721 nan 8.150 nan 0.000 0.452 27 N N -0.825 117.934 118.700 0.097 0.000 2.727 27 N HA -0.192 4.549 4.740 0.001 0.000 0.249 27 N C -0.384 175.146 175.510 0.033 0.000 1.048 27 N CA 0.791 53.875 53.050 0.056 0.000 0.714 27 N CB -1.018 37.494 38.487 0.041 0.000 0.959 27 N HN 0.632 nan 8.380 nan 0.000 0.544 28 S N -0.907 114.823 115.700 0.050 0.000 2.578 28 S HA 0.662 5.133 4.470 0.001 0.000 0.285 28 S C -0.402 174.234 174.600 0.061 0.000 1.126 28 S CA 0.589 58.792 58.200 0.006 0.000 0.878 28 S CB 1.510 64.691 63.200 -0.031 0.000 1.091 28 S HN 1.119 nan 8.310 nan 0.000 0.450 29 G N 2.811 111.592 108.800 -0.031 0.000 2.343 29 G HA2 0.263 4.224 3.960 0.001 0.000 0.465 29 G HA3 0.263 4.224 3.960 0.001 0.000 0.465 29 G C -2.090 172.740 174.900 -0.117 0.000 1.282 29 G CA -0.818 44.329 45.100 0.078 0.000 0.996 29 G HN 1.066 nan 8.290 nan 0.000 0.521 30 H N 1.106 120.229 119.070 0.088 0.000 2.685 30 H HA 0.527 5.083 4.556 0.001 0.000 0.307 30 H C -1.525 173.806 175.328 0.005 0.000 1.017 30 H CA -1.358 54.686 56.048 -0.007 0.000 1.237 30 H CB 2.146 31.892 29.762 -0.026 0.000 1.409 30 H HN 0.361 nan 8.280 nan 0.000 0.488 31 P HA -0.004 nan 4.420 nan 0.000 0.228 31 P C 1.547 178.885 177.300 0.063 0.000 1.166 31 P CA 0.698 63.827 63.100 0.049 0.000 0.812 31 P CB 0.495 32.213 31.700 0.029 0.000 0.857 32 G N 1.439 110.291 108.800 0.087 0.000 2.545 32 G HA2 -0.277 3.683 3.960 0.001 0.000 0.217 32 G HA3 -0.277 3.683 3.960 0.001 0.000 0.217 32 G C 1.816 176.786 174.900 0.116 0.000 1.218 32 G CA 1.415 46.583 45.100 0.113 0.000 0.787 32 G HN 0.346 nan 8.290 nan 0.000 0.571 33 A N 1.306 124.208 122.820 0.137 0.000 1.968 33 A HA 0.140 4.461 4.320 0.001 0.000 0.217 33 A C 0.888 178.506 177.584 0.057 0.000 1.169 33 A CA 1.770 53.873 52.037 0.109 0.000 0.638 33 A CB -0.936 18.148 19.000 0.140 0.000 0.812 33 A HN 0.420 nan 8.150 nan 0.000 0.446 34 P HA -0.193 nan 4.420 nan 0.000 0.215 34 P C 1.595 178.893 177.300 -0.002 0.000 1.157 34 P CA 1.027 64.127 63.100 -0.001 0.000 0.874 34 P CB -0.250 31.426 31.700 -0.039 0.000 0.790 35 L N -0.725 120.511 121.223 0.021 0.000 2.012 35 L HA -0.129 4.212 4.340 0.001 0.000 0.210 35 L C 2.880 179.783 176.870 0.055 0.000 1.073 35 L CA 2.076 56.945 54.840 0.048 0.000 0.748 35 L CB -1.659 40.459 42.059 0.098 0.000 0.891 35 L HN 0.083 nan 8.230 nan 0.000 0.431 36 G N -0.631 108.202 108.800 0.054 0.000 2.408 36 G HA2 -0.188 3.773 3.960 0.001 0.000 0.217 36 G HA3 -0.188 3.773 3.960 0.001 0.000 0.217 36 G C 1.526 176.391 174.900 -0.059 0.000 1.150 36 G CA 0.416 45.523 45.100 0.012 0.000 0.776 36 G HN 0.251 nan 8.290 nan 0.000 0.542 37 M N 0.687 120.261 119.600 -0.043 0.000 2.502 37 M HA 0.285 4.766 4.480 0.001 0.000 0.243 37 M C 2.768 179.065 176.300 -0.005 0.000 1.130 37 M CA 0.389 55.646 55.300 -0.071 0.000 1.055 37 M CB 0.302 32.862 32.600 -0.066 0.000 1.457 37 M HN 0.269 nan 8.290 nan 0.000 0.488 38 A N 1.951 124.753 122.820 -0.029 0.000 1.927 38 A HA -0.133 4.188 4.320 0.001 0.000 0.220 38 A C -0.403 177.149 177.584 -0.054 0.000 1.185 38 A CA 1.720 53.725 52.037 -0.054 0.000 0.639 38 A CB -1.882 17.054 19.000 -0.107 0.000 0.820 38 A HN 0.288 nan 8.150 nan 0.000 0.451 39 P HA -0.184 nan 4.420 nan 0.000 0.215 39 P C 1.752 179.024 177.300 -0.046 0.000 1.157 39 P CA 2.189 65.225 63.100 -0.107 0.000 0.874 39 P CB -0.154 31.442 31.700 -0.173 0.000 0.790 40 A N -0.513 122.291 122.820 -0.026 0.000 1.969 40 A HA -0.025 4.296 4.320 0.001 0.000 0.218 40 A C 2.288 180.024 177.584 0.254 0.000 1.169 40 A CA 1.825 53.895 52.037 0.054 0.000 0.635 40 A CB -1.509 17.457 19.000 -0.056 0.000 0.810 40 A HN 0.188 nan 8.150 nan 0.000 0.445 41 A N -0.784 122.207 122.820 0.285 0.000 1.898 41 A HA -0.140 4.181 4.320 0.001 0.000 0.216 41 A C 2.007 179.574 177.584 -0.027 0.000 1.181 41 A CA 2.043 54.148 52.037 0.113 0.000 0.620 41 A CB -0.887 18.053 19.000 -0.100 0.000 0.819 41 A HN 0.713 nan 8.150 nan 0.000 0.442 42 H N 0.081 119.116 119.070 -0.059 0.000 2.265 42 H HA -0.130 4.426 4.556 0.001 0.000 0.295 42 H C 1.896 177.267 175.328 0.071 0.000 1.084 42 H CA 2.400 58.461 56.048 0.021 0.000 1.261 42 H CB -0.403 29.353 29.762 -0.010 0.000 1.360 42 H HN 0.115 nan 8.280 nan 0.000 0.487 43 V N 0.405 120.261 119.914 -0.096 0.000 2.343 43 V HA -0.225 3.896 4.120 0.001 0.000 0.247 43 V C 2.673 178.750 176.094 -0.029 0.000 1.051 43 V CA 1.699 63.938 62.300 -0.102 0.000 1.036 43 V CB -0.868 30.899 31.823 -0.093 0.000 0.654 43 V HN 0.378 nan 8.190 nan 0.000 0.451 44 L N -0.776 120.451 121.223 0.008 0.000 1.994 44 L HA -0.114 4.227 4.340 0.001 0.000 0.208 44 L C 2.121 178.920 176.870 -0.119 0.000 1.071 44 L CA 2.099 56.891 54.840 -0.079 0.000 0.745 44 L CB -0.705 41.347 42.059 -0.011 0.000 0.892 44 L HN 0.363 nan 8.230 nan 0.000 0.431 45 W N -0.043 121.065 121.300 -0.320 0.000 2.374 45 W HA -0.108 4.552 4.660 0.001 0.000 0.288 45 W C 2.832 179.238 176.519 -0.188 0.000 1.218 45 W CA 1.495 58.660 57.345 -0.299 0.000 1.245 45 W CB -1.029 28.223 29.460 -0.347 0.000 1.126 45 W HN 0.133 nan 8.180 nan 0.000 0.545 46 S N -0.759 114.956 115.700 0.025 0.000 2.447 46 S HA -0.185 4.286 4.470 0.001 0.000 0.233 46 S C 1.749 176.359 174.600 0.017 0.000 1.006 46 S CA 1.330 59.542 58.200 0.020 0.000 0.957 46 S CB -0.244 62.928 63.200 -0.047 0.000 0.773 46 S HN 0.309 nan 8.310 nan 0.000 0.507 47 Q N 0.384 120.174 119.800 -0.017 0.000 2.319 47 Q HA 0.259 4.600 4.340 0.001 0.000 0.209 47 Q C 0.075 176.049 176.000 -0.043 0.000 0.884 47 Q CA 0.003 55.794 55.803 -0.020 0.000 0.938 47 Q CB 0.071 28.797 28.738 -0.020 0.000 1.098 47 Q HN 0.466 nan 8.270 nan 0.000 0.517 48 M N 1.556 121.097 119.600 -0.097 0.000 2.235 48 M HA 0.229 4.710 4.480 0.001 0.000 0.351 48 M C 0.291 176.595 176.300 0.006 0.000 1.178 48 M CA -0.087 55.170 55.300 -0.071 0.000 1.143 48 M CB 1.010 33.474 32.600 -0.227 0.000 1.530 48 M HN -0.137 nan 8.290 nan 0.000 0.461 49 R N 5.232 125.773 120.500 0.068 0.000 2.235 49 R HA 0.488 4.829 4.340 0.001 0.000 0.338 49 R C -1.494 174.870 176.300 0.108 0.000 1.087 49 R CA -0.043 56.128 56.100 0.120 0.000 0.948 49 R CB 0.218 30.610 30.300 0.154 0.000 1.099 49 R HN 0.749 nan 8.270 nan 0.000 0.483 50 M N 1.892 121.591 119.600 0.166 0.000 2.421 50 M HA 0.376 4.857 4.480 0.001 0.000 0.287 50 M C -1.273 175.151 176.300 0.207 0.000 1.183 50 M CA -1.138 54.265 55.300 0.172 0.000 0.916 50 M CB 2.012 34.630 32.600 0.030 0.000 1.701 50 M HN 0.144 nan 8.290 nan 0.000 0.470 51 N N 2.725 121.569 118.700 0.241 0.000 2.485 51 N HA 0.456 5.197 4.740 0.001 0.000 0.243 51 N C -2.273 173.147 175.510 -0.151 0.000 0.987 51 N CA -2.125 50.936 53.050 0.018 0.000 0.940 51 N CB 1.373 39.840 38.487 -0.034 0.000 1.122 51 N HN 0.400 nan 8.380 nan 0.000 0.509 52 P HA -0.091 nan 4.420 nan 0.000 0.219 52 P C 0.824 177.844 177.300 -0.468 0.000 1.146 52 P CA 1.359 63.920 63.100 -0.898 0.000 0.808 52 P CB 0.104 31.256 31.700 -0.913 0.000 0.779 53 T N -5.826 108.587 114.554 -0.236 0.000 3.129 53 T HA 0.039 4.390 4.350 0.001 0.000 0.251 53 T C 0.653 175.303 174.700 -0.083 0.000 1.117 53 T CA -0.098 61.922 62.100 -0.134 0.000 1.034 53 T CB -0.752 68.056 68.868 -0.099 0.000 0.968 53 T HN 0.090 nan 8.240 nan 0.000 0.526 54 N N 1.191 119.847 118.700 -0.073 0.000 2.750 54 N HA 0.251 4.992 4.740 0.001 0.000 0.253 54 N C -2.678 172.857 175.510 0.041 0.000 1.408 54 N CA -1.618 51.424 53.050 -0.013 0.000 0.780 54 N CB 1.653 40.128 38.487 -0.020 0.000 1.191 54 N HN -0.033 nan 8.380 nan 0.000 0.511 55 P HA 0.003 nan 4.420 nan 0.000 0.231 55 P C 0.014 177.350 177.300 0.060 0.000 1.158 55 P CA 0.858 64.034 63.100 0.127 0.000 0.763 55 P CB 0.286 32.108 31.700 0.203 0.000 0.805 56 D N -2.778 117.642 120.400 0.033 0.000 2.349 56 D HA -0.009 4.632 4.640 0.001 0.000 0.214 56 D C 0.159 176.435 176.300 -0.039 0.000 1.063 56 D CA -0.206 53.784 54.000 -0.017 0.000 0.847 56 D CB -0.385 40.408 40.800 -0.012 0.000 0.933 56 D HN 0.172 nan 8.370 nan 0.000 0.513 57 W N 2.089 123.260 121.300 -0.214 0.000 2.505 57 W HA -0.032 4.629 4.660 0.002 0.000 0.332 57 W C 1.209 177.449 176.519 -0.465 0.000 1.434 57 W CA -1.034 56.105 57.345 -0.344 0.000 1.320 57 W CB 0.145 29.424 29.460 -0.301 0.000 1.363 57 W HN -0.132 nan 8.180 nan 0.000 0.565 58 I N 5.295 125.502 120.570 -0.605 0.000 2.264 58 I HA -0.296 3.875 4.170 0.001 0.000 0.248 58 I C 1.814 177.352 176.117 -0.965 0.000 1.111 58 I CA 1.820 62.669 61.300 -0.752 0.000 1.382 58 I CB -0.556 37.099 38.000 -0.574 0.000 1.060 58 I HN 0.611 nan 8.210 nan 0.000 0.418 59 N N 0.781 118.603 118.700 -1.464 0.000 2.313 59 N HA 0.003 4.744 4.740 0.001 0.000 0.207 59 N C 0.077 174.663 175.510 -1.539 0.000 1.141 59 N CA -0.185 52.108 53.050 -1.261 0.000 0.830 59 N CB -0.190 37.676 38.487 -1.034 0.000 1.008 59 N HN 0.354 nan 8.380 nan 0.000 0.481 60 R N -0.438 119.163 120.500 -1.498 0.000 2.643 60 R HA 0.137 4.477 4.340 0.001 0.000 0.270 60 R C -0.814 175.184 176.300 -0.503 0.000 1.061 60 R CA -0.315 55.196 56.100 -0.982 0.000 1.107 60 R CB 0.359 30.395 30.300 -0.440 0.000 0.999 60 R HN -0.012 nan 8.270 nan 0.000 0.460 61 D N 1.930 122.165 120.400 -0.274 0.000 2.414 61 D HA 0.089 4.730 4.640 0.001 0.000 0.242 61 D C -0.158 176.104 176.300 -0.062 0.000 1.129 61 D CA 0.241 54.194 54.000 -0.078 0.000 0.885 61 D CB 0.759 41.632 40.800 0.121 0.000 1.198 61 D HN 0.342 nan 8.370 nan 0.000 0.437 62 R N 0.976 121.467 120.500 -0.015 0.000 2.532 62 R HA 0.488 4.829 4.340 0.001 0.000 0.295 62 R C -0.840 175.545 176.300 0.141 0.000 0.968 62 R CA -0.749 55.359 56.100 0.012 0.000 0.916 62 R CB 1.227 31.517 30.300 -0.016 0.000 1.124 62 R HN 0.321 nan 8.270 nan 0.000 0.463 63 F N 2.952 122.854 119.950 -0.080 0.000 2.493 63 F HA 0.519 5.047 4.527 0.002 0.000 0.329 63 F C -1.255 174.530 175.800 -0.026 0.000 1.126 63 F CA -0.790 57.168 58.000 -0.070 0.000 0.937 63 F CB 1.359 40.208 39.000 -0.252 0.000 1.146 63 F HN 0.131 nan 8.300 nan 0.000 0.442 64 V N 7.429 126.927 119.914 -0.693 0.000 2.444 64 V HA 0.302 4.423 4.120 0.001 0.000 0.294 64 V C -0.669 174.934 176.094 -0.818 0.000 1.022 64 V CA -0.786 61.182 62.300 -0.553 0.000 0.850 64 V CB 1.586 33.277 31.823 -0.220 0.000 0.992 64 V HN 0.681 nan 8.190 nan 0.000 0.426 65 L N 4.446 125.348 121.223 -0.535 0.000 2.389 65 L HA 0.329 4.670 4.340 0.001 0.000 0.265 65 L C 1.544 178.353 176.870 -0.102 0.000 1.167 65 L CA 0.835 55.512 54.840 -0.273 0.000 1.045 65 L CB 0.809 42.840 42.059 -0.046 0.000 1.351 65 L HN 0.730 nan 8.230 nan 0.000 0.419 66 S N 2.861 118.520 115.700 -0.068 0.000 2.382 66 S HA -0.152 4.319 4.470 0.001 0.000 0.228 66 S C 1.000 175.602 174.600 0.003 0.000 1.027 66 S CA 1.384 59.574 58.200 -0.016 0.000 0.991 66 S CB -0.469 62.733 63.200 0.003 0.000 0.823 66 S HN 0.913 nan 8.310 nan 0.000 0.469 67 N N 0.632 119.330 118.700 -0.004 0.000 3.103 67 N HA 0.226 4.967 4.740 0.001 0.000 0.305 67 N C 1.072 176.437 175.510 -0.241 0.000 1.232 67 N CA 0.172 53.177 53.050 -0.076 0.000 1.190 67 N CB 0.492 38.939 38.487 -0.067 0.000 1.461 67 N HN 0.256 nan 8.380 nan 0.000 0.538 68 G N 1.613 110.374 108.800 -0.066 0.000 2.499 68 G HA2 -0.351 3.610 3.960 0.001 0.000 0.221 68 G HA3 -0.351 3.610 3.960 0.001 0.000 0.221 68 G C 1.314 176.190 174.900 -0.040 0.000 1.109 68 G CA 0.684 45.787 45.100 0.006 0.000 0.749 68 G HN 0.818 nan 8.290 nan 0.000 0.568 69 H N -0.470 118.618 119.070 0.032 0.000 2.546 69 H HA 0.308 4.865 4.556 0.001 0.000 0.277 69 H C 2.055 177.249 175.328 -0.224 0.000 1.004 69 H CA 0.686 56.579 56.048 -0.258 0.000 1.231 69 H CB -0.412 28.975 29.762 -0.625 0.000 1.382 69 H HN 0.276 nan 8.280 nan 0.000 0.580 70 A N 2.067 124.570 122.820 -0.529 0.000 2.268 70 A HA 0.216 4.536 4.320 0.001 0.000 0.221 70 A C 2.171 179.654 177.584 -0.170 0.000 1.287 70 A CA 0.291 52.192 52.037 -0.227 0.000 0.902 70 A CB -0.942 17.948 19.000 -0.184 0.000 0.877 70 A HN 0.285 nan 8.150 nan 0.000 0.487 71 V N -1.096 118.694 119.914 -0.207 0.000 2.324 71 V HA -0.349 3.772 4.120 0.001 0.000 0.250 71 V C 2.792 178.600 176.094 -0.478 0.000 1.060 71 V CA 2.074 64.160 62.300 -0.357 0.000 1.042 71 V CB -1.658 29.931 31.823 -0.391 0.000 0.650 71 V HN 0.586 nan 8.190 nan 0.000 0.450 72 A N 0.256 122.850 122.820 -0.376 0.000 2.024 72 A HA -0.173 4.148 4.320 0.001 0.000 0.220 72 A C 2.164 179.609 177.584 -0.231 0.000 1.164 72 A CA 2.177 53.973 52.037 -0.401 0.000 0.643 72 A CB -0.539 18.220 19.000 -0.402 0.000 0.806 72 A HN 0.533 nan 8.150 nan 0.000 0.451 73 L N -1.020 120.091 121.223 -0.185 0.000 2.044 73 L HA -0.029 4.312 4.340 0.001 0.000 0.205 73 L C 2.189 178.941 176.870 -0.196 0.000 1.075 73 L CA 1.908 56.657 54.840 -0.151 0.000 0.747 73 L CB -0.592 41.424 42.059 -0.070 0.000 0.903 73 L HN 0.311 nan 8.230 nan 0.000 0.435 74 L N -1.274 119.846 121.223 -0.172 0.000 2.046 74 L HA -0.225 4.116 4.340 0.001 0.000 0.208 74 L C 2.373 179.211 176.870 -0.053 0.000 1.077 74 L CA 1.852 56.611 54.840 -0.135 0.000 0.747 74 L CB -0.998 41.041 42.059 -0.033 0.000 0.896 74 L HN 0.290 nan 8.230 nan 0.000 0.432 75 Y N -0.165 120.087 120.300 -0.080 0.000 2.145 75 Y HA -0.185 4.366 4.550 0.001 0.000 0.286 75 Y C 2.895 178.764 175.900 -0.052 0.000 1.145 75 Y CA 0.989 59.062 58.100 -0.045 0.000 1.148 75 Y CB -1.322 37.108 38.460 -0.051 0.000 0.981 75 Y HN 0.225 nan 8.280 nan 0.000 0.507 76 S N -0.287 115.449 115.700 0.060 0.000 2.368 76 S HA -0.254 4.217 4.470 0.001 0.000 0.226 76 S C 2.115 176.660 174.600 -0.092 0.000 1.044 76 S CA 1.763 59.959 58.200 -0.006 0.000 1.062 76 S CB -0.329 62.816 63.200 -0.091 0.000 0.931 76 S HN 0.300 nan 8.310 nan 0.000 0.440 77 M N 0.847 120.251 119.600 -0.328 0.000 2.117 77 M HA 0.012 4.493 4.480 0.001 0.000 0.262 77 M C 2.136 178.219 176.300 -0.361 0.000 1.065 77 M CA 1.284 56.201 55.300 -0.639 0.000 1.114 77 M CB -1.678 29.984 32.600 -1.563 0.000 1.361 77 M HN 0.281 nan 8.290 nan 0.000 0.408 78 L N -1.158 119.976 121.223 -0.148 0.000 2.042 78 L HA -0.269 4.072 4.340 0.001 0.000 0.210 78 L C 2.672 179.686 176.870 0.240 0.000 1.076 78 L CA 1.583 56.477 54.840 0.090 0.000 0.749 78 L CB -0.948 41.144 42.059 0.055 0.000 0.893 78 L HN 0.335 nan 8.230 nan 0.000 0.432 79 H N 0.383 119.524 119.070 0.117 0.000 2.293 79 H HA -0.148 4.409 4.556 0.001 0.000 0.300 79 H C 2.115 177.570 175.328 0.212 0.000 1.082 79 H CA 1.763 57.908 56.048 0.161 0.000 1.308 79 H CB -0.161 29.682 29.762 0.134 0.000 1.375 79 H HN 0.150 nan 8.280 nan 0.000 0.495 80 L N -0.132 121.018 121.223 -0.122 0.000 2.201 80 L HA -0.072 4.269 4.340 0.001 0.000 0.212 80 L C 1.994 178.859 176.870 -0.009 0.000 1.105 80 L CA 1.599 56.384 54.840 -0.092 0.000 0.775 80 L CB -0.373 41.661 42.059 -0.041 0.000 0.913 80 L HN 0.506 nan 8.230 nan 0.000 0.440 81 T N -3.788 110.724 114.554 -0.070 0.000 3.163 81 T HA 0.344 4.695 4.350 0.001 0.000 0.252 81 T C 1.197 175.950 174.700 0.089 0.000 1.056 81 T CA 0.284 62.379 62.100 -0.010 0.000 0.947 81 T CB 0.551 69.434 68.868 0.025 0.000 1.016 81 T HN 0.420 nan 8.240 nan 0.000 0.554 82 G N 0.394 109.245 108.800 0.086 0.000 2.130 82 G HA2 -0.216 3.745 3.960 0.001 0.000 0.216 82 G HA3 -0.216 3.745 3.960 0.001 0.000 0.216 82 G C -0.189 174.698 174.900 -0.021 0.000 0.999 82 G CA -0.355 44.755 45.100 0.017 0.000 0.686 82 G HN 0.570 nan 8.290 nan 0.000 0.515 83 Y N 0.066 120.400 120.300 0.056 0.000 2.260 83 Y HA 0.438 4.990 4.550 0.002 0.000 0.339 83 Y C 1.080 177.022 175.900 0.069 0.000 1.317 83 Y CA 0.145 58.288 58.100 0.072 0.000 1.514 83 Y CB 0.485 39.013 38.460 0.112 0.000 1.382 83 Y HN 0.099 nan 8.280 nan 0.000 0.581 84 D N 1.642 122.178 120.400 0.227 0.000 2.551 84 D HA 0.255 4.896 4.640 0.001 0.000 0.223 84 D C -1.740 174.645 176.300 0.143 0.000 1.144 84 D CA 0.170 54.255 54.000 0.142 0.000 1.025 84 D CB -0.807 40.051 40.800 0.098 0.000 1.085 84 D HN 0.306 nan 8.370 nan 0.000 0.506 85 L N 2.461 123.787 121.223 0.172 0.000 2.596 85 L HA 0.334 4.675 4.340 0.001 0.000 0.265 85 L C -0.443 176.550 176.870 0.205 0.000 0.962 85 L CA -0.357 54.566 54.840 0.139 0.000 0.891 85 L CB 1.480 43.618 42.059 0.131 0.000 1.248 85 L HN 0.211 nan 8.230 nan 0.000 0.410 86 S N 4.324 120.078 115.700 0.090 0.000 2.730 86 S HA 0.494 4.965 4.470 0.001 0.000 0.284 86 S C 1.298 175.795 174.600 -0.171 0.000 1.153 86 S CA -0.853 57.377 58.200 0.049 0.000 0.995 86 S CB 0.929 64.147 63.200 0.031 0.000 1.058 86 S HN 0.501 nan 8.310 nan 0.000 0.552 87 I N 1.295 121.702 120.570 -0.272 0.000 2.286 87 I HA -0.109 4.062 4.170 0.001 0.000 0.248 87 I C 2.485 178.450 176.117 -0.254 0.000 1.115 87 I CA 1.346 62.471 61.300 -0.292 0.000 1.392 87 I CB -1.561 36.344 38.000 -0.158 0.000 1.065 87 I HN 0.745 nan 8.210 nan 0.000 0.418 88 E N 0.770 120.865 120.200 -0.176 0.000 2.085 88 E HA -0.231 4.120 4.350 0.001 0.000 0.194 88 E C 1.687 178.206 176.600 -0.136 0.000 0.994 88 E CA 1.237 57.543 56.400 -0.157 0.000 0.801 88 E CB -0.216 29.424 29.700 -0.099 0.000 0.743 88 E HN 0.526 nan 8.360 nan 0.000 0.453 89 D N 0.920 121.254 120.400 -0.110 0.000 2.097 89 D HA -0.112 4.529 4.640 0.001 0.000 0.195 89 D C 2.276 178.521 176.300 -0.091 0.000 0.989 89 D CA 0.685 54.628 54.000 -0.096 0.000 0.827 89 D CB -0.291 40.450 40.800 -0.098 0.000 0.966 89 D HN 0.173 nan 8.370 nan 0.000 0.456 90 L N 0.594 121.757 121.223 -0.100 0.000 2.083 90 L HA -0.145 4.196 4.340 0.001 0.000 0.209 90 L C 2.235 179.112 176.870 0.012 0.000 1.083 90 L CA 1.077 55.913 54.840 -0.007 0.000 0.752 90 L CB -0.401 41.683 42.059 0.042 0.000 0.899 90 L HN -0.042 nan 8.230 nan 0.000 0.433 91 K N 0.011 120.266 120.400 -0.242 0.000 2.442 91 K HA -0.142 4.179 4.320 0.001 0.000 0.198 91 K C 1.321 177.877 176.600 -0.073 0.000 1.042 91 K CA 0.799 56.894 56.287 -0.321 0.000 0.958 91 K CB 0.012 32.202 32.500 -0.516 0.000 0.766 91 K HN 0.439 nan 8.250 nan 0.000 0.474 92 Q N -0.106 119.687 119.800 -0.013 0.000 2.188 92 Q HA 0.096 4.437 4.340 0.001 0.000 0.212 92 Q C -0.585 175.477 176.000 0.105 0.000 0.846 92 Q CA -0.527 55.293 55.803 0.029 0.000 0.989 92 Q CB 0.274 29.006 28.738 -0.011 0.000 1.114 92 Q HN 0.123 nan 8.270 nan 0.000 0.488 93 F N 2.055 122.019 119.950 0.023 0.000 2.623 93 F HA -0.129 4.400 4.527 0.002 0.000 0.383 93 F C 0.806 176.654 175.800 0.081 0.000 1.077 93 F CA 0.907 58.956 58.000 0.081 0.000 1.268 93 F CB 0.228 39.319 39.000 0.152 0.000 1.053 93 F HN 0.195 nan 8.300 nan 0.000 0.571 94 R N 0.943 121.182 120.500 -0.434 0.000 3.994 94 R HA -0.209 4.132 4.340 0.001 0.000 0.403 94 R C -0.531 175.678 176.300 -0.152 0.000 1.126 94 R CA 0.783 56.645 56.100 -0.398 0.000 1.143 94 R CB -1.569 28.384 30.300 -0.577 0.000 1.695 94 R HN 0.607 nan 8.270 nan 0.000 0.555 95 Q N 0.930 120.686 119.800 -0.074 0.000 2.230 95 Q HA 0.308 4.649 4.340 0.001 0.000 0.253 95 Q C 0.030 176.018 176.000 -0.020 0.000 0.919 95 Q CA -1.014 54.770 55.803 -0.032 0.000 0.908 95 Q CB 1.045 29.777 28.738 -0.009 0.000 1.245 95 Q HN 0.124 nan 8.270 nan 0.000 0.437 96 L N 1.708 122.923 121.223 -0.013 0.000 2.601 96 L HA 0.162 4.503 4.340 0.001 0.000 0.277 96 L C 1.205 178.075 176.870 -0.002 0.000 1.219 96 L CA 2.229 57.066 54.840 -0.004 0.000 0.915 96 L CB -0.204 41.854 42.059 -0.002 0.000 1.160 96 L HN 0.934 nan 8.230 nan 0.000 0.494 97 G N 2.187 110.988 108.800 0.003 0.000 2.205 97 G HA2 -0.305 3.656 3.960 0.001 0.000 0.261 97 G HA3 -0.305 3.656 3.960 0.001 0.000 0.261 97 G C 0.404 175.304 174.900 0.000 0.000 0.980 97 G CA 0.495 45.597 45.100 0.003 0.000 0.632 97 G HN 1.158 nan 8.290 nan 0.000 0.533 98 S N -0.562 115.137 115.700 -0.002 0.000 2.600 98 S HA 0.552 5.023 4.470 0.001 0.000 0.265 98 S C 1.203 175.796 174.600 -0.010 0.000 1.325 98 S CA 0.333 58.528 58.200 -0.008 0.000 1.002 98 S CB 1.245 64.442 63.200 -0.005 0.000 0.921 98 S HN 0.406 nan 8.310 nan 0.000 0.554 99 R N 0.028 120.508 120.500 -0.033 0.000 2.299 99 R HA 0.061 4.402 4.340 0.001 0.000 0.197 99 R C 0.399 176.635 176.300 -0.106 0.000 0.971 99 R CA 0.989 57.059 56.100 -0.050 0.000 1.030 99 R CB -0.285 29.977 30.300 -0.063 0.000 0.932 99 R HN 0.865 nan 8.270 nan 0.000 0.477 100 T N -0.001 114.484 114.554 -0.115 0.000 3.368 100 T HA 0.299 4.650 4.350 0.001 0.000 0.321 100 T C -2.424 172.399 174.700 0.204 0.000 1.830 100 T CA -2.075 59.923 62.100 -0.170 0.000 1.494 100 T CB 0.878 69.595 68.868 -0.252 0.000 1.045 100 T HN -0.100 nan 8.240 nan 0.000 0.729 101 P HA 0.154 nan 4.420 nan 0.000 0.271 101 P C 1.331 178.717 177.300 0.143 0.000 1.233 101 P CA -0.071 63.115 63.100 0.142 0.000 0.789 101 P CB 0.508 32.297 31.700 0.149 0.000 0.951 102 G N -0.206 108.557 108.800 -0.063 0.000 2.535 102 G HA2 -0.109 3.851 3.960 0.001 0.000 0.218 102 G HA3 -0.109 3.851 3.960 0.001 0.000 0.218 102 G C 0.085 174.858 174.900 -0.211 0.000 1.122 102 G CA 0.814 45.791 45.100 -0.206 0.000 0.769 102 G HN 0.607 nan 8.290 nan 0.000 0.549 103 H N -0.946 118.208 119.070 0.139 0.000 2.851 103 H HA 0.414 4.971 4.556 0.002 0.000 0.372 103 H C -2.500 172.906 175.328 0.130 0.000 1.158 103 H CA -1.594 54.520 56.048 0.111 0.000 1.159 103 H CB 2.633 32.450 29.762 0.091 0.000 1.757 103 H HN -0.109 nan 8.280 nan 0.000 0.546 104 P HA 0.088 nan 4.420 nan 0.000 0.276 104 P C -0.807 176.628 177.300 0.226 0.000 1.235 104 P CA -0.245 62.969 63.100 0.192 0.000 0.772 104 P CB 1.131 32.887 31.700 0.093 0.000 0.871 105 E N 1.917 122.266 120.200 0.248 0.000 2.175 105 E HA 0.123 4.473 4.350 0.001 0.000 0.278 105 E C 0.519 177.272 176.600 0.255 0.000 0.969 105 E CA -0.632 55.905 56.400 0.228 0.000 0.796 105 E CB 0.619 30.433 29.700 0.190 0.000 1.104 105 E HN 0.327 nan 8.360 nan 0.000 0.395 106 F N 3.540 123.555 119.950 0.108 0.000 2.135 106 F HA -0.336 4.192 4.527 0.002 0.000 0.300 106 F C 1.994 177.851 175.800 0.095 0.000 1.074 106 F CA 2.239 60.303 58.000 0.107 0.000 1.262 106 F CB 0.043 39.094 39.000 0.086 0.000 1.013 106 F HN 0.634 nan 8.300 nan 0.000 0.489 107 E N 0.210 120.410 120.200 0.000 0.000 2.160 107 E HA -0.224 4.127 4.350 0.001 0.000 0.195 107 E C 0.682 177.239 176.600 -0.071 0.000 0.991 107 E CA 0.444 56.787 56.400 -0.096 0.000 0.810 107 E CB -0.297 29.408 29.700 0.009 0.000 0.742 107 E HN 0.296 nan 8.360 nan 0.000 0.466 108 L N 2.122 123.353 121.223 0.013 0.000 2.410 108 L HA 0.161 4.501 4.340 0.001 0.000 0.273 108 L C -2.313 174.572 176.870 0.024 0.000 1.152 108 L CA -1.597 53.265 54.840 0.037 0.000 0.855 108 L CB 0.733 42.852 42.059 0.099 0.000 1.129 108 L HN -0.116 nan 8.230 nan 0.000 0.463 109 P HA 0.199 nan 4.420 nan 0.000 0.266 109 P C 0.592 177.955 177.300 0.105 0.000 1.195 109 P CA 0.834 63.984 63.100 0.083 0.000 0.768 109 P CB 0.684 32.460 31.700 0.127 0.000 0.838 110 G N 1.116 109.965 108.800 0.083 0.000 2.234 110 G HA2 -0.226 3.735 3.960 0.001 0.000 0.260 110 G HA3 -0.226 3.735 3.960 0.001 0.000 0.260 110 G C 0.010 174.903 174.900 -0.012 0.000 0.987 110 G CA 0.005 45.030 45.100 -0.125 0.000 0.625 110 G HN 0.545 nan 8.290 nan 0.000 0.532 111 V N 1.940 121.899 119.914 0.075 0.000 2.333 111 V HA 0.379 4.500 4.120 0.001 0.000 0.274 111 V C 1.182 177.389 176.094 0.189 0.000 1.028 111 V CA -0.370 62.019 62.300 0.148 0.000 0.851 111 V CB 1.549 33.485 31.823 0.189 0.000 1.000 111 V HN 0.272 nan 8.190 nan 0.000 0.456 112 E N 3.259 123.573 120.200 0.190 0.000 2.285 112 E HA 0.009 4.360 4.350 0.001 0.000 0.194 112 E C 0.337 177.176 176.600 0.400 0.000 0.997 112 E CA 0.773 57.319 56.400 0.244 0.000 0.845 112 E CB 0.527 30.302 29.700 0.125 0.000 0.782 112 E HN 0.696 nan 8.360 nan 0.000 0.491 113 V N -2.984 117.132 119.914 0.336 0.000 3.264 113 V HA 0.359 4.480 4.120 0.001 0.000 0.294 113 V C -0.316 175.929 176.094 0.251 0.000 1.429 113 V CA -1.117 61.345 62.300 0.270 0.000 1.053 113 V CB 1.612 33.484 31.823 0.081 0.000 1.128 113 V HN -0.048 nan 8.190 nan 0.000 0.452 114 T N 1.255 115.938 114.554 0.216 0.000 2.771 114 T HA 0.739 5.090 4.350 0.001 0.000 0.291 114 T C 0.099 174.875 174.700 0.127 0.000 0.954 114 T CA 0.582 62.791 62.100 0.182 0.000 1.045 114 T CB 0.704 69.677 68.868 0.175 0.000 0.917 114 T HN 1.717 nan 8.240 nan 0.000 0.484 115 T N 1.218 115.843 114.554 0.119 0.000 2.841 115 T HA 0.873 5.224 4.350 0.001 0.000 0.276 115 T C 0.969 175.731 174.700 0.104 0.000 1.003 115 T CA -0.048 62.105 62.100 0.087 0.000 0.995 115 T CB 1.416 70.320 68.868 0.059 0.000 1.260 115 T HN 1.319 nan 8.240 nan 0.000 0.581 116 G N 0.206 109.053 108.800 0.079 0.000 3.246 116 G HA2 -0.006 3.955 3.960 0.001 0.000 0.196 116 G HA3 -0.006 3.955 3.960 0.001 0.000 0.196 116 G C -2.462 172.406 174.900 -0.053 0.000 2.019 116 G CA -0.446 44.663 45.100 0.015 0.000 1.385 116 G HN 0.874 nan 8.290 nan 0.000 0.484 117 P HA 0.403 nan 4.420 nan 0.000 0.257 117 P C 0.404 177.714 177.300 0.018 0.000 1.189 117 P CA 0.150 63.245 63.100 -0.008 0.000 0.780 117 P CB 0.160 31.872 31.700 0.020 0.000 0.772 118 L N 2.505 123.738 121.223 0.016 0.000 2.485 118 L HA 0.203 4.543 4.340 0.001 0.000 0.275 118 L C 1.830 178.688 176.870 -0.021 0.000 1.207 118 L CA 0.789 55.636 54.840 0.011 0.000 0.855 118 L CB -0.352 41.710 42.059 0.005 0.000 1.114 118 L HN 0.768 nan 8.230 nan 0.000 0.485 119 G N 0.636 109.419 108.800 -0.029 0.000 2.253 119 G HA2 -0.265 3.696 3.960 0.001 0.000 0.251 119 G HA3 -0.265 3.696 3.960 0.001 0.000 0.251 119 G C 0.991 175.859 174.900 -0.053 0.000 0.998 119 G CA 0.209 45.272 45.100 -0.062 0.000 0.621 119 G HN 0.591 nan 8.290 nan 0.000 0.524 120 Q N 0.464 120.254 119.800 -0.017 0.000 1.993 120 Q HA -0.037 4.304 4.340 0.001 0.000 0.202 120 Q C 2.819 178.821 176.000 0.003 0.000 0.984 120 Q CA 2.258 58.067 55.803 0.010 0.000 0.837 120 Q CB -1.128 27.637 28.738 0.046 0.000 0.902 120 Q HN 0.696 nan 8.270 nan 0.000 0.423 121 G N 1.631 110.433 108.800 0.004 0.000 2.529 121 G HA2 -0.304 3.657 3.960 0.001 0.000 0.219 121 G HA3 -0.304 3.657 3.960 0.001 0.000 0.219 121 G C 1.515 176.408 174.900 -0.012 0.000 1.177 121 G CA 1.144 46.238 45.100 -0.010 0.000 0.773 121 G HN 0.386 nan 8.290 nan 0.000 0.573 122 I N 0.982 121.553 120.570 0.002 0.000 2.264 122 I HA -0.135 4.035 4.170 0.001 0.000 0.248 122 I C 2.674 178.812 176.117 0.034 0.000 1.111 122 I CA 2.103 63.423 61.300 0.033 0.000 1.382 122 I CB -0.257 37.769 38.000 0.045 0.000 1.060 122 I HN 0.107 nan 8.210 nan 0.000 0.418 123 S N 0.567 116.270 115.700 0.005 0.000 2.387 123 S HA -0.092 4.379 4.470 0.001 0.000 0.226 123 S C 1.680 176.267 174.600 -0.021 0.000 1.026 123 S CA 1.473 59.671 58.200 -0.004 0.000 0.972 123 S CB -0.763 62.423 63.200 -0.023 0.000 0.814 123 S HN 0.628 nan 8.310 nan 0.000 0.477 124 N N 2.124 120.804 118.700 -0.033 0.000 2.120 124 N HA -0.060 4.681 4.740 0.001 0.000 0.188 124 N C 1.907 177.376 175.510 -0.068 0.000 1.024 124 N CA 1.047 54.057 53.050 -0.067 0.000 0.852 124 N CB -0.281 38.163 38.487 -0.071 0.000 1.003 124 N HN 0.403 nan 8.380 nan 0.000 0.424 125 A N 0.817 123.613 122.820 -0.040 0.000 1.972 125 A HA -0.088 4.233 4.320 0.001 0.000 0.219 125 A C 2.362 179.915 177.584 -0.051 0.000 1.169 125 A CA 1.034 53.049 52.037 -0.037 0.000 0.635 125 A CB -0.678 18.315 19.000 -0.011 0.000 0.810 125 A HN 0.112 nan 8.150 nan 0.000 0.446 126 V N -0.165 119.729 119.914 -0.032 0.000 2.295 126 V HA -0.198 3.923 4.120 0.001 0.000 0.246 126 V C 2.827 178.849 176.094 -0.121 0.000 1.049 126 V CA 2.048 64.318 62.300 -0.050 0.000 1.024 126 V CB -1.432 30.392 31.823 0.002 0.000 0.648 126 V HN 0.599 nan 8.190 nan 0.000 0.447 127 G N -0.848 107.872 108.800 -0.133 0.000 2.421 127 G HA2 -0.278 3.683 3.960 0.001 0.000 0.216 127 G HA3 -0.278 3.683 3.960 0.001 0.000 0.216 127 G C 1.641 176.375 174.900 -0.278 0.000 1.171 127 G CA 1.132 46.104 45.100 -0.214 0.000 0.775 127 G HN 0.410 nan 8.290 nan 0.000 0.543 128 M N 0.899 120.388 119.600 -0.185 0.000 2.106 128 M HA -0.131 4.349 4.480 0.001 0.000 0.259 128 M C 3.023 179.168 176.300 -0.259 0.000 1.068 128 M CA 1.637 56.856 55.300 -0.135 0.000 1.100 128 M CB -0.286 32.316 32.600 0.004 0.000 1.351 128 M HN 0.330 nan 8.290 nan 0.000 0.404 129 A N 0.041 122.725 122.820 -0.227 0.000 1.902 129 A HA -0.183 4.138 4.320 0.001 0.000 0.217 129 A C 2.096 179.478 177.584 -0.335 0.000 1.181 129 A CA 1.755 53.635 52.037 -0.262 0.000 0.623 129 A CB -0.605 18.271 19.000 -0.207 0.000 0.818 129 A HN 0.487 nan 8.150 nan 0.000 0.443 130 M N -0.573 118.822 119.600 -0.342 0.000 2.086 130 M HA -0.127 4.354 4.480 0.001 0.000 0.261 130 M C 2.563 178.493 176.300 -0.617 0.000 1.067 130 M CA 1.478 56.541 55.300 -0.395 0.000 1.116 130 M CB -0.440 31.840 32.600 -0.534 0.000 1.348 130 M HN 0.461 nan 8.290 nan 0.000 0.407 131 A N -0.275 122.048 122.820 -0.828 0.000 1.902 131 A HA -0.219 4.102 4.320 0.001 0.000 0.217 131 A C 2.161 179.071 177.584 -1.122 0.000 1.181 131 A CA 1.626 52.937 52.037 -1.210 0.000 0.623 131 A CB -0.835 17.300 19.000 -1.442 0.000 0.818 131 A HN 0.506 nan 8.150 nan 0.000 0.443 132 Q N -0.138 119.000 119.800 -1.103 0.000 2.096 132 Q HA -0.178 4.162 4.340 0.001 0.000 0.204 132 Q C 2.228 178.018 176.000 -0.350 0.000 0.982 132 Q CA 2.022 57.458 55.803 -0.613 0.000 0.850 132 Q CB -0.458 28.084 28.738 -0.327 0.000 0.901 132 Q HN 0.577 nan 8.270 nan 0.000 0.422 133 A N 1.195 123.796 122.820 -0.365 0.000 1.969 133 A HA -0.165 4.156 4.320 0.001 0.000 0.218 133 A C 1.963 179.458 177.584 -0.149 0.000 1.169 133 A CA 1.400 53.206 52.037 -0.385 0.000 0.635 133 A CB -0.730 17.813 19.000 -0.761 0.000 0.810 133 A HN 0.557 nan 8.150 nan 0.000 0.445 134 N N -0.172 118.533 118.700 0.007 0.000 2.106 134 N HA -0.147 4.594 4.740 0.001 0.000 0.188 134 N C 1.804 177.389 175.510 0.125 0.000 1.029 134 N CA 1.603 54.737 53.050 0.140 0.000 0.848 134 N CB -0.203 38.332 38.487 0.080 0.000 1.007 134 N HN 0.326 nan 8.380 nan 0.000 0.423 135 L N 1.753 123.067 121.223 0.153 0.000 1.990 135 L HA -0.151 4.189 4.340 0.001 0.000 0.213 135 L C 2.531 179.524 176.870 0.205 0.000 1.072 135 L CA 2.088 57.099 54.840 0.285 0.000 0.755 135 L CB -0.942 41.301 42.059 0.308 0.000 0.889 135 L HN 0.219 nan 8.230 nan 0.000 0.432 136 A N -0.668 122.201 122.820 0.082 0.000 1.873 136 A HA -0.264 4.057 4.320 0.001 0.000 0.218 136 A C 2.405 180.015 177.584 0.042 0.000 1.193 136 A CA 2.386 54.452 52.037 0.047 0.000 0.629 136 A CB -1.347 17.635 19.000 -0.030 0.000 0.826 136 A HN 0.580 nan 8.150 nan 0.000 0.447 137 A N -1.735 121.100 122.820 0.025 0.000 2.015 137 A HA 0.005 4.326 4.320 0.001 0.000 0.219 137 A C 2.199 179.772 177.584 -0.019 0.000 1.163 137 A CA 2.128 54.181 52.037 0.026 0.000 0.646 137 A CB -0.824 18.216 19.000 0.067 0.000 0.806 137 A HN 0.465 nan 8.150 nan 0.000 0.448 138 T N -2.182 112.328 114.554 -0.073 0.000 2.976 138 T HA 0.053 4.404 4.350 0.001 0.000 0.257 138 T C 1.301 175.745 174.700 -0.428 0.000 1.051 138 T CA 1.270 63.187 62.100 -0.306 0.000 1.141 138 T CB -0.223 68.345 68.868 -0.500 0.000 0.881 138 T HN 0.575 nan 8.240 nan 0.000 0.461 139 Y N 0.441 120.757 120.300 0.027 0.000 2.483 139 Y HA 0.397 4.947 4.550 0.002 0.000 0.258 139 Y C 0.735 176.626 175.900 -0.014 0.000 1.083 139 Y CA -1.010 57.098 58.100 0.014 0.000 1.283 139 Y CB -0.021 38.418 38.460 -0.035 0.000 1.178 139 Y HN 0.010 nan 8.280 nan 0.000 0.515 140 N N 2.022 120.796 118.700 0.122 0.000 2.492 140 N HA 0.105 4.846 4.740 0.001 0.000 0.260 140 N C -0.339 175.232 175.510 0.102 0.000 1.215 140 N CA 0.356 53.473 53.050 0.111 0.000 0.923 140 N CB 0.514 39.056 38.487 0.092 0.000 1.092 140 N HN -0.019 nan 8.380 nan 0.000 0.448 141 K N 1.595 122.106 120.400 0.185 0.000 2.435 141 K HA 0.461 4.782 4.320 0.001 0.000 0.251 141 K C -2.620 174.169 176.600 0.315 0.000 0.954 141 K CA -1.808 54.570 56.287 0.152 0.000 0.820 141 K CB 1.863 34.282 32.500 -0.136 0.000 1.292 141 K HN 0.340 nan 8.250 nan 0.000 0.436 142 P HA -0.083 nan 4.420 nan 0.000 0.258 142 P C 0.626 178.069 177.300 0.239 0.000 1.172 142 P CA 1.102 64.330 63.100 0.213 0.000 0.762 142 P CB 0.244 32.047 31.700 0.172 0.000 0.764 143 G N 3.065 111.901 108.800 0.060 0.000 2.268 143 G HA2 -0.258 3.703 3.960 0.001 0.000 0.240 143 G HA3 -0.258 3.703 3.960 0.001 0.000 0.240 143 G C -0.119 174.469 174.900 -0.521 0.000 1.010 143 G CA -0.343 44.622 45.100 -0.225 0.000 0.618 143 G HN 0.454 nan 8.290 nan 0.000 0.516 144 F N 2.358 122.418 119.950 0.183 0.000 2.453 144 F HA 0.519 5.047 4.527 0.002 0.000 0.358 144 F C 0.408 176.271 175.800 0.106 0.000 1.129 144 F CA -0.532 57.582 58.000 0.190 0.000 1.200 144 F CB 1.508 40.752 39.000 0.406 0.000 1.431 144 F HN -0.096 nan 8.300 nan 0.000 0.503 145 T N 3.846 118.494 114.554 0.157 0.000 3.176 145 T HA 0.226 4.577 4.350 0.001 0.000 0.301 145 T C 1.573 176.364 174.700 0.150 0.000 1.115 145 T CA 0.014 62.193 62.100 0.132 0.000 1.027 145 T CB 0.077 69.003 68.868 0.097 0.000 1.063 145 T HN 0.482 nan 8.240 nan 0.000 0.669 146 L N 1.287 122.587 121.223 0.129 0.000 2.179 146 L HA 0.127 4.468 4.340 0.001 0.000 0.208 146 L C 1.481 178.541 176.870 0.316 0.000 1.096 146 L CA 0.621 55.584 54.840 0.205 0.000 0.779 146 L CB 0.144 42.191 42.059 -0.020 0.000 0.922 146 L HN 0.408 nan 8.230 nan 0.000 0.443 147 S N -0.227 115.563 115.700 0.151 0.000 2.561 147 S HA 0.387 4.857 4.470 0.001 0.000 0.303 147 S C -0.772 173.833 174.600 0.009 0.000 1.110 147 S CA -0.660 57.587 58.200 0.079 0.000 1.034 147 S CB 1.045 64.297 63.200 0.087 0.000 1.010 147 S HN 0.397 nan 8.310 nan 0.000 0.482 148 D N 2.487 122.854 120.400 -0.055 0.000 2.742 148 D HA -0.007 4.634 4.640 0.001 0.000 0.302 148 D C -0.136 176.002 176.300 -0.270 0.000 1.588 148 D CA -0.402 53.514 54.000 -0.140 0.000 0.873 148 D CB -1.085 39.676 40.800 -0.066 0.000 1.418 148 D HN 0.563 nan 8.370 nan 0.000 0.420 149 N N 0.565 119.116 118.700 -0.248 0.000 2.415 149 N HA -0.004 4.737 4.740 0.001 0.000 0.248 149 N C -0.680 174.567 175.510 -0.439 0.000 1.271 149 N CA 0.251 53.131 53.050 -0.285 0.000 0.913 149 N CB 0.815 39.155 38.487 -0.245 0.000 1.129 149 N HN -0.027 nan 8.380 nan 0.000 0.444 150 Y N -0.677 119.498 120.300 -0.207 0.000 2.403 150 Y HA 0.287 4.837 4.550 0.001 0.000 0.323 150 Y C 0.531 176.181 175.900 -0.416 0.000 1.226 150 Y CA -0.293 57.581 58.100 -0.377 0.000 1.235 150 Y CB 1.645 39.733 38.460 -0.620 0.000 1.248 150 Y HN 0.405 nan 8.280 nan 0.000 0.489 151 T N 2.216 116.586 114.554 -0.308 0.000 2.847 151 T HA 0.386 4.737 4.350 0.001 0.000 0.291 151 T C -1.492 173.055 174.700 -0.256 0.000 0.998 151 T CA -0.699 61.277 62.100 -0.207 0.000 0.967 151 T CB -0.044 68.753 68.868 -0.118 0.000 0.954 151 T HN 0.233 nan 8.240 nan 0.000 0.441 152 Y N 1.702 122.051 120.300 0.082 0.000 2.360 152 Y HA 0.603 5.154 4.550 0.002 0.000 0.337 152 Y C 0.063 175.981 175.900 0.030 0.000 1.039 152 Y CA -1.086 57.087 58.100 0.122 0.000 1.109 152 Y CB 1.393 39.977 38.460 0.206 0.000 1.201 152 Y HN 0.340 nan 8.280 nan 0.000 0.458 153 V N 3.799 123.856 119.914 0.238 0.000 2.531 153 V HA 0.397 4.518 4.120 0.001 0.000 0.301 153 V C -0.843 175.430 176.094 0.297 0.000 1.034 153 V CA -1.100 61.255 62.300 0.091 0.000 0.865 153 V CB 1.361 33.247 31.823 0.106 0.000 0.995 153 V HN 0.403 nan 8.190 nan 0.000 0.424 154 F N 5.705 125.593 119.950 -0.104 0.000 2.404 154 F HA 0.808 5.336 4.527 0.001 0.000 0.345 154 F C 0.144 175.945 175.800 0.002 0.000 1.110 154 F CA -1.260 56.758 58.000 0.029 0.000 1.130 154 F CB 1.494 40.552 39.000 0.097 0.000 1.129 154 F HN 0.517 nan 8.300 nan 0.000 0.500 155 L N 0.802 122.134 121.223 0.182 0.000 2.409 155 L HA 1.108 5.449 4.340 0.001 0.000 0.255 155 L C -0.367 176.597 176.870 0.157 0.000 1.027 155 L CA -0.911 53.998 54.840 0.115 0.000 0.834 155 L CB 2.042 44.130 42.059 0.048 0.000 1.426 155 L HN 0.578 nan 8.230 nan 0.000 0.411 156 G N -0.598 108.289 108.800 0.145 0.000 3.108 156 G HA2 0.320 4.280 3.960 0.001 0.000 0.268 156 G HA3 0.320 4.280 3.960 0.001 0.000 0.268 156 G C -0.345 174.663 174.900 0.180 0.000 1.361 156 G CA -0.163 45.072 45.100 0.225 0.000 1.047 156 G HN 0.738 nan 8.290 nan 0.000 0.540 157 D N -0.073 120.463 120.400 0.228 0.000 2.097 157 D HA -0.127 4.514 4.640 0.001 0.000 0.195 157 D C 2.505 178.695 176.300 -0.184 0.000 0.989 157 D CA 1.674 55.724 54.000 0.084 0.000 0.827 157 D CB -0.379 40.503 40.800 0.137 0.000 0.966 157 D HN 0.443 nan 8.370 nan 0.000 0.456 158 G N 0.954 109.693 108.800 -0.101 0.000 2.476 158 G HA2 -0.322 3.639 3.960 0.001 0.000 0.218 158 G HA3 -0.322 3.639 3.960 0.001 0.000 0.218 158 G C 1.961 176.781 174.900 -0.134 0.000 1.164 158 G CA 1.087 46.107 45.100 -0.133 0.000 0.768 158 G HN 0.312 nan 8.290 nan 0.000 0.560 159 C N 0.215 119.472 119.300 -0.072 0.000 2.413 159 C HA 0.041 4.502 4.460 0.001 0.000 0.277 159 C C 2.874 177.793 174.990 -0.118 0.000 1.265 159 C CA 0.611 59.586 59.018 -0.073 0.000 1.752 159 C CB -1.016 26.703 27.740 -0.035 0.000 1.998 159 C HN 0.437 nan 8.230 nan 0.000 0.489 160 L N 0.008 121.126 121.223 -0.175 0.000 2.291 160 L HA -0.146 4.195 4.340 0.001 0.000 0.214 160 L C 2.605 179.372 176.870 -0.172 0.000 1.120 160 L CA 1.235 55.985 54.840 -0.151 0.000 0.799 160 L CB -0.663 41.304 42.059 -0.153 0.000 0.925 160 L HN 0.498 nan 8.230 nan 0.000 0.446 161 Q N -0.538 119.041 119.800 -0.369 0.000 2.269 161 Q HA -0.018 4.323 4.340 0.001 0.000 0.201 161 Q C 0.299 176.205 176.000 -0.157 0.000 0.946 161 Q CA 0.292 55.898 55.803 -0.330 0.000 0.877 161 Q CB 0.289 28.752 28.738 -0.458 0.000 0.963 161 Q HN 0.324 nan 8.270 nan 0.000 0.472 162 E N 0.348 120.463 120.200 -0.141 0.000 2.376 162 E HA -0.017 4.334 4.350 0.001 0.000 0.266 162 E C 0.876 177.417 176.600 -0.098 0.000 1.009 162 E CA 0.214 56.549 56.400 -0.109 0.000 0.902 162 E CB 1.123 30.756 29.700 -0.111 0.000 0.972 162 E HN 0.337 nan 8.360 nan 0.000 0.439 163 G N 3.785 112.533 108.800 -0.087 0.000 2.443 163 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 163 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 163 G C 1.439 176.275 174.900 -0.106 0.000 1.131 163 G CA 0.112 45.170 45.100 -0.070 0.000 0.775 163 G HN 0.625 nan 8.290 nan 0.000 0.547 164 I N 1.684 122.132 120.570 -0.203 0.000 2.264 164 I HA -0.247 3.924 4.170 0.001 0.000 0.248 164 I C 2.936 178.954 176.117 -0.165 0.000 1.111 164 I CA 1.950 63.081 61.300 -0.282 0.000 1.382 164 I CB 0.002 37.593 38.000 -0.682 0.000 1.060 164 I HN 0.336 nan 8.210 nan 0.000 0.418 165 S N -0.789 114.836 115.700 -0.126 0.000 2.436 165 S HA -0.074 4.397 4.470 0.001 0.000 0.228 165 S C 1.937 176.478 174.600 -0.099 0.000 1.014 165 S CA 1.001 59.155 58.200 -0.076 0.000 0.950 165 S CB -0.228 62.946 63.200 -0.044 0.000 0.784 165 S HN 0.456 nan 8.310 nan 0.000 0.504 166 S N 2.201 117.841 115.700 -0.101 0.000 2.355 166 S HA -0.064 4.407 4.470 0.001 0.000 0.222 166 S C 1.854 176.309 174.600 -0.241 0.000 1.031 166 S CA 1.326 59.438 58.200 -0.147 0.000 0.993 166 S CB -0.389 62.797 63.200 -0.023 0.000 0.859 166 S HN 0.679 nan 8.310 nan 0.000 0.453 167 E N 1.512 121.628 120.200 -0.140 0.000 2.038 167 E HA -0.143 4.208 4.350 0.001 0.000 0.195 167 E C 2.391 178.914 176.600 -0.129 0.000 1.000 167 E CA 1.162 57.493 56.400 -0.116 0.000 0.803 167 E CB -0.307 29.363 29.700 -0.050 0.000 0.750 167 E HN 0.501 nan 8.360 nan 0.000 0.448 168 A N 0.889 123.650 122.820 -0.098 0.000 1.902 168 A HA -0.190 4.131 4.320 0.001 0.000 0.217 168 A C 2.338 179.900 177.584 -0.038 0.000 1.181 168 A CA 1.761 53.772 52.037 -0.043 0.000 0.623 168 A CB -0.466 18.527 19.000 -0.012 0.000 0.818 168 A HN 0.131 nan 8.150 nan 0.000 0.443 169 S N -0.525 115.082 115.700 -0.155 0.000 2.383 169 S HA -0.127 4.344 4.470 0.001 0.000 0.227 169 S C 2.291 176.581 174.600 -0.516 0.000 1.026 169 S CA 1.306 59.376 58.200 -0.217 0.000 0.981 169 S CB -0.337 62.461 63.200 -0.671 0.000 0.818 169 S HN 0.692 nan 8.310 nan 0.000 0.472 170 S N 1.310 116.467 115.700 -0.905 0.000 2.356 170 S HA -0.088 4.383 4.470 0.001 0.000 0.223 170 S C 1.853 176.390 174.600 -0.106 0.000 1.032 170 S CA 1.085 58.934 58.200 -0.586 0.000 1.005 170 S CB -0.454 62.524 63.200 -0.371 0.000 0.867 170 S HN 0.340 nan 8.310 nan 0.000 0.449 171 L N 1.977 123.161 121.223 -0.065 0.000 2.017 171 L HA 0.124 4.465 4.340 0.001 0.000 0.208 171 L C 2.581 179.497 176.870 0.077 0.000 1.073 171 L CA 2.149 57.011 54.840 0.036 0.000 0.745 171 L CB -1.455 40.620 42.059 0.027 0.000 0.894 171 L HN 0.343 nan 8.230 nan 0.000 0.432 172 A N -0.511 122.354 122.820 0.075 0.000 1.917 172 A HA -0.192 4.129 4.320 0.001 0.000 0.219 172 A C 2.356 179.927 177.584 -0.021 0.000 1.182 172 A CA 1.946 54.007 52.037 0.040 0.000 0.633 172 A CB -1.658 17.421 19.000 0.131 0.000 0.819 172 A HN 0.549 nan 8.150 nan 0.000 0.448 173 G N -1.456 107.436 108.800 0.152 0.000 2.421 173 G HA2 -0.301 3.660 3.960 0.001 0.000 0.216 173 G HA3 -0.301 3.660 3.960 0.001 0.000 0.216 173 G C 1.480 176.421 174.900 0.068 0.000 1.171 173 G CA 1.477 46.659 45.100 0.138 0.000 0.775 173 G HN 0.769 nan 8.290 nan 0.000 0.543 174 H N 0.646 119.737 119.070 0.036 0.000 2.352 174 H HA 0.049 4.606 4.556 0.001 0.000 0.299 174 H C 2.224 177.532 175.328 -0.032 0.000 1.097 174 H CA 1.394 57.441 56.048 -0.001 0.000 1.311 174 H CB -0.290 29.464 29.762 -0.013 0.000 1.377 174 H HN 0.282 nan 8.280 nan 0.000 0.504 175 L N 0.177 121.282 121.223 -0.197 0.000 2.599 175 L HA 0.049 4.390 4.340 0.001 0.000 0.230 175 L C 0.462 177.260 176.870 -0.120 0.000 1.141 175 L CA 0.384 55.107 54.840 -0.195 0.000 0.877 175 L CB -0.132 41.947 42.059 0.034 0.000 1.009 175 L HN 0.231 nan 8.230 nan 0.000 0.447 176 K N 0.768 121.085 120.400 -0.139 0.000 3.150 176 K HA -0.174 4.147 4.320 0.001 0.000 0.267 176 K C -0.341 176.206 176.600 -0.089 0.000 1.028 176 K CA 0.298 56.519 56.287 -0.111 0.000 0.753 176 K CB -1.692 30.745 32.500 -0.105 0.000 1.288 176 K HN 0.290 nan 8.250 nan 0.000 0.473 177 L N 0.671 121.793 121.223 -0.168 0.000 2.387 177 L HA 0.086 4.427 4.340 0.001 0.000 0.267 177 L C 1.896 178.622 176.870 -0.239 0.000 1.197 177 L CA 0.074 54.794 54.840 -0.200 0.000 1.070 177 L CB 0.334 42.269 42.059 -0.206 0.000 1.349 177 L HN 0.490 nan 8.230 nan 0.000 0.422 178 G N 1.390 110.087 108.800 -0.172 0.000 2.470 178 G HA2 -0.236 3.725 3.960 0.001 0.000 0.220 178 G HA3 -0.236 3.725 3.960 0.001 0.000 0.220 178 G C 1.142 175.989 174.900 -0.089 0.000 1.121 178 G CA 0.310 45.336 45.100 -0.124 0.000 0.766 178 G HN 0.508 nan 8.290 nan 0.000 0.553 179 N N -0.581 118.025 118.700 -0.158 0.000 2.322 179 N HA 0.132 4.873 4.740 0.001 0.000 0.194 179 N C -0.084 175.363 175.510 -0.105 0.000 1.126 179 N CA -0.191 52.775 53.050 -0.140 0.000 0.845 179 N CB 0.324 38.566 38.487 -0.408 0.000 0.976 179 N HN 0.268 nan 8.380 nan 0.000 0.475 180 L N 1.235 122.362 121.223 -0.160 0.000 2.257 180 L HA 0.486 4.827 4.340 0.001 0.000 0.290 180 L C -0.865 175.941 176.870 -0.106 0.000 1.044 180 L CA -0.174 54.570 54.840 -0.160 0.000 0.810 180 L CB 0.386 42.309 42.059 -0.226 0.000 1.193 180 L HN -0.052 nan 8.230 nan 0.000 0.425 181 I N 5.499 126.061 120.570 -0.013 0.000 2.410 181 I HA 0.639 4.810 4.170 0.001 0.000 0.286 181 I C -0.305 175.958 176.117 0.243 0.000 1.009 181 I CA -0.387 60.987 61.300 0.123 0.000 1.111 181 I CB 1.746 39.844 38.000 0.162 0.000 1.262 181 I HN 0.758 nan 8.210 nan 0.000 0.443 182 A N 7.752 130.746 122.820 0.290 0.000 2.331 182 A HA 0.837 5.158 4.320 0.001 0.000 0.320 182 A C -0.702 177.023 177.584 0.234 0.000 1.138 182 A CA -0.473 51.737 52.037 0.289 0.000 0.790 182 A CB 0.858 20.042 19.000 0.306 0.000 1.206 182 A HN 0.667 nan 8.150 nan 0.000 0.470 183 I N 2.894 123.610 120.570 0.244 0.000 2.354 183 I HA 0.171 4.342 4.170 0.001 0.000 0.286 183 I C -1.002 175.163 176.117 0.080 0.000 1.007 183 I CA -0.596 60.782 61.300 0.129 0.000 1.167 183 I CB 1.176 39.231 38.000 0.092 0.000 1.320 183 I HN 0.703 nan 8.210 nan 0.000 0.458 184 Y N 6.394 126.640 120.300 -0.091 0.000 2.452 184 Y HA 0.153 4.704 4.550 0.001 0.000 0.348 184 Y C 0.263 176.098 175.900 -0.107 0.000 0.985 184 Y CA -1.354 56.686 58.100 -0.101 0.000 1.214 184 Y CB 0.443 38.829 38.460 -0.124 0.000 1.136 184 Y HN 0.507 nan 8.280 nan 0.000 0.523 185 D N 4.817 125.216 120.400 -0.000 0.000 2.489 185 D HA -0.025 4.616 4.640 0.001 0.000 0.237 185 D C -0.684 175.416 176.300 -0.333 0.000 1.212 185 D CA 0.046 53.943 54.000 -0.171 0.000 1.058 185 D CB -0.459 40.303 40.800 -0.064 0.000 1.098 185 D HN 0.529 nan 8.370 nan 0.000 0.509 186 D N 2.420 122.427 120.400 -0.656 0.000 2.545 186 D HA -0.029 4.612 4.640 0.001 0.000 0.227 186 D C 0.468 176.632 176.300 -0.227 0.000 1.150 186 D CA -0.268 53.334 54.000 -0.663 0.000 1.046 186 D CB -0.345 40.012 40.800 -0.739 0.000 1.098 186 D HN 0.334 nan 8.370 nan 0.000 0.502 187 N N 1.710 120.361 118.700 -0.082 0.000 2.203 187 N HA 0.019 4.760 4.740 0.001 0.000 0.207 187 N C 0.395 175.926 175.510 0.036 0.000 1.130 187 N CA -0.353 52.692 53.050 -0.009 0.000 0.861 187 N CB 0.327 38.835 38.487 0.033 0.000 1.005 187 N HN 0.073 nan 8.380 nan 0.000 0.507 188 K N -1.140 119.291 120.400 0.053 0.000 3.529 188 K HA -0.095 4.226 4.320 0.001 0.000 0.313 188 K C -0.891 175.754 176.600 0.075 0.000 1.316 188 K CA 0.799 57.127 56.287 0.068 0.000 0.988 188 K CB -1.165 31.361 32.500 0.043 0.000 1.252 188 K HN 0.364 nan 8.250 nan 0.000 0.438 189 I N 0.798 121.419 120.570 0.084 0.000 2.545 189 I HA 0.352 4.523 4.170 0.001 0.000 0.292 189 I C 0.831 176.978 176.117 0.049 0.000 1.040 189 I CA -0.266 61.076 61.300 0.070 0.000 1.068 189 I CB 1.924 39.991 38.000 0.111 0.000 1.251 189 I HN 0.279 nan 8.210 nan 0.000 0.424 190 T N 2.689 117.229 114.554 -0.024 0.000 2.676 190 T HA 0.574 4.925 4.350 0.001 0.000 0.269 190 T C 1.434 176.009 174.700 -0.209 0.000 0.952 190 T CA -0.622 61.415 62.100 -0.104 0.000 1.040 190 T CB 1.109 69.918 68.868 -0.099 0.000 1.352 190 T HN 0.337 nan 8.240 nan 0.000 0.554 191 I N 0.641 121.017 120.570 -0.324 0.000 2.208 191 I HA -0.124 4.047 4.170 0.001 0.000 0.245 191 I C 1.536 177.580 176.117 -0.121 0.000 1.097 191 I CA 1.592 62.730 61.300 -0.269 0.000 1.363 191 I CB -0.368 37.486 38.000 -0.244 0.000 1.051 191 I HN 0.606 nan 8.210 nan 0.000 0.413 192 D N 0.568 120.872 120.400 -0.161 0.000 2.363 192 D HA 0.162 4.803 4.640 0.001 0.000 0.226 192 D C 0.881 176.929 176.300 -0.419 0.000 1.020 192 D CA 0.910 54.800 54.000 -0.185 0.000 0.892 192 D CB 0.261 40.993 40.800 -0.113 0.000 0.900 192 D HN 0.537 nan 8.370 nan 0.000 0.531 193 G N -0.170 108.255 108.800 -0.625 0.000 2.250 193 G HA2 0.143 4.104 3.960 0.001 0.000 0.196 193 G HA3 0.143 4.104 3.960 0.001 0.000 0.196 193 G C -0.726 174.008 174.900 -0.276 0.000 1.308 193 G CA -0.335 44.284 45.100 -0.800 0.000 1.207 193 G HN 0.343 nan 8.290 nan 0.000 0.505 194 A N 0.116 122.846 122.820 -0.150 0.000 2.477 194 A HA 0.565 4.886 4.320 0.001 0.000 0.246 194 A C 1.837 179.418 177.584 -0.004 0.000 1.078 194 A CA 1.550 53.564 52.037 -0.038 0.000 0.770 194 A CB 0.149 19.141 19.000 -0.012 0.000 1.011 194 A HN 2.204 nan 8.150 nan 0.000 0.494 195 T N -0.222 114.364 114.554 0.053 0.000 2.929 195 T HA -0.175 4.176 4.350 0.001 0.000 0.271 195 T C 1.768 176.528 174.700 0.101 0.000 1.085 195 T CA 1.581 63.757 62.100 0.127 0.000 1.125 195 T CB -0.715 68.307 68.868 0.257 0.000 0.874 195 T HN 1.140 nan 8.240 nan 0.000 0.494 196 S N 1.464 117.191 115.700 0.045 0.000 2.419 196 S HA -0.084 4.387 4.470 0.001 0.000 0.235 196 S C 1.837 176.450 174.600 0.021 0.000 1.019 196 S CA 0.614 58.827 58.200 0.021 0.000 0.982 196 S CB -0.839 62.364 63.200 0.005 0.000 0.789 196 S HN 0.343 nan 8.310 nan 0.000 0.490 197 I N 2.539 123.119 120.570 0.017 0.000 2.335 197 I HA -0.114 4.057 4.170 0.001 0.000 0.251 197 I C 2.212 178.343 176.117 0.025 0.000 1.129 197 I CA 1.478 62.783 61.300 0.008 0.000 1.402 197 I CB -0.319 37.670 38.000 -0.019 0.000 1.069 197 I HN 0.680 nan 8.210 nan 0.000 0.424 198 S N -3.045 112.691 115.700 0.060 0.000 2.800 198 S HA 0.210 4.681 4.470 0.001 0.000 0.266 198 S C 0.172 174.883 174.600 0.185 0.000 1.029 198 S CA -0.469 57.782 58.200 0.084 0.000 1.302 198 S CB -0.145 63.087 63.200 0.054 0.000 1.212 198 S HN 0.089 nan 8.310 nan 0.000 0.683 199 F N 3.832 123.777 119.950 -0.008 0.000 3.050 199 F HA 0.438 4.966 4.527 0.001 0.000 0.382 199 F C -1.147 174.661 175.800 0.013 0.000 1.246 199 F CA -1.329 56.672 58.000 0.002 0.000 1.217 199 F CB 1.120 40.124 39.000 0.007 0.000 1.795 199 F HN 0.149 nan 8.300 nan 0.000 0.622 200 D N 1.207 121.492 120.400 -0.193 0.000 2.538 200 D HA 0.067 4.708 4.640 0.001 0.000 0.231 200 D C 0.203 176.339 176.300 -0.273 0.000 1.229 200 D CA -0.201 53.661 54.000 -0.230 0.000 0.828 200 D CB -0.296 40.447 40.800 -0.095 0.000 1.035 200 D HN 0.642 nan 8.370 nan 0.000 0.495 201 E N -0.134 119.820 120.200 -0.410 0.000 2.409 201 E HA 0.077 4.428 4.350 0.001 0.000 0.257 201 E C -0.420 176.039 176.600 -0.234 0.000 1.150 201 E CA -0.612 55.626 56.400 -0.270 0.000 0.942 201 E CB 0.601 30.175 29.700 -0.211 0.000 0.979 201 E HN -0.177 nan 8.360 nan 0.000 0.447 202 D N 2.057 122.381 120.400 -0.126 0.000 2.483 202 D HA 0.051 4.692 4.640 0.001 0.000 0.220 202 D C 0.763 177.039 176.300 -0.039 0.000 1.173 202 D CA -0.380 53.578 54.000 -0.070 0.000 0.964 202 D CB 0.798 41.573 40.800 -0.042 0.000 1.046 202 D HN 0.369 nan 8.370 nan 0.000 0.517 203 V N 3.886 123.786 119.914 -0.022 0.000 2.282 203 V HA -0.318 3.803 4.120 0.001 0.000 0.249 203 V C 2.521 178.680 176.094 0.109 0.000 1.057 203 V CA 2.263 64.597 62.300 0.057 0.000 1.032 203 V CB -0.824 31.044 31.823 0.075 0.000 0.645 203 V HN 0.637 nan 8.190 nan 0.000 0.447 204 A N -0.411 122.472 122.820 0.105 0.000 1.883 204 A HA -0.299 4.021 4.320 0.001 0.000 0.217 204 A C 2.385 180.025 177.584 0.093 0.000 1.186 204 A CA 2.361 54.469 52.037 0.119 0.000 0.624 204 A CB -0.544 18.590 19.000 0.224 0.000 0.822 204 A HN 0.532 nan 8.150 nan 0.000 0.444 205 K N -0.649 119.783 120.400 0.053 0.000 2.057 205 K HA -0.159 4.161 4.320 0.001 0.000 0.206 205 K C 2.362 178.909 176.600 -0.087 0.000 1.050 205 K CA 1.409 57.695 56.287 -0.001 0.000 0.935 205 K CB -0.197 32.296 32.500 -0.012 0.000 0.715 205 K HN 0.443 nan 8.250 nan 0.000 0.439 206 R N -0.580 119.844 120.500 -0.127 0.000 2.083 206 R HA -0.179 4.162 4.340 0.001 0.000 0.237 206 R C 2.077 178.022 176.300 -0.593 0.000 1.137 206 R CA 1.785 57.679 56.100 -0.343 0.000 0.951 206 R CB -0.324 29.821 30.300 -0.258 0.000 0.851 206 R HN 0.247 nan 8.270 nan 0.000 0.434 207 Y N 0.877 120.965 120.300 -0.354 0.000 2.242 207 Y HA -0.132 4.419 4.550 0.002 0.000 0.291 207 Y C 2.186 178.036 175.900 -0.084 0.000 1.137 207 Y CA 1.653 59.572 58.100 -0.300 0.000 1.181 207 Y CB 0.022 38.321 38.460 -0.268 0.000 0.989 207 Y HN 0.215 nan 8.280 nan 0.000 0.527 208 E N -0.392 119.847 120.200 0.064 0.000 2.085 208 E HA -0.244 4.106 4.350 0.001 0.000 0.194 208 E C 2.388 178.994 176.600 0.011 0.000 0.994 208 E CA 0.962 57.411 56.400 0.081 0.000 0.801 208 E CB -0.295 29.446 29.700 0.069 0.000 0.743 208 E HN 0.466 nan 8.360 nan 0.000 0.453 209 A N 0.711 123.457 122.820 -0.122 0.000 1.978 209 A HA -0.192 4.129 4.320 0.001 0.000 0.220 209 A C 1.612 179.158 177.584 -0.063 0.000 1.170 209 A CA 1.254 53.210 52.037 -0.135 0.000 0.636 209 A CB -0.684 18.171 19.000 -0.242 0.000 0.810 209 A HN 0.271 nan 8.150 nan 0.000 0.448 210 Y N -1.043 119.251 120.300 -0.009 0.000 2.571 210 Y HA 0.279 4.830 4.550 0.001 0.000 0.294 210 Y C 2.000 178.020 175.900 0.199 0.000 1.141 210 Y CA 0.196 58.331 58.100 0.058 0.000 1.308 210 Y CB -0.500 37.960 38.460 -0.000 0.000 1.002 210 Y HN 0.466 nan 8.280 nan 0.000 0.551 211 G N -2.860 106.145 108.800 0.342 0.000 2.168 211 G HA2 -0.211 3.749 3.960 0.001 0.000 0.197 211 G HA3 -0.211 3.749 3.960 0.001 0.000 0.197 211 G C -0.360 174.737 174.900 0.328 0.000 0.997 211 G CA -0.603 44.656 45.100 0.265 0.000 0.658 211 G HN 0.135 nan 8.290 nan 0.000 0.513 212 W N 1.220 122.607 121.300 0.144 0.000 2.375 212 W HA 0.645 5.306 4.660 0.001 0.000 0.336 212 W C 0.634 177.222 176.519 0.114 0.000 1.160 212 W CA -1.055 56.385 57.345 0.158 0.000 1.266 212 W CB 0.678 30.310 29.460 0.287 0.000 1.195 212 W HN 0.255 nan 8.180 nan 0.000 0.599 213 E N 1.255 121.635 120.200 0.300 0.000 2.313 213 E HA 0.375 4.726 4.350 0.001 0.000 0.276 213 E C -1.245 175.470 176.600 0.191 0.000 1.031 213 E CA -0.231 56.285 56.400 0.195 0.000 0.857 213 E CB 0.843 30.615 29.700 0.121 0.000 1.040 213 E HN 0.222 nan 8.360 nan 0.000 0.408 214 V N 6.197 126.164 119.914 0.089 0.000 2.459 214 V HA 0.396 4.517 4.120 0.001 0.000 0.295 214 V C -0.012 175.939 176.094 -0.238 0.000 1.029 214 V CA -0.657 61.596 62.300 -0.078 0.000 0.874 214 V CB 1.241 32.991 31.823 -0.122 0.000 0.985 214 V HN 0.654 nan 8.190 nan 0.000 0.438 215 L N 4.294 125.323 121.223 -0.324 0.000 2.301 215 L HA 0.704 5.045 4.340 0.001 0.000 0.264 215 L C -1.423 175.152 176.870 -0.493 0.000 1.016 215 L CA -0.831 53.848 54.840 -0.269 0.000 0.821 215 L CB 2.241 44.276 42.059 -0.040 0.000 1.346 215 L HN 0.510 nan 8.230 nan 0.000 0.429 216 Y N -0.099 120.223 120.300 0.037 0.000 2.477 216 Y HA 0.612 5.163 4.550 0.001 0.000 0.347 216 Y C -0.490 175.412 175.900 0.004 0.000 0.981 216 Y CA -0.996 57.113 58.100 0.015 0.000 1.033 216 Y CB 2.165 40.630 38.460 0.008 0.000 1.245 216 Y HN 0.022 nan 8.280 nan 0.000 0.455 217 V N 2.617 122.602 119.914 0.119 0.000 2.398 217 V HA 0.153 4.274 4.120 0.001 0.000 0.282 217 V C 0.473 176.586 176.094 0.031 0.000 1.014 217 V CA -0.803 61.530 62.300 0.055 0.000 0.838 217 V CB 1.371 33.199 31.823 0.008 0.000 1.018 217 V HN 0.939 nan 8.190 nan 0.000 0.432 218 E N 3.906 124.125 120.200 0.032 0.000 2.208 218 E HA -0.113 4.238 4.350 0.001 0.000 0.193 218 E C 0.865 177.452 176.600 -0.021 0.000 0.988 218 E CA 1.187 57.591 56.400 0.005 0.000 0.828 218 E CB 0.200 29.901 29.700 0.002 0.000 0.763 218 E HN 0.547 nan 8.360 nan 0.000 0.478 219 N N 0.064 118.747 118.700 -0.028 0.000 2.696 219 N HA 0.218 4.959 4.740 0.001 0.000 0.246 219 N C 0.135 175.596 175.510 -0.082 0.000 1.057 219 N CA 0.025 53.044 53.050 -0.052 0.000 0.867 219 N CB 1.176 39.639 38.487 -0.040 0.000 1.141 219 N HN 0.205 nan 8.380 nan 0.000 0.517 220 G N 1.867 110.604 108.800 -0.105 0.000 2.623 220 G HA2 -0.135 3.826 3.960 0.001 0.000 0.214 220 G HA3 -0.135 3.826 3.960 0.001 0.000 0.214 220 G C 1.183 175.965 174.900 -0.196 0.000 1.138 220 G CA -0.023 44.996 45.100 -0.136 0.000 0.794 220 G HN 0.447 nan 8.290 nan 0.000 0.535 221 N N 0.885 119.437 118.700 -0.247 0.000 2.289 221 N HA -0.031 4.710 4.740 0.001 0.000 0.184 221 N C 1.440 176.671 175.510 -0.464 0.000 1.016 221 N CA 1.252 54.020 53.050 -0.471 0.000 0.872 221 N CB 0.079 38.216 38.487 -0.584 0.000 0.973 221 N HN 0.537 nan 8.380 nan 0.000 0.433 222 E N -1.699 118.344 120.200 -0.263 0.000 2.626 222 E HA 0.051 4.402 4.350 0.001 0.000 0.198 222 E C -0.815 175.711 176.600 -0.123 0.000 0.943 222 E CA -0.178 56.110 56.400 -0.186 0.000 1.515 222 E CB 0.437 30.066 29.700 -0.118 0.000 1.677 222 E HN -0.015 nan 8.360 nan 0.000 0.897 223 D N 1.647 121.987 120.400 -0.100 0.000 2.517 223 D HA 0.130 4.771 4.640 0.001 0.000 0.220 223 D C 0.949 177.209 176.300 -0.068 0.000 1.158 223 D CA 0.047 54.014 54.000 -0.056 0.000 0.992 223 D CB 0.288 41.072 40.800 -0.026 0.000 1.058 223 D HN 0.096 nan 8.370 nan 0.000 0.516 224 L N 2.000 123.154 121.223 -0.115 0.000 2.042 224 L HA -0.171 4.170 4.340 0.001 0.000 0.210 224 L C 2.389 179.245 176.870 -0.023 0.000 1.076 224 L CA 1.313 56.005 54.840 -0.247 0.000 0.749 224 L CB -0.560 41.136 42.059 -0.604 0.000 0.893 224 L HN 0.374 nan 8.230 nan 0.000 0.432 225 A N 0.535 123.474 122.820 0.199 0.000 1.902 225 A HA -0.116 4.205 4.320 0.001 0.000 0.217 225 A C 2.428 180.109 177.584 0.162 0.000 1.181 225 A CA 1.773 53.986 52.037 0.293 0.000 0.623 225 A CB -1.230 17.893 19.000 0.204 0.000 0.818 225 A HN 0.445 nan 8.150 nan 0.000 0.443 226 G N 0.120 108.974 108.800 0.091 0.000 2.421 226 G HA2 -0.189 3.772 3.960 0.001 0.000 0.216 226 G HA3 -0.189 3.772 3.960 0.001 0.000 0.216 226 G C 1.529 176.462 174.900 0.056 0.000 1.171 226 G CA 1.118 46.256 45.100 0.062 0.000 0.775 226 G HN 0.482 nan 8.290 nan 0.000 0.543 227 I N 1.503 122.092 120.570 0.031 0.000 2.163 227 I HA -0.220 3.950 4.170 0.001 0.000 0.243 227 I C 3.293 179.450 176.117 0.067 0.000 1.085 227 I CA 1.099 62.414 61.300 0.025 0.000 1.347 227 I CB -0.289 37.696 38.000 -0.025 0.000 1.044 227 I HN 0.248 nan 8.210 nan 0.000 0.408 228 A N 0.746 123.642 122.820 0.126 0.000 1.972 228 A HA -0.258 4.062 4.320 0.001 0.000 0.219 228 A C 2.329 179.979 177.584 0.111 0.000 1.169 228 A CA 2.002 54.140 52.037 0.168 0.000 0.635 228 A CB -0.471 18.727 19.000 0.330 0.000 0.810 228 A HN 0.360 nan 8.150 nan 0.000 0.446 229 K N -0.121 120.340 120.400 0.101 0.000 2.097 229 K HA 0.027 4.348 4.320 0.001 0.000 0.205 229 K C 2.032 178.670 176.600 0.064 0.000 1.050 229 K CA 1.321 57.653 56.287 0.074 0.000 0.938 229 K CB -0.361 32.182 32.500 0.072 0.000 0.718 229 K HN 0.317 nan 8.250 nan 0.000 0.442 230 A N 0.937 123.796 122.820 0.065 0.000 1.877 230 A HA -0.104 4.217 4.320 0.001 0.000 0.216 230 A C 2.133 179.754 177.584 0.062 0.000 1.186 230 A CA 1.603 53.675 52.037 0.060 0.000 0.620 230 A CB -0.636 18.396 19.000 0.053 0.000 0.822 230 A HN 0.346 nan 8.150 nan 0.000 0.443 231 I N -0.185 120.424 120.570 0.065 0.000 2.226 231 I HA -0.280 3.891 4.170 0.001 0.000 0.245 231 I C 2.960 179.098 176.117 0.035 0.000 1.100 231 I CA 1.050 62.390 61.300 0.066 0.000 1.374 231 I CB -0.337 37.693 38.000 0.050 0.000 1.057 231 I HN 0.357 nan 8.210 nan 0.000 0.413 232 A N -0.016 122.824 122.820 0.033 0.000 1.902 232 A HA -0.287 4.034 4.320 0.001 0.000 0.217 232 A C 2.319 179.918 177.584 0.024 0.000 1.181 232 A CA 1.827 53.876 52.037 0.019 0.000 0.623 232 A CB -0.701 18.317 19.000 0.030 0.000 0.818 232 A HN 0.484 nan 8.150 nan 0.000 0.443 233 Q N -0.778 119.045 119.800 0.038 0.000 2.119 233 Q HA -0.094 4.246 4.340 0.001 0.000 0.201 233 Q C 2.212 178.238 176.000 0.043 0.000 0.972 233 Q CA 1.340 57.169 55.803 0.042 0.000 0.847 233 Q CB -0.329 28.439 28.738 0.050 0.000 0.903 233 Q HN 0.636 nan 8.270 nan 0.000 0.433 234 A N 1.298 124.145 122.820 0.045 0.000 1.940 234 A HA -0.199 4.121 4.320 0.001 0.000 0.219 234 A C 1.808 179.412 177.584 0.034 0.000 1.176 234 A CA 1.564 53.630 52.037 0.049 0.000 0.631 234 A CB -0.381 18.661 19.000 0.069 0.000 0.814 234 A HN 0.285 nan 8.150 nan 0.000 0.446 235 K N -0.264 120.132 120.400 -0.007 0.000 2.515 235 K HA 0.032 4.353 4.320 0.001 0.000 0.196 235 K C 1.351 178.003 176.600 0.086 0.000 1.038 235 K CA 0.739 57.020 56.287 -0.010 0.000 0.967 235 K CB -0.273 32.134 32.500 -0.155 0.000 0.780 235 K HN 0.534 nan 8.250 nan 0.000 0.483 236 L N 1.052 122.310 121.223 0.058 0.000 2.375 236 L HA -0.028 4.312 4.340 0.001 0.000 0.215 236 L C 1.519 178.421 176.870 0.052 0.000 1.108 236 L CA 0.180 55.055 54.840 0.058 0.000 0.830 236 L CB -0.342 41.745 42.059 0.046 0.000 0.959 236 L HN 0.058 nan 8.230 nan 0.000 0.457 237 S N 1.037 116.766 115.700 0.049 0.000 3.571 237 S HA -0.097 4.374 4.470 0.001 0.000 0.202 237 S C 1.257 175.868 174.600 0.019 0.000 1.004 237 S CA -0.107 58.112 58.200 0.032 0.000 1.098 237 S CB -0.567 62.648 63.200 0.024 0.000 1.389 237 S HN 0.350 nan 8.310 nan 0.000 0.452 238 K N 1.605 122.017 120.400 0.020 0.000 2.209 238 K HA -0.098 4.223 4.320 0.001 0.000 0.204 238 K C 1.000 177.588 176.600 -0.021 0.000 1.048 238 K CA 1.465 57.755 56.287 0.005 0.000 0.940 238 K CB -0.457 32.048 32.500 0.009 0.000 0.729 238 K HN 0.702 nan 8.250 nan 0.000 0.451 239 D N -0.246 120.141 120.400 -0.023 0.000 2.535 239 D HA 0.104 4.745 4.640 0.001 0.000 0.229 239 D C -0.572 175.693 176.300 -0.057 0.000 1.238 239 D CA -0.380 53.598 54.000 -0.037 0.000 0.824 239 D CB 0.214 40.996 40.800 -0.030 0.000 1.045 239 D HN 0.039 nan 8.370 nan 0.000 0.500 240 K N 1.391 121.749 120.400 -0.069 0.000 2.535 240 K HA 0.374 4.695 4.320 0.001 0.000 0.250 240 K C -2.923 173.564 176.600 -0.190 0.000 0.948 240 K CA -1.793 54.437 56.287 -0.095 0.000 0.796 240 K CB 3.094 35.584 32.500 -0.017 0.000 1.216 240 K HN -0.108 nan 8.250 nan 0.000 0.432 241 P HA 0.039 nan 4.420 nan 0.000 0.270 241 P C -0.699 176.417 177.300 -0.307 0.000 1.223 241 P CA -0.175 62.541 63.100 -0.641 0.000 0.785 241 P CB 0.609 31.404 31.700 -1.509 0.000 0.923 242 T N 1.998 116.498 114.554 -0.089 0.000 2.812 242 T HA 0.427 4.778 4.350 0.001 0.000 0.282 242 T C -0.426 174.508 174.700 0.391 0.000 0.990 242 T CA -0.357 61.858 62.100 0.191 0.000 0.960 242 T CB 0.712 69.641 68.868 0.102 0.000 0.948 242 T HN 0.223 nan 8.240 nan 0.000 0.438 243 L N 4.715 126.201 121.223 0.438 0.000 2.282 243 L HA 0.632 4.973 4.340 0.001 0.000 0.288 243 L C -0.945 175.947 176.870 0.037 0.000 1.033 243 L CA -0.445 54.511 54.840 0.193 0.000 0.807 243 L CB 0.499 42.477 42.059 -0.135 0.000 1.209 243 L HN 0.646 nan 8.230 nan 0.000 0.423 244 I N 5.573 126.166 120.570 0.039 0.000 2.306 244 I HA 0.258 4.428 4.170 0.001 0.000 0.288 244 I C 0.048 176.148 176.117 -0.030 0.000 1.036 244 I CA -0.456 60.835 61.300 -0.014 0.000 1.221 244 I CB 0.797 38.820 38.000 0.039 0.000 1.385 244 I HN 0.573 nan 8.210 nan 0.000 0.472 245 K N 8.424 128.762 120.400 -0.104 0.000 2.292 245 K HA 0.326 4.647 4.320 0.001 0.000 0.290 245 K C -0.533 176.015 176.600 -0.087 0.000 1.083 245 K CA -0.262 55.987 56.287 -0.063 0.000 0.918 245 K CB 0.528 33.013 32.500 -0.026 0.000 1.089 245 K HN 0.573 nan 8.250 nan 0.000 0.473 246 M N 4.552 124.053 119.600 -0.166 0.000 2.043 246 M HA 0.193 4.674 4.480 0.001 0.000 0.322 246 M C -1.034 175.144 176.300 -0.204 0.000 0.962 246 M CA -0.319 54.894 55.300 -0.145 0.000 0.927 246 M CB 1.366 33.883 32.600 -0.138 0.000 1.466 246 M HN 0.364 nan 8.290 nan 0.000 0.412 247 T N 3.858 118.328 114.554 -0.140 0.000 2.834 247 T HA 0.391 4.741 4.350 0.001 0.000 0.298 247 T C 0.276 174.909 174.700 -0.112 0.000 0.966 247 T CA -0.019 62.001 62.100 -0.132 0.000 1.141 247 T CB 0.458 69.281 68.868 -0.075 0.000 0.905 247 T HN 0.800 nan 8.240 nan 0.000 0.535 248 T N -0.237 114.256 114.554 -0.103 0.000 2.838 248 T HA 0.632 4.982 4.350 0.001 0.000 0.292 248 T C -0.673 174.018 174.700 -0.015 0.000 1.113 248 T CA -0.921 61.133 62.100 -0.077 0.000 1.008 248 T CB 1.716 70.529 68.868 -0.092 0.000 1.259 248 T HN 0.319 nan 8.240 nan 0.000 0.520 249 T N 1.808 116.385 114.554 0.038 0.000 2.770 249 T HA 0.479 4.830 4.350 0.001 0.000 0.283 249 T C 0.273 175.045 174.700 0.120 0.000 0.988 249 T CA -0.536 61.623 62.100 0.099 0.000 0.957 249 T CB 0.573 69.544 68.868 0.171 0.000 0.930 249 T HN 0.749 nan 8.240 nan 0.000 0.443 250 I N 2.914 123.547 120.570 0.105 0.000 2.826 250 I HA 0.238 4.409 4.170 0.001 0.000 0.295 250 I C 1.249 177.444 176.117 0.130 0.000 1.213 250 I CA 1.329 62.702 61.300 0.121 0.000 1.436 250 I CB 0.071 38.153 38.000 0.137 0.000 1.348 250 I HN 1.000 nan 8.210 nan 0.000 0.570 251 G N 5.070 113.948 108.800 0.130 0.000 2.225 251 G HA2 -0.362 3.599 3.960 0.001 0.000 0.267 251 G HA3 -0.362 3.599 3.960 0.001 0.000 0.267 251 G C 0.166 175.142 174.900 0.127 0.000 1.024 251 G CA 0.315 45.484 45.100 0.116 0.000 0.784 251 G HN 0.873 nan 8.290 nan 0.000 0.507 252 Y N 0.143 120.469 120.300 0.044 0.000 2.944 252 Y HA 0.216 4.766 4.550 0.001 0.000 0.340 252 Y C 1.686 177.643 175.900 0.095 0.000 1.275 252 Y CA 1.973 60.105 58.100 0.053 0.000 1.590 252 Y CB 0.149 38.639 38.460 0.051 0.000 1.218 252 Y HN 1.342 nan 8.280 nan 0.000 0.576 253 G N 2.831 111.310 108.800 -0.534 0.000 2.279 253 G HA2 -0.292 3.669 3.960 0.001 0.000 0.223 253 G HA3 -0.292 3.669 3.960 0.001 0.000 0.223 253 G C 0.351 175.067 174.900 -0.305 0.000 1.015 253 G CA 0.123 44.967 45.100 -0.427 0.000 0.621 253 G HN 1.091 nan 8.290 nan 0.000 0.506 254 S N 0.410 116.006 115.700 -0.173 0.000 2.585 254 S HA 0.490 4.961 4.470 0.001 0.000 0.273 254 S C 1.686 176.152 174.600 -0.224 0.000 1.339 254 S CA 0.056 58.167 58.200 -0.148 0.000 1.028 254 S CB 0.918 64.094 63.200 -0.040 0.000 0.906 254 S HN 0.661 nan 8.310 nan 0.000 0.528 255 L N 3.066 124.107 121.223 -0.303 0.000 2.351 255 L HA -0.011 4.330 4.340 0.001 0.000 0.220 255 L C 0.962 177.386 176.870 -0.742 0.000 1.127 255 L CA 1.885 56.415 54.840 -0.517 0.000 0.786 255 L CB -1.160 40.532 42.059 -0.612 0.000 0.914 255 L HN 0.819 nan 8.230 nan 0.000 0.443 256 H N -2.338 116.702 119.070 -0.050 0.000 2.575 256 H HA 0.525 5.082 4.556 0.001 0.000 0.256 256 H C 0.667 175.987 175.328 -0.012 0.000 1.162 256 H CA -0.037 55.993 56.048 -0.031 0.000 0.969 256 H CB 0.061 29.805 29.762 -0.031 0.000 1.796 256 H HN 0.144 nan 8.280 nan 0.000 0.607 257 A N 0.749 123.573 122.820 0.006 0.000 2.531 257 A HA 0.396 4.717 4.320 0.001 0.000 0.236 257 A C 1.700 179.318 177.584 0.058 0.000 1.062 257 A CA 0.872 52.926 52.037 0.030 0.000 0.760 257 A CB -0.502 18.481 19.000 -0.028 0.000 0.995 257 A HN 0.833 nan 8.150 nan 0.000 0.501 258 G N 0.470 109.322 108.800 0.087 0.000 2.179 258 G HA2 -0.162 3.799 3.960 0.001 0.000 0.260 258 G HA3 -0.162 3.799 3.960 0.001 0.000 0.260 258 G C 0.483 175.448 174.900 0.108 0.000 0.977 258 G CA 0.811 45.965 45.100 0.090 0.000 0.641 258 G HN 1.847 nan 8.290 nan 0.000 0.533 259 S N -0.735 115.035 115.700 0.116 0.000 2.549 259 S HA 0.585 5.056 4.470 0.001 0.000 0.297 259 S C 1.368 176.056 174.600 0.147 0.000 1.115 259 S CA 0.441 58.716 58.200 0.125 0.000 1.059 259 S CB 0.701 63.941 63.200 0.068 0.000 1.046 259 S HN 0.766 nan 8.310 nan 0.000 0.506 260 H N 1.865 120.973 119.070 0.063 0.000 2.559 260 H HA 0.103 4.660 4.556 0.001 0.000 0.273 260 H C 1.852 177.234 175.328 0.090 0.000 1.000 260 H CA 0.989 57.082 56.048 0.075 0.000 1.195 260 H CB -0.124 29.653 29.762 0.025 0.000 1.368 260 H HN 0.521 nan 8.280 nan 0.000 0.592 261 S N 0.461 116.001 115.700 -0.267 0.000 2.442 261 S HA -0.107 4.363 4.470 0.001 0.000 0.236 261 S C 1.766 176.343 174.600 -0.039 0.000 1.007 261 S CA 0.866 58.951 58.200 -0.191 0.000 0.965 261 S CB -0.553 62.508 63.200 -0.232 0.000 0.773 261 S HN 0.310 nan 8.310 nan 0.000 0.504 262 V N 1.605 121.542 119.914 0.038 0.000 3.633 262 V HA 0.097 4.218 4.120 0.001 0.000 0.283 262 V C 2.055 178.221 176.094 0.120 0.000 1.305 262 V CA 0.941 63.287 62.300 0.077 0.000 1.153 262 V CB -0.960 30.923 31.823 0.100 0.000 0.950 262 V HN 0.710 nan 8.190 nan 0.000 0.432 263 H N 1.249 120.366 119.070 0.079 0.000 2.307 263 H HA 0.052 4.609 4.556 0.001 0.000 0.303 263 H C 1.766 177.189 175.328 0.158 0.000 1.073 263 H CA 1.977 58.099 56.048 0.124 0.000 1.338 263 H CB 0.142 29.974 29.762 0.117 0.000 1.389 263 H HN 0.350 nan 8.280 nan 0.000 0.503 264 G N -1.165 107.596 108.800 -0.066 0.000 4.773 264 G HA2 0.583 4.543 3.960 0.001 0.000 0.269 264 G HA3 0.583 4.543 3.960 0.001 0.000 0.269 264 G C -0.917 173.850 174.900 -0.221 0.000 0.992 264 G CA 0.252 45.194 45.100 -0.262 0.000 0.775 264 G HN 0.613 nan 8.290 nan 0.000 0.471 265 A N 0.420 123.173 122.820 -0.111 0.000 2.515 265 A HA 0.919 5.240 4.320 0.001 0.000 0.298 265 A C -3.024 174.535 177.584 -0.042 0.000 1.059 265 A CA -1.444 50.546 52.037 -0.078 0.000 0.698 265 A CB 1.832 20.803 19.000 -0.048 0.000 1.289 265 A HN 0.033 nan 8.150 nan 0.000 0.404 266 P HA 0.217 nan 4.420 nan 0.000 0.268 266 P C -0.514 176.787 177.300 0.003 0.000 1.208 266 P CA 0.037 63.139 63.100 0.003 0.000 0.777 266 P CB 0.296 32.006 31.700 0.017 0.000 0.875 267 L N 1.880 123.110 121.223 0.011 0.000 2.439 267 L HA 0.152 4.492 4.340 0.001 0.000 0.269 267 L C 1.157 178.037 176.870 0.016 0.000 1.179 267 L CA -0.566 54.287 54.840 0.021 0.000 0.828 267 L CB 0.064 42.135 42.059 0.021 0.000 1.106 267 L HN 0.256 nan 8.230 nan 0.000 0.467 268 K N 1.591 122.006 120.400 0.025 0.000 2.436 268 K HA 0.044 4.365 4.320 0.001 0.000 0.275 268 K C 0.958 177.567 176.600 0.014 0.000 0.999 268 K CA 0.374 56.671 56.287 0.017 0.000 0.980 268 K CB 0.865 33.380 32.500 0.026 0.000 0.919 268 K HN 0.756 nan 8.250 nan 0.000 0.484 269 A N 3.513 126.338 122.820 0.009 0.000 1.940 269 A HA -0.261 4.060 4.320 0.001 0.000 0.221 269 A C 1.483 179.067 177.584 -0.001 0.000 1.190 269 A CA 2.447 54.487 52.037 0.005 0.000 0.647 269 A CB -0.429 18.576 19.000 0.009 0.000 0.821 269 A HN 0.817 nan 8.150 nan 0.000 0.457 270 D N -1.283 119.118 120.400 0.000 0.000 2.277 270 D HA -0.031 4.610 4.640 0.001 0.000 0.208 270 D C 1.636 177.923 176.300 -0.022 0.000 0.962 270 D CA 0.923 54.918 54.000 -0.009 0.000 0.865 270 D CB -0.045 40.752 40.800 -0.005 0.000 0.939 270 D HN 0.503 nan 8.370 nan 0.000 0.510 271 D N 0.090 120.484 120.400 -0.011 0.000 2.084 271 D HA -0.123 4.517 4.640 0.001 0.000 0.196 271 D C 2.057 178.326 176.300 -0.051 0.000 0.985 271 D CA 0.722 54.704 54.000 -0.031 0.000 0.826 271 D CB -0.195 40.619 40.800 0.024 0.000 0.978 271 D HN -0.012 nan 8.370 nan 0.000 0.456 272 V N 0.854 120.749 119.914 -0.032 0.000 2.278 272 V HA -0.302 3.818 4.120 0.001 0.000 0.251 272 V C 2.568 178.633 176.094 -0.047 0.000 1.062 272 V CA 2.114 64.389 62.300 -0.041 0.000 1.038 272 V CB -0.510 31.295 31.823 -0.031 0.000 0.646 272 V HN 0.244 nan 8.190 nan 0.000 0.447 273 K N 0.182 120.561 120.400 -0.036 0.000 2.001 273 K HA -0.309 4.012 4.320 0.001 0.000 0.214 273 K C 2.293 178.860 176.600 -0.054 0.000 1.050 273 K CA 2.166 58.435 56.287 -0.031 0.000 0.934 273 K CB -0.390 32.097 32.500 -0.022 0.000 0.718 273 K HN 0.716 nan 8.250 nan 0.000 0.443 274 Q N 1.358 121.111 119.800 -0.078 0.000 2.135 274 Q HA -0.188 4.153 4.340 0.001 0.000 0.204 274 Q C 1.961 177.850 176.000 -0.186 0.000 0.981 274 Q CA 1.623 57.356 55.803 -0.116 0.000 0.856 274 Q CB -0.677 27.987 28.738 -0.123 0.000 0.902 274 Q HN 0.354 nan 8.270 nan 0.000 0.425 275 L N 0.029 121.133 121.223 -0.199 0.000 2.012 275 L HA -0.204 4.136 4.340 0.001 0.000 0.210 275 L C 2.190 178.907 176.870 -0.255 0.000 1.073 275 L CA 1.893 56.549 54.840 -0.307 0.000 0.748 275 L CB -0.194 41.758 42.059 -0.179 0.000 0.891 275 L HN 0.205 nan 8.230 nan 0.000 0.431 276 K N -0.755 119.596 120.400 -0.080 0.000 2.032 276 K HA -0.169 4.151 4.320 0.001 0.000 0.209 276 K C 2.104 178.755 176.600 0.084 0.000 1.048 276 K CA 1.847 58.157 56.287 0.038 0.000 0.927 276 K CB -0.268 32.270 32.500 0.062 0.000 0.712 276 K HN 0.301 nan 8.250 nan 0.000 0.441 277 S N 1.084 116.786 115.700 0.003 0.000 2.368 277 S HA -0.171 4.300 4.470 0.001 0.000 0.225 277 S C 1.861 176.442 174.600 -0.031 0.000 1.030 277 S CA 1.239 59.441 58.200 0.003 0.000 0.999 277 S CB -0.147 63.036 63.200 -0.030 0.000 0.844 277 S HN 0.292 nan 8.310 nan 0.000 0.459 278 K N 0.076 120.375 120.400 -0.167 0.000 2.113 278 K HA -0.108 4.212 4.320 0.001 0.000 0.208 278 K C 0.839 177.341 176.600 -0.164 0.000 1.047 278 K CA 1.276 57.399 56.287 -0.274 0.000 0.928 278 K CB -0.169 31.991 32.500 -0.567 0.000 0.716 278 K HN 0.282 nan 8.250 nan 0.000 0.446 279 F N -0.097 119.871 119.950 0.031 0.000 2.765 279 F HA 0.253 4.781 4.527 0.001 0.000 0.302 279 F C 1.407 177.356 175.800 0.248 0.000 1.111 279 F CA 0.367 58.419 58.000 0.085 0.000 1.359 279 F CB 0.375 39.356 39.000 -0.031 0.000 1.097 279 F HN 0.286 nan 8.300 nan 0.000 0.577 280 G N -0.246 108.758 108.800 0.340 0.000 2.132 280 G HA2 -0.286 3.675 3.960 0.001 0.000 0.234 280 G HA3 -0.286 3.675 3.960 0.001 0.000 0.234 280 G C -0.035 174.989 174.900 0.207 0.000 0.989 280 G CA -0.430 44.807 45.100 0.227 0.000 0.676 280 G HN 0.137 nan 8.290 nan 0.000 0.522 281 F N 0.408 120.391 119.950 0.055 0.000 2.458 281 F HA 0.575 5.103 4.527 0.003 0.000 0.330 281 F C 0.573 176.383 175.800 0.015 0.000 1.082 281 F CA -1.994 56.027 58.000 0.034 0.000 0.995 281 F CB 1.219 40.247 39.000 0.048 0.000 1.170 281 F HN 0.010 nan 8.300 nan 0.000 0.478 282 N N 4.803 123.576 118.700 0.121 0.000 2.434 282 N HA 0.037 4.778 4.740 0.001 0.000 0.268 282 N C -1.647 173.923 175.510 0.100 0.000 1.256 282 N CA -1.412 51.685 53.050 0.079 0.000 0.914 282 N CB 0.881 39.392 38.487 0.042 0.000 1.088 282 N HN 0.239 nan 8.380 nan 0.000 0.478 283 P HA -0.038 nan 4.420 nan 0.000 0.226 283 P C -0.184 177.138 177.300 0.036 0.000 1.153 283 P CA 0.940 64.066 63.100 0.044 0.000 0.777 283 P CB 0.498 32.210 31.700 0.020 0.000 0.794 284 D N -0.644 119.780 120.400 0.040 0.000 2.349 284 D HA 0.093 4.734 4.640 0.001 0.000 0.214 284 D C 0.648 176.978 176.300 0.051 0.000 1.063 284 D CA 0.422 54.444 54.000 0.038 0.000 0.847 284 D CB 0.611 41.429 40.800 0.030 0.000 0.933 284 D HN 0.268 nan 8.370 nan 0.000 0.513 285 K N 0.710 121.148 120.400 0.064 0.000 2.203 285 K HA 0.465 4.786 4.320 0.001 0.000 0.251 285 K C -0.039 176.613 176.600 0.085 0.000 0.944 285 K CA -0.462 55.874 56.287 0.081 0.000 0.829 285 K CB 2.449 34.999 32.500 0.084 0.000 1.125 285 K HN -0.047 nan 8.250 nan 0.000 0.430 286 S N -0.004 115.760 115.700 0.108 0.000 2.627 286 S HA 0.548 5.019 4.470 0.001 0.000 0.283 286 S C -0.235 174.466 174.600 0.169 0.000 1.127 286 S CA -0.690 57.544 58.200 0.058 0.000 0.863 286 S CB 0.636 63.863 63.200 0.044 0.000 1.121 286 S HN 0.636 nan 8.310 nan 0.000 0.479 287 F N -0.794 119.189 119.950 0.054 0.000 3.090 287 F HA -0.151 4.376 4.527 0.001 0.000 0.282 287 F C 0.154 176.005 175.800 0.084 0.000 0.923 287 F CA 0.293 58.321 58.000 0.047 0.000 0.977 287 F CB -2.043 36.970 39.000 0.022 0.000 0.954 287 F HN 0.445 nan 8.300 nan 0.000 0.695 288 V N 1.304 121.331 119.914 0.189 0.000 2.408 288 V HA 0.332 4.453 4.120 0.001 0.000 0.267 288 V C 0.427 176.644 176.094 0.206 0.000 1.047 288 V CA -0.659 61.763 62.300 0.203 0.000 0.937 288 V CB 1.313 33.260 31.823 0.207 0.000 0.999 288 V HN 0.030 nan 8.190 nan 0.000 0.472 289 V N 7.682 127.688 119.914 0.155 0.000 2.334 289 V HA 0.322 4.442 4.120 0.001 0.000 0.281 289 V C -2.109 173.988 176.094 0.004 0.000 1.016 289 V CA -1.935 60.380 62.300 0.025 0.000 0.832 289 V CB 1.323 33.031 31.823 -0.190 0.000 0.999 289 V HN 0.747 nan 8.190 nan 0.000 0.439 290 P HA -0.010 nan 4.420 nan 0.000 0.260 290 P C 0.794 178.095 177.300 0.002 0.000 1.172 290 P CA 0.229 63.305 63.100 -0.040 0.000 0.760 290 P CB 0.583 32.230 31.700 -0.088 0.000 0.773 291 Q N 3.162 123.011 119.800 0.081 0.000 2.197 291 Q HA -0.281 4.060 4.340 0.001 0.000 0.211 291 Q C 1.326 177.396 176.000 0.117 0.000 0.993 291 Q CA 2.056 57.955 55.803 0.160 0.000 0.883 291 Q CB -0.374 28.433 28.738 0.115 0.000 0.916 291 Q HN 0.432 nan 8.270 nan 0.000 0.418 292 E N -1.133 119.087 120.200 0.034 0.000 2.118 292 E HA -0.127 4.223 4.350 0.001 0.000 0.195 292 E C 1.941 178.538 176.600 -0.005 0.000 0.992 292 E CA 1.355 57.759 56.400 0.007 0.000 0.804 292 E CB -0.257 29.416 29.700 -0.046 0.000 0.741 292 E HN 0.247 nan 8.360 nan 0.000 0.458 293 V N 0.162 120.042 119.914 -0.056 0.000 2.307 293 V HA -0.260 3.861 4.120 0.001 0.000 0.245 293 V C 1.755 177.838 176.094 -0.019 0.000 1.045 293 V CA 1.673 63.903 62.300 -0.117 0.000 1.024 293 V CB -0.671 31.062 31.823 -0.150 0.000 0.651 293 V HN 0.235 nan 8.190 nan 0.000 0.449 294 Y N 1.125 121.481 120.300 0.094 0.000 2.128 294 Y HA -0.232 4.318 4.550 0.000 0.000 0.284 294 Y C 2.551 178.508 175.900 0.095 0.000 1.154 294 Y CA 1.544 59.713 58.100 0.115 0.000 1.149 294 Y CB -0.857 37.652 38.460 0.081 0.000 0.976 294 Y HN 0.322 nan 8.280 nan 0.000 0.505 295 D N -1.499 119.042 120.400 0.236 0.000 2.123 295 D HA -0.214 4.426 4.640 0.001 0.000 0.196 295 D C 2.162 178.544 176.300 0.138 0.000 0.992 295 D CA 1.628 55.720 54.000 0.153 0.000 0.833 295 D CB -0.648 40.219 40.800 0.112 0.000 0.954 295 D HN 0.519 nan 8.370 nan 0.000 0.455 296 H N -0.555 118.515 119.070 -0.000 0.000 2.326 296 H HA -0.156 4.401 4.556 0.001 0.000 0.301 296 H C 1.769 177.094 175.328 -0.005 0.000 1.081 296 H CA 1.167 57.180 56.048 -0.057 0.000 1.334 296 H CB 0.001 29.652 29.762 -0.185 0.000 1.385 296 H HN 0.124 nan 8.280 nan 0.000 0.504 297 Y N 1.116 121.426 120.300 0.017 0.000 2.293 297 Y HA -0.169 4.382 4.550 0.002 0.000 0.291 297 Y C 2.934 178.826 175.900 -0.014 0.000 1.137 297 Y CA 1.289 59.369 58.100 -0.034 0.000 1.202 297 Y CB -0.671 37.836 38.460 0.077 0.000 0.990 297 Y HN 0.314 nan 8.280 nan 0.000 0.537 298 Q N 1.360 121.266 119.800 0.177 0.000 2.061 298 Q HA -0.253 4.088 4.340 0.001 0.000 0.204 298 Q C 2.190 178.220 176.000 0.050 0.000 0.984 298 Q CA 2.582 58.443 55.803 0.096 0.000 0.846 298 Q CB -0.192 28.599 28.738 0.088 0.000 0.902 298 Q HN 0.518 nan 8.270 nan 0.000 0.421 299 K N -1.764 118.653 120.400 0.029 0.000 2.167 299 K HA 0.010 4.331 4.320 0.001 0.000 0.203 299 K C 1.736 178.329 176.600 -0.013 0.000 1.052 299 K CA 1.720 58.013 56.287 0.010 0.000 0.956 299 K CB -0.321 32.192 32.500 0.021 0.000 0.735 299 K HN 0.109 nan 8.250 nan 0.000 0.451 300 T N 0.163 114.679 114.554 -0.064 0.000 2.937 300 T HA 0.176 4.527 4.350 0.001 0.000 0.260 300 T C 1.692 176.403 174.700 0.018 0.000 1.051 300 T CA 1.097 63.164 62.100 -0.054 0.000 1.141 300 T CB -0.018 68.748 68.868 -0.169 0.000 0.879 300 T HN 0.149 nan 8.240 nan 0.000 0.459 301 I N -0.636 119.968 120.570 0.058 0.000 3.345 301 I HA 0.151 4.321 4.170 0.001 0.000 0.258 301 I C 1.864 178.003 176.117 0.037 0.000 1.134 301 I CA 0.029 61.368 61.300 0.065 0.000 1.457 301 I CB -0.042 38.020 38.000 0.102 0.000 1.425 301 I HN 0.054 nan 8.210 nan 0.000 0.461 302 L N 1.603 122.846 121.223 0.034 0.000 1.961 302 L HA -0.140 4.201 4.340 0.001 0.000 0.210 302 L C 2.330 179.190 176.870 -0.016 0.000 1.072 302 L CA 2.084 56.920 54.840 -0.007 0.000 0.749 302 L CB -0.894 41.163 42.059 -0.003 0.000 0.889 302 L HN 0.092 nan 8.230 nan 0.000 0.432 303 K N -0.632 119.765 120.400 -0.004 0.000 2.057 303 K HA -0.111 4.210 4.320 0.001 0.000 0.207 303 K C -0.132 176.461 176.600 -0.011 0.000 1.049 303 K CA 1.643 57.923 56.287 -0.012 0.000 0.931 303 K CB -1.150 31.348 32.500 -0.003 0.000 0.714 303 K HN 0.375 nan 8.250 nan 0.000 0.440 304 P HA -0.131 nan 4.420 nan 0.000 0.217 304 P C 1.266 178.572 177.300 0.010 0.000 1.150 304 P CA 1.476 64.583 63.100 0.012 0.000 0.832 304 P CB -0.155 31.562 31.700 0.028 0.000 0.787 305 G N -0.258 108.548 108.800 0.010 0.000 2.402 305 G HA2 -0.203 3.757 3.960 0.001 0.000 0.216 305 G HA3 -0.203 3.757 3.960 0.001 0.000 0.216 305 G C 1.639 176.474 174.900 -0.107 0.000 1.162 305 G CA 0.560 45.667 45.100 0.012 0.000 0.777 305 G HN 0.140 nan 8.290 nan 0.000 0.539 306 V N 0.806 120.657 119.914 -0.106 0.000 2.332 306 V HA -0.203 3.918 4.120 0.001 0.000 0.248 306 V C 2.638 178.638 176.094 -0.155 0.000 1.055 306 V CA 2.295 64.507 62.300 -0.146 0.000 1.038 306 V CB -0.307 31.459 31.823 -0.095 0.000 0.651 306 V HN 0.576 nan 8.190 nan 0.000 0.450 307 E N 0.306 120.449 120.200 -0.095 0.000 2.051 307 E HA -0.226 4.125 4.350 0.001 0.000 0.192 307 E C 2.259 178.809 176.600 -0.084 0.000 0.991 307 E CA 1.423 57.781 56.400 -0.069 0.000 0.799 307 E CB -0.187 29.496 29.700 -0.028 0.000 0.748 307 E HN 0.541 nan 8.360 nan 0.000 0.449 308 A N 1.362 124.134 122.820 -0.081 0.000 1.940 308 A HA -0.256 4.065 4.320 0.001 0.000 0.219 308 A C 1.973 179.370 177.584 -0.312 0.000 1.176 308 A CA 1.833 53.841 52.037 -0.048 0.000 0.631 308 A CB -0.955 18.112 19.000 0.112 0.000 0.814 308 A HN 0.479 nan 8.150 nan 0.000 0.446 309 N N -0.973 117.276 118.700 -0.751 0.000 2.142 309 N HA -0.193 4.548 4.740 0.001 0.000 0.186 309 N C 1.808 177.085 175.510 -0.388 0.000 1.023 309 N CA 1.279 53.647 53.050 -1.136 0.000 0.852 309 N CB -0.176 37.649 38.487 -1.102 0.000 0.998 309 N HN 0.586 nan 8.380 nan 0.000 0.424 310 N N 0.454 119.015 118.700 -0.231 0.000 2.120 310 N HA -0.112 4.629 4.740 0.001 0.000 0.188 310 N C 1.425 176.923 175.510 -0.020 0.000 1.024 310 N CA 1.025 54.021 53.050 -0.090 0.000 0.852 310 N CB 0.210 38.651 38.487 -0.077 0.000 1.003 310 N HN 0.125 nan 8.380 nan 0.000 0.424 311 K N -0.403 119.994 120.400 -0.005 0.000 2.026 311 K HA -0.179 4.142 4.320 0.001 0.000 0.208 311 K C 1.822 178.470 176.600 0.081 0.000 1.048 311 K CA 0.985 57.297 56.287 0.041 0.000 0.929 311 K CB -0.839 31.701 32.500 0.067 0.000 0.713 311 K HN 0.414 nan 8.250 nan 0.000 0.439 312 W N 2.836 124.138 121.300 0.002 0.000 2.342 312 W HA -0.215 4.446 4.660 0.001 0.000 0.297 312 W C 1.577 178.169 176.519 0.122 0.000 1.213 312 W CA 1.930 59.341 57.345 0.111 0.000 1.251 312 W CB -0.421 29.181 29.460 0.237 0.000 1.136 312 W HN 0.208 nan 8.180 nan 0.000 0.526 313 N N -0.016 118.806 118.700 0.203 0.000 2.104 313 N HA -0.254 4.487 4.740 0.001 0.000 0.190 313 N C 1.637 177.158 175.510 0.018 0.000 1.024 313 N CA 2.298 55.431 53.050 0.138 0.000 0.853 313 N CB -0.254 38.318 38.487 0.141 0.000 1.008 313 N HN 0.209 nan 8.380 nan 0.000 0.424 314 K N 0.639 121.041 120.400 0.003 0.000 2.103 314 K HA -0.046 4.274 4.320 0.001 0.000 0.204 314 K C 1.788 178.387 176.600 -0.002 0.000 1.052 314 K CA 0.779 57.066 56.287 -0.001 0.000 0.945 314 K CB -0.515 31.988 32.500 0.005 0.000 0.722 314 K HN 0.052 nan 8.250 nan 0.000 0.443 315 L N 0.190 121.391 121.223 -0.037 0.000 2.093 315 L HA 0.028 4.369 4.340 0.001 0.000 0.208 315 L C 2.104 179.015 176.870 0.068 0.000 1.085 315 L CA 1.370 56.221 54.840 0.018 0.000 0.755 315 L CB -0.518 41.508 42.059 -0.054 0.000 0.904 315 L HN 0.236 nan 8.230 nan 0.000 0.435 316 F N -0.074 119.648 119.950 -0.380 0.000 2.171 316 F HA -0.159 4.369 4.527 0.001 0.000 0.300 316 F C 2.470 178.247 175.800 -0.038 0.000 1.090 316 F CA 1.398 59.209 58.000 -0.316 0.000 1.293 316 F CB -0.785 37.830 39.000 -0.643 0.000 1.013 316 F HN 0.152 nan 8.300 nan 0.000 0.486 317 S N 0.007 115.641 115.700 -0.110 0.000 2.356 317 S HA -0.221 4.250 4.470 0.001 0.000 0.223 317 S C 1.819 176.391 174.600 -0.047 0.000 1.032 317 S CA 1.442 59.558 58.200 -0.141 0.000 1.005 317 S CB -0.419 62.738 63.200 -0.071 0.000 0.867 317 S HN 0.355 nan 8.310 nan 0.000 0.449 318 E N 0.425 120.668 120.200 0.073 0.000 2.058 318 E HA -0.157 4.194 4.350 0.001 0.000 0.194 318 E C 1.743 178.424 176.600 0.136 0.000 0.997 318 E CA 1.142 57.640 56.400 0.162 0.000 0.801 318 E CB -0.391 29.509 29.700 0.334 0.000 0.746 318 E HN 0.602 nan 8.360 nan 0.000 0.450 319 Y N 1.342 121.682 120.300 0.067 0.000 2.081 319 Y HA -0.329 4.222 4.550 0.001 0.000 0.280 319 Y C 2.068 177.906 175.900 -0.103 0.000 1.163 319 Y CA 2.274 60.290 58.100 -0.139 0.000 1.135 319 Y CB -0.186 38.328 38.460 0.090 0.000 0.970 319 Y HN 0.113 nan 8.280 nan 0.000 0.498 320 Q N -0.189 119.573 119.800 -0.063 0.000 2.226 320 Q HA -0.191 4.150 4.340 0.001 0.000 0.204 320 Q C 2.032 177.922 176.000 -0.185 0.000 0.975 320 Q CA 1.742 57.453 55.803 -0.152 0.000 0.866 320 Q CB -0.108 28.477 28.738 -0.256 0.000 0.915 320 Q HN 0.525 nan 8.270 nan 0.000 0.440 321 K N 0.398 120.686 120.400 -0.187 0.000 2.021 321 K HA -0.026 4.295 4.320 0.001 0.000 0.205 321 K C 2.040 178.463 176.600 -0.295 0.000 1.047 321 K CA 0.573 56.749 56.287 -0.185 0.000 0.943 321 K CB 0.053 32.476 32.500 -0.128 0.000 0.725 321 K HN -0.072 nan 8.250 nan 0.000 0.439 322 K N 0.355 120.486 120.400 -0.448 0.000 2.147 322 K HA -0.069 4.251 4.320 0.001 0.000 0.205 322 K C 0.354 176.269 176.600 -1.142 0.000 1.049 322 K CA 1.156 56.954 56.287 -0.815 0.000 0.936 322 K CB 0.069 31.858 32.500 -1.185 0.000 0.722 322 K HN 0.105 nan 8.250 nan 0.000 0.446 323 F N 0.807 120.455 119.950 -0.504 0.000 2.542 323 F HA 0.227 4.755 4.527 0.001 0.000 0.323 323 F C -1.620 173.987 175.800 -0.322 0.000 1.411 323 F CA -2.284 55.424 58.000 -0.486 0.000 1.124 323 F CB 1.143 39.624 39.000 -0.866 0.000 1.331 323 F HN -0.095 nan 8.300 nan 0.000 0.560 324 P HA -0.220 nan 4.420 nan 0.000 0.216 324 P C 1.008 178.310 177.300 0.004 0.000 1.150 324 P CA 1.777 64.842 63.100 -0.059 0.000 0.843 324 P CB 0.426 32.085 31.700 -0.069 0.000 0.787 325 E N 0.165 120.381 120.200 0.028 0.000 2.007 325 E HA -0.115 4.236 4.350 0.001 0.000 0.194 325 E C 2.267 178.937 176.600 0.116 0.000 0.999 325 E CA 0.874 57.309 56.400 0.059 0.000 0.811 325 E CB -1.001 28.730 29.700 0.052 0.000 0.762 325 E HN 0.199 nan 8.360 nan 0.000 0.450 326 L N 0.922 122.240 121.223 0.159 0.000 2.141 326 L HA -0.025 4.316 4.340 0.001 0.000 0.209 326 L C 2.521 179.631 176.870 0.399 0.000 1.094 326 L CA 1.699 56.726 54.840 0.312 0.000 0.763 326 L CB -1.807 40.462 42.059 0.350 0.000 0.908 326 L HN 0.230 nan 8.230 nan 0.000 0.437 327 G N -0.323 108.659 108.800 0.305 0.000 2.421 327 G HA2 -0.244 3.717 3.960 0.001 0.000 0.216 327 G HA3 -0.244 3.717 3.960 0.001 0.000 0.216 327 G C 1.772 176.799 174.900 0.210 0.000 1.171 327 G CA 1.039 46.340 45.100 0.334 0.000 0.775 327 G HN 0.470 nan 8.290 nan 0.000 0.543 328 A N 0.664 123.556 122.820 0.121 0.000 1.883 328 A HA -0.079 4.242 4.320 0.001 0.000 0.217 328 A C 2.167 179.819 177.584 0.114 0.000 1.186 328 A CA 2.136 54.226 52.037 0.088 0.000 0.624 328 A CB -0.594 18.439 19.000 0.056 0.000 0.822 328 A HN 0.493 nan 8.150 nan 0.000 0.444 329 E N -0.726 119.556 120.200 0.137 0.000 2.038 329 E HA -0.228 4.123 4.350 0.001 0.000 0.195 329 E C 1.941 178.592 176.600 0.085 0.000 1.000 329 E CA 1.528 58.008 56.400 0.134 0.000 0.803 329 E CB -0.241 29.586 29.700 0.212 0.000 0.750 329 E HN 0.404 nan 8.360 nan 0.000 0.448 330 L N 0.922 122.160 121.223 0.026 0.000 2.046 330 L HA -0.113 4.227 4.340 0.001 0.000 0.208 330 L C 2.258 179.155 176.870 0.044 0.000 1.077 330 L CA 2.206 56.918 54.840 -0.213 0.000 0.747 330 L CB -0.855 40.940 42.059 -0.439 0.000 0.896 330 L HN 0.215 nan 8.230 nan 0.000 0.432 331 A N -0.566 122.426 122.820 0.286 0.000 1.908 331 A HA -0.256 4.065 4.320 0.001 0.000 0.218 331 A C 2.564 180.236 177.584 0.146 0.000 1.181 331 A CA 1.843 54.072 52.037 0.321 0.000 0.627 331 A CB -0.646 18.493 19.000 0.232 0.000 0.818 331 A HN 0.500 nan 8.150 nan 0.000 0.445 332 R N -0.503 120.052 120.500 0.091 0.000 2.075 332 R HA -0.088 4.253 4.340 0.001 0.000 0.232 332 R C 2.393 178.707 176.300 0.023 0.000 1.126 332 R CA 1.401 57.533 56.100 0.053 0.000 0.963 332 R CB -0.216 30.110 30.300 0.044 0.000 0.858 332 R HN 0.540 nan 8.270 nan 0.000 0.435 333 R N 0.158 120.655 120.500 -0.004 0.000 2.075 333 R HA -0.064 4.277 4.340 0.001 0.000 0.232 333 R C 2.342 178.618 176.300 -0.039 0.000 1.126 333 R CA 1.291 57.363 56.100 -0.047 0.000 0.963 333 R CB -0.280 29.960 30.300 -0.099 0.000 0.858 333 R HN 0.252 nan 8.270 nan 0.000 0.435 334 L N 0.711 121.919 121.223 -0.025 0.000 2.291 334 L HA -0.089 4.252 4.340 0.001 0.000 0.214 334 L C 2.430 179.314 176.870 0.024 0.000 1.120 334 L CA 1.086 55.918 54.840 -0.014 0.000 0.799 334 L CB -0.397 41.662 42.059 0.000 0.000 0.925 334 L HN 0.273 nan 8.230 nan 0.000 0.446 335 S N -0.459 115.267 115.700 0.044 0.000 2.489 335 S HA 0.062 4.532 4.470 0.001 0.000 0.228 335 S C 1.552 176.170 174.600 0.030 0.000 0.995 335 S CA 0.470 58.699 58.200 0.047 0.000 0.934 335 S CB 0.113 63.347 63.200 0.057 0.000 0.771 335 S HN 0.519 nan 8.310 nan 0.000 0.522 336 G N 0.905 109.713 108.800 0.014 0.000 2.149 336 G HA2 -0.160 3.801 3.960 0.001 0.000 0.235 336 G HA3 -0.160 3.801 3.960 0.001 0.000 0.235 336 G C -0.395 174.507 174.900 0.004 0.000 1.018 336 G CA -0.005 45.097 45.100 0.004 0.000 0.728 336 G HN 0.562 nan 8.290 nan 0.000 0.508 337 Q N -0.598 119.206 119.800 0.007 0.000 2.309 337 Q HA 0.694 5.035 4.340 0.001 0.000 0.264 337 Q C 0.168 176.162 176.000 -0.011 0.000 1.008 337 Q CA -1.105 54.706 55.803 0.013 0.000 0.853 337 Q CB 1.952 30.711 28.738 0.034 0.000 1.314 337 Q HN 0.183 nan 8.270 nan 0.000 0.448 338 L N 3.180 124.389 121.223 -0.022 0.000 2.436 338 L HA 0.336 4.677 4.340 0.001 0.000 0.265 338 L C -1.994 174.889 176.870 0.022 0.000 1.168 338 L CA -1.603 53.185 54.840 -0.087 0.000 0.815 338 L CB -0.426 41.507 42.059 -0.210 0.000 1.109 338 L HN 0.412 nan 8.230 nan 0.000 0.462 339 P HA 0.018 nan 4.420 nan 0.000 0.264 339 P C -0.964 176.436 177.300 0.168 0.000 1.179 339 P CA -0.173 62.984 63.100 0.095 0.000 0.763 339 P CB 0.259 32.014 31.700 0.092 0.000 0.806 340 A N 3.716 126.602 122.820 0.111 0.000 2.553 340 A HA -0.051 4.270 4.320 0.001 0.000 0.258 340 A C 1.125 178.766 177.584 0.095 0.000 1.069 340 A CA 0.466 52.561 52.037 0.097 0.000 0.767 340 A CB -1.333 17.700 19.000 0.055 0.000 0.997 340 A HN 0.882 nan 8.150 nan 0.000 0.512 341 N N 2.088 120.840 118.700 0.087 0.000 2.716 341 N HA -0.194 4.547 4.740 0.001 0.000 0.250 341 N C 0.939 176.428 175.510 -0.035 0.000 1.033 341 N CA 0.742 53.789 53.050 -0.005 0.000 0.727 341 N CB -0.537 37.932 38.487 -0.029 0.000 0.950 341 N HN 0.985 nan 8.380 nan 0.000 0.541 342 W N 0.594 121.880 121.300 -0.023 0.000 2.325 342 W HA -0.208 4.453 4.660 0.001 0.000 0.299 342 W C 1.062 177.559 176.519 -0.038 0.000 1.215 342 W CA 1.692 59.016 57.345 -0.034 0.000 1.244 342 W CB -0.874 28.567 29.460 -0.032 0.000 1.140 342 W HN 0.246 nan 8.180 nan 0.000 0.523 343 E N 1.648 121.078 120.200 -1.284 0.000 2.331 343 E HA -0.167 4.184 4.350 0.001 0.000 0.199 343 E C 2.020 178.305 176.600 -0.526 0.000 1.008 343 E CA 1.839 57.517 56.400 -1.205 0.000 0.843 343 E CB -0.988 28.122 29.700 -0.984 0.000 0.761 343 E HN 0.205 nan 8.360 nan 0.000 0.507 344 S N 0.728 116.220 115.700 -0.347 0.000 2.442 344 S HA -0.090 4.381 4.470 0.001 0.000 0.236 344 S C 1.485 175.991 174.600 -0.156 0.000 1.007 344 S CA 0.843 58.922 58.200 -0.201 0.000 0.965 344 S CB -0.043 63.077 63.200 -0.134 0.000 0.773 344 S HN 0.225 nan 8.310 nan 0.000 0.504 345 K N 0.638 120.953 120.400 -0.140 0.000 2.444 345 K HA 0.205 4.526 4.320 0.001 0.000 0.193 345 K C -0.108 176.440 176.600 -0.086 0.000 1.024 345 K CA -0.001 56.236 56.287 -0.085 0.000 1.077 345 K CB -0.063 32.420 32.500 -0.029 0.000 0.833 345 K HN 0.359 nan 8.250 nan 0.000 0.517 346 L N 3.263 124.407 121.223 -0.132 0.000 2.462 346 L HA 0.100 4.440 4.340 0.001 0.000 0.272 346 L C -2.147 174.666 176.870 -0.095 0.000 1.166 346 L CA -1.949 52.831 54.840 -0.100 0.000 0.880 346 L CB -0.077 41.897 42.059 -0.143 0.000 1.142 346 L HN -0.151 nan 8.230 nan 0.000 0.473 347 P HA 0.036 nan 4.420 nan 0.000 0.264 347 P C -0.337 176.852 177.300 -0.184 0.000 1.193 347 P CA -0.072 62.935 63.100 -0.154 0.000 0.763 347 P CB 0.598 32.256 31.700 -0.070 0.000 0.810 348 T N 0.925 115.287 114.554 -0.319 0.000 2.924 348 T HA 0.716 5.067 4.350 0.001 0.000 0.291 348 T C -1.037 173.407 174.700 -0.425 0.000 1.045 348 T CA -0.525 61.454 62.100 -0.201 0.000 1.015 348 T CB 0.907 69.714 68.868 -0.102 0.000 1.103 348 T HN 0.194 nan 8.240 nan 0.000 0.496 349 Y N -0.255 120.046 120.300 0.001 0.000 2.669 349 Y HA 0.731 5.281 4.550 0.001 0.000 0.335 349 Y C 0.600 176.508 175.900 0.013 0.000 1.116 349 Y CA -0.763 57.343 58.100 0.009 0.000 1.081 349 Y CB 2.398 40.869 38.460 0.017 0.000 1.297 349 Y HN 1.091 nan 8.280 nan 0.000 0.484 350 T N -2.764 111.899 114.554 0.181 0.000 2.864 350 T HA 0.607 4.958 4.350 0.001 0.000 0.299 350 T C 0.683 175.444 174.700 0.101 0.000 1.166 350 T CA -0.345 61.820 62.100 0.109 0.000 1.007 350 T CB 1.514 70.420 68.868 0.064 0.000 1.219 350 T HN 0.839 nan 8.240 nan 0.000 0.506 351 A N 0.788 123.652 122.820 0.073 0.000 2.054 351 A HA -0.189 4.132 4.320 0.001 0.000 0.223 351 A C 2.159 179.773 177.584 0.050 0.000 1.169 351 A CA 2.385 54.455 52.037 0.056 0.000 0.655 351 A CB -1.008 18.019 19.000 0.045 0.000 0.812 351 A HN 0.906 nan 8.150 nan 0.000 0.462 352 K N -0.265 120.166 120.400 0.052 0.000 2.288 352 K HA -0.056 4.265 4.320 0.001 0.000 0.201 352 K C -0.104 176.529 176.600 0.055 0.000 1.048 352 K CA 0.600 56.914 56.287 0.045 0.000 0.956 352 K CB -0.013 32.510 32.500 0.039 0.000 0.746 352 K HN 0.492 nan 8.250 nan 0.000 0.461 353 D N 0.211 120.660 120.400 0.082 0.000 2.371 353 D HA 0.024 4.665 4.640 0.001 0.000 0.242 353 D C -0.056 176.284 176.300 0.068 0.000 1.218 353 D CA 0.172 54.234 54.000 0.105 0.000 0.945 353 D CB 0.973 41.902 40.800 0.216 0.000 1.137 353 D HN -0.047 nan 8.370 nan 0.000 0.464 354 S N -0.365 115.372 115.700 0.062 0.000 2.593 354 S HA 0.368 4.839 4.470 0.001 0.000 0.269 354 S C 0.041 174.638 174.600 -0.006 0.000 1.334 354 S CA -0.755 57.461 58.200 0.027 0.000 1.015 354 S CB 0.945 64.162 63.200 0.028 0.000 0.912 354 S HN 0.503 nan 8.310 nan 0.000 0.541 355 A N 2.245 125.057 122.820 -0.012 0.000 2.444 355 A HA 0.479 4.800 4.320 0.001 0.000 0.273 355 A C -0.316 177.245 177.584 -0.038 0.000 1.136 355 A CA -0.319 51.700 52.037 -0.030 0.000 0.799 355 A CB -0.401 18.585 19.000 -0.023 0.000 1.081 355 A HN 0.575 nan 8.150 nan 0.000 0.509 356 V N 2.272 122.147 119.914 -0.064 0.000 2.656 356 V HA 0.634 4.755 4.120 0.001 0.000 0.307 356 V C 0.718 176.779 176.094 -0.055 0.000 1.051 356 V CA -0.583 61.681 62.300 -0.061 0.000 0.893 356 V CB 1.479 33.243 31.823 -0.099 0.000 0.999 356 V HN 1.208 nan 8.190 nan 0.000 0.426 357 A N 2.368 125.168 122.820 -0.033 0.000 2.531 357 A HA 0.288 4.609 4.320 0.001 0.000 0.236 357 A C 1.385 178.957 177.584 -0.020 0.000 1.062 357 A CA 0.641 52.662 52.037 -0.027 0.000 0.760 357 A CB 0.159 19.148 19.000 -0.018 0.000 0.995 357 A HN 0.934 nan 8.150 nan 0.000 0.501 358 T N 0.351 114.898 114.554 -0.011 0.000 2.995 358 T HA -0.094 4.257 4.350 0.001 0.000 0.269 358 T C 2.010 176.740 174.700 0.050 0.000 1.091 358 T CA 1.460 63.566 62.100 0.011 0.000 1.128 358 T CB -0.297 68.582 68.868 0.019 0.000 0.891 358 T HN 0.690 nan 8.240 nan 0.000 0.492 359 R N 0.920 121.451 120.500 0.052 0.000 2.092 359 R HA -0.006 4.335 4.340 0.001 0.000 0.231 359 R C 2.346 178.702 176.300 0.092 0.000 1.119 359 R CA 1.336 57.492 56.100 0.094 0.000 0.970 359 R CB -0.122 30.233 30.300 0.092 0.000 0.864 359 R HN 0.214 nan 8.270 nan 0.000 0.440 360 K N 0.624 121.059 120.400 0.059 0.000 2.167 360 K HA -0.026 4.295 4.320 0.001 0.000 0.203 360 K C 2.135 178.764 176.600 0.047 0.000 1.052 360 K CA 0.558 56.878 56.287 0.055 0.000 0.956 360 K CB 0.058 32.581 32.500 0.038 0.000 0.735 360 K HN 0.216 nan 8.250 nan 0.000 0.451 361 L N 0.593 121.829 121.223 0.022 0.000 2.083 361 L HA -0.179 4.162 4.340 0.001 0.000 0.209 361 L C 2.601 179.510 176.870 0.066 0.000 1.083 361 L CA 1.165 56.016 54.840 0.018 0.000 0.752 361 L CB -0.487 41.542 42.059 -0.050 0.000 0.899 361 L HN 0.219 nan 8.230 nan 0.000 0.433 362 S N -0.183 115.577 115.700 0.100 0.000 2.359 362 S HA -0.286 4.185 4.470 0.001 0.000 0.224 362 S C 1.991 176.599 174.600 0.013 0.000 1.035 362 S CA 1.858 60.138 58.200 0.133 0.000 1.018 362 S CB -0.185 63.150 63.200 0.225 0.000 0.876 362 S HN 0.501 nan 8.310 nan 0.000 0.448 363 E N -0.406 119.833 120.200 0.065 0.000 2.070 363 E HA -0.168 4.183 4.350 0.001 0.000 0.197 363 E C 1.914 178.542 176.600 0.045 0.000 1.004 363 E CA 1.814 58.255 56.400 0.069 0.000 0.805 363 E CB -0.412 29.339 29.700 0.085 0.000 0.744 363 E HN 0.589 nan 8.360 nan 0.000 0.451 364 T N 0.480 115.063 114.554 0.049 0.000 2.746 364 T HA -0.130 4.221 4.350 0.001 0.000 0.267 364 T C 1.937 176.643 174.700 0.011 0.000 1.039 364 T CA 1.303 63.437 62.100 0.056 0.000 1.142 364 T CB -0.208 68.724 68.868 0.106 0.000 0.866 364 T HN 0.042 nan 8.240 nan 0.000 0.444 365 V N 1.752 121.631 119.914 -0.058 0.000 2.255 365 V HA -0.167 3.954 4.120 0.001 0.000 0.247 365 V C 2.502 178.472 176.094 -0.207 0.000 1.051 365 V CA 1.633 63.830 62.300 -0.172 0.000 1.018 365 V CB -0.775 30.803 31.823 -0.408 0.000 0.641 365 V HN 0.454 nan 8.190 nan 0.000 0.445 366 L N -0.448 120.635 121.223 -0.232 0.000 2.083 366 L HA -0.145 4.196 4.340 0.001 0.000 0.209 366 L C 2.747 179.615 176.870 -0.004 0.000 1.083 366 L CA 1.311 56.072 54.840 -0.133 0.000 0.752 366 L CB -0.741 41.324 42.059 0.010 0.000 0.899 366 L HN 0.351 nan 8.230 nan 0.000 0.433 367 E N 0.392 120.633 120.200 0.068 0.000 2.051 367 E HA -0.220 4.131 4.350 0.001 0.000 0.192 367 E C 1.755 178.456 176.600 0.168 0.000 0.991 367 E CA 1.453 57.943 56.400 0.151 0.000 0.799 367 E CB -0.304 29.474 29.700 0.129 0.000 0.748 367 E HN 0.505 nan 8.360 nan 0.000 0.449 368 D N 0.058 120.486 120.400 0.047 0.000 2.219 368 D HA -0.117 4.524 4.640 0.001 0.000 0.205 368 D C 2.031 178.298 176.300 -0.056 0.000 0.970 368 D CA 1.120 55.117 54.000 -0.006 0.000 0.851 368 D CB 0.045 40.835 40.800 -0.017 0.000 0.943 368 D HN 0.241 nan 8.370 nan 0.000 0.488 369 V N -1.015 118.862 119.914 -0.061 0.000 3.263 369 V HA -0.002 4.119 4.120 0.001 0.000 0.248 369 V C 2.189 178.146 176.094 -0.228 0.000 1.145 369 V CA 0.267 62.513 62.300 -0.090 0.000 1.107 369 V CB -1.203 30.612 31.823 -0.013 0.000 0.797 369 V HN 0.187 nan 8.190 nan 0.000 0.467 370 Y N 4.637 124.647 120.300 -0.484 0.000 2.241 370 Y HA -0.220 4.330 4.550 0.001 0.000 0.286 370 Y C 2.079 177.737 175.900 -0.403 0.000 1.166 370 Y CA 1.970 59.645 58.100 -0.707 0.000 1.203 370 Y CB -1.732 35.714 38.460 -1.690 0.000 0.977 370 Y HN 0.516 nan 8.280 nan 0.000 0.529 371 N N -0.383 117.540 118.700 -1.293 0.000 2.188 371 N HA -0.173 4.567 4.740 0.001 0.000 0.184 371 N C 1.353 176.631 175.510 -0.386 0.000 1.018 371 N CA 1.564 54.072 53.050 -0.903 0.000 0.858 371 N CB -0.701 37.222 38.487 -0.939 0.000 0.989 371 N HN 0.400 nan 8.380 nan 0.000 0.426 372 Q N -0.049 119.585 119.800 -0.277 0.000 2.245 372 Q HA 0.184 4.525 4.340 0.001 0.000 0.201 372 Q C 0.117 176.054 176.000 -0.105 0.000 0.955 372 Q CA 0.616 56.346 55.803 -0.121 0.000 0.870 372 Q CB 0.216 28.947 28.738 -0.012 0.000 0.945 372 Q HN 0.481 nan 8.270 nan 0.000 0.461 373 L N 3.078 124.211 121.223 -0.150 0.000 2.384 373 L HA 0.218 4.559 4.340 0.001 0.000 0.261 373 L C -1.544 175.272 176.870 -0.090 0.000 1.024 373 L CA -1.380 53.379 54.840 -0.136 0.000 0.899 373 L CB 1.591 43.534 42.059 -0.193 0.000 1.243 373 L HN -0.081 nan 8.230 nan 0.000 0.449 374 P HA -0.220 nan 4.420 nan 0.000 0.219 374 P C 0.829 178.135 177.300 0.010 0.000 1.146 374 P CA 1.305 64.404 63.100 -0.001 0.000 0.808 374 P CB 0.273 31.987 31.700 0.022 0.000 0.779 375 E N -0.286 119.885 120.200 -0.048 0.000 2.482 375 E HA -0.058 4.293 4.350 0.001 0.000 0.196 375 E C 0.720 177.340 176.600 0.034 0.000 1.047 375 E CA -0.130 56.203 56.400 -0.111 0.000 0.869 375 E CB -0.718 28.870 29.700 -0.187 0.000 0.836 375 E HN 0.240 nan 8.360 nan 0.000 0.520 376 L N 1.992 123.257 121.223 0.069 0.000 2.369 376 L HA 0.290 4.631 4.340 0.001 0.000 0.279 376 L C -0.425 176.620 176.870 0.291 0.000 1.108 376 L CA -0.081 54.860 54.840 0.169 0.000 0.852 376 L CB 0.512 42.641 42.059 0.115 0.000 1.169 376 L HN 0.121 nan 8.230 nan 0.000 0.452 377 I N 5.105 125.832 120.570 0.261 0.000 2.447 377 I HA 0.738 4.909 4.170 0.001 0.000 0.287 377 I C 0.128 176.170 176.117 -0.126 0.000 1.023 377 I CA -0.113 61.273 61.300 0.143 0.000 1.083 377 I CB 1.261 39.287 38.000 0.045 0.000 1.245 377 I HN 0.657 nan 8.210 nan 0.000 0.434 378 G N 3.862 112.480 108.800 -0.302 0.000 3.016 378 G HA2 0.907 4.868 3.960 0.001 0.000 0.270 378 G HA3 0.907 4.868 3.960 0.001 0.000 0.270 378 G C -0.608 173.740 174.900 -0.920 0.000 1.352 378 G CA -0.509 43.891 45.100 -1.166 0.000 1.060 378 G HN 1.037 nan 8.290 nan 0.000 0.538 379 G N -2.037 106.192 108.800 -0.951 0.000 2.315 379 G HA2 0.550 4.511 3.960 0.001 0.000 0.294 379 G HA3 0.550 4.511 3.960 0.001 0.000 0.294 379 G C -1.374 173.343 174.900 -0.305 0.000 1.300 379 G CA 0.580 45.126 45.100 -0.923 0.000 0.843 379 G HN 1.513 nan 8.290 nan 0.000 0.527 380 S N -1.659 113.941 115.700 -0.166 0.000 2.537 380 S HA 0.692 5.162 4.470 0.001 0.000 0.270 380 S C -0.193 174.429 174.600 0.036 0.000 1.142 380 S CA 0.562 58.766 58.200 0.007 0.000 0.870 380 S CB 1.467 64.724 63.200 0.095 0.000 1.112 380 S HN 2.158 nan 8.310 nan 0.000 0.466 381 A N 3.150 125.954 122.820 -0.026 0.000 3.056 381 A HA 0.476 4.797 4.320 0.001 0.000 0.274 381 A C 0.491 178.022 177.584 -0.088 0.000 1.661 381 A CA 0.400 52.407 52.037 -0.049 0.000 1.363 381 A CB -1.461 17.483 19.000 -0.093 0.000 1.139 381 A HN 1.221 nan 8.150 nan 0.000 0.598 382 D N -0.336 120.031 120.400 -0.055 0.000 2.811 382 D HA -0.177 4.464 4.640 0.001 0.000 0.231 382 D C 0.089 176.335 176.300 -0.090 0.000 1.157 382 D CA 1.369 55.328 54.000 -0.068 0.000 0.716 382 D CB -1.337 39.410 40.800 -0.089 0.000 1.077 382 D HN 0.509 nan 8.370 nan 0.000 0.428 383 L N -0.603 120.576 121.223 -0.075 0.000 3.168 383 L HA 0.207 4.548 4.340 0.001 0.000 0.277 383 L C 1.920 178.817 176.870 0.044 0.000 1.245 383 L CA 0.032 54.823 54.840 -0.082 0.000 1.035 383 L CB 0.316 42.231 42.059 -0.239 0.000 1.399 383 L HN 0.012 nan 8.230 nan 0.000 0.580 384 T N 1.422 116.021 114.554 0.076 0.000 2.653 384 T HA -0.131 4.220 4.350 0.001 0.000 0.268 384 T C -0.481 174.274 174.700 0.092 0.000 1.035 384 T CA 1.942 64.120 62.100 0.129 0.000 1.154 384 T CB -0.768 68.181 68.868 0.136 0.000 0.862 384 T HN 0.314 nan 8.240 nan 0.000 0.441 385 P HA 0.050 nan 4.420 nan 0.000 0.220 385 P C 1.426 178.799 177.300 0.122 0.000 1.152 385 P CA 1.059 64.202 63.100 0.071 0.000 0.812 385 P CB -0.087 31.643 31.700 0.051 0.000 0.792 386 S N -0.063 115.735 115.700 0.164 0.000 2.446 386 S HA -0.004 4.467 4.470 0.001 0.000 0.225 386 S C 1.661 176.464 174.600 0.339 0.000 1.016 386 S CA 0.779 59.145 58.200 0.276 0.000 0.943 386 S CB -1.031 62.371 63.200 0.336 0.000 0.786 386 S HN 0.299 nan 8.310 nan 0.000 0.508 387 N N 1.530 120.391 118.700 0.268 0.000 2.424 387 N HA 0.295 5.036 4.740 0.001 0.000 0.178 387 N C -0.350 175.296 175.510 0.227 0.000 1.060 387 N CA 0.005 53.221 53.050 0.277 0.000 0.901 387 N CB -0.262 38.378 38.487 0.255 0.000 0.979 387 N HN 0.133 nan 8.380 nan 0.000 0.451 388 L N 1.158 122.487 121.223 0.176 0.000 3.854 388 L HA -0.262 4.079 4.340 0.001 0.000 0.460 388 L C 0.816 177.784 176.870 0.162 0.000 1.228 388 L CA 0.150 55.070 54.840 0.134 0.000 0.760 388 L CB -1.954 40.176 42.059 0.119 0.000 1.597 388 L HN 0.277 nan 8.230 nan 0.000 0.852 389 T N -1.357 113.318 114.554 0.202 0.000 3.001 389 T HA 0.091 4.442 4.350 0.001 0.000 0.251 389 T C 0.907 175.789 174.700 0.302 0.000 1.040 389 T CA 0.038 62.350 62.100 0.353 0.000 0.985 389 T CB 0.164 69.290 68.868 0.430 0.000 1.011 389 T HN 0.427 nan 8.240 nan 0.000 0.509 390 R N 1.638 122.076 120.500 -0.105 0.000 2.207 390 R HA 0.418 4.759 4.340 0.001 0.000 0.334 390 R C -0.719 175.348 176.300 -0.389 0.000 1.013 390 R CA -1.030 54.624 56.100 -0.743 0.000 0.858 390 R CB 0.132 29.896 30.300 -0.894 0.000 1.094 390 R HN 0.429 nan 8.270 nan 0.000 0.457 391 W N 4.281 125.390 121.300 -0.318 0.000 2.251 391 W HA 0.345 5.006 4.660 0.001 0.000 0.329 391 W C 0.786 177.102 176.519 -0.338 0.000 1.234 391 W CA -1.029 56.116 57.345 -0.334 0.000 1.228 391 W CB 0.637 29.772 29.460 -0.542 0.000 1.135 391 W HN 0.574 nan 8.180 nan 0.000 0.576 392 K N 0.570 120.952 120.400 -0.030 0.000 2.032 392 K HA -0.255 4.066 4.320 0.001 0.000 0.209 392 K C 1.447 178.016 176.600 -0.053 0.000 1.048 392 K CA 1.897 58.149 56.287 -0.058 0.000 0.927 392 K CB -0.103 32.400 32.500 0.005 0.000 0.712 392 K HN 0.750 nan 8.250 nan 0.000 0.441 393 E N 0.428 120.652 120.200 0.039 0.000 2.382 393 E HA 0.027 4.378 4.350 0.001 0.000 0.190 393 E C -0.895 175.747 176.600 0.069 0.000 1.125 393 E CA -0.388 56.067 56.400 0.091 0.000 0.929 393 E CB 0.138 29.973 29.700 0.225 0.000 1.053 393 E HN 0.299 nan 8.360 nan 0.000 0.475 394 A N 0.948 123.652 122.820 -0.194 0.000 2.340 394 A HA 0.356 4.677 4.320 0.001 0.000 0.268 394 A C -0.509 176.970 177.584 -0.175 0.000 1.100 394 A CA -0.510 51.324 52.037 -0.340 0.000 0.803 394 A CB 0.622 18.922 19.000 -1.167 0.000 1.043 394 A HN 0.280 nan 8.150 nan 0.000 0.488 395 L N 1.655 122.849 121.223 -0.048 0.000 2.309 395 L HA 0.492 4.833 4.340 0.001 0.000 0.282 395 L C -0.783 176.076 176.870 -0.020 0.000 1.036 395 L CA -0.374 54.452 54.840 -0.023 0.000 0.806 395 L CB 1.332 43.413 42.059 0.036 0.000 1.220 395 L HN 0.629 nan 8.230 nan 0.000 0.429 396 D N 3.221 123.606 120.400 -0.025 0.000 2.304 396 D HA 0.098 4.739 4.640 0.001 0.000 0.247 396 D C -0.694 175.629 176.300 0.039 0.000 1.089 396 D CA 0.232 54.245 54.000 0.022 0.000 0.910 396 D CB 0.787 41.590 40.800 0.005 0.000 1.199 396 D HN 0.413 nan 8.370 nan 0.000 0.426 397 F N 2.970 122.867 119.950 -0.088 0.000 2.468 397 F HA 0.099 4.627 4.527 0.001 0.000 0.356 397 F C -0.073 175.660 175.800 -0.111 0.000 1.167 397 F CA 0.311 58.260 58.000 -0.086 0.000 1.135 397 F CB 0.008 38.935 39.000 -0.121 0.000 1.197 397 F HN -0.005 nan 8.300 nan 0.000 0.569 398 Q N 6.594 126.132 119.800 -0.437 0.000 2.456 398 Q HA 0.394 4.735 4.340 0.001 0.000 0.283 398 Q C -2.663 172.824 176.000 -0.854 0.000 1.084 398 Q CA -2.325 53.199 55.803 -0.466 0.000 0.801 398 Q CB 1.959 30.543 28.738 -0.258 0.000 1.434 398 Q HN 0.303 nan 8.270 nan 0.000 0.419 399 P HA 0.027 nan 4.420 nan 0.000 0.266 399 P C -1.930 174.969 177.300 -0.669 0.000 1.195 399 P CA -0.712 61.790 63.100 -0.996 0.000 0.768 399 P CB 0.124 31.479 31.700 -0.576 0.000 0.838 400 P HA -0.232 nan 4.420 nan 0.000 0.216 400 P C 1.535 178.693 177.300 -0.237 0.000 1.153 400 P CA 1.951 64.849 63.100 -0.337 0.000 0.858 400 P CB -0.382 31.165 31.700 -0.255 0.000 0.789 401 S N -0.436 115.131 115.700 -0.222 0.000 2.420 401 S HA -0.218 4.253 4.470 0.001 0.000 0.237 401 S C 2.085 176.598 174.600 -0.146 0.000 1.023 401 S CA 1.667 59.773 58.200 -0.156 0.000 0.991 401 S CB -1.735 61.382 63.200 -0.138 0.000 0.792 401 S HN 0.302 nan 8.310 nan 0.000 0.488 402 S N 1.449 117.036 115.700 -0.188 0.000 2.402 402 S HA 0.195 4.665 4.470 0.001 0.000 0.229 402 S C 2.061 176.595 174.600 -0.110 0.000 1.021 402 S CA 1.431 59.544 58.200 -0.146 0.000 0.974 402 S CB -1.255 61.841 63.200 -0.174 0.000 0.800 402 S HN 1.538 nan 8.310 nan 0.000 0.484 403 G N 0.627 109.354 108.800 -0.122 0.000 2.377 403 G HA2 -0.371 3.590 3.960 0.001 0.000 0.250 403 G HA3 -0.371 3.590 3.960 0.001 0.000 0.250 403 G C 1.211 176.059 174.900 -0.087 0.000 1.039 403 G CA 0.866 45.910 45.100 -0.093 0.000 0.625 403 G HN 1.033 nan 8.290 nan 0.000 0.526 404 S N 0.655 116.303 115.700 -0.087 0.000 2.507 404 S HA 0.424 4.895 4.470 0.001 0.000 0.235 404 S C 1.360 175.909 174.600 -0.084 0.000 0.988 404 S CA 1.457 59.613 58.200 -0.073 0.000 0.944 404 S CB 0.137 63.305 63.200 -0.054 0.000 0.762 404 S HN 2.145 nan 8.310 nan 0.000 0.526 405 G N 1.117 109.846 108.800 -0.118 0.000 2.360 405 G HA2 0.432 4.393 3.960 0.001 0.000 0.276 405 G HA3 0.432 4.393 3.960 0.001 0.000 0.276 405 G C -1.912 172.872 174.900 -0.193 0.000 1.256 405 G CA -0.436 44.590 45.100 -0.124 0.000 0.890 405 G HN 0.461 nan 8.290 nan 0.000 0.486 406 N N -3.249 115.324 118.700 -0.211 0.000 3.106 406 N HA 0.427 5.168 4.740 0.001 0.000 0.253 406 N C -0.039 175.262 175.510 -0.348 0.000 1.506 406 N CA -0.824 52.027 53.050 -0.332 0.000 0.876 406 N CB 0.418 38.776 38.487 -0.215 0.000 1.452 406 N HN 0.324 nan 8.380 nan 0.000 0.542 407 Y N -0.497 119.573 120.300 -0.382 0.000 2.569 407 Y HA -0.027 4.524 4.550 0.002 0.000 0.293 407 Y C 2.213 178.084 175.900 -0.048 0.000 1.144 407 Y CA 1.206 59.025 58.100 -0.468 0.000 1.321 407 Y CB -0.514 37.724 38.460 -0.369 0.000 0.982 407 Y HN 0.736 nan 8.280 nan 0.000 0.558 408 S N -1.163 114.610 115.700 0.122 0.000 2.558 408 S HA 0.174 4.645 4.470 0.001 0.000 0.217 408 S C 1.369 176.069 174.600 0.167 0.000 0.975 408 S CA 0.052 58.328 58.200 0.128 0.000 0.912 408 S CB -0.564 62.664 63.200 0.046 0.000 0.776 408 S HN 0.248 nan 8.310 nan 0.000 0.526 409 G N 0.742 109.644 108.800 0.169 0.000 2.554 409 G HA2 0.344 4.305 3.960 0.001 0.000 0.238 409 G HA3 0.344 4.305 3.960 0.001 0.000 0.238 409 G C 0.278 175.332 174.900 0.256 0.000 1.259 409 G CA -0.770 44.435 45.100 0.175 0.000 0.843 409 G HN 0.439 nan 8.290 nan 0.000 0.582 410 R N 0.108 120.741 120.500 0.222 0.000 2.596 410 R HA 0.112 4.452 4.340 0.001 0.000 0.369 410 R C -0.983 175.376 176.300 0.099 0.000 1.042 410 R CA -0.288 55.946 56.100 0.224 0.000 1.120 410 R CB 0.594 31.144 30.300 0.417 0.000 1.353 410 R HN 0.552 nan 8.270 nan 0.000 0.564 411 Y N 0.988 121.184 120.300 -0.174 0.000 2.328 411 Y HA 0.420 4.971 4.550 0.001 0.000 0.333 411 Y C -0.513 175.240 175.900 -0.244 0.000 0.958 411 Y CA -1.083 56.815 58.100 -0.336 0.000 1.167 411 Y CB 0.766 38.923 38.460 -0.505 0.000 1.151 411 Y HN -0.083 nan 8.280 nan 0.000 0.470 412 I N 6.816 126.931 120.570 -0.759 0.000 2.342 412 I HA 0.359 4.530 4.170 0.001 0.000 0.291 412 I C -0.076 175.569 176.117 -0.786 0.000 1.010 412 I CA -0.821 60.039 61.300 -0.733 0.000 1.308 412 I CB 0.698 38.054 38.000 -1.074 0.000 1.400 412 I HN 0.381 nan 8.210 nan 0.000 0.488 413 R N 6.434 126.671 120.500 -0.438 0.000 2.408 413 R HA 0.148 4.489 4.340 0.001 0.000 0.308 413 R C -0.059 176.091 176.300 -0.250 0.000 1.210 413 R CA -0.224 55.720 56.100 -0.260 0.000 1.115 413 R CB -0.171 30.058 30.300 -0.118 0.000 1.127 413 R HN 0.621 nan 8.270 nan 0.000 0.523 414 Y N 0.650 120.829 120.300 -0.203 0.000 2.516 414 Y HA -0.010 4.541 4.550 0.001 0.000 0.291 414 Y C 1.873 177.694 175.900 -0.132 0.000 1.131 414 Y CA 1.058 59.060 58.100 -0.163 0.000 1.281 414 Y CB 0.164 38.514 38.460 -0.182 0.000 1.013 414 Y HN 0.834 nan 8.280 nan 0.000 0.554 415 G N 0.753 109.556 108.800 0.005 0.000 2.750 415 G HA2 -0.297 3.664 3.960 0.001 0.000 0.228 415 G HA3 -0.297 3.664 3.960 0.001 0.000 0.228 415 G C -0.627 174.248 174.900 -0.043 0.000 1.367 415 G CA -0.421 44.655 45.100 -0.041 0.000 0.871 415 G HN 0.102 nan 8.290 nan 0.000 0.560 416 I N 1.348 121.877 120.570 -0.069 0.000 2.213 416 I HA 0.392 4.563 4.170 0.001 0.000 0.295 416 I C 1.162 177.242 176.117 -0.061 0.000 1.172 416 I CA 0.545 61.786 61.300 -0.097 0.000 1.443 416 I CB 0.216 38.138 38.000 -0.129 0.000 1.491 416 I HN 0.388 nan 8.210 nan 0.000 0.652 417 R N 3.136 123.614 120.500 -0.037 0.000 2.674 417 R HA 0.216 4.557 4.340 0.001 0.000 0.270 417 R C 0.686 176.993 176.300 0.012 0.000 1.492 417 R CA -0.188 55.913 56.100 0.001 0.000 1.624 417 R CB 0.531 30.837 30.300 0.009 0.000 1.307 417 R HN 0.303 nan 8.270 nan 0.000 0.683 418 E N -0.212 120.021 120.200 0.055 0.000 2.077 418 E HA -0.222 4.129 4.350 0.001 0.000 0.193 418 E C 1.402 178.146 176.600 0.240 0.000 0.989 418 E CA 1.411 57.891 56.400 0.134 0.000 0.800 418 E CB -0.018 29.796 29.700 0.189 0.000 0.746 418 E HN 0.517 nan 8.360 nan 0.000 0.452 419 H N -0.640 118.515 119.070 0.141 0.000 2.357 419 H HA 0.023 4.580 4.556 0.001 0.000 0.301 419 H C 1.969 177.336 175.328 0.065 0.000 1.082 419 H CA 0.969 57.095 56.048 0.130 0.000 1.342 419 H CB 0.123 29.943 29.762 0.097 0.000 1.389 419 H HN 0.225 nan 8.280 nan 0.000 0.511 420 A N 0.817 123.736 122.820 0.165 0.000 1.930 420 A HA -0.172 4.149 4.320 0.001 0.000 0.217 420 A C 2.437 180.002 177.584 -0.032 0.000 1.175 420 A CA 1.411 53.474 52.037 0.044 0.000 0.627 420 A CB -0.726 18.277 19.000 0.005 0.000 0.815 420 A HN 0.620 nan 8.150 nan 0.000 0.443 421 M N -0.102 119.391 119.600 -0.178 0.000 2.108 421 M HA -0.113 4.368 4.480 0.001 0.000 0.261 421 M C 2.015 178.045 176.300 -0.450 0.000 1.066 421 M CA 1.961 56.884 55.300 -0.628 0.000 1.107 421 M CB -0.416 31.609 32.600 -0.959 0.000 1.356 421 M HN 0.382 nan 8.290 nan 0.000 0.406 422 G N -0.545 108.194 108.800 -0.101 0.000 2.418 422 G HA2 -0.153 3.808 3.960 0.001 0.000 0.217 422 G HA3 -0.153 3.808 3.960 0.001 0.000 0.217 422 G C 1.464 176.396 174.900 0.054 0.000 1.158 422 G CA 0.883 46.050 45.100 0.112 0.000 0.771 422 G HN 0.633 nan 8.290 nan 0.000 0.545 423 A N 0.414 123.281 122.820 0.078 0.000 1.929 423 A HA 0.205 4.525 4.320 0.001 0.000 0.216 423 A C 2.366 179.916 177.584 -0.056 0.000 1.176 423 A CA 0.875 52.932 52.037 0.033 0.000 0.628 423 A CB -0.250 18.785 19.000 0.057 0.000 0.816 423 A HN 0.356 nan 8.150 nan 0.000 0.444 424 I N -0.630 119.897 120.570 -0.071 0.000 2.315 424 I HA -0.286 3.885 4.170 0.001 0.000 0.248 424 I C 2.679 178.708 176.117 -0.146 0.000 1.117 424 I CA 1.318 62.566 61.300 -0.087 0.000 1.404 424 I CB -0.244 37.760 38.000 0.006 0.000 1.071 424 I HN 0.345 nan 8.210 nan 0.000 0.419 425 M N 0.020 119.507 119.600 -0.189 0.000 2.117 425 M HA -0.195 4.286 4.480 0.001 0.000 0.262 425 M C 2.003 178.181 176.300 -0.204 0.000 1.065 425 M CA 1.563 56.733 55.300 -0.217 0.000 1.114 425 M CB -0.607 31.806 32.600 -0.310 0.000 1.361 425 M HN 0.266 nan 8.290 nan 0.000 0.408 426 N N 0.710 119.294 118.700 -0.194 0.000 2.069 426 N HA -0.118 4.623 4.740 0.001 0.000 0.191 426 N C 1.779 176.998 175.510 -0.484 0.000 1.031 426 N CA 1.818 54.665 53.050 -0.339 0.000 0.852 426 N CB -0.888 37.468 38.487 -0.218 0.000 1.018 426 N HN 0.439 nan 8.380 nan 0.000 0.423 427 G N 1.217 109.841 108.800 -0.292 0.000 2.418 427 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 427 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 427 G C 1.705 176.488 174.900 -0.196 0.000 1.158 427 G CA 0.503 45.468 45.100 -0.225 0.000 0.771 427 G HN 0.278 nan 8.290 nan 0.000 0.545 428 I N 0.763 121.191 120.570 -0.236 0.000 2.163 428 I HA -0.213 3.958 4.170 0.001 0.000 0.243 428 I C 3.031 179.086 176.117 -0.103 0.000 1.085 428 I CA 1.463 62.594 61.300 -0.283 0.000 1.347 428 I CB -0.296 37.486 38.000 -0.364 0.000 1.044 428 I HN 0.285 nan 8.210 nan 0.000 0.408 429 S N 0.606 116.247 115.700 -0.099 0.000 2.356 429 S HA -0.184 4.287 4.470 0.001 0.000 0.223 429 S C 2.177 176.792 174.600 0.025 0.000 1.032 429 S CA 1.442 59.638 58.200 -0.006 0.000 1.005 429 S CB -0.279 62.894 63.200 -0.045 0.000 0.867 429 S HN 0.469 nan 8.310 nan 0.000 0.449 430 A N 0.047 122.770 122.820 -0.162 0.000 2.125 430 A HA 0.042 4.363 4.320 0.001 0.000 0.219 430 A C 1.851 179.525 177.584 0.150 0.000 1.156 430 A CA 1.175 53.197 52.037 -0.024 0.000 0.671 430 A CB -0.937 17.917 19.000 -0.243 0.000 0.794 430 A HN 0.717 nan 8.150 nan 0.000 0.459 431 F N 0.191 120.127 119.950 -0.023 0.000 2.234 431 F HA 0.271 4.799 4.527 0.002 0.000 0.299 431 F C 1.360 177.187 175.800 0.044 0.000 1.087 431 F CA 1.329 59.321 58.000 -0.013 0.000 1.340 431 F CB -0.068 38.891 39.000 -0.069 0.000 1.031 431 F HN 0.537 nan 8.300 nan 0.000 0.500 432 G N -0.625 108.306 108.800 0.219 0.000 2.428 432 G HA2 0.256 4.217 3.960 0.001 0.000 0.202 432 G HA3 0.256 4.217 3.960 0.001 0.000 0.202 432 G C 0.421 175.446 174.900 0.207 0.000 1.247 432 G CA 0.076 45.239 45.100 0.104 0.000 1.020 432 G HN 1.330 nan 8.290 nan 0.000 0.529 433 A N -1.136 121.709 122.820 0.042 0.000 2.799 433 A HA -0.042 4.279 4.320 0.001 0.000 0.287 433 A C 1.452 178.963 177.584 -0.121 0.000 1.484 433 A CA 2.147 54.163 52.037 -0.036 0.000 0.813 433 A CB -1.889 17.109 19.000 -0.004 0.000 1.009 433 A HN 2.912 nan 8.150 nan 0.000 0.545 434 N N -3.376 115.302 118.700 -0.036 0.000 2.693 434 N HA -0.229 4.511 4.740 0.001 0.000 0.249 434 N C -0.284 175.186 175.510 -0.067 0.000 1.119 434 N CA 1.576 54.599 53.050 -0.045 0.000 0.717 434 N CB -1.841 36.600 38.487 -0.077 0.000 1.071 434 N HN 0.809 nan 8.380 nan 0.000 0.555 435 Y N 0.426 120.755 120.300 0.049 0.000 2.805 435 Y HA -0.001 4.550 4.550 0.001 0.000 0.331 435 Y C 1.021 176.925 175.900 0.007 0.000 1.241 435 Y CA 0.501 58.616 58.100 0.024 0.000 1.546 435 Y CB 0.566 39.031 38.460 0.008 0.000 1.248 435 Y HN -0.096 nan 8.280 nan 0.000 0.559 436 K N 6.314 126.815 120.400 0.168 0.000 2.432 436 K HA 0.287 4.608 4.320 0.001 0.000 0.226 436 K C -2.829 173.865 176.600 0.157 0.000 1.057 436 K CA -2.045 54.312 56.287 0.116 0.000 1.034 436 K CB 0.581 33.109 32.500 0.047 0.000 1.561 436 K HN 0.346 nan 8.250 nan 0.000 0.492 437 P HA 0.122 nan 4.420 nan 0.000 0.275 437 P C -0.877 176.480 177.300 0.095 0.000 1.227 437 P CA -0.187 62.930 63.100 0.029 0.000 0.781 437 P CB 0.351 31.998 31.700 -0.088 0.000 0.906 438 Y N -0.566 119.712 120.300 -0.036 0.000 2.553 438 Y HA 0.845 5.396 4.550 0.001 0.000 0.347 438 Y C -0.623 175.186 175.900 -0.151 0.000 1.019 438 Y CA -1.389 56.664 58.100 -0.078 0.000 1.032 438 Y CB 1.363 39.861 38.460 0.064 0.000 1.284 438 Y HN 0.568 nan 8.280 nan 0.000 0.466 439 G N 0.193 108.914 108.800 -0.131 0.000 2.662 439 G HA2 0.546 4.507 3.960 0.001 0.000 0.302 439 G HA3 0.546 4.507 3.960 0.001 0.000 0.302 439 G C -1.207 173.653 174.900 -0.066 0.000 1.389 439 G CA -0.732 44.187 45.100 -0.301 0.000 0.998 439 G HN 1.077 nan 8.290 nan 0.000 0.502 440 G N -0.518 108.307 108.800 0.041 0.000 2.371 440 G HA2 0.684 4.645 3.960 0.001 0.000 0.326 440 G HA3 0.684 4.645 3.960 0.001 0.000 0.326 440 G C -0.551 174.417 174.900 0.115 0.000 1.127 440 G CA -0.146 45.050 45.100 0.159 0.000 0.885 440 G HN 0.854 nan 8.290 nan 0.000 0.477 441 T N -0.245 114.429 114.554 0.200 0.000 2.677 441 T HA 0.497 4.847 4.350 0.001 0.000 0.305 441 T C -1.358 173.518 174.700 0.294 0.000 1.569 441 T CA -0.619 61.569 62.100 0.146 0.000 0.984 441 T CB 0.546 69.514 68.868 0.167 0.000 1.629 441 T HN 0.195 nan 8.240 nan 0.000 0.494 442 F N 2.351 122.388 119.950 0.145 0.000 2.471 442 F HA 0.351 4.879 4.527 0.001 0.000 0.353 442 F C 1.450 177.250 175.800 0.001 0.000 1.113 442 F CA -1.285 56.755 58.000 0.066 0.000 1.262 442 F CB 0.326 39.314 39.000 -0.020 0.000 1.146 442 F HN 0.484 nan 8.300 nan 0.000 0.578 443 L N 2.723 124.047 121.223 0.169 0.000 2.042 443 L HA -0.250 4.091 4.340 0.001 0.000 0.210 443 L C 1.959 178.801 176.870 -0.048 0.000 1.076 443 L CA 1.794 56.666 54.840 0.053 0.000 0.749 443 L CB -0.979 41.101 42.059 0.035 0.000 0.893 443 L HN 0.679 nan 8.230 nan 0.000 0.432 444 N N -1.182 117.391 118.700 -0.212 0.000 2.348 444 N HA -0.196 4.545 4.740 0.001 0.000 0.185 444 N C 1.054 176.304 175.510 -0.433 0.000 1.019 444 N CA 1.304 54.112 53.050 -0.404 0.000 0.880 444 N CB -0.129 37.940 38.487 -0.696 0.000 0.965 444 N HN 0.424 nan 8.380 nan 0.000 0.437 445 F N -1.424 118.547 119.950 0.035 0.000 2.678 445 F HA 0.293 4.821 4.527 0.001 0.000 0.305 445 F C 1.689 177.486 175.800 -0.005 0.000 1.090 445 F CA -0.314 57.648 58.000 -0.063 0.000 1.272 445 F CB -0.287 38.555 39.000 -0.263 0.000 1.060 445 F HN -0.157 nan 8.300 nan 0.000 0.576 446 V N -0.700 119.262 119.914 0.080 0.000 2.720 446 V HA -0.235 3.886 4.120 0.001 0.000 0.256 446 V C 2.063 178.129 176.094 -0.046 0.000 1.082 446 V CA 2.061 64.252 62.300 -0.182 0.000 1.101 446 V CB -0.845 30.731 31.823 -0.412 0.000 0.693 446 V HN 0.304 nan 8.190 nan 0.000 0.479 447 S N -1.296 114.505 115.700 0.169 0.000 2.447 447 S HA -0.133 4.337 4.470 0.001 0.000 0.233 447 S C 1.754 176.501 174.600 0.245 0.000 1.006 447 S CA 0.886 59.227 58.200 0.235 0.000 0.957 447 S CB -0.378 62.950 63.200 0.214 0.000 0.773 447 S HN 0.607 nan 8.310 nan 0.000 0.507 448 Y N 1.539 121.887 120.300 0.080 0.000 2.333 448 Y HA 0.050 4.600 4.550 0.001 0.000 0.290 448 Y C 2.234 178.099 175.900 -0.058 0.000 1.144 448 Y CA 0.301 58.434 58.100 0.055 0.000 1.228 448 Y CB -0.370 38.144 38.460 0.091 0.000 0.985 448 Y HN 0.297 nan 8.280 nan 0.000 0.542 449 A N -1.016 121.817 122.820 0.021 0.000 2.379 449 A HA 0.467 4.787 4.320 0.001 0.000 0.236 449 A C 2.173 179.557 177.584 -0.333 0.000 1.272 449 A CA 0.571 52.455 52.037 -0.255 0.000 0.886 449 A CB -0.818 18.178 19.000 -0.008 0.000 0.962 449 A HN 0.277 nan 8.150 nan 0.000 0.504 450 A N 0.141 122.881 122.820 -0.134 0.000 1.958 450 A HA -0.055 4.266 4.320 0.001 0.000 0.221 450 A C 2.316 179.883 177.584 -0.028 0.000 1.178 450 A CA 2.108 54.166 52.037 0.036 0.000 0.642 450 A CB -1.204 17.877 19.000 0.135 0.000 0.816 450 A HN 0.812 nan 8.150 nan 0.000 0.453 451 G N -0.835 107.869 108.800 -0.160 0.000 2.469 451 G HA2 -0.057 3.904 3.960 0.001 0.000 0.219 451 G HA3 -0.057 3.904 3.960 0.001 0.000 0.219 451 G C 1.687 176.636 174.900 0.081 0.000 1.150 451 G CA 1.650 46.754 45.100 0.007 0.000 0.763 451 G HN 0.901 nan 8.290 nan 0.000 0.561 452 A N -0.294 122.552 122.820 0.045 0.000 1.911 452 A HA 0.305 4.626 4.320 0.001 0.000 0.212 452 A C 2.554 180.203 177.584 0.110 0.000 1.189 452 A CA 1.304 53.428 52.037 0.145 0.000 0.639 452 A CB -0.414 18.720 19.000 0.223 0.000 0.839 452 A HN 0.220 nan 8.150 nan 0.000 0.449 453 V N 0.674 120.612 119.914 0.041 0.000 2.324 453 V HA -0.309 3.812 4.120 0.001 0.000 0.250 453 V C 2.654 178.762 176.094 0.023 0.000 1.060 453 V CA 2.455 64.738 62.300 -0.029 0.000 1.042 453 V CB -0.873 30.758 31.823 -0.321 0.000 0.650 453 V HN 0.690 nan 8.190 nan 0.000 0.450 454 R N -0.225 120.312 120.500 0.063 0.000 2.096 454 R HA -0.106 4.234 4.340 0.001 0.000 0.235 454 R C 2.188 178.525 176.300 0.062 0.000 1.127 454 R CA 1.479 57.623 56.100 0.072 0.000 0.968 454 R CB -0.212 30.137 30.300 0.082 0.000 0.861 454 R HN 0.478 nan 8.270 nan 0.000 0.440 455 L N 0.130 121.398 121.223 0.075 0.000 2.240 455 L HA -0.039 4.302 4.340 0.001 0.000 0.211 455 L C 2.292 179.203 176.870 0.068 0.000 1.106 455 L CA 0.729 55.613 54.840 0.075 0.000 0.793 455 L CB -0.127 41.990 42.059 0.097 0.000 0.927 455 L HN 0.190 nan 8.230 nan 0.000 0.446 456 S N 0.390 116.150 115.700 0.099 0.000 2.370 456 S HA -0.193 4.278 4.470 0.001 0.000 0.226 456 S C 2.196 176.800 174.600 0.006 0.000 1.033 456 S CA 1.347 59.607 58.200 0.099 0.000 1.011 456 S CB -0.244 63.036 63.200 0.133 0.000 0.852 456 S HN 0.518 nan 8.310 nan 0.000 0.457 457 A N 1.262 124.088 122.820 0.009 0.000 1.872 457 A HA 0.132 4.453 4.320 0.001 0.000 0.214 457 A C 2.113 179.705 177.584 0.012 0.000 1.187 457 A CA 0.885 52.922 52.037 -0.001 0.000 0.614 457 A CB -0.757 18.245 19.000 0.004 0.000 0.826 457 A HN 0.428 nan 8.150 nan 0.000 0.442 458 L N 0.464 121.700 121.223 0.022 0.000 2.012 458 L HA -0.214 4.127 4.340 0.001 0.000 0.210 458 L C 2.695 179.579 176.870 0.024 0.000 1.073 458 L CA 2.211 57.072 54.840 0.034 0.000 0.748 458 L CB -0.179 41.908 42.059 0.047 0.000 0.891 458 L HN 0.536 nan 8.230 nan 0.000 0.431 459 S N -1.125 114.547 115.700 -0.048 0.000 2.470 459 S HA 0.170 4.640 4.470 0.001 0.000 0.225 459 S C 1.229 175.769 174.600 -0.100 0.000 1.006 459 S CA 0.313 58.458 58.200 -0.092 0.000 0.934 459 S CB 0.297 63.255 63.200 -0.403 0.000 0.778 459 S HN 0.653 nan 8.310 nan 0.000 0.517 460 G N 2.190 110.907 108.800 -0.140 0.000 2.303 460 G HA2 -0.168 3.793 3.960 0.001 0.000 0.260 460 G HA3 -0.168 3.793 3.960 0.001 0.000 0.260 460 G C -0.524 174.340 174.900 -0.061 0.000 1.106 460 G CA -0.474 44.626 45.100 -0.001 0.000 0.900 460 G HN 0.579 nan 8.290 nan 0.000 0.495 461 H N 0.374 119.449 119.070 0.009 0.000 2.652 461 H HA 0.309 4.866 4.556 0.001 0.000 0.298 461 H C -1.946 173.386 175.328 0.007 0.000 1.076 461 H CA -1.858 54.166 56.048 -0.040 0.000 1.360 461 H CB 1.721 31.404 29.762 -0.132 0.000 1.421 461 H HN 0.198 nan 8.280 nan 0.000 0.464 462 P HA -0.033 nan 4.420 nan 0.000 0.226 462 P C 0.263 177.607 177.300 0.072 0.000 1.783 462 P CA -0.168 62.980 63.100 0.079 0.000 0.980 462 P CB -0.428 31.305 31.700 0.055 0.000 1.967 463 V N -0.214 119.746 119.914 0.077 0.000 2.834 463 V HA 0.424 4.545 4.120 0.001 0.000 0.301 463 V C 0.169 176.296 176.094 0.056 0.000 1.066 463 V CA -0.624 61.696 62.300 0.033 0.000 1.052 463 V CB 0.921 32.732 31.823 -0.020 0.000 1.021 463 V HN 0.027 nan 8.190 nan 0.000 0.480 464 I N 2.595 123.178 120.570 0.020 0.000 2.406 464 I HA 0.390 4.560 4.170 0.001 0.000 0.290 464 I C -1.072 175.055 176.117 0.016 0.000 0.999 464 I CA -0.156 61.186 61.300 0.069 0.000 1.124 464 I CB 1.703 39.752 38.000 0.081 0.000 1.289 464 I HN 0.679 nan 8.210 nan 0.000 0.441 465 W N 5.868 127.169 121.300 0.001 0.000 2.316 465 W HA 0.452 5.113 4.660 0.001 0.000 0.308 465 W C -0.388 176.154 176.519 0.038 0.000 1.106 465 W CA -0.574 56.772 57.345 0.002 0.000 1.262 465 W CB 1.350 30.755 29.460 -0.092 0.000 1.233 465 W HN 0.104 nan 8.180 nan 0.000 0.447 466 V N 4.763 124.844 119.914 0.279 0.000 2.284 466 V HA 0.386 4.507 4.120 0.001 0.000 0.260 466 V C 0.426 176.685 176.094 0.275 0.000 1.084 466 V CA -0.794 61.655 62.300 0.247 0.000 0.894 466 V CB -0.022 31.967 31.823 0.277 0.000 1.119 466 V HN 0.593 nan 8.190 nan 0.000 0.484 467 A N 4.198 127.163 122.820 0.242 0.000 2.621 467 A HA 0.611 4.932 4.320 0.001 0.000 0.329 467 A C 0.788 178.505 177.584 0.222 0.000 1.458 467 A CA -0.273 51.904 52.037 0.233 0.000 1.052 467 A CB -0.007 19.085 19.000 0.153 0.000 1.142 467 A HN 0.786 nan 8.150 nan 0.000 0.523 468 T N -0.780 113.958 114.554 0.307 0.000 2.810 468 T HA 0.435 4.786 4.350 0.001 0.000 0.277 468 T C 0.294 175.182 174.700 0.313 0.000 0.973 468 T CA 0.010 62.305 62.100 0.325 0.000 0.949 468 T CB 0.019 69.181 68.868 0.491 0.000 1.075 468 T HN 0.818 nan 8.240 nan 0.000 0.537 469 H N 0.067 119.126 119.070 -0.019 0.000 2.748 469 H HA -0.089 4.468 4.556 0.001 0.000 0.322 469 H C 0.639 175.897 175.328 -0.116 0.000 1.208 469 H CA 0.844 56.791 56.048 -0.168 0.000 1.151 469 H CB -1.851 27.577 29.762 -0.556 0.000 1.505 469 H HN 0.835 nan 8.280 nan 0.000 0.429 470 D N -0.817 119.579 120.400 -0.008 0.000 2.378 470 D HA -0.011 4.629 4.640 0.001 0.000 0.227 470 D C 0.819 177.092 176.300 -0.045 0.000 1.012 470 D CA 0.978 54.974 54.000 -0.007 0.000 0.905 470 D CB 0.269 41.078 40.800 0.015 0.000 0.895 470 D HN 0.545 nan 8.370 nan 0.000 0.532 471 S N -1.006 114.652 115.700 -0.071 0.000 2.683 471 S HA 0.215 4.686 4.470 0.001 0.000 0.269 471 S C 1.130 175.640 174.600 -0.151 0.000 1.165 471 S CA -0.406 57.722 58.200 -0.121 0.000 0.840 471 S CB -0.249 62.880 63.200 -0.118 0.000 1.169 471 S HN 0.060 nan 8.310 nan 0.000 0.490 472 I N -0.492 119.920 120.570 -0.264 0.000 2.597 472 I HA 0.084 4.255 4.170 0.001 0.000 0.262 472 I C 1.853 177.833 176.117 -0.228 0.000 1.194 472 I CA 1.713 62.839 61.300 -0.290 0.000 1.437 472 I CB -1.201 36.509 38.000 -0.483 0.000 1.096 472 I HN 0.748 nan 8.210 nan 0.000 0.451 473 G N 1.165 109.907 108.800 -0.095 0.000 2.535 473 G HA2 -0.091 3.870 3.960 0.001 0.000 0.218 473 G HA3 -0.091 3.870 3.960 0.001 0.000 0.218 473 G C 1.529 176.445 174.900 0.027 0.000 1.122 473 G CA 0.773 45.979 45.100 0.177 0.000 0.769 473 G HN 0.386 nan 8.290 nan 0.000 0.549 474 V N 0.877 120.767 119.914 -0.041 0.000 2.287 474 V HA 0.040 4.161 4.120 0.001 0.000 0.248 474 V C 2.589 178.681 176.094 -0.002 0.000 1.053 474 V CA 2.097 64.376 62.300 -0.036 0.000 1.027 474 V CB -1.139 30.669 31.823 -0.024 0.000 0.646 474 V HN 0.840 nan 8.190 nan 0.000 0.447 475 G N -0.358 108.442 108.800 0.000 0.000 2.720 475 G HA2 -0.413 3.548 3.960 0.001 0.000 0.293 475 G HA3 -0.413 3.548 3.960 0.001 0.000 0.293 475 G C 0.698 175.599 174.900 0.002 0.000 1.256 475 G CA 0.547 45.657 45.100 0.015 0.000 0.974 475 G HN 0.382 nan 8.290 nan 0.000 0.551 476 E N 1.136 121.336 120.200 0.000 0.000 2.209 476 E HA 0.029 4.380 4.350 0.001 0.000 0.196 476 E C 1.941 178.517 176.600 -0.040 0.000 0.993 476 E CA 1.310 57.702 56.400 -0.015 0.000 0.819 476 E CB -0.175 29.520 29.700 -0.008 0.000 0.745 476 E HN 0.486 nan 8.360 nan 0.000 0.477 477 D N -0.236 120.126 120.400 -0.063 0.000 2.263 477 D HA -0.001 4.639 4.640 0.001 0.000 0.208 477 D C 1.052 177.286 176.300 -0.110 0.000 0.971 477 D CA 1.251 55.157 54.000 -0.156 0.000 0.867 477 D CB -0.201 40.433 40.800 -0.277 0.000 0.929 477 D HN 0.240 nan 8.370 nan 0.000 0.492 478 G N 0.272 109.056 108.800 -0.026 0.000 2.725 478 G HA2 -0.210 3.751 3.960 0.001 0.000 0.220 478 G HA3 -0.210 3.751 3.960 0.001 0.000 0.220 478 G C -1.877 173.068 174.900 0.075 0.000 1.357 478 G CA -0.126 44.986 45.100 0.020 0.000 0.866 478 G HN -0.019 nan 8.290 nan 0.000 0.548 479 P HA -0.107 nan 4.420 nan 0.000 0.220 479 P C 1.935 179.311 177.300 0.126 0.000 1.148 479 P CA 2.828 66.000 63.100 0.121 0.000 0.803 479 P CB -0.392 31.371 31.700 0.105 0.000 0.782 480 T N -4.569 110.082 114.554 0.161 0.000 3.035 480 T HA -0.108 4.243 4.350 0.001 0.000 0.268 480 T C 1.175 176.050 174.700 0.291 0.000 1.109 480 T CA 1.127 63.367 62.100 0.233 0.000 1.119 480 T CB -0.967 68.092 68.868 0.318 0.000 0.900 480 T HN 0.170 nan 8.240 nan 0.000 0.503 481 H N 0.216 119.319 119.070 0.054 0.000 2.893 481 H HA 0.450 5.007 4.556 0.001 0.000 0.270 481 H C 0.065 175.322 175.328 -0.118 0.000 1.095 481 H CA -0.518 55.508 56.048 -0.038 0.000 1.186 481 H CB 0.314 30.104 29.762 0.047 0.000 1.562 481 H HN 0.457 nan 8.280 nan 0.000 0.536 482 Q N 1.993 121.819 119.800 0.043 0.000 2.398 482 Q HA 0.271 4.611 4.340 0.001 0.000 0.251 482 Q C -2.535 173.441 176.000 -0.040 0.000 0.999 482 Q CA -2.224 53.569 55.803 -0.017 0.000 0.874 482 Q CB 1.686 30.425 28.738 0.000 0.000 1.215 482 Q HN 0.104 nan 8.270 nan 0.000 0.470 483 P HA -0.073 nan 4.420 nan 0.000 0.265 483 P C -0.208 177.036 177.300 -0.093 0.000 1.187 483 P CA 0.350 63.405 63.100 -0.075 0.000 0.766 483 P CB 0.807 32.463 31.700 -0.074 0.000 0.820 484 I N 1.730 122.244 120.570 -0.094 0.000 4.193 484 I HA 0.002 4.173 4.170 0.001 0.000 0.287 484 I C 1.723 177.756 176.117 -0.140 0.000 1.175 484 I CA 0.780 61.983 61.300 -0.162 0.000 1.320 484 I CB -0.529 37.318 38.000 -0.255 0.000 1.523 484 I HN 0.371 nan 8.210 nan 0.000 0.450 485 E N 0.803 120.932 120.200 -0.118 0.000 2.474 485 E HA 0.057 4.407 4.350 0.001 0.000 0.195 485 E C 1.253 177.807 176.600 -0.077 0.000 1.039 485 E CA 0.605 56.941 56.400 -0.107 0.000 0.881 485 E CB -0.302 29.328 29.700 -0.116 0.000 0.970 485 E HN 0.249 nan 8.360 nan 0.000 0.486 486 T N 2.118 116.642 114.554 -0.050 0.000 2.777 486 T HA 0.009 4.360 4.350 0.001 0.000 0.266 486 T C 2.048 176.745 174.700 -0.005 0.000 1.040 486 T CA 1.133 63.230 62.100 -0.007 0.000 1.141 486 T CB -0.147 68.748 68.868 0.044 0.000 0.868 486 T HN 0.115 nan 8.240 nan 0.000 0.444 487 L N 0.853 122.056 121.223 -0.033 0.000 2.109 487 L HA 0.045 4.385 4.340 0.001 0.000 0.207 487 L C 3.143 179.916 176.870 -0.161 0.000 1.086 487 L CA 0.919 55.713 54.840 -0.078 0.000 0.760 487 L CB -0.828 41.158 42.059 -0.122 0.000 0.910 487 L HN 0.242 nan 8.230 nan 0.000 0.437 488 A N -0.410 122.321 122.820 -0.148 0.000 1.908 488 A HA -0.299 4.022 4.320 0.001 0.000 0.218 488 A C 2.224 179.735 177.584 -0.121 0.000 1.181 488 A CA 1.954 53.901 52.037 -0.150 0.000 0.627 488 A CB -1.033 17.907 19.000 -0.099 0.000 0.818 488 A HN 0.571 nan 8.150 nan 0.000 0.445 489 H N -2.047 116.860 119.070 -0.273 0.000 2.267 489 H HA -0.174 4.383 4.556 0.001 0.000 0.297 489 H C 1.747 176.823 175.328 -0.420 0.000 1.080 489 H CA 1.980 57.785 56.048 -0.405 0.000 1.278 489 H CB -0.193 29.192 29.762 -0.628 0.000 1.365 489 H HN 0.462 nan 8.280 nan 0.000 0.489 490 F N 0.787 120.542 119.950 -0.325 0.000 2.456 490 F HA 0.068 4.595 4.527 0.001 0.000 0.298 490 F C 2.604 178.268 175.800 -0.226 0.000 1.104 490 F CA 0.564 58.335 58.000 -0.381 0.000 1.435 490 F CB -0.168 38.598 39.000 -0.390 0.000 1.078 490 F HN 0.085 nan 8.300 nan 0.000 0.546 491 R N -0.739 119.704 120.500 -0.094 0.000 2.235 491 R HA -0.026 4.314 4.340 0.001 0.000 0.213 491 R C 1.849 178.129 176.300 -0.033 0.000 1.059 491 R CA 1.077 57.113 56.100 -0.107 0.000 0.997 491 R CB -0.390 29.709 30.300 -0.335 0.000 0.884 491 R HN 0.087 nan 8.270 nan 0.000 0.462 492 S N 0.516 116.189 115.700 -0.045 0.000 2.558 492 S HA 0.048 4.519 4.470 0.001 0.000 0.217 492 S C 0.285 174.895 174.600 0.016 0.000 0.975 492 S CA -0.138 58.056 58.200 -0.010 0.000 0.912 492 S CB 0.119 63.312 63.200 -0.012 0.000 0.776 492 S HN 0.081 nan 8.310 nan 0.000 0.526 493 L N 3.568 124.800 121.223 0.014 0.000 2.290 493 L HA 0.448 4.789 4.340 0.001 0.000 0.284 493 L C -2.721 174.187 176.870 0.064 0.000 1.078 493 L CA -2.266 52.597 54.840 0.038 0.000 0.815 493 L CB 0.203 42.284 42.059 0.037 0.000 1.162 493 L HN -0.149 nan 8.230 nan 0.000 0.435 494 P HA 0.171 nan 4.420 nan 0.000 0.272 494 P C -0.618 176.741 177.300 0.099 0.000 1.223 494 P CA 0.047 63.213 63.100 0.109 0.000 0.784 494 P CB 0.335 32.090 31.700 0.093 0.000 0.923 495 N N 0.273 119.074 118.700 0.169 0.000 2.727 495 N HA -0.200 4.540 4.740 0.001 0.000 0.251 495 N C -1.197 174.181 175.510 -0.219 0.000 1.040 495 N CA 0.662 53.740 53.050 0.048 0.000 0.712 495 N CB -1.487 37.055 38.487 0.092 0.000 0.912 495 N HN 0.493 nan 8.380 nan 0.000 0.545 496 I N 0.361 120.707 120.570 -0.373 0.000 2.644 496 I HA 0.218 4.389 4.170 0.001 0.000 0.291 496 I C -0.688 175.120 176.117 -0.515 0.000 1.180 496 I CA -0.669 60.394 61.300 -0.395 0.000 1.040 496 I CB 1.349 39.248 38.000 -0.169 0.000 1.255 496 I HN 0.107 nan 8.210 nan 0.000 0.422 497 Q N 5.709 125.203 119.800 -0.509 0.000 2.296 497 Q HA 0.402 4.743 4.340 0.001 0.000 0.262 497 Q C -1.065 174.864 176.000 -0.118 0.000 0.981 497 Q CA -0.337 55.305 55.803 -0.267 0.000 0.905 497 Q CB 1.797 30.514 28.738 -0.035 0.000 1.186 497 Q HN 0.444 nan 8.270 nan 0.000 0.399 498 V N 3.629 123.455 119.914 -0.146 0.000 2.266 498 V HA 0.210 4.331 4.120 0.001 0.000 0.271 498 V C -0.940 175.095 176.094 -0.097 0.000 1.032 498 V CA -0.854 61.391 62.300 -0.092 0.000 0.806 498 V CB -0.045 31.704 31.823 -0.124 0.000 1.052 498 V HN 0.713 nan 8.190 nan 0.000 0.449 499 W N 3.811 125.114 121.300 0.005 0.000 2.322 499 W HA 0.545 5.206 4.660 0.001 0.000 0.307 499 W C 0.876 177.412 176.519 0.027 0.000 1.220 499 W CA -0.414 56.951 57.345 0.033 0.000 1.210 499 W CB 0.835 30.297 29.460 0.004 0.000 1.223 499 W HN 0.334 nan 8.180 nan 0.000 0.511 500 R N 5.670 126.337 120.500 0.278 0.000 2.651 500 R HA 0.244 4.584 4.340 0.001 0.000 0.282 500 R C -2.531 173.901 176.300 0.219 0.000 1.565 500 R CA -1.720 54.496 56.100 0.194 0.000 1.661 500 R CB 0.577 30.951 30.300 0.122 0.000 1.189 500 R HN 0.142 nan 8.270 nan 0.000 0.621 501 P HA 0.025 nan 4.420 nan 0.000 0.268 501 P C 0.010 177.395 177.300 0.142 0.000 1.205 501 P CA 0.245 63.473 63.100 0.213 0.000 0.771 501 P CB 1.707 33.509 31.700 0.170 0.000 0.858 502 A N 2.872 125.776 122.820 0.139 0.000 2.081 502 A HA 0.075 4.396 4.320 0.001 0.000 0.214 502 A C 0.723 178.336 177.584 0.050 0.000 1.158 502 A CA 1.152 53.242 52.037 0.088 0.000 0.724 502 A CB -0.334 18.720 19.000 0.091 0.000 0.826 502 A HN 0.704 nan 8.150 nan 0.000 0.463 503 D N -4.859 115.571 120.400 0.051 0.000 2.851 503 D HA 0.310 4.951 4.640 0.001 0.000 0.339 503 D C 1.122 177.399 176.300 -0.038 0.000 1.347 503 D CA 0.188 54.182 54.000 -0.010 0.000 0.888 503 D CB 0.136 40.940 40.800 0.007 0.000 1.431 503 D HN -0.008 nan 8.370 nan 0.000 0.509 504 G N 0.057 108.750 108.800 -0.180 0.000 2.553 504 G HA2 -0.334 3.627 3.960 0.001 0.000 0.218 504 G HA3 -0.334 3.627 3.960 0.001 0.000 0.218 504 G C 1.102 176.074 174.900 0.120 0.000 1.195 504 G CA 1.266 46.198 45.100 -0.280 0.000 0.779 504 G HN 0.540 nan 8.290 nan 0.000 0.577 505 N N 0.805 119.610 118.700 0.176 0.000 2.188 505 N HA -0.052 4.689 4.740 0.001 0.000 0.184 505 N C 2.120 177.692 175.510 0.104 0.000 1.018 505 N CA 1.052 54.198 53.050 0.159 0.000 0.858 505 N CB -0.301 38.264 38.487 0.130 0.000 0.989 505 N HN 0.544 nan 8.380 nan 0.000 0.426 506 E N 0.387 120.658 120.200 0.118 0.000 2.150 506 E HA -0.053 4.297 4.350 0.001 0.000 0.193 506 E C 1.889 178.529 176.600 0.065 0.000 0.985 506 E CA 0.446 56.925 56.400 0.131 0.000 0.814 506 E CB 0.137 29.961 29.700 0.207 0.000 0.752 506 E HN 0.085 nan 8.360 nan 0.000 0.466 507 V N 1.044 121.003 119.914 0.075 0.000 2.295 507 V HA -0.257 3.864 4.120 0.001 0.000 0.246 507 V C 2.309 178.473 176.094 0.116 0.000 1.049 507 V CA 1.828 64.182 62.300 0.089 0.000 1.024 507 V CB -0.424 31.473 31.823 0.124 0.000 0.648 507 V HN 0.198 nan 8.190 nan 0.000 0.447 508 S N 0.075 115.845 115.700 0.116 0.000 2.370 508 S HA -0.203 4.268 4.470 0.001 0.000 0.226 508 S C 2.177 176.772 174.600 -0.008 0.000 1.033 508 S CA 1.502 59.756 58.200 0.091 0.000 1.011 508 S CB -0.486 62.753 63.200 0.066 0.000 0.852 508 S HN 0.664 nan 8.310 nan 0.000 0.457 509 A N 1.295 124.066 122.820 -0.082 0.000 1.930 509 A HA 0.175 4.496 4.320 0.001 0.000 0.217 509 A C 2.318 179.572 177.584 -0.550 0.000 1.175 509 A CA 1.581 53.506 52.037 -0.187 0.000 0.627 509 A CB -0.940 18.002 19.000 -0.098 0.000 0.815 509 A HN 0.507 nan 8.150 nan 0.000 0.443 510 A N -1.239 121.110 122.820 -0.785 0.000 1.877 510 A HA -0.079 4.242 4.320 0.001 0.000 0.216 510 A C 2.082 179.142 177.584 -0.874 0.000 1.186 510 A CA 1.556 52.720 52.037 -1.456 0.000 0.620 510 A CB -0.826 17.618 19.000 -0.928 0.000 0.822 510 A HN 0.556 nan 8.150 nan 0.000 0.443 511 Y N 0.810 120.917 120.300 -0.323 0.000 2.242 511 Y HA -0.226 4.325 4.550 0.001 0.000 0.291 511 Y C 2.515 178.435 175.900 0.035 0.000 1.137 511 Y CA 1.959 59.989 58.100 -0.117 0.000 1.181 511 Y CB -0.182 38.268 38.460 -0.018 0.000 0.989 511 Y HN 0.557 nan 8.280 nan 0.000 0.527 512 K N -0.077 120.428 120.400 0.175 0.000 2.025 512 K HA -0.153 4.168 4.320 0.001 0.000 0.207 512 K C 1.557 178.274 176.600 0.195 0.000 1.049 512 K CA 1.996 58.447 56.287 0.273 0.000 0.933 512 K CB -0.463 32.063 32.500 0.044 0.000 0.714 512 K HN 0.093 nan 8.250 nan 0.000 0.438 513 N N 0.694 119.421 118.700 0.045 0.000 2.166 513 N HA -0.086 4.655 4.740 0.001 0.000 0.186 513 N C 1.642 177.247 175.510 0.159 0.000 1.019 513 N CA 1.646 54.789 53.050 0.156 0.000 0.856 513 N CB -0.183 38.495 38.487 0.318 0.000 0.993 513 N HN 0.237 nan 8.380 nan 0.000 0.426 514 S N 0.309 116.030 115.700 0.035 0.000 2.368 514 S HA 0.040 4.511 4.470 0.001 0.000 0.224 514 S C 1.880 176.519 174.600 0.064 0.000 1.029 514 S CA 0.661 58.888 58.200 0.045 0.000 0.988 514 S CB -0.233 62.908 63.200 -0.098 0.000 0.838 514 S HN 0.230 nan 8.310 nan 0.000 0.462 515 L N 1.068 122.339 121.223 0.080 0.000 2.217 515 L HA -0.005 4.335 4.340 0.001 0.000 0.211 515 L C 2.259 179.139 176.870 0.016 0.000 1.107 515 L CA 0.984 55.830 54.840 0.011 0.000 0.783 515 L CB -0.343 41.653 42.059 -0.105 0.000 0.919 515 L HN 0.310 nan 8.230 nan 0.000 0.442 516 E N -0.923 119.360 120.200 0.138 0.000 2.371 516 E HA -0.042 4.309 4.350 0.001 0.000 0.194 516 E C 0.909 177.570 176.600 0.103 0.000 1.012 516 E CA -0.115 56.373 56.400 0.146 0.000 0.860 516 E CB 0.269 30.106 29.700 0.228 0.000 0.811 516 E HN 0.150 nan 8.360 nan 0.000 0.502 517 S N 0.751 116.514 115.700 0.105 0.000 2.525 517 S HA -0.008 4.462 4.470 0.001 0.000 0.285 517 S C 0.790 175.403 174.600 0.020 0.000 1.283 517 S CA 0.171 58.428 58.200 0.094 0.000 1.072 517 S CB 0.486 63.753 63.200 0.112 0.000 0.867 517 S HN 0.105 nan 8.310 nan 0.000 0.492 518 K N 2.727 123.098 120.400 -0.048 0.000 2.354 518 K HA 0.151 4.471 4.320 0.001 0.000 0.194 518 K C 0.436 176.796 176.600 -0.401 0.000 1.045 518 K CA 0.195 56.329 56.287 -0.256 0.000 1.026 518 K CB 0.219 32.469 32.500 -0.417 0.000 0.866 518 K HN 0.686 nan 8.250 nan 0.000 0.530 519 H N -0.825 118.312 119.070 0.112 0.000 3.230 519 H HA 0.194 4.751 4.556 0.001 0.000 0.259 519 H C -0.476 174.893 175.328 0.068 0.000 1.195 519 H CA 0.068 56.179 56.048 0.104 0.000 1.112 519 H CB 1.374 31.201 29.762 0.110 0.000 1.638 519 H HN -0.132 nan 8.280 nan 0.000 0.624 520 T N 4.747 119.368 114.554 0.113 0.000 2.890 520 T HA 0.251 4.601 4.350 0.001 0.000 0.295 520 T C -2.638 172.048 174.700 -0.023 0.000 0.993 520 T CA -1.221 60.880 62.100 0.002 0.000 0.979 520 T CB 3.078 71.894 68.868 -0.088 0.000 0.967 520 T HN 0.001 nan 8.240 nan 0.000 0.441 521 P HA 0.279 nan 4.420 nan 0.000 0.271 521 P C -0.529 176.760 177.300 -0.020 0.000 1.244 521 P CA -0.295 62.811 63.100 0.011 0.000 0.793 521 P CB 0.808 32.528 31.700 0.034 0.000 0.984 522 S N 0.266 116.000 115.700 0.058 0.000 2.548 522 S HA 0.592 5.063 4.470 0.001 0.000 0.276 522 S C -1.002 173.665 174.600 0.111 0.000 1.129 522 S CA -0.782 57.467 58.200 0.082 0.000 0.931 522 S CB 0.346 63.629 63.200 0.138 0.000 1.068 522 S HN 0.250 nan 8.310 nan 0.000 0.480 523 I N 4.585 125.187 120.570 0.053 0.000 2.378 523 I HA 0.476 4.647 4.170 0.001 0.000 0.291 523 I C -0.669 175.515 176.117 0.111 0.000 0.992 523 I CA -0.579 60.744 61.300 0.039 0.000 1.154 523 I CB 1.593 39.483 38.000 -0.182 0.000 1.315 523 I HN 0.566 nan 8.210 nan 0.000 0.448 524 I N 6.321 126.952 120.570 0.103 0.000 2.330 524 I HA 0.411 4.581 4.170 0.001 0.000 0.286 524 I C 0.357 176.537 176.117 0.105 0.000 1.025 524 I CA -0.448 60.908 61.300 0.093 0.000 1.197 524 I CB 1.386 39.336 38.000 -0.083 0.000 1.358 524 I HN 0.576 nan 8.210 nan 0.000 0.467 525 A N 8.429 131.316 122.820 0.112 0.000 2.309 525 A HA 0.732 5.053 4.320 0.001 0.000 0.290 525 A C -0.471 177.171 177.584 0.097 0.000 1.206 525 A CA -0.182 51.912 52.037 0.095 0.000 0.850 525 A CB 0.202 19.243 19.000 0.068 0.000 1.118 525 A HN 0.714 nan 8.150 nan 0.000 0.523 526 L N 2.512 123.794 121.223 0.098 0.000 2.362 526 L HA 0.499 4.839 4.340 0.001 0.000 0.271 526 L C 0.723 177.618 176.870 0.042 0.000 1.002 526 L CA -0.699 54.191 54.840 0.085 0.000 0.818 526 L CB 2.256 44.385 42.059 0.116 0.000 1.298 526 L HN 0.791 nan 8.230 nan 0.000 0.420 527 S N 1.755 117.463 115.700 0.013 0.000 2.565 527 S HA 0.229 4.700 4.470 0.001 0.000 0.276 527 S C 0.864 175.400 174.600 -0.107 0.000 1.326 527 S CA -0.507 57.672 58.200 -0.036 0.000 1.045 527 S CB 1.500 64.687 63.200 -0.021 0.000 0.918 527 S HN 0.807 nan 8.310 nan 0.000 0.505 528 R N 1.575 121.942 120.500 -0.221 0.000 2.075 528 R HA -0.034 4.307 4.340 0.001 0.000 0.226 528 R C 0.796 177.016 176.300 -0.134 0.000 1.114 528 R CA 0.707 56.618 56.100 -0.314 0.000 0.972 528 R CB -0.210 29.761 30.300 -0.548 0.000 0.869 528 R HN 0.910 nan 8.270 nan 0.000 0.437 529 Q N 1.776 121.527 119.800 -0.081 0.000 2.306 529 Q HA 0.093 4.434 4.340 0.001 0.000 0.241 529 Q C -1.047 174.926 176.000 -0.045 0.000 0.948 529 Q CA -0.488 55.288 55.803 -0.046 0.000 0.886 529 Q CB 0.404 29.127 28.738 -0.026 0.000 1.227 529 Q HN -0.002 nan 8.270 nan 0.000 0.457 530 N N 1.590 120.267 118.700 -0.038 0.000 2.412 530 N HA 0.167 4.907 4.740 0.001 0.000 0.254 530 N C -0.594 174.886 175.510 -0.051 0.000 1.232 530 N CA 0.342 53.368 53.050 -0.039 0.000 0.880 530 N CB 0.226 38.694 38.487 -0.031 0.000 1.076 530 N HN 0.477 nan 8.380 nan 0.000 0.458 531 L N 3.254 124.447 121.223 -0.051 0.000 2.381 531 L HA 0.526 4.867 4.340 0.001 0.000 0.268 531 L C -2.071 174.771 176.870 -0.047 0.000 0.997 531 L CA -2.000 52.809 54.840 -0.052 0.000 0.818 531 L CB 2.581 44.613 42.059 -0.044 0.000 1.310 531 L HN 0.324 nan 8.230 nan 0.000 0.416 532 P HA 0.012 nan 4.420 nan 0.000 0.270 532 P C -1.382 175.904 177.300 -0.024 0.000 1.223 532 P CA -0.432 62.653 63.100 -0.025 0.000 0.785 532 P CB 0.675 32.366 31.700 -0.016 0.000 0.923 533 Q N 1.332 121.124 119.800 -0.014 0.000 2.279 533 Q HA 0.341 4.682 4.340 0.001 0.000 0.256 533 Q C -0.008 176.010 176.000 0.031 0.000 0.937 533 Q CA -0.350 55.454 55.803 0.002 0.000 0.933 533 Q CB 0.429 29.184 28.738 0.028 0.000 1.189 533 Q HN 0.448 nan 8.270 nan 0.000 0.417 534 L N 2.019 123.269 121.223 0.045 0.000 2.331 534 L HA 0.133 4.473 4.340 0.001 0.000 0.278 534 L C 0.746 177.659 176.870 0.073 0.000 1.106 534 L CA -0.582 54.293 54.840 0.057 0.000 0.824 534 L CB 0.351 42.452 42.059 0.070 0.000 1.142 534 L HN 0.481 nan 8.230 nan 0.000 0.443 535 E N 2.403 122.639 120.200 0.060 0.000 2.328 535 E HA 0.308 4.659 4.350 0.001 0.000 0.265 535 E C 0.855 177.503 176.600 0.080 0.000 1.057 535 E CA 0.943 57.381 56.400 0.063 0.000 0.916 535 E CB 0.431 30.159 29.700 0.046 0.000 0.993 535 E HN 0.694 nan 8.360 nan 0.000 0.446 536 G N 3.138 111.997 108.800 0.097 0.000 2.218 536 G HA2 -0.255 3.705 3.960 0.001 0.000 0.216 536 G HA3 -0.255 3.705 3.960 0.001 0.000 0.216 536 G C 0.178 175.205 174.900 0.212 0.000 0.994 536 G CA 0.123 45.302 45.100 0.132 0.000 0.637 536 G HN 1.024 nan 8.290 nan 0.000 0.505 537 S N 0.309 116.133 115.700 0.206 0.000 2.565 537 S HA 0.757 5.228 4.470 0.001 0.000 0.276 537 S C 0.169 174.835 174.600 0.111 0.000 1.326 537 S CA 0.826 59.179 58.200 0.256 0.000 1.045 537 S CB 1.905 65.248 63.200 0.239 0.000 0.918 537 S HN 1.989 nan 8.310 nan 0.000 0.505 538 S N 2.020 117.717 115.700 -0.005 0.000 2.579 538 S HA 0.503 4.974 4.470 0.001 0.000 0.272 538 S C 0.662 175.215 174.600 -0.079 0.000 1.141 538 S CA -1.086 57.094 58.200 -0.033 0.000 0.843 538 S CB 0.404 63.578 63.200 -0.043 0.000 1.122 538 S HN 0.614 nan 8.310 nan 0.000 0.468 539 I N 1.053 121.594 120.570 -0.048 0.000 2.208 539 I HA -0.207 3.964 4.170 0.001 0.000 0.245 539 I C 2.263 178.332 176.117 -0.080 0.000 1.097 539 I CA 1.661 62.928 61.300 -0.056 0.000 1.363 539 I CB -0.516 37.449 38.000 -0.059 0.000 1.051 539 I HN 0.703 nan 8.210 nan 0.000 0.413 540 E N 0.764 120.911 120.200 -0.088 0.000 2.047 540 E HA -0.138 4.213 4.350 0.001 0.000 0.191 540 E C 2.311 178.838 176.600 -0.121 0.000 0.987 540 E CA 1.440 57.788 56.400 -0.085 0.000 0.799 540 E CB -0.338 29.320 29.700 -0.069 0.000 0.752 540 E HN 0.276 nan 8.360 nan 0.000 0.449 541 S N 0.375 115.944 115.700 -0.217 0.000 2.387 541 S HA -0.044 4.427 4.470 0.001 0.000 0.226 541 S C 2.050 176.334 174.600 -0.527 0.000 1.026 541 S CA 0.853 58.826 58.200 -0.378 0.000 0.972 541 S CB -0.254 62.567 63.200 -0.632 0.000 0.814 541 S HN 0.394 nan 8.310 nan 0.000 0.477 542 A N 1.237 123.750 122.820 -0.513 0.000 2.015 542 A HA 0.019 4.340 4.320 0.001 0.000 0.219 542 A C 2.140 179.852 177.584 0.214 0.000 1.163 542 A CA 1.247 53.215 52.037 -0.115 0.000 0.646 542 A CB -0.634 18.401 19.000 0.058 0.000 0.806 542 A HN 0.403 nan 8.150 nan 0.000 0.448 543 S N -0.200 115.571 115.700 0.118 0.000 2.500 543 S HA -0.088 4.383 4.470 0.001 0.000 0.239 543 S C 1.492 176.233 174.600 0.235 0.000 0.989 543 S CA 1.184 59.518 58.200 0.223 0.000 0.951 543 S CB -0.164 63.090 63.200 0.091 0.000 0.759 543 S HN 0.639 nan 8.310 nan 0.000 0.523 544 K N 0.136 120.630 120.400 0.156 0.000 2.444 544 K HA 0.191 4.512 4.320 0.001 0.000 0.193 544 K C 1.608 178.372 176.600 0.273 0.000 1.024 544 K CA 0.467 56.828 56.287 0.122 0.000 1.077 544 K CB 0.130 32.613 32.500 -0.029 0.000 0.833 544 K HN 0.383 nan 8.250 nan 0.000 0.517 545 G N 0.921 109.910 108.800 0.315 0.000 2.363 545 G HA2 -0.259 3.702 3.960 0.001 0.000 0.238 545 G HA3 -0.259 3.702 3.960 0.001 0.000 0.238 545 G C 0.327 175.372 174.900 0.242 0.000 1.062 545 G CA -0.050 45.175 45.100 0.208 0.000 0.629 545 G HN 0.559 nan 8.290 nan 0.000 0.514 546 G N -0.766 108.275 108.800 0.402 0.000 2.746 546 G HA2 0.867 4.827 3.960 0.001 0.000 0.297 546 G HA3 0.867 4.827 3.960 0.001 0.000 0.297 546 G C -1.018 174.141 174.900 0.433 0.000 1.426 546 G CA 0.197 45.331 45.100 0.057 0.000 0.989 546 G HN 1.713 nan 8.290 nan 0.000 0.520 547 Y N -0.989 119.341 120.300 0.049 0.000 2.656 547 Y HA 0.673 5.224 4.550 0.001 0.000 0.334 547 Y C -1.031 174.885 175.900 0.028 0.000 1.179 547 Y CA -1.722 56.453 58.100 0.125 0.000 1.050 547 Y CB 0.945 39.521 38.460 0.195 0.000 1.308 547 Y HN 0.463 nan 8.280 nan 0.000 0.456 548 V N 3.935 123.901 119.914 0.086 0.000 2.415 548 V HA 0.036 4.157 4.120 0.001 0.000 0.267 548 V C 0.865 176.946 176.094 -0.022 0.000 1.042 548 V CA 0.061 62.343 62.300 -0.031 0.000 1.000 548 V CB 0.415 32.255 31.823 0.027 0.000 1.015 548 V HN 0.911 nan 8.190 nan 0.000 0.478 549 L N 4.608 125.713 121.223 -0.197 0.000 2.068 549 L HA 0.107 4.448 4.340 0.001 0.000 0.204 549 L C 1.118 177.992 176.870 0.005 0.000 1.076 549 L CA 1.729 56.510 54.840 -0.098 0.000 0.753 549 L CB 0.077 42.027 42.059 -0.183 0.000 0.910 549 L HN 0.660 nan 8.230 nan 0.000 0.439 550 Q N 0.558 120.343 119.800 -0.026 0.000 2.320 550 Q HA 0.240 4.581 4.340 0.001 0.000 0.268 550 Q C -1.358 174.639 176.000 -0.004 0.000 1.023 550 Q CA -0.521 55.281 55.803 -0.002 0.000 0.744 550 Q CB 1.903 30.637 28.738 -0.007 0.000 1.246 550 Q HN 0.127 nan 8.270 nan 0.000 0.462 551 D N 1.685 122.091 120.400 0.011 0.000 2.229 551 D HA 0.547 5.188 4.640 0.001 0.000 0.249 551 D C -0.762 175.542 176.300 0.007 0.000 1.027 551 D CA -0.418 53.587 54.000 0.008 0.000 0.923 551 D CB 1.845 42.657 40.800 0.019 0.000 1.174 551 D HN 0.305 nan 8.370 nan 0.000 0.443 552 V N -1.183 118.733 119.914 0.003 0.000 3.049 552 V HA 0.872 4.993 4.120 0.001 0.000 0.309 552 V C -0.419 175.677 176.094 0.003 0.000 1.148 552 V CA -1.265 61.037 62.300 0.004 0.000 0.990 552 V CB 1.199 33.022 31.823 0.001 0.000 1.039 552 V HN 0.616 nan 8.190 nan 0.000 0.430 553 A N 2.110 124.932 122.820 0.004 0.000 2.327 553 A HA 0.679 5.000 4.320 0.001 0.000 0.283 553 A C 0.545 178.130 177.584 0.001 0.000 1.127 553 A CA -0.248 51.791 52.037 0.004 0.000 0.810 553 A CB -0.205 18.798 19.000 0.005 0.000 1.066 553 A HN 1.538 nan 8.150 nan 0.000 0.492 554 N N 0.015 118.715 118.700 0.000 0.000 2.671 554 N HA -0.101 4.640 4.740 0.001 0.000 0.261 554 N C -2.580 172.929 175.510 -0.002 0.000 1.053 554 N CA 0.974 54.023 53.050 -0.001 0.000 0.732 554 N CB -1.605 36.882 38.487 -0.001 0.000 0.887 554 N HN 0.600 nan 8.380 nan 0.000 0.546 555 P HA 0.137 nan 4.420 nan 0.000 0.271 555 P C 0.465 177.764 177.300 -0.001 0.000 1.216 555 P CA -0.023 63.076 63.100 -0.002 0.000 0.771 555 P CB 1.018 32.715 31.700 -0.004 0.000 0.864 556 D N 1.677 122.078 120.400 0.001 0.000 2.194 556 D HA 0.043 4.684 4.640 0.001 0.000 0.204 556 D C 0.838 177.144 176.300 0.010 0.000 0.964 556 D CA 1.256 55.259 54.000 0.005 0.000 0.846 556 D CB 0.502 41.306 40.800 0.006 0.000 0.962 556 D HN 0.364 nan 8.370 nan 0.000 0.490 557 I N 0.019 120.594 120.570 0.008 0.000 2.841 557 I HA 0.244 4.415 4.170 0.001 0.000 0.298 557 I C -1.582 174.539 176.117 0.006 0.000 1.304 557 I CA -0.752 60.557 61.300 0.014 0.000 1.019 557 I CB 2.595 40.607 38.000 0.021 0.000 1.282 557 I HN -0.329 nan 8.210 nan 0.000 0.432 558 I N 7.219 127.795 120.570 0.010 0.000 2.336 558 I HA 0.337 4.508 4.170 0.001 0.000 0.292 558 I C -0.775 175.335 176.117 -0.011 0.000 0.991 558 I CA -0.649 60.647 61.300 -0.007 0.000 1.227 558 I CB 1.384 39.377 38.000 -0.011 0.000 1.366 558 I HN 0.330 nan 8.210 nan 0.000 0.466 559 L N 7.279 128.485 121.223 -0.028 0.000 2.255 559 L HA 0.415 4.755 4.340 0.001 0.000 0.289 559 L C -0.505 176.324 176.870 -0.067 0.000 1.046 559 L CA -0.749 54.068 54.840 -0.038 0.000 0.816 559 L CB 1.286 43.328 42.059 -0.028 0.000 1.197 559 L HN 0.310 nan 8.230 nan 0.000 0.427 560 V N 2.963 122.824 119.914 -0.088 0.000 2.394 560 V HA 0.800 4.921 4.120 0.001 0.000 0.282 560 V C 0.336 176.343 176.094 -0.145 0.000 1.031 560 V CA -0.326 61.910 62.300 -0.106 0.000 0.881 560 V CB 1.088 32.879 31.823 -0.055 0.000 0.982 560 V HN 0.892 nan 8.190 nan 0.000 0.451 561 A N 3.806 126.584 122.820 -0.069 0.000 2.583 561 A HA 1.029 5.350 4.320 0.001 0.000 0.289 561 A C -0.268 177.368 177.584 0.088 0.000 1.151 561 A CA -0.183 51.836 52.037 -0.030 0.000 0.695 561 A CB 2.346 21.329 19.000 -0.028 0.000 1.290 561 A HN 0.984 nan 8.150 nan 0.000 0.419 562 T N -2.617 112.015 114.554 0.130 0.000 2.883 562 T HA 0.740 5.091 4.350 0.001 0.000 0.301 562 T C 0.785 175.554 174.700 0.114 0.000 1.158 562 T CA 0.566 62.768 62.100 0.170 0.000 1.007 562 T CB 0.940 69.977 68.868 0.281 0.000 1.186 562 T HN 2.698 nan 8.240 nan 0.000 0.499 563 G N 2.086 110.955 108.800 0.115 0.000 2.614 563 G HA2 -0.354 3.606 3.960 0.001 0.000 0.303 563 G HA3 -0.354 3.606 3.960 0.001 0.000 0.303 563 G C 1.284 176.213 174.900 0.049 0.000 1.270 563 G CA 1.765 46.916 45.100 0.086 0.000 0.988 563 G HN 2.120 nan 8.290 nan 0.000 0.551 564 S N -0.169 115.548 115.700 0.027 0.000 2.440 564 S HA -0.053 4.418 4.470 0.001 0.000 0.238 564 S C 1.678 176.265 174.600 -0.021 0.000 1.010 564 S CA 2.209 60.401 58.200 -0.014 0.000 0.972 564 S CB -0.093 63.089 63.200 -0.030 0.000 0.774 564 S HN 0.642 nan 8.310 nan 0.000 0.501 565 E N 0.684 120.891 120.200 0.013 0.000 2.489 565 E HA 0.208 4.559 4.350 0.001 0.000 0.193 565 E C 1.639 178.255 176.600 0.027 0.000 1.057 565 E CA 0.028 56.447 56.400 0.031 0.000 0.866 565 E CB -0.125 29.602 29.700 0.046 0.000 0.916 565 E HN 0.405 nan 8.360 nan 0.000 0.500 566 V N 0.443 120.367 119.914 0.016 0.000 2.346 566 V HA -0.228 3.893 4.120 0.001 0.000 0.244 566 V C 2.248 178.342 176.094 -0.001 0.000 1.037 566 V CA 1.888 64.190 62.300 0.003 0.000 1.029 566 V CB -0.583 31.243 31.823 0.005 0.000 0.663 566 V HN 0.410 nan 8.190 nan 0.000 0.454 567 S N 0.598 116.296 115.700 -0.003 0.000 2.382 567 S HA -0.215 4.256 4.470 0.001 0.000 0.228 567 S C 1.972 176.567 174.600 -0.008 0.000 1.027 567 S CA 1.729 59.924 58.200 -0.009 0.000 0.991 567 S CB -0.690 62.497 63.200 -0.022 0.000 0.823 567 S HN 0.394 nan 8.310 nan 0.000 0.469 568 L N 1.985 123.205 121.223 -0.004 0.000 2.046 568 L HA -0.003 4.337 4.340 0.001 0.000 0.208 568 L C 2.449 179.340 176.870 0.035 0.000 1.077 568 L CA 1.893 56.745 54.840 0.019 0.000 0.747 568 L CB -0.993 41.099 42.059 0.055 0.000 0.896 568 L HN 0.292 nan 8.230 nan 0.000 0.432 569 S N -1.293 114.426 115.700 0.031 0.000 2.383 569 S HA -0.137 4.334 4.470 0.001 0.000 0.227 569 S C 1.955 176.558 174.600 0.005 0.000 1.026 569 S CA 1.271 59.484 58.200 0.021 0.000 0.981 569 S CB -0.332 62.871 63.200 0.005 0.000 0.818 569 S HN 0.337 nan 8.310 nan 0.000 0.472 570 V N 1.582 121.496 119.914 -0.001 0.000 2.332 570 V HA -0.166 3.955 4.120 0.001 0.000 0.248 570 V C 2.561 178.655 176.094 0.001 0.000 1.055 570 V CA 1.791 64.090 62.300 -0.002 0.000 1.038 570 V CB -0.592 31.230 31.823 -0.001 0.000 0.651 570 V HN 0.325 nan 8.190 nan 0.000 0.450 571 E N 0.242 120.444 120.200 0.004 0.000 2.072 571 E HA -0.127 4.224 4.350 0.001 0.000 0.191 571 E C 2.239 178.842 176.600 0.006 0.000 0.985 571 E CA 1.523 57.926 56.400 0.005 0.000 0.801 571 E CB -0.607 29.096 29.700 0.005 0.000 0.750 571 E HN 0.541 nan 8.360 nan 0.000 0.452 572 A N 0.519 123.346 122.820 0.010 0.000 1.930 572 A HA -0.055 4.266 4.320 0.001 0.000 0.217 572 A C 2.354 179.937 177.584 -0.002 0.000 1.175 572 A CA 1.885 53.926 52.037 0.006 0.000 0.627 572 A CB -0.743 18.264 19.000 0.012 0.000 0.815 572 A HN 0.292 nan 8.150 nan 0.000 0.443 573 A N 0.043 122.862 122.820 -0.002 0.000 1.933 573 A HA -0.164 4.157 4.320 0.001 0.000 0.218 573 A C 2.082 179.664 177.584 -0.003 0.000 1.175 573 A CA 1.757 53.792 52.037 -0.005 0.000 0.628 573 A CB -0.397 18.600 19.000 -0.006 0.000 0.814 573 A HN 0.569 nan 8.150 nan 0.000 0.444 574 K N -0.805 119.595 120.400 -0.001 0.000 2.057 574 K HA -0.094 4.226 4.320 0.001 0.000 0.207 574 K C 2.080 178.678 176.600 -0.002 0.000 1.049 574 K CA 1.712 57.998 56.287 -0.000 0.000 0.931 574 K CB -0.477 32.023 32.500 0.001 0.000 0.714 574 K HN 0.473 nan 8.250 nan 0.000 0.440 575 T N 2.238 116.790 114.554 -0.003 0.000 2.684 575 T HA -0.119 4.232 4.350 0.001 0.000 0.267 575 T C 1.911 176.606 174.700 -0.009 0.000 1.036 575 T CA 1.154 63.250 62.100 -0.006 0.000 1.148 575 T CB -0.239 68.625 68.868 -0.008 0.000 0.863 575 T HN 0.106 nan 8.240 nan 0.000 0.436 576 L N 0.681 121.898 121.223 -0.010 0.000 2.141 576 L HA -0.044 4.297 4.340 0.001 0.000 0.209 576 L C 2.997 179.862 176.870 -0.008 0.000 1.094 576 L CA 0.896 55.729 54.840 -0.011 0.000 0.763 576 L CB -0.651 41.401 42.059 -0.012 0.000 0.908 576 L HN 0.250 nan 8.230 nan 0.000 0.437 577 A N 0.266 123.083 122.820 -0.005 0.000 1.877 577 A HA -0.204 4.117 4.320 0.001 0.000 0.216 577 A C 2.573 180.155 177.584 -0.003 0.000 1.186 577 A CA 1.689 53.724 52.037 -0.003 0.000 0.620 577 A CB -0.779 18.221 19.000 -0.002 0.000 0.822 577 A HN 0.383 nan 8.150 nan 0.000 0.443 578 A N -0.177 122.641 122.820 -0.004 0.000 1.997 578 A HA -0.204 4.117 4.320 0.001 0.000 0.221 578 A C 1.860 179.441 177.584 -0.005 0.000 1.172 578 A CA 1.917 53.951 52.037 -0.004 0.000 0.645 578 A CB -0.418 18.580 19.000 -0.004 0.000 0.813 578 A HN 0.578 nan 8.150 nan 0.000 0.454 579 K N -0.999 119.397 120.400 -0.007 0.000 2.446 579 K HA 0.179 4.499 4.320 0.001 0.000 0.203 579 K C 0.139 176.735 176.600 -0.007 0.000 1.027 579 K CA 0.153 56.436 56.287 -0.008 0.000 1.166 579 K CB -0.171 32.323 32.500 -0.011 0.000 0.869 579 K HN 0.577 nan 8.250 nan 0.000 0.504 580 N N 0.923 119.620 118.700 -0.005 0.000 2.776 580 N HA -0.185 4.556 4.740 0.001 0.000 0.250 580 N C -1.017 174.490 175.510 -0.004 0.000 1.112 580 N CA 0.092 53.140 53.050 -0.004 0.000 0.733 580 N CB -0.540 37.945 38.487 -0.004 0.000 1.097 580 N HN 0.153 nan 8.380 nan 0.000 0.558 581 I N 1.309 121.876 120.570 -0.005 0.000 2.377 581 I HA 0.245 4.416 4.170 0.001 0.000 0.293 581 I C -0.119 175.996 176.117 -0.003 0.000 0.987 581 I CA -0.275 61.023 61.300 -0.004 0.000 1.185 581 I CB 1.583 39.579 38.000 -0.006 0.000 1.341 581 I HN -0.065 nan 8.210 nan 0.000 0.455 582 K N 5.495 125.894 120.400 -0.002 0.000 2.293 582 K HA 0.745 5.066 4.320 0.001 0.000 0.267 582 K C -0.809 175.789 176.600 -0.003 0.000 1.010 582 K CA -0.308 55.978 56.287 -0.002 0.000 0.875 582 K CB 1.746 34.246 32.500 -0.001 0.000 1.106 582 K HN 0.613 nan 8.250 nan 0.000 0.450 583 A N 3.180 125.997 122.820 -0.005 0.000 2.287 583 A HA 0.486 4.807 4.320 0.001 0.000 0.317 583 A C -0.592 176.985 177.584 -0.011 0.000 1.220 583 A CA -0.756 51.276 52.037 -0.008 0.000 0.835 583 A CB 0.612 19.606 19.000 -0.009 0.000 1.180 583 A HN 0.775 nan 8.150 nan 0.000 0.500 584 R N 2.391 122.882 120.500 -0.015 0.000 2.340 584 R HA 0.486 4.826 4.340 0.001 0.000 0.300 584 R C -1.353 174.924 176.300 -0.037 0.000 1.069 584 R CA -0.037 56.049 56.100 -0.023 0.000 0.984 584 R CB 0.695 30.981 30.300 -0.023 0.000 1.003 584 R HN 0.372 nan 8.270 nan 0.000 0.459 585 V N 6.090 125.976 119.914 -0.048 0.000 2.350 585 V HA 0.278 4.399 4.120 0.001 0.000 0.276 585 V C -0.305 175.716 176.094 -0.122 0.000 1.028 585 V CA -0.730 61.527 62.300 -0.071 0.000 0.860 585 V CB 1.477 33.265 31.823 -0.058 0.000 0.990 585 V HN 0.591 nan 8.190 nan 0.000 0.453 586 V N 4.176 124.003 119.914 -0.145 0.000 2.472 586 V HA 0.444 4.565 4.120 0.001 0.000 0.290 586 V C 0.371 176.312 176.094 -0.255 0.000 1.037 586 V CA -0.121 62.045 62.300 -0.224 0.000 0.908 586 V CB 1.957 33.654 31.823 -0.210 0.000 0.985 586 V HN 0.855 nan 8.190 nan 0.000 0.454 587 S N 4.925 120.377 115.700 -0.412 0.000 2.437 587 S HA 0.594 5.065 4.470 0.001 0.000 0.305 587 S C -0.580 173.878 174.600 -0.236 0.000 1.109 587 S CA -0.543 57.463 58.200 -0.324 0.000 1.099 587 S CB 0.640 63.560 63.200 -0.467 0.000 1.004 587 S HN 0.675 nan 8.310 nan 0.000 0.475 588 L N 8.170 129.343 121.223 -0.083 0.000 2.709 588 L HA 0.416 4.756 4.340 0.001 0.000 0.236 588 L C -1.526 175.395 176.870 0.084 0.000 1.266 588 L CA -1.961 52.822 54.840 -0.095 0.000 0.987 588 L CB 1.400 43.330 42.059 -0.216 0.000 1.306 588 L HN 0.594 nan 8.230 nan 0.000 0.467 589 P HA -0.099 nan 4.420 nan 0.000 0.221 589 P C -0.107 177.202 177.300 0.015 0.000 1.145 589 P CA 0.992 64.234 63.100 0.236 0.000 0.795 589 P CB 0.324 32.316 31.700 0.487 0.000 0.775 590 D N -2.097 118.191 120.400 -0.187 0.000 2.764 590 D HA 0.161 4.802 4.640 0.001 0.000 0.227 590 D C 0.513 176.829 176.300 0.027 0.000 1.347 590 D CA -0.663 53.131 54.000 -0.342 0.000 0.953 590 D CB 0.495 40.558 40.800 -1.228 0.000 1.476 590 D HN -0.372 nan 8.370 nan 0.000 0.585 591 F N 2.344 122.227 119.950 -0.111 0.000 2.069 591 F HA -0.059 4.469 4.527 0.001 0.000 0.298 591 F C 2.122 177.983 175.800 0.103 0.000 1.113 591 F CA 0.728 58.764 58.000 0.060 0.000 1.214 591 F CB -1.036 38.004 39.000 0.066 0.000 0.978 591 F HN 0.501 nan 8.300 nan 0.000 0.474 592 F N 1.128 121.147 119.950 0.116 0.000 2.043 592 F HA -0.309 4.218 4.527 0.001 0.000 0.297 592 F C 2.495 178.309 175.800 0.023 0.000 1.121 592 F CA 2.560 60.587 58.000 0.044 0.000 1.199 592 F CB -0.908 38.083 39.000 -0.015 0.000 0.968 592 F HN -0.094 nan 8.300 nan 0.000 0.478 593 T N 0.546 115.139 114.554 0.066 0.000 2.788 593 T HA -0.218 4.133 4.350 0.001 0.000 0.268 593 T C 1.653 176.362 174.700 0.014 0.000 1.044 593 T CA 1.472 63.586 62.100 0.023 0.000 1.139 593 T CB -0.759 68.146 68.868 0.062 0.000 0.867 593 T HN 0.358 nan 8.240 nan 0.000 0.454 594 F N 2.565 122.467 119.950 -0.080 0.000 2.102 594 F HA -0.090 4.438 4.527 0.001 0.000 0.298 594 F C 1.786 177.556 175.800 -0.051 0.000 1.105 594 F CA 1.166 59.141 58.000 -0.043 0.000 1.239 594 F CB -0.413 38.512 39.000 -0.126 0.000 0.991 594 F HN 0.030 nan 8.300 nan 0.000 0.474 595 D N 0.279 120.597 120.400 -0.136 0.000 2.263 595 D HA -0.141 4.500 4.640 0.001 0.000 0.208 595 D C 2.019 178.154 176.300 -0.276 0.000 0.971 595 D CA 1.006 54.874 54.000 -0.221 0.000 0.867 595 D CB -0.269 40.471 40.800 -0.100 0.000 0.929 595 D HN 0.373 nan 8.370 nan 0.000 0.492 596 K N 0.099 120.320 120.400 -0.298 0.000 2.366 596 K HA -0.013 4.307 4.320 0.001 0.000 0.198 596 K C 0.649 177.141 176.600 -0.179 0.000 1.044 596 K CA 0.189 56.324 56.287 -0.252 0.000 0.973 596 K CB 0.276 32.617 32.500 -0.264 0.000 0.767 596 K HN 0.134 nan 8.250 nan 0.000 0.475 597 Q N 1.084 120.765 119.800 -0.198 0.000 2.417 597 Q HA 0.124 4.464 4.340 0.001 0.000 0.241 597 Q C -2.287 173.645 176.000 -0.115 0.000 1.008 597 Q CA -2.104 53.612 55.803 -0.144 0.000 0.901 597 Q CB -0.309 28.383 28.738 -0.077 0.000 1.259 597 Q HN 0.070 nan 8.270 nan 0.000 0.489 598 P HA -0.058 nan 4.420 nan 0.000 0.266 598 P C 0.764 178.047 177.300 -0.028 0.000 1.195 598 P CA -0.158 62.922 63.100 -0.032 0.000 0.768 598 P CB 0.599 32.296 31.700 -0.005 0.000 0.838 599 L N 3.350 124.541 121.223 -0.054 0.000 2.137 599 L HA -0.227 4.113 4.340 0.001 0.000 0.213 599 L C 2.316 179.162 176.870 -0.039 0.000 1.085 599 L CA 1.991 56.792 54.840 -0.065 0.000 0.760 599 L CB -1.016 41.011 42.059 -0.054 0.000 0.893 599 L HN 0.526 nan 8.230 nan 0.000 0.434 600 E N -1.885 118.312 120.200 -0.005 0.000 2.152 600 E HA -0.290 4.061 4.350 0.001 0.000 0.192 600 E C 2.192 178.809 176.600 0.027 0.000 0.983 600 E CA 1.355 57.760 56.400 0.008 0.000 0.818 600 E CB -0.874 28.840 29.700 0.023 0.000 0.758 600 E HN 0.635 nan 8.360 nan 0.000 0.467 601 Y N 2.321 122.593 120.300 -0.047 0.000 2.184 601 Y HA -0.046 4.505 4.550 0.001 0.000 0.290 601 Y C 2.415 178.301 175.900 -0.024 0.000 1.129 601 Y CA 1.812 59.896 58.100 -0.026 0.000 1.144 601 Y CB -0.104 38.332 38.460 -0.040 0.000 0.995 601 Y HN -0.136 nan 8.280 nan 0.000 0.513 602 R N 0.103 120.485 120.500 -0.197 0.000 2.083 602 R HA -0.191 4.149 4.340 0.001 0.000 0.237 602 R C 2.290 178.528 176.300 -0.103 0.000 1.137 602 R CA 2.022 57.961 56.100 -0.269 0.000 0.951 602 R CB -0.863 29.198 30.300 -0.398 0.000 0.851 602 R HN 0.379 nan 8.270 nan 0.000 0.434 603 L N 1.112 122.286 121.223 -0.082 0.000 2.261 603 L HA -0.176 4.165 4.340 0.001 0.000 0.216 603 L C 2.704 179.536 176.870 -0.065 0.000 1.114 603 L CA 1.312 56.123 54.840 -0.049 0.000 0.777 603 L CB -0.447 41.591 42.059 -0.035 0.000 0.910 603 L HN 0.329 nan 8.230 nan 0.000 0.440 604 S N -1.175 114.457 115.700 -0.114 0.000 2.406 604 S HA -0.092 4.378 4.470 0.001 0.000 0.228 604 S C 1.825 176.345 174.600 -0.133 0.000 1.020 604 S CA 0.954 59.088 58.200 -0.110 0.000 0.965 604 S CB -0.349 62.781 63.200 -0.116 0.000 0.798 604 S HN 0.168 nan 8.310 nan 0.000 0.488 605 V N 1.185 120.979 119.914 -0.200 0.000 2.407 605 V HA 0.258 4.379 4.120 0.001 0.000 0.245 605 V C 1.051 177.099 176.094 -0.077 0.000 1.041 605 V CA 1.006 63.219 62.300 -0.144 0.000 1.040 605 V CB -0.550 31.183 31.823 -0.151 0.000 0.671 605 V HN 0.480 nan 8.190 nan 0.000 0.455 606 L N 2.974 124.178 121.223 -0.031 0.000 2.502 606 L HA 0.382 4.723 4.340 0.001 0.000 0.247 606 L C -2.508 174.361 176.870 -0.001 0.000 1.180 606 L CA -1.381 53.453 54.840 -0.011 0.000 0.956 606 L CB 1.312 43.384 42.059 0.022 0.000 1.282 606 L HN 0.171 nan 8.230 nan 0.000 0.470 607 P HA 0.212 nan 4.420 nan 0.000 0.278 607 P C -0.692 176.618 177.300 0.016 0.000 1.266 607 P CA -0.493 62.606 63.100 -0.001 0.000 0.807 607 P CB 1.331 33.026 31.700 -0.009 0.000 1.094 608 D N 0.139 120.546 120.400 0.013 0.000 2.372 608 D HA 0.019 4.660 4.640 0.001 0.000 0.243 608 D C 0.909 177.214 176.300 0.007 0.000 1.297 608 D CA 0.435 54.446 54.000 0.019 0.000 0.958 608 D CB -0.396 40.409 40.800 0.008 0.000 1.114 608 D HN 0.380 nan 8.370 nan 0.000 0.496 609 N N -1.796 116.899 118.700 -0.009 0.000 2.708 609 N HA -0.159 4.582 4.740 0.001 0.000 0.251 609 N C -1.076 174.409 175.510 -0.041 0.000 1.123 609 N CA 0.653 53.684 53.050 -0.033 0.000 0.739 609 N CB -1.296 37.178 38.487 -0.021 0.000 1.113 609 N HN 0.144 nan 8.380 nan 0.000 0.561 610 V N -0.885 119.008 119.914 -0.035 0.000 2.760 610 V HA 0.525 4.646 4.120 0.001 0.000 0.309 610 V C -2.186 173.868 176.094 -0.067 0.000 1.077 610 V CA -1.734 60.545 62.300 -0.034 0.000 0.910 610 V CB 2.682 34.505 31.823 -0.000 0.000 1.008 610 V HN -0.159 nan 8.190 nan 0.000 0.424 611 P HA 0.362 nan 4.420 nan 0.000 0.268 611 P C -0.890 176.466 177.300 0.093 0.000 1.205 611 P CA 0.160 63.182 63.100 -0.131 0.000 0.771 611 P CB 1.152 32.819 31.700 -0.055 0.000 0.858 612 I N 3.432 124.174 120.570 0.286 0.000 2.418 612 I HA 0.405 4.576 4.170 0.001 0.000 0.287 612 I C 0.274 176.472 176.117 0.134 0.000 1.008 612 I CA -0.635 60.764 61.300 0.165 0.000 1.104 612 I CB 1.815 39.879 38.000 0.106 0.000 1.264 612 I HN 0.226 nan 8.210 nan 0.000 0.438 613 M N 6.400 126.038 119.600 0.065 0.000 2.243 613 M HA 0.431 4.912 4.480 0.001 0.000 0.324 613 M C -0.312 175.954 176.300 -0.057 0.000 1.031 613 M CA -0.404 54.916 55.300 0.032 0.000 0.949 613 M CB 1.580 34.198 32.600 0.031 0.000 1.615 613 M HN 0.671 nan 8.290 nan 0.000 0.430 614 S N 3.798 119.410 115.700 -0.146 0.000 2.586 614 S HA 0.700 5.171 4.470 0.001 0.000 0.274 614 S C -0.651 173.733 174.600 -0.360 0.000 1.281 614 S CA -0.752 57.188 58.200 -0.435 0.000 1.035 614 S CB 1.487 64.095 63.200 -0.986 0.000 0.962 614 S HN 0.563 nan 8.310 nan 0.000 0.512 615 V N 2.311 122.016 119.914 -0.348 0.000 2.447 615 V HA 0.624 4.745 4.120 0.001 0.000 0.292 615 V C -0.422 175.595 176.094 -0.128 0.000 1.021 615 V CA -0.348 61.903 62.300 -0.082 0.000 0.850 615 V CB 0.949 32.824 31.823 0.088 0.000 1.005 615 V HN 1.050 nan 8.190 nan 0.000 0.426 616 E N 3.019 123.148 120.200 -0.119 0.000 2.343 616 E HA 0.337 4.688 4.350 0.001 0.000 0.286 616 E C -0.431 175.992 176.600 -0.296 0.000 0.915 616 E CA -0.619 55.709 56.400 -0.120 0.000 0.784 616 E CB 2.478 32.200 29.700 0.038 0.000 1.251 616 E HN 0.540 nan 8.360 nan 0.000 0.407 617 V N 2.896 122.515 119.914 -0.492 0.000 3.273 617 V HA 0.345 4.466 4.120 0.001 0.000 0.379 617 V C -0.077 175.728 176.094 -0.481 0.000 1.256 617 V CA 0.202 62.015 62.300 -0.812 0.000 1.455 617 V CB -1.468 29.802 31.823 -0.920 0.000 1.247 617 V HN 0.426 nan 8.190 nan 0.000 0.469 618 L N 0.109 121.165 121.223 -0.279 0.000 2.357 618 L HA 0.899 5.240 4.340 0.001 0.000 0.244 618 L C 0.707 177.520 176.870 -0.095 0.000 1.115 618 L CA -0.636 54.099 54.840 -0.176 0.000 0.919 618 L CB 1.320 43.325 42.059 -0.090 0.000 1.532 618 L HN 0.173 nan 8.230 nan 0.000 0.416 619 A N -0.457 122.323 122.820 -0.068 0.000 2.520 619 A HA 0.307 4.628 4.320 0.001 0.000 0.235 619 A C 0.941 178.586 177.584 0.101 0.000 1.065 619 A CA 0.676 52.695 52.037 -0.030 0.000 0.764 619 A CB -0.069 18.898 19.000 -0.055 0.000 1.002 619 A HN 0.854 nan 8.150 nan 0.000 0.502 620 T N -1.777 112.841 114.554 0.106 0.000 3.065 620 T HA -0.034 4.317 4.350 0.001 0.000 0.252 620 T C 1.497 176.341 174.700 0.240 0.000 1.099 620 T CA 1.014 63.245 62.100 0.219 0.000 1.063 620 T CB -0.802 68.142 68.868 0.127 0.000 0.948 620 T HN 0.954 nan 8.240 nan 0.000 0.506 621 T N 0.947 115.575 114.554 0.122 0.000 2.778 621 T HA -0.190 4.161 4.350 0.001 0.000 0.269 621 T C 2.076 176.817 174.700 0.069 0.000 1.050 621 T CA 1.331 63.476 62.100 0.075 0.000 1.137 621 T CB -1.509 67.367 68.868 0.014 0.000 0.860 621 T HN 0.775 nan 8.240 nan 0.000 0.468 622 C N -2.265 117.066 119.300 0.053 0.000 2.673 622 C HA 0.488 4.949 4.460 0.001 0.000 0.274 622 C C 1.889 176.864 174.990 -0.025 0.000 1.276 622 C CA -1.670 57.332 59.018 -0.027 0.000 1.701 622 C CB -2.363 25.299 27.740 -0.131 0.000 1.836 622 C HN 0.611 nan 8.230 nan 0.000 0.596 623 W N 1.456 122.820 121.300 0.106 0.000 3.003 623 W HA 0.264 4.925 4.660 0.002 0.000 0.257 623 W C 2.331 178.846 176.519 -0.008 0.000 1.308 623 W CA 0.497 57.911 57.345 0.115 0.000 1.529 623 W CB -0.110 29.437 29.460 0.144 0.000 1.115 623 W HN 0.443 nan 8.180 nan 0.000 0.659 624 G N 1.247 110.139 108.800 0.154 0.000 2.498 624 G HA2 -0.269 3.692 3.960 0.001 0.000 0.219 624 G HA3 -0.269 3.692 3.960 0.001 0.000 0.219 624 G C 1.516 176.369 174.900 -0.078 0.000 1.119 624 G CA 1.017 46.146 45.100 0.048 0.000 0.766 624 G HN 0.378 nan 8.290 nan 0.000 0.552 625 K N -0.942 119.316 120.400 -0.237 0.000 2.366 625 K HA 0.062 4.383 4.320 0.001 0.000 0.198 625 K C 1.112 177.441 176.600 -0.452 0.000 1.044 625 K CA 0.690 56.721 56.287 -0.426 0.000 0.973 625 K CB -0.097 31.999 32.500 -0.672 0.000 0.767 625 K HN 0.376 nan 8.250 nan 0.000 0.475 626 Y N 0.511 120.781 120.300 -0.050 0.000 2.452 626 Y HA 0.428 4.979 4.550 0.001 0.000 0.262 626 Y C 0.821 176.695 175.900 -0.042 0.000 1.089 626 Y CA -0.627 57.444 58.100 -0.048 0.000 1.262 626 Y CB 0.773 39.200 38.460 -0.056 0.000 1.236 626 Y HN 0.121 nan 8.280 nan 0.000 0.512 627 A N -0.715 122.190 122.820 0.141 0.000 2.413 627 A HA 0.543 4.864 4.320 0.001 0.000 0.307 627 A C 0.093 177.628 177.584 -0.082 0.000 1.087 627 A CA -0.474 51.578 52.037 0.024 0.000 0.750 627 A CB 0.770 19.850 19.000 0.133 0.000 1.296 627 A HN 0.279 nan 8.150 nan 0.000 0.423 628 H N 0.260 119.371 119.070 0.068 0.000 2.395 628 H HA 0.060 4.617 4.556 0.001 0.000 0.299 628 H C -0.058 175.361 175.328 0.151 0.000 1.070 628 H CA 1.289 57.381 56.048 0.075 0.000 1.356 628 H CB 0.425 30.155 29.762 -0.053 0.000 1.401 628 H HN 0.543 nan 8.280 nan 0.000 0.524 629 Q N 0.286 120.234 119.800 0.247 0.000 2.421 629 Q HA 0.480 4.821 4.340 0.001 0.000 0.280 629 Q C -0.867 175.185 176.000 0.088 0.000 1.085 629 Q CA -0.546 55.353 55.803 0.160 0.000 0.807 629 Q CB 3.236 32.067 28.738 0.155 0.000 1.405 629 Q HN -0.025 nan 8.270 nan 0.000 0.419 630 S N 1.144 116.881 115.700 0.061 0.000 2.575 630 S HA 0.537 5.007 4.470 0.001 0.000 0.278 630 S C -1.434 173.224 174.600 0.096 0.000 1.139 630 S CA -0.582 57.634 58.200 0.027 0.000 0.954 630 S CB 1.071 64.287 63.200 0.027 0.000 1.054 630 S HN 0.468 nan 8.310 nan 0.000 0.483 631 F N 3.117 122.999 119.950 -0.113 0.000 2.361 631 F HA 0.786 5.314 4.527 0.001 0.000 0.364 631 F C 0.410 176.262 175.800 0.086 0.000 1.117 631 F CA -0.557 57.394 58.000 -0.081 0.000 1.071 631 F CB 0.354 39.246 39.000 -0.180 0.000 1.188 631 F HN 0.723 nan 8.300 nan 0.000 0.464 632 G N 5.542 114.398 108.800 0.094 0.000 2.753 632 G HA2 0.541 4.502 3.960 0.001 0.000 0.303 632 G HA3 0.541 4.502 3.960 0.001 0.000 0.303 632 G C -1.742 173.163 174.900 0.008 0.000 1.242 632 G CA -0.787 44.337 45.100 0.041 0.000 0.810 632 G HN 0.425 nan 8.290 nan 0.000 0.515 633 I N 1.185 121.674 120.570 -0.136 0.000 2.439 633 I HA 0.313 4.484 4.170 0.001 0.000 0.285 633 I C -1.062 174.947 176.117 -0.180 0.000 1.021 633 I CA -0.522 60.649 61.300 -0.216 0.000 1.091 633 I CB 2.234 39.911 38.000 -0.538 0.000 1.242 633 I HN 0.299 nan 8.210 nan 0.000 0.439 634 D N 7.165 127.498 120.400 -0.112 0.000 2.894 634 D HA 0.201 4.842 4.640 0.001 0.000 0.273 634 D C -0.022 176.190 176.300 -0.147 0.000 1.328 634 D CA -0.034 53.893 54.000 -0.122 0.000 0.845 634 D CB 0.546 41.312 40.800 -0.057 0.000 1.072 634 D HN 0.588 nan 8.370 nan 0.000 0.484 635 R N -1.803 118.586 120.500 -0.185 0.000 2.781 635 R HA 0.531 4.871 4.340 0.001 0.000 0.269 635 R C -0.638 175.536 176.300 -0.210 0.000 1.025 635 R CA -0.804 55.211 56.100 -0.142 0.000 0.914 635 R CB 0.608 30.952 30.300 0.074 0.000 1.236 635 R HN -0.313 nan 8.270 nan 0.000 0.465 636 F N 0.185 120.168 119.950 0.055 0.000 2.435 636 F HA 0.416 4.944 4.527 0.001 0.000 0.316 636 F C 1.774 177.641 175.800 0.112 0.000 1.220 636 F CA 1.103 59.129 58.000 0.044 0.000 1.241 636 F CB 0.484 39.519 39.000 0.058 0.000 1.234 636 F HN 0.776 nan 8.300 nan 0.000 0.569 637 G N -0.430 108.552 108.800 0.302 0.000 2.514 637 G HA2 0.555 4.516 3.960 0.001 0.000 0.245 637 G HA3 0.555 4.516 3.960 0.001 0.000 0.245 637 G C -1.447 173.668 174.900 0.359 0.000 1.488 637 G CA 0.026 45.302 45.100 0.294 0.000 1.063 637 G HN 0.902 nan 8.290 nan 0.000 0.557 638 A N -1.569 121.408 122.820 0.261 0.000 2.566 638 A HA 0.591 4.912 4.320 0.001 0.000 0.297 638 A C -0.321 177.283 177.584 0.033 0.000 1.059 638 A CA -0.157 51.946 52.037 0.110 0.000 0.691 638 A CB 1.380 20.371 19.000 -0.015 0.000 1.282 638 A HN 1.159 nan 8.150 nan 0.000 0.401 639 S N 1.060 116.753 115.700 -0.012 0.000 2.414 639 S HA 0.586 5.057 4.470 0.001 0.000 0.290 639 S C 0.425 174.994 174.600 -0.052 0.000 1.160 639 S CA 0.681 58.865 58.200 -0.026 0.000 1.069 639 S CB -0.429 62.754 63.200 -0.028 0.000 1.012 639 S HN 2.055 nan 8.310 nan 0.000 0.510 640 G N 4.002 112.781 108.800 -0.035 0.000 2.550 640 G HA2 0.336 4.297 3.960 0.001 0.000 0.293 640 G HA3 0.336 4.297 3.960 0.001 0.000 0.293 640 G C -1.695 173.204 174.900 -0.002 0.000 1.402 640 G CA -0.958 44.120 45.100 -0.037 0.000 0.784 640 G HN 0.524 nan 8.290 nan 0.000 0.482 641 K N 0.612 121.019 120.400 0.011 0.000 2.448 641 K HA 0.336 4.657 4.320 0.001 0.000 0.278 641 K C 1.539 178.184 176.600 0.074 0.000 1.009 641 K CA 0.346 56.655 56.287 0.037 0.000 0.995 641 K CB 1.497 34.021 32.500 0.039 0.000 0.917 641 K HN 0.663 nan 8.250 nan 0.000 0.481 642 A N 6.018 128.898 122.820 0.099 0.000 1.903 642 A HA -0.177 4.144 4.320 0.001 0.000 0.219 642 A C -0.511 177.268 177.584 0.325 0.000 1.191 642 A CA 1.602 53.753 52.037 0.190 0.000 0.638 642 A CB -1.346 17.773 19.000 0.199 0.000 0.823 642 A HN 0.591 nan 8.150 nan 0.000 0.451 643 P HA -0.101 nan 4.420 nan 0.000 0.219 643 P C 0.993 178.434 177.300 0.235 0.000 1.150 643 P CA 1.374 64.611 63.100 0.227 0.000 0.814 643 P CB -0.143 31.622 31.700 0.107 0.000 0.787 644 E N -0.458 119.842 120.200 0.167 0.000 2.152 644 E HA -0.069 4.282 4.350 0.001 0.000 0.192 644 E C 1.965 178.669 176.600 0.174 0.000 0.983 644 E CA 0.770 57.252 56.400 0.137 0.000 0.818 644 E CB -0.407 29.331 29.700 0.063 0.000 0.758 644 E HN 0.057 nan 8.360 nan 0.000 0.467 645 V N 0.626 120.647 119.914 0.178 0.000 2.379 645 V HA -0.206 3.915 4.120 0.001 0.000 0.245 645 V C 1.864 178.146 176.094 0.314 0.000 1.044 645 V CA 1.484 63.901 62.300 0.195 0.000 1.036 645 V CB -0.507 31.381 31.823 0.110 0.000 0.664 645 V HN 0.171 nan 8.190 nan 0.000 0.453 646 F N 0.810 120.911 119.950 0.251 0.000 2.095 646 F HA -0.191 4.337 4.527 0.001 0.000 0.298 646 F C 2.437 178.419 175.800 0.304 0.000 1.104 646 F CA 1.845 60.004 58.000 0.266 0.000 1.232 646 F CB -0.449 38.648 39.000 0.163 0.000 0.987 646 F HN 0.040 nan 8.300 nan 0.000 0.475 647 K N -0.744 119.906 120.400 0.416 0.000 2.063 647 K HA -0.224 4.096 4.320 0.001 0.000 0.208 647 K C 2.037 178.789 176.600 0.253 0.000 1.048 647 K CA 1.679 58.140 56.287 0.291 0.000 0.928 647 K CB -0.654 31.972 32.500 0.209 0.000 0.713 647 K HN 0.213 nan 8.250 nan 0.000 0.442 648 F N 0.975 120.962 119.950 0.062 0.000 2.126 648 F HA -0.181 4.347 4.527 0.001 0.000 0.299 648 F C 1.452 177.173 175.800 -0.131 0.000 1.096 648 F CA 1.416 59.352 58.000 -0.107 0.000 1.255 648 F CB -0.222 38.617 39.000 -0.269 0.000 0.997 648 F HN -0.118 nan 8.300 nan 0.000 0.479 649 F N 0.570 120.516 119.950 -0.006 0.000 2.811 649 F HA 0.274 4.802 4.527 0.001 0.000 0.301 649 F C 1.963 177.852 175.800 0.148 0.000 1.151 649 F CA 0.720 58.704 58.000 -0.025 0.000 1.412 649 F CB -0.365 38.712 39.000 0.127 0.000 1.113 649 F HN 0.195 nan 8.300 nan 0.000 0.579 650 G N -0.527 108.441 108.800 0.280 0.000 2.175 650 G HA2 -0.308 3.653 3.960 0.001 0.000 0.244 650 G HA3 -0.308 3.653 3.960 0.001 0.000 0.244 650 G C 0.223 175.288 174.900 0.276 0.000 0.982 650 G CA -0.528 44.709 45.100 0.228 0.000 0.641 650 G HN 0.237 nan 8.290 nan 0.000 0.527 651 F N 2.563 122.720 119.950 0.344 0.000 2.573 651 F HA 0.544 5.072 4.527 0.001 0.000 0.349 651 F C 0.972 176.916 175.800 0.240 0.000 1.213 651 F CA 0.278 58.463 58.000 0.309 0.000 1.300 651 F CB 0.942 40.101 39.000 0.265 0.000 1.661 651 F HN -0.029 nan 8.300 nan 0.000 0.616 652 T N 1.927 116.643 114.554 0.270 0.000 2.908 652 T HA 0.257 4.608 4.350 0.001 0.000 0.290 652 T C -1.671 173.091 174.700 0.103 0.000 1.034 652 T CA -1.688 60.505 62.100 0.154 0.000 1.010 652 T CB 2.107 71.048 68.868 0.121 0.000 1.068 652 T HN 0.006 nan 8.240 nan 0.000 0.481 653 P HA -0.157 nan 4.420 nan 0.000 0.214 653 P C 1.321 178.631 177.300 0.016 0.000 1.163 653 P CA 1.101 64.224 63.100 0.038 0.000 0.889 653 P CB 0.221 31.934 31.700 0.022 0.000 0.790 654 E N -0.759 119.446 120.200 0.008 0.000 2.418 654 E HA -0.011 4.340 4.350 0.001 0.000 0.197 654 E C 2.160 178.731 176.600 -0.047 0.000 1.026 654 E CA 1.312 57.702 56.400 -0.018 0.000 0.862 654 E CB -1.588 28.103 29.700 -0.015 0.000 0.799 654 E HN 0.273 nan 8.360 nan 0.000 0.518 655 G N 1.411 110.189 108.800 -0.037 0.000 2.396 655 G HA2 -0.122 3.839 3.960 0.001 0.000 0.214 655 G HA3 -0.122 3.839 3.960 0.001 0.000 0.214 655 G C 1.749 176.509 174.900 -0.234 0.000 1.166 655 G CA 0.676 45.712 45.100 -0.106 0.000 0.793 655 G HN 0.213 nan 8.290 nan 0.000 0.533 656 V N 1.621 121.476 119.914 -0.098 0.000 2.307 656 V HA -0.083 4.038 4.120 0.001 0.000 0.245 656 V C 3.334 179.351 176.094 -0.128 0.000 1.045 656 V CA 1.907 64.143 62.300 -0.106 0.000 1.024 656 V CB -0.832 31.031 31.823 0.067 0.000 0.651 656 V HN 0.444 nan 8.190 nan 0.000 0.449 657 A N -0.150 122.624 122.820 -0.077 0.000 1.892 657 A HA -0.332 3.989 4.320 0.001 0.000 0.218 657 A C 2.301 179.827 177.584 -0.097 0.000 1.188 657 A CA 2.331 54.327 52.037 -0.068 0.000 0.631 657 A CB -0.612 18.363 19.000 -0.043 0.000 0.822 657 A HN 0.663 nan 8.150 nan 0.000 0.447 658 E N -0.357 119.767 120.200 -0.126 0.000 2.051 658 E HA -0.236 4.115 4.350 0.001 0.000 0.192 658 E C 2.214 178.707 176.600 -0.180 0.000 0.991 658 E CA 1.304 57.621 56.400 -0.139 0.000 0.799 658 E CB -0.125 29.486 29.700 -0.148 0.000 0.748 658 E HN 0.630 nan 8.360 nan 0.000 0.449 659 R N -0.012 120.321 120.500 -0.279 0.000 2.148 659 R HA -0.012 4.329 4.340 0.001 0.000 0.223 659 R C 2.395 178.585 176.300 -0.183 0.000 1.088 659 R CA 0.860 56.777 56.100 -0.306 0.000 0.985 659 R CB -0.201 29.765 30.300 -0.557 0.000 0.880 659 R HN 0.182 nan 8.270 nan 0.000 0.451 660 A N 1.316 124.053 122.820 -0.139 0.000 1.877 660 A HA -0.229 4.092 4.320 0.001 0.000 0.216 660 A C 2.022 179.584 177.584 -0.037 0.000 1.186 660 A CA 1.261 53.260 52.037 -0.062 0.000 0.620 660 A CB -0.376 18.595 19.000 -0.048 0.000 0.822 660 A HN 0.316 nan 8.150 nan 0.000 0.443 661 Q N -0.428 119.341 119.800 -0.052 0.000 2.124 661 Q HA -0.164 4.177 4.340 0.001 0.000 0.202 661 Q C 1.941 177.923 176.000 -0.029 0.000 0.977 661 Q CA 1.370 57.153 55.803 -0.034 0.000 0.850 661 Q CB -0.189 28.524 28.738 -0.042 0.000 0.901 661 Q HN 0.515 nan 8.270 nan 0.000 0.429 662 K N 0.080 120.445 120.400 -0.059 0.000 2.097 662 K HA -0.063 4.258 4.320 0.001 0.000 0.205 662 K C 2.124 178.711 176.600 -0.021 0.000 1.050 662 K CA 1.289 57.542 56.287 -0.056 0.000 0.938 662 K CB -0.430 32.004 32.500 -0.111 0.000 0.718 662 K HN 0.202 nan 8.250 nan 0.000 0.442 663 T N 2.407 116.954 114.554 -0.012 0.000 2.708 663 T HA -0.084 4.266 4.350 0.001 0.000 0.266 663 T C 2.106 176.918 174.700 0.186 0.000 1.037 663 T CA 1.112 63.265 62.100 0.088 0.000 1.146 663 T CB -0.232 68.702 68.868 0.111 0.000 0.865 663 T HN 0.125 nan 8.240 nan 0.000 0.435 664 I N 1.347 121.986 120.570 0.116 0.000 2.163 664 I HA -0.249 3.921 4.170 0.001 0.000 0.243 664 I C 2.936 179.107 176.117 0.089 0.000 1.085 664 I CA 1.290 62.654 61.300 0.106 0.000 1.347 664 I CB -0.536 37.493 38.000 0.048 0.000 1.044 664 I HN 0.216 nan 8.210 nan 0.000 0.408 665 A N 0.625 123.477 122.820 0.053 0.000 1.883 665 A HA -0.282 4.039 4.320 0.001 0.000 0.217 665 A C 2.244 179.840 177.584 0.021 0.000 1.186 665 A CA 1.640 53.695 52.037 0.029 0.000 0.624 665 A CB -1.079 17.930 19.000 0.014 0.000 0.822 665 A HN 0.460 nan 8.150 nan 0.000 0.444 666 F N -0.820 119.031 119.950 -0.165 0.000 2.161 666 F HA -0.183 4.345 4.527 0.001 0.000 0.300 666 F C 1.760 177.350 175.800 -0.351 0.000 1.089 666 F CA 1.621 59.438 58.000 -0.306 0.000 1.282 666 F CB -0.211 38.502 39.000 -0.477 0.000 1.010 666 F HN 0.306 nan 8.300 nan 0.000 0.485 667 Y N -0.141 120.145 120.300 -0.024 0.000 2.462 667 Y HA 0.200 4.751 4.550 0.001 0.000 0.261 667 Y C 0.978 176.809 175.900 -0.115 0.000 1.146 667 Y CA -0.268 57.755 58.100 -0.128 0.000 1.283 667 Y CB -0.551 37.873 38.460 -0.059 0.000 1.090 667 Y HN -0.297 nan 8.280 nan 0.000 0.526 668 K N 0.989 121.410 120.400 0.035 0.000 2.430 668 K HA 0.128 4.449 4.320 0.001 0.000 0.280 668 K C 1.014 177.601 176.600 -0.021 0.000 1.063 668 K CA 1.245 57.538 56.287 0.010 0.000 1.071 668 K CB -0.021 32.479 32.500 -0.001 0.000 0.899 668 K HN 0.599 nan 8.250 nan 0.000 0.473 669 G N 3.821 112.613 108.800 -0.014 0.000 2.284 669 G HA2 -0.185 3.776 3.960 0.001 0.000 0.216 669 G HA3 -0.185 3.776 3.960 0.001 0.000 0.216 669 G C -0.109 174.774 174.900 -0.028 0.000 1.009 669 G CA -0.228 44.856 45.100 -0.026 0.000 0.625 669 G HN 0.638 nan 8.290 nan 0.000 0.501 670 D N 1.378 121.766 120.400 -0.021 0.000 2.313 670 D HA 0.456 5.097 4.640 0.001 0.000 0.247 670 D C 0.655 176.936 176.300 -0.032 0.000 1.094 670 D CA 0.118 54.106 54.000 -0.020 0.000 0.925 670 D CB 1.338 42.146 40.800 0.013 0.000 1.188 670 D HN 0.671 nan 8.370 nan 0.000 0.430 671 K N 1.219 121.598 120.400 -0.035 0.000 2.258 671 K HA 0.388 4.709 4.320 0.001 0.000 0.284 671 K C -0.999 175.557 176.600 -0.073 0.000 1.051 671 K CA -0.466 55.794 56.287 -0.045 0.000 0.923 671 K CB 0.583 33.067 32.500 -0.027 0.000 1.046 671 K HN 0.211 nan 8.250 nan 0.000 0.474 672 L N 4.841 125.996 121.223 -0.112 0.000 2.272 672 L HA 0.327 4.668 4.340 0.001 0.000 0.289 672 L C -0.446 176.399 176.870 -0.042 0.000 1.032 672 L CA -0.897 53.841 54.840 -0.171 0.000 0.810 672 L CB 1.262 43.087 42.059 -0.391 0.000 1.205 672 L HN 0.665 nan 8.230 nan 0.000 0.422 673 I N 2.271 122.858 120.570 0.028 0.000 2.416 673 I HA 0.077 4.247 4.170 0.001 0.000 0.288 673 I C 0.949 177.139 176.117 0.121 0.000 1.051 673 I CA 0.065 61.403 61.300 0.062 0.000 1.375 673 I CB 1.182 39.210 38.000 0.046 0.000 1.407 673 I HN 0.555 nan 8.210 nan 0.000 0.516 674 S N 8.279 124.020 115.700 0.068 0.000 2.702 674 S HA -0.005 4.466 4.470 0.001 0.000 0.314 674 S C -1.256 173.329 174.600 -0.026 0.000 1.244 674 S CA -0.599 57.617 58.200 0.027 0.000 1.058 674 S CB 0.336 63.542 63.200 0.011 0.000 0.783 674 S HN 0.412 nan 8.310 nan 0.000 0.503 675 P HA -0.081 nan 4.420 nan 0.000 0.219 675 P C 1.252 178.515 177.300 -0.062 0.000 1.146 675 P CA 0.944 63.973 63.100 -0.118 0.000 0.808 675 P CB 0.024 31.613 31.700 -0.186 0.000 0.779 676 L N -1.247 119.969 121.223 -0.011 0.000 2.187 676 L HA -0.152 4.189 4.340 0.001 0.000 0.213 676 L C 1.092 177.934 176.870 -0.046 0.000 1.100 676 L CA 1.155 55.992 54.840 -0.004 0.000 0.765 676 L CB -0.894 41.185 42.059 0.033 0.000 0.904 676 L HN 0.015 nan 8.230 nan 0.000 0.437 677 K N 2.369 122.742 120.400 -0.045 0.000 2.383 677 K HA 0.122 4.443 4.320 0.001 0.000 0.286 677 K C -0.231 176.313 176.600 -0.094 0.000 1.051 677 K CA 0.075 56.328 56.287 -0.057 0.000 0.974 677 K CB 0.530 33.010 32.500 -0.034 0.000 0.968 677 K HN 0.181 nan 8.250 nan 0.000 0.475 678 K N 0.736 121.059 120.400 -0.129 0.000 2.208 678 K HA 0.443 4.764 4.320 0.001 0.000 0.247 678 K C 0.297 176.776 176.600 -0.201 0.000 0.953 678 K CA -0.824 55.333 56.287 -0.217 0.000 0.837 678 K CB 1.733 34.035 32.500 -0.329 0.000 1.131 678 K HN 0.389 nan 8.250 nan 0.000 0.431 679 A N 1.646 124.312 122.820 -0.256 0.000 2.119 679 A HA 0.148 4.469 4.320 0.001 0.000 0.216 679 A C 0.134 177.772 177.584 0.089 0.000 1.152 679 A CA 0.704 52.707 52.037 -0.057 0.000 0.708 679 A CB -0.689 18.372 19.000 0.102 0.000 0.805 679 A HN 0.700 nan 8.150 nan 0.000 0.460 680 F N 0.000 119.948 119.950 -0.004 0.000 2.286 680 F HA 0.000 4.528 4.527 0.001 0.000 0.279 680 F CA 0.000 57.998 58.000 -0.004 0.000 1.383 680 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 680 F HN 0.000 nan 8.300 nan 0.000 0.574