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 2x5f_1_B DATA FIRST_RESID 0 DATA SEQUENCE AMNPLAQSLN EQLQQSNATA FAMLSDLGQN MFYPKGILSQ SAEAKSTTYN DATA SEQUENCE ATIGMATNKD GKMFASSLDA MFNDLTPDEI FPYAPPQGIE ELRDLWQQKM DATA SEQUENCE LRDNPELSID NMSRPIVTNA LTHGLSLVGD LFVNQDDTIL LPEHNWGNYK DATA SEQUENCE LVFNTRNGAN LQTYPIFDKD GHYTTDSLVE ALQSYNKDKV IMILNYPNNP DATA SEQUENCE TGYTPTHKEV TTIVEAIKAL ANKGTKVIAV VDDAYYGLFY EDVYTQSLFT DATA SEQUENCE ALTNLHSNAI LPIRLDGATK EFFAWGFRVG FMTFGTSDQT TKEVLEAKVK DATA SEQUENCE GLIRSNISSG PLPTQSAVKH VLKNNKQFDK EIEQNIQTLK ERYEVTKEVV DATA SEQUENCE YADQYHSHWQ AYDFNSGYFM AIKVHDVDPE ALRKHLIDKY SIGVIALNAT DATA SEQUENCE DIRIAFSCVE KDDIPHVFDS IAKAIDDL 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.589 177.584 0.008 0.000 1.274 0 A CA 0.000 52.041 52.037 0.007 0.000 0.836 0 A CB 0.000 19.001 19.000 0.001 0.000 0.831 1 M N 1.470 121.071 119.600 0.003 0.000 2.228 1 M HA 0.202 4.682 4.480 0.001 0.000 0.351 1 M C 0.228 176.488 176.300 -0.067 0.000 1.233 1 M CA -0.030 55.267 55.300 -0.005 0.000 1.129 1 M CB 0.332 32.937 32.600 0.009 0.000 1.604 1 M HN 0.490 nan 8.290 nan 0.000 0.457 2 N N 5.054 123.671 118.700 -0.139 0.000 2.492 2 N HA 0.089 4.830 4.740 0.001 0.000 0.260 2 N C -2.117 173.204 175.510 -0.316 0.000 1.215 2 N CA -1.027 51.832 53.050 -0.318 0.000 0.923 2 N CB 1.219 39.242 38.487 -0.773 0.000 1.092 2 N HN 0.431 nan 8.380 nan 0.000 0.448 3 P HA -0.120 nan 4.420 nan 0.000 0.217 3 P C 1.410 178.581 177.300 -0.215 0.000 1.148 3 P CA 1.182 64.170 63.100 -0.186 0.000 0.828 3 P CB 0.254 31.868 31.700 -0.143 0.000 0.783 4 L N -1.400 119.607 121.223 -0.361 0.000 2.093 4 L HA -0.130 4.211 4.340 0.001 0.000 0.208 4 L C 2.490 179.255 176.870 -0.176 0.000 1.085 4 L CA 1.461 56.134 54.840 -0.279 0.000 0.755 4 L CB -1.139 40.717 42.059 -0.339 0.000 0.904 4 L HN -0.049 nan 8.230 nan 0.000 0.435 5 A N -0.476 122.178 122.820 -0.276 0.000 1.898 5 A HA -0.270 4.051 4.320 0.001 0.000 0.216 5 A C 2.243 179.827 177.584 0.001 0.000 1.181 5 A CA 1.692 53.723 52.037 -0.011 0.000 0.620 5 A CB -0.516 18.515 19.000 0.051 0.000 0.819 5 A HN 0.419 nan 8.150 nan 0.000 0.442 6 Q N -0.605 119.162 119.800 -0.055 0.000 2.084 6 Q HA -0.156 4.185 4.340 0.001 0.000 0.202 6 Q C 2.362 178.334 176.000 -0.047 0.000 0.978 6 Q CA 1.796 57.575 55.803 -0.040 0.000 0.844 6 Q CB -0.208 28.496 28.738 -0.057 0.000 0.898 6 Q HN 0.646 nan 8.270 nan 0.000 0.426 7 S N -0.364 115.306 115.700 -0.050 0.000 2.356 7 S HA -0.130 4.341 4.470 0.001 0.000 0.223 7 S C 1.817 176.406 174.600 -0.018 0.000 1.032 7 S CA 1.121 59.299 58.200 -0.037 0.000 1.005 7 S CB -0.281 62.900 63.200 -0.033 0.000 0.867 7 S HN 0.432 nan 8.310 nan 0.000 0.449 8 L N 1.504 122.735 121.223 0.014 0.000 2.042 8 L HA -0.146 4.194 4.340 0.001 0.000 0.210 8 L C 2.419 179.307 176.870 0.029 0.000 1.076 8 L CA 1.312 56.177 54.840 0.042 0.000 0.749 8 L CB -0.789 41.325 42.059 0.090 0.000 0.893 8 L HN 0.316 nan 8.230 nan 0.000 0.432 9 N N -0.200 118.516 118.700 0.026 0.000 2.120 9 N HA -0.174 4.566 4.740 0.001 0.000 0.188 9 N C 1.755 177.104 175.510 -0.267 0.000 1.024 9 N CA 1.133 54.155 53.050 -0.047 0.000 0.852 9 N CB -0.227 38.265 38.487 0.009 0.000 1.003 9 N HN 0.345 nan 8.380 nan 0.000 0.424 10 E N 1.093 121.181 120.200 -0.186 0.000 2.077 10 E HA -0.154 4.197 4.350 0.001 0.000 0.193 10 E C 1.896 178.419 176.600 -0.129 0.000 0.989 10 E CA 0.825 57.116 56.400 -0.183 0.000 0.800 10 E CB -0.184 29.447 29.700 -0.116 0.000 0.746 10 E HN 0.548 nan 8.360 nan 0.000 0.452 11 Q N 0.254 120.009 119.800 -0.074 0.000 2.084 11 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 11 Q C 2.323 178.304 176.000 -0.031 0.000 0.978 11 Q CA 0.891 56.671 55.803 -0.039 0.000 0.844 11 Q CB -0.144 28.588 28.738 -0.011 0.000 0.898 11 Q HN 0.116 nan 8.270 nan 0.000 0.426 12 L N 0.925 122.135 121.223 -0.022 0.000 2.093 12 L HA -0.189 4.152 4.340 0.001 0.000 0.208 12 L C 2.157 179.029 176.870 0.002 0.000 1.085 12 L CA 1.712 56.568 54.840 0.026 0.000 0.755 12 L CB -0.321 41.810 42.059 0.119 0.000 0.904 12 L HN 0.178 nan 8.230 nan 0.000 0.435 13 Q N -1.091 118.629 119.800 -0.134 0.000 2.096 13 Q HA -0.305 4.035 4.340 0.001 0.000 0.204 13 Q C 2.230 178.189 176.000 -0.068 0.000 0.982 13 Q CA 2.013 57.719 55.803 -0.161 0.000 0.850 13 Q CB -0.146 28.375 28.738 -0.362 0.000 0.901 13 Q HN 0.559 nan 8.270 nan 0.000 0.422 14 Q N -0.129 119.631 119.800 -0.066 0.000 2.079 14 Q HA -0.084 4.256 4.340 0.001 0.000 0.200 14 Q C 1.948 177.941 176.000 -0.011 0.000 0.974 14 Q CA 1.695 57.476 55.803 -0.036 0.000 0.840 14 Q CB -0.154 28.561 28.738 -0.037 0.000 0.898 14 Q HN 0.120 nan 8.270 nan 0.000 0.430 15 S N -0.649 115.050 115.700 -0.002 0.000 2.439 15 S HA 0.117 4.588 4.470 0.001 0.000 0.224 15 S C 0.188 174.803 174.600 0.026 0.000 1.029 15 S CA 0.373 58.580 58.200 0.012 0.000 0.946 15 S CB 0.160 63.369 63.200 0.015 0.000 0.797 15 S HN 0.419 nan 8.310 nan 0.000 0.504 16 N N 0.108 118.832 118.700 0.040 0.000 2.785 16 N HA 0.357 5.097 4.740 0.001 0.000 0.224 16 N C 0.129 175.695 175.510 0.094 0.000 1.448 16 N CA 0.396 53.481 53.050 0.059 0.000 0.748 16 N CB 0.672 39.196 38.487 0.061 0.000 1.385 16 N HN 0.122 nan 8.380 nan 0.000 0.538 17 A N 0.422 123.292 122.820 0.083 0.000 1.940 17 A HA -0.116 4.205 4.320 0.001 0.000 0.219 17 A C 1.855 179.535 177.584 0.159 0.000 1.176 17 A CA 2.118 54.227 52.037 0.121 0.000 0.631 17 A CB -0.464 18.583 19.000 0.079 0.000 0.814 17 A HN 0.504 nan 8.150 nan 0.000 0.446 18 T N 0.240 114.858 114.554 0.106 0.000 2.777 18 T HA 0.012 4.363 4.350 0.001 0.000 0.266 18 T C 2.246 177.004 174.700 0.097 0.000 1.040 18 T CA 1.466 63.618 62.100 0.087 0.000 1.141 18 T CB -0.452 68.447 68.868 0.052 0.000 0.868 18 T HN 0.607 nan 8.240 nan 0.000 0.444 19 A N 1.270 124.154 122.820 0.107 0.000 1.908 19 A HA -0.071 4.250 4.320 0.001 0.000 0.218 19 A C 2.016 179.704 177.584 0.174 0.000 1.181 19 A CA 1.489 53.602 52.037 0.127 0.000 0.627 19 A CB -1.049 18.017 19.000 0.109 0.000 0.818 19 A HN 0.475 nan 8.150 nan 0.000 0.445 20 F N 1.103 121.093 119.950 0.067 0.000 2.126 20 F HA -0.106 4.422 4.527 0.000 0.000 0.299 20 F C 2.453 178.297 175.800 0.073 0.000 1.096 20 F CA 1.250 59.286 58.000 0.059 0.000 1.255 20 F CB -0.447 38.574 39.000 0.035 0.000 0.997 20 F HN 0.234 nan 8.300 nan 0.000 0.479 21 A N 0.063 122.913 122.820 0.050 0.000 2.070 21 A HA -0.167 4.154 4.320 0.001 0.000 0.220 21 A C 2.176 179.728 177.584 -0.054 0.000 1.159 21 A CA 1.682 53.703 52.037 -0.027 0.000 0.656 21 A CB -0.827 18.219 19.000 0.077 0.000 0.800 21 A HN 0.536 nan 8.150 nan 0.000 0.453 22 M N -0.429 119.181 119.600 0.016 0.000 2.492 22 M HA 0.123 4.603 4.480 0.001 0.000 0.262 22 M C -0.013 176.404 176.300 0.194 0.000 1.090 22 M CA 0.323 55.690 55.300 0.113 0.000 1.110 22 M CB -0.272 32.410 32.600 0.137 0.000 1.407 22 M HN 0.227 nan 8.290 nan 0.000 0.470 23 L N 1.226 122.440 121.223 -0.014 0.000 2.456 23 L HA 0.054 4.395 4.340 0.001 0.000 0.272 23 L C 1.071 177.862 176.870 -0.132 0.000 1.189 23 L CA -0.607 54.147 54.840 -0.144 0.000 0.846 23 L CB 0.392 42.245 42.059 -0.342 0.000 1.111 23 L HN 0.253 nan 8.230 nan 0.000 0.475 24 S N 0.860 116.503 115.700 -0.096 0.000 2.617 24 S HA 0.039 4.509 4.470 0.001 0.000 0.255 24 S C 0.674 175.226 174.600 -0.079 0.000 1.318 24 S CA -0.625 57.541 58.200 -0.056 0.000 0.978 24 S CB 0.849 64.035 63.200 -0.024 0.000 0.961 24 S HN 0.604 nan 8.310 nan 0.000 0.582 25 D N 0.095 120.472 120.400 -0.038 0.000 2.097 25 D HA -0.081 4.559 4.640 0.001 0.000 0.195 25 D C 1.801 178.092 176.300 -0.014 0.000 0.989 25 D CA 1.021 55.008 54.000 -0.022 0.000 0.827 25 D CB -0.553 40.247 40.800 0.001 0.000 0.966 25 D HN 0.426 nan 8.370 nan 0.000 0.456 26 L N 0.957 122.171 121.223 -0.015 0.000 2.046 26 L HA -0.024 4.317 4.340 0.001 0.000 0.208 26 L C 2.184 179.037 176.870 -0.030 0.000 1.077 26 L CA 2.182 57.016 54.840 -0.011 0.000 0.747 26 L CB -1.040 41.012 42.059 -0.012 0.000 0.896 26 L HN 0.068 nan 8.230 nan 0.000 0.432 27 G N -1.338 107.412 108.800 -0.083 0.000 2.476 27 G HA2 -0.311 3.649 3.960 0.001 0.000 0.218 27 G HA3 -0.311 3.649 3.960 0.001 0.000 0.218 27 G C 1.462 176.319 174.900 -0.071 0.000 1.164 27 G CA 0.878 45.894 45.100 -0.141 0.000 0.768 27 G HN 0.571 nan 8.290 nan 0.000 0.560 28 Q N -0.109 119.658 119.800 -0.056 0.000 2.124 28 Q HA -0.082 4.259 4.340 0.001 0.000 0.202 28 Q C 2.329 178.392 176.000 0.106 0.000 0.977 28 Q CA 1.197 57.025 55.803 0.043 0.000 0.850 28 Q CB -0.117 28.644 28.738 0.038 0.000 0.901 28 Q HN 0.346 nan 8.270 nan 0.000 0.429 29 N N -0.369 118.381 118.700 0.084 0.000 2.457 29 N HA -0.012 4.729 4.740 0.001 0.000 0.180 29 N C 0.257 175.901 175.510 0.223 0.000 1.050 29 N CA 0.335 53.463 53.050 0.129 0.000 0.906 29 N CB 0.092 38.639 38.487 0.099 0.000 0.968 29 N HN 0.133 nan 8.380 nan 0.000 0.445 30 M N 0.639 120.336 119.600 0.161 0.000 2.241 30 M HA 0.361 4.842 4.480 0.001 0.000 0.335 30 M C -0.687 175.788 176.300 0.293 0.000 1.122 30 M CA -0.637 54.756 55.300 0.155 0.000 1.164 30 M CB 0.129 32.740 32.600 0.019 0.000 1.459 30 M HN 0.120 nan 8.290 nan 0.000 0.461 31 F N 1.302 121.284 119.950 0.052 0.000 2.817 31 F HA 0.513 5.041 4.527 0.002 0.000 0.317 31 F C -2.282 173.600 175.800 0.136 0.000 1.168 31 F CA -1.513 56.533 58.000 0.077 0.000 0.911 31 F CB 0.845 39.875 39.000 0.049 0.000 1.337 31 F HN 0.496 nan 8.300 nan 0.000 0.464 32 Y N 2.879 123.191 120.300 0.020 0.000 2.334 32 Y HA 0.677 5.227 4.550 0.001 0.000 0.336 32 Y C -2.714 173.228 175.900 0.071 0.000 0.960 32 Y CA -3.132 54.916 58.100 -0.087 0.000 1.164 32 Y CB 1.387 39.839 38.460 -0.012 0.000 1.155 32 Y HN 0.343 nan 8.280 nan 0.000 0.478 33 P HA 0.174 nan 4.420 nan 0.000 0.268 33 P C -0.559 176.612 177.300 -0.215 0.000 1.205 33 P CA -0.035 62.982 63.100 -0.137 0.000 0.771 33 P CB 1.296 32.863 31.700 -0.221 0.000 0.858 34 K N 1.012 121.398 120.400 -0.024 0.000 3.336 34 K HA 0.463 4.783 4.320 0.001 0.000 0.252 34 K C 1.389 177.969 176.600 -0.032 0.000 1.031 34 K CA -0.049 56.225 56.287 -0.022 0.000 1.690 34 K CB -0.815 31.701 32.500 0.027 0.000 2.591 34 K HN 0.574 nan 8.250 nan 0.000 0.798 35 G N 1.529 110.324 108.800 -0.008 0.000 3.581 35 G HA2 -0.344 3.617 3.960 0.001 0.000 0.336 35 G HA3 -0.344 3.617 3.960 0.001 0.000 0.336 35 G C 1.053 175.944 174.900 -0.014 0.000 1.259 35 G CA 0.699 45.794 45.100 -0.009 0.000 1.001 35 G HN 0.342 nan 8.290 nan 0.000 0.662 36 I N 0.924 121.477 120.570 -0.029 0.000 2.202 36 I HA -0.025 4.145 4.170 0.001 0.000 0.242 36 I C 2.947 179.051 176.117 -0.022 0.000 1.091 36 I CA 1.967 63.251 61.300 -0.026 0.000 1.368 36 I CB -1.431 36.546 38.000 -0.038 0.000 1.058 36 I HN 0.425 nan 8.210 nan 0.000 0.410 37 L N 1.247 122.446 121.223 -0.040 0.000 2.013 37 L HA -0.268 4.072 4.340 0.001 0.000 0.212 37 L C 2.872 179.752 176.870 0.015 0.000 1.073 37 L CA 2.439 57.272 54.840 -0.012 0.000 0.753 37 L CB -0.560 41.486 42.059 -0.020 0.000 0.890 37 L HN 0.401 nan 8.230 nan 0.000 0.432 38 S N -1.561 114.146 115.700 0.013 0.000 2.356 38 S HA -0.262 4.208 4.470 0.001 0.000 0.223 38 S C 1.904 176.515 174.600 0.019 0.000 1.032 38 S CA 1.249 59.463 58.200 0.023 0.000 1.005 38 S CB -0.751 62.462 63.200 0.022 0.000 0.867 38 S HN 0.655 nan 8.310 nan 0.000 0.449 39 Q N 1.074 120.882 119.800 0.012 0.000 2.061 39 Q HA -0.081 4.259 4.340 0.001 0.000 0.204 39 Q C 2.600 178.611 176.000 0.018 0.000 0.984 39 Q CA 1.903 57.715 55.803 0.014 0.000 0.846 39 Q CB -0.413 28.330 28.738 0.009 0.000 0.902 39 Q HN 0.657 nan 8.270 nan 0.000 0.421 40 S N 0.718 116.429 115.700 0.018 0.000 2.382 40 S HA -0.136 4.335 4.470 0.001 0.000 0.228 40 S C 2.048 176.665 174.600 0.029 0.000 1.027 40 S CA 0.935 59.149 58.200 0.024 0.000 0.991 40 S CB -0.253 62.961 63.200 0.022 0.000 0.823 40 S HN 0.485 nan 8.310 nan 0.000 0.469 41 A N 1.788 124.626 122.820 0.031 0.000 1.877 41 A HA -0.145 4.175 4.320 0.001 0.000 0.216 41 A C 1.992 179.593 177.584 0.028 0.000 1.186 41 A CA 1.476 53.533 52.037 0.033 0.000 0.620 41 A CB -0.597 18.426 19.000 0.039 0.000 0.822 41 A HN 0.533 nan 8.150 nan 0.000 0.443 42 E N -0.252 119.964 120.200 0.026 0.000 2.153 42 E HA -0.092 4.259 4.350 0.001 0.000 0.194 42 E C 2.109 178.723 176.600 0.023 0.000 0.988 42 E CA 0.835 57.249 56.400 0.023 0.000 0.811 42 E CB -0.267 29.446 29.700 0.021 0.000 0.746 42 E HN 0.631 nan 8.360 nan 0.000 0.466 43 A N 1.366 124.201 122.820 0.025 0.000 2.067 43 A HA -0.148 4.172 4.320 0.001 0.000 0.219 43 A C 1.764 179.362 177.584 0.023 0.000 1.158 43 A CA 0.866 52.919 52.037 0.027 0.000 0.661 43 A CB -0.108 18.911 19.000 0.032 0.000 0.801 43 A HN -0.021 nan 8.150 nan 0.000 0.452 44 K N 0.776 121.190 120.400 0.022 0.000 2.362 44 K HA -0.078 4.243 4.320 0.001 0.000 0.200 44 K C 1.784 178.389 176.600 0.007 0.000 1.046 44 K CA 1.326 57.623 56.287 0.017 0.000 0.952 44 K CB -0.342 32.170 32.500 0.021 0.000 0.753 44 K HN 0.666 nan 8.250 nan 0.000 0.466 45 S N 0.310 116.015 115.700 0.009 0.000 2.650 45 S HA -0.024 4.446 4.470 0.001 0.000 0.219 45 S C 0.829 175.426 174.600 -0.004 0.000 0.960 45 S CA -0.241 57.961 58.200 0.002 0.000 0.925 45 S CB -0.532 62.672 63.200 0.008 0.000 0.775 45 S HN 0.270 nan 8.310 nan 0.000 0.525 46 T N -2.179 112.372 114.554 -0.004 0.000 2.895 46 T HA 0.457 4.808 4.350 0.001 0.000 0.283 46 T C 0.951 175.613 174.700 -0.063 0.000 1.014 46 T CA -0.458 61.637 62.100 -0.009 0.000 1.037 46 T CB 1.438 70.323 68.868 0.028 0.000 1.006 46 T HN 0.011 nan 8.240 nan 0.000 0.468 47 T N 0.782 115.257 114.554 -0.131 0.000 2.777 47 T HA 0.012 4.363 4.350 0.001 0.000 0.266 47 T C -0.186 174.206 174.700 -0.514 0.000 1.040 47 T CA 1.326 63.208 62.100 -0.364 0.000 1.141 47 T CB -0.455 68.089 68.868 -0.540 0.000 0.868 47 T HN 0.715 nan 8.240 nan 0.000 0.444 48 Y N 1.896 122.203 120.300 0.011 0.000 2.721 48 Y HA 0.428 4.979 4.550 0.001 0.000 0.328 48 Y C 0.194 176.102 175.900 0.012 0.000 1.003 48 Y CA -1.358 56.748 58.100 0.010 0.000 1.275 48 Y CB 0.233 38.698 38.460 0.008 0.000 1.097 48 Y HN -0.070 nan 8.280 nan 0.000 0.514 49 N N 2.753 121.514 118.700 0.101 0.000 2.521 49 N HA 0.281 5.022 4.740 0.001 0.000 0.236 49 N C -0.071 175.485 175.510 0.076 0.000 1.067 49 N CA -0.073 53.020 53.050 0.071 0.000 0.939 49 N CB 1.120 39.631 38.487 0.040 0.000 1.201 49 N HN 0.702 nan 8.380 nan 0.000 0.511 50 A N 2.530 125.395 122.820 0.075 0.000 2.684 50 A HA 0.116 4.436 4.320 0.001 0.000 0.288 50 A C 1.292 178.903 177.584 0.045 0.000 1.337 50 A CA -0.034 52.039 52.037 0.060 0.000 0.946 50 A CB -0.493 18.540 19.000 0.054 0.000 1.093 50 A HN 0.629 nan 8.150 nan 0.000 0.543 51 T N -2.821 111.760 114.554 0.045 0.000 3.010 51 T HA 0.356 4.707 4.350 0.001 0.000 0.257 51 T C 0.428 175.154 174.700 0.043 0.000 1.020 51 T CA -0.048 62.075 62.100 0.038 0.000 0.938 51 T CB -0.455 68.434 68.868 0.034 0.000 1.049 51 T HN 0.263 nan 8.240 nan 0.000 0.522 52 I N 2.403 123.004 120.570 0.051 0.000 2.416 52 I HA 0.388 4.559 4.170 0.001 0.000 0.288 52 I C 1.288 177.448 176.117 0.072 0.000 1.051 52 I CA -0.682 60.656 61.300 0.064 0.000 1.375 52 I CB 1.023 39.063 38.000 0.067 0.000 1.407 52 I HN 0.259 nan 8.210 nan 0.000 0.516 53 G N 7.458 116.314 108.800 0.093 0.000 3.452 53 G HA2 0.405 4.366 3.960 0.001 0.000 0.258 53 G HA3 0.405 4.366 3.960 0.001 0.000 0.258 53 G C 0.114 175.099 174.900 0.142 0.000 1.305 53 G CA -0.151 45.014 45.100 0.108 0.000 1.514 53 G HN 0.512 nan 8.290 nan 0.000 0.593 54 M N -0.318 119.342 119.600 0.101 0.000 2.575 54 M HA 0.538 5.019 4.480 0.001 0.000 0.284 54 M C -0.570 175.756 176.300 0.042 0.000 1.253 54 M CA -0.862 54.479 55.300 0.069 0.000 0.861 54 M CB 2.566 35.203 32.600 0.063 0.000 1.733 54 M HN 0.035 nan 8.290 nan 0.000 0.462 55 A N 1.725 124.558 122.820 0.021 0.000 2.302 55 A HA 0.654 4.974 4.320 0.001 0.000 0.295 55 A C -0.066 177.524 177.584 0.009 0.000 1.235 55 A CA -0.192 51.850 52.037 0.008 0.000 0.876 55 A CB -0.194 18.800 19.000 -0.011 0.000 1.133 55 A HN 0.789 nan 8.150 nan 0.000 0.533 56 T N 0.269 114.832 114.554 0.015 0.000 2.887 56 T HA 0.778 5.128 4.350 0.001 0.000 0.292 56 T C -0.446 174.259 174.700 0.008 0.000 1.087 56 T CA -0.583 61.529 62.100 0.020 0.000 1.009 56 T CB 1.718 70.608 68.868 0.036 0.000 1.203 56 T HN 0.882 nan 8.240 nan 0.000 0.518 57 N N -0.561 118.144 118.700 0.008 0.000 3.387 57 N HA 0.311 5.052 4.740 0.001 0.000 0.322 57 N C 0.783 176.302 175.510 0.014 0.000 1.588 57 N CA -0.689 52.363 53.050 0.004 0.000 0.778 57 N CB 0.577 39.051 38.487 -0.022 0.000 1.883 57 N HN 0.809 nan 8.380 nan 0.000 0.628 58 K N -1.393 119.013 120.400 0.011 0.000 2.211 58 K HA -0.148 4.172 4.320 0.001 0.000 0.204 58 K C -0.537 176.072 176.600 0.015 0.000 1.047 58 K CA 2.145 58.440 56.287 0.013 0.000 0.935 58 K CB -0.567 31.940 32.500 0.011 0.000 0.728 58 K HN 0.680 nan 8.250 nan 0.000 0.452 59 D N -0.961 119.451 120.400 0.020 0.000 2.535 59 D HA 0.314 4.954 4.640 0.001 0.000 0.229 59 D C 0.577 176.914 176.300 0.062 0.000 1.238 59 D CA -0.063 53.958 54.000 0.035 0.000 0.824 59 D CB 1.220 42.041 40.800 0.034 0.000 1.045 59 D HN 0.384 nan 8.370 nan 0.000 0.500 60 G N -0.509 108.328 108.800 0.061 0.000 2.291 60 G HA2 0.069 4.029 3.960 0.001 0.000 0.249 60 G HA3 0.069 4.029 3.960 0.001 0.000 0.249 60 G C -1.415 173.541 174.900 0.093 0.000 1.340 60 G CA -1.160 43.992 45.100 0.087 0.000 1.017 60 G HN 0.062 nan 8.290 nan 0.000 0.470 61 K N 0.458 120.941 120.400 0.138 0.000 2.237 61 K HA 0.648 4.969 4.320 0.001 0.000 0.270 61 K C 0.752 177.442 176.600 0.150 0.000 1.015 61 K CA 0.066 56.429 56.287 0.127 0.000 0.949 61 K CB 0.540 33.114 32.500 0.123 0.000 0.976 61 K HN 0.474 nan 8.250 nan 0.000 0.472 62 M N 3.847 123.457 119.600 0.017 0.000 2.217 62 M HA 0.354 4.834 4.480 0.001 0.000 0.354 62 M C -0.499 175.729 176.300 -0.119 0.000 1.225 62 M CA -0.001 55.222 55.300 -0.127 0.000 1.137 62 M CB 0.138 32.669 32.600 -0.115 0.000 1.576 62 M HN 0.549 nan 8.290 nan 0.000 0.461 63 F N 0.017 119.761 119.950 -0.344 0.000 2.741 63 F HA 0.831 5.358 4.527 0.001 0.000 0.313 63 F C -1.336 174.248 175.800 -0.359 0.000 1.153 63 F CA -1.718 55.932 58.000 -0.583 0.000 0.931 63 F CB 0.828 39.016 39.000 -1.353 0.000 1.335 63 F HN 0.509 nan 8.300 nan 0.000 0.460 64 A N 0.837 123.603 122.820 -0.091 0.000 2.309 64 A HA 0.608 4.928 4.320 0.001 0.000 0.290 64 A C 1.128 178.821 177.584 0.182 0.000 1.206 64 A CA 0.086 52.117 52.037 -0.010 0.000 0.850 64 A CB 0.030 19.056 19.000 0.043 0.000 1.118 64 A HN 1.501 nan 8.150 nan 0.000 0.523 65 S N 2.243 117.997 115.700 0.090 0.000 2.402 65 S HA -0.064 4.407 4.470 0.001 0.000 0.233 65 S C 2.180 176.907 174.600 0.212 0.000 1.030 65 S CA 2.548 60.881 58.200 0.221 0.000 1.003 65 S CB -0.577 62.675 63.200 0.087 0.000 0.813 65 S HN 1.382 nan 8.310 nan 0.000 0.477 66 S N 0.622 116.406 115.700 0.140 0.000 2.382 66 S HA 0.172 4.642 4.470 0.001 0.000 0.228 66 S C 1.978 176.667 174.600 0.148 0.000 1.027 66 S CA 1.310 59.577 58.200 0.112 0.000 0.991 66 S CB -0.355 62.886 63.200 0.068 0.000 0.823 66 S HN 0.521 nan 8.310 nan 0.000 0.469 67 L N 0.423 121.789 121.223 0.238 0.000 2.044 67 L HA -0.100 4.240 4.340 0.001 0.000 0.205 67 L C 2.429 179.563 176.870 0.440 0.000 1.075 67 L CA 1.478 56.512 54.840 0.324 0.000 0.747 67 L CB -0.378 41.966 42.059 0.475 0.000 0.903 67 L HN 0.414 nan 8.230 nan 0.000 0.435 68 D N 0.106 120.856 120.400 0.584 0.000 2.182 68 D HA -0.205 4.436 4.640 0.001 0.000 0.201 68 D C 2.047 178.540 176.300 0.321 0.000 0.986 68 D CA 1.256 55.561 54.000 0.509 0.000 0.847 68 D CB 0.187 41.241 40.800 0.423 0.000 0.942 68 D HN 0.274 nan 8.370 nan 0.000 0.467 69 A N -0.226 122.722 122.820 0.214 0.000 2.125 69 A HA -0.090 4.231 4.320 0.001 0.000 0.219 69 A C 2.094 179.677 177.584 -0.002 0.000 1.156 69 A CA 0.966 53.065 52.037 0.103 0.000 0.671 69 A CB -0.603 18.444 19.000 0.078 0.000 0.794 69 A HN 0.354 nan 8.150 nan 0.000 0.459 70 M N -1.345 118.192 119.600 -0.105 0.000 2.618 70 M HA 0.189 4.670 4.480 0.001 0.000 0.240 70 M C -0.799 175.079 176.300 -0.703 0.000 1.123 70 M CA 0.402 55.457 55.300 -0.409 0.000 1.060 70 M CB -0.002 32.271 32.600 -0.545 0.000 1.535 70 M HN 0.341 nan 8.290 nan 0.000 0.507 71 F N -0.191 119.725 119.950 -0.058 0.000 2.561 71 F HA 0.465 4.992 4.527 0.001 0.000 0.321 71 F C 0.072 175.829 175.800 -0.071 0.000 1.065 71 F CA -1.217 56.727 58.000 -0.092 0.000 0.934 71 F CB 1.075 39.980 39.000 -0.158 0.000 1.215 71 F HN -0.101 nan 8.300 nan 0.000 0.471 72 N N 0.548 119.315 118.700 0.112 0.000 2.312 72 N HA 0.276 5.017 4.740 0.001 0.000 0.296 72 N C -0.660 174.838 175.510 -0.019 0.000 1.193 72 N CA -0.509 52.563 53.050 0.038 0.000 0.773 72 N CB 1.839 40.336 38.487 0.017 0.000 1.435 72 N HN 0.622 nan 8.380 nan 0.000 0.484 73 D N -0.459 119.920 120.400 -0.034 0.000 2.880 73 D HA -0.178 4.463 4.640 0.001 0.000 0.198 73 D C -0.334 175.852 176.300 -0.190 0.000 1.059 73 D CA 1.247 55.195 54.000 -0.086 0.000 1.019 73 D CB -0.837 39.889 40.800 -0.124 0.000 1.112 73 D HN 0.418 nan 8.370 nan 0.000 0.424 74 L N 1.169 122.281 121.223 -0.185 0.000 2.317 74 L HA 0.404 4.745 4.340 0.001 0.000 0.281 74 L C 1.236 178.033 176.870 -0.122 0.000 1.024 74 L CA -0.621 54.093 54.840 -0.211 0.000 0.810 74 L CB 1.761 43.633 42.059 -0.312 0.000 1.240 74 L HN -0.047 nan 8.230 nan 0.000 0.427 75 T N -0.978 113.529 114.554 -0.077 0.000 2.828 75 T HA 0.216 4.566 4.350 0.001 0.000 0.290 75 T C -1.906 172.712 174.700 -0.136 0.000 1.019 75 T CA -1.573 60.490 62.100 -0.062 0.000 1.031 75 T CB 1.080 69.939 68.868 -0.015 0.000 1.001 75 T HN 0.331 nan 8.240 nan 0.000 0.531 76 P HA -0.092 nan 4.420 nan 0.000 0.216 76 P C 1.086 178.330 177.300 -0.093 0.000 1.150 76 P CA 1.036 64.015 63.100 -0.201 0.000 0.843 76 P CB -0.044 31.454 31.700 -0.336 0.000 0.787 77 D N -0.713 119.656 120.400 -0.053 0.000 2.351 77 D HA -0.119 4.522 4.640 0.001 0.000 0.216 77 D C 1.337 177.591 176.300 -0.077 0.000 0.968 77 D CA 0.878 54.859 54.000 -0.032 0.000 0.899 77 D CB -0.233 40.567 40.800 0.000 0.000 0.907 77 D HN 0.392 nan 8.370 nan 0.000 0.514 78 E N -0.745 119.376 120.200 -0.133 0.000 2.474 78 E HA 0.144 4.495 4.350 0.001 0.000 0.195 78 E C 1.491 177.886 176.600 -0.341 0.000 1.039 78 E CA -0.043 56.254 56.400 -0.172 0.000 0.881 78 E CB 0.798 30.427 29.700 -0.119 0.000 0.970 78 E HN 0.292 nan 8.360 nan 0.000 0.486 79 I N -1.418 118.871 120.570 -0.468 0.000 3.570 79 I HA 0.012 4.182 4.170 0.001 0.000 0.270 79 I C 1.141 176.790 176.117 -0.779 0.000 1.162 79 I CA 0.241 61.024 61.300 -0.862 0.000 1.413 79 I CB 0.240 37.430 38.000 -1.350 0.000 1.437 79 I HN 0.002 nan 8.210 nan 0.000 0.457 80 F N 1.151 120.917 119.950 -0.306 0.000 2.374 80 F HA 0.204 4.732 4.527 0.001 0.000 0.291 80 F C -1.200 174.470 175.800 -0.218 0.000 1.084 80 F CA -0.309 57.552 58.000 -0.232 0.000 1.413 80 F CB -1.551 37.335 39.000 -0.190 0.000 1.099 80 F HN -0.019 nan 8.300 nan 0.000 0.534 81 P HA -0.068 nan 4.420 nan 0.000 0.274 81 P C -1.066 176.156 177.300 -0.131 0.000 1.260 81 P CA -0.116 62.939 63.100 -0.075 0.000 0.793 81 P CB 0.235 31.938 31.700 0.004 0.000 1.048 82 Y N -0.590 119.716 120.300 0.011 0.000 2.425 82 Y HA 0.350 4.901 4.550 0.001 0.000 0.331 82 Y C 1.182 177.074 175.900 -0.014 0.000 1.157 82 Y CA -0.162 57.936 58.100 -0.003 0.000 1.372 82 Y CB -0.272 38.195 38.460 0.011 0.000 1.253 82 Y HN 0.302 nan 8.280 nan 0.000 0.536 83 A N 5.851 128.758 122.820 0.145 0.000 2.351 83 A HA 0.478 4.799 4.320 0.001 0.000 0.257 83 A C -2.351 175.281 177.584 0.081 0.000 1.087 83 A CA -1.575 50.505 52.037 0.072 0.000 0.798 83 A CB -0.306 18.705 19.000 0.018 0.000 1.033 83 A HN 0.515 nan 8.150 nan 0.000 0.488 84 P HA 0.119 nan 4.420 nan 0.000 0.270 84 P C -1.856 175.446 177.300 0.002 0.000 1.223 84 P CA -1.100 62.016 63.100 0.027 0.000 0.785 84 P CB 0.049 31.757 31.700 0.013 0.000 0.923 85 P HA -0.199 nan 4.420 nan 0.000 0.218 85 P C 1.137 178.403 177.300 -0.056 0.000 1.148 85 P CA 1.604 64.689 63.100 -0.025 0.000 0.822 85 P CB -0.165 31.527 31.700 -0.014 0.000 0.784 86 Q N 0.158 119.907 119.800 -0.085 0.000 2.444 86 Q HA 0.184 4.525 4.340 0.001 0.000 0.206 86 Q C 0.794 176.769 176.000 -0.042 0.000 0.948 86 Q CA 1.042 56.801 55.803 -0.075 0.000 0.946 86 Q CB -0.486 28.198 28.738 -0.090 0.000 1.027 86 Q HN 0.169 nan 8.270 nan 0.000 0.513 87 G N 1.318 110.097 108.800 -0.035 0.000 2.662 87 G HA2 -0.125 3.836 3.960 0.001 0.000 0.686 87 G HA3 -0.125 3.836 3.960 0.001 0.000 0.686 87 G C -0.706 174.198 174.900 0.006 0.000 1.271 87 G CA -0.453 44.631 45.100 -0.027 0.000 0.816 87 G HN 0.174 nan 8.290 nan 0.000 0.608 88 I N 1.740 122.319 120.570 0.015 0.000 2.668 88 I HA 0.010 4.181 4.170 0.001 0.000 0.285 88 I C 1.836 177.983 176.117 0.049 0.000 1.168 88 I CA 0.314 61.633 61.300 0.030 0.000 1.424 88 I CB 0.962 38.980 38.000 0.030 0.000 1.377 88 I HN 0.678 nan 8.210 nan 0.000 0.560 89 E N 4.590 124.815 120.200 0.040 0.000 2.085 89 E HA -0.245 4.105 4.350 0.001 0.000 0.194 89 E C 1.669 178.302 176.600 0.053 0.000 0.994 89 E CA 1.193 57.620 56.400 0.045 0.000 0.801 89 E CB 0.128 29.848 29.700 0.033 0.000 0.743 89 E HN 0.640 nan 8.360 nan 0.000 0.453 90 E N 0.412 120.640 120.200 0.045 0.000 2.110 90 E HA -0.187 4.163 4.350 0.001 0.000 0.193 90 E C 2.133 178.775 176.600 0.071 0.000 0.988 90 E CA 0.627 57.053 56.400 0.042 0.000 0.804 90 E CB -0.039 29.674 29.700 0.021 0.000 0.745 90 E HN 0.064 nan 8.360 nan 0.000 0.458 91 L N 1.264 122.547 121.223 0.101 0.000 2.046 91 L HA -0.139 4.201 4.340 0.001 0.000 0.208 91 L C 2.138 179.131 176.870 0.205 0.000 1.077 91 L CA 1.685 56.627 54.840 0.170 0.000 0.747 91 L CB -0.346 41.829 42.059 0.193 0.000 0.896 91 L HN 0.013 nan 8.230 nan 0.000 0.432 92 R N -0.330 120.278 120.500 0.180 0.000 2.083 92 R HA -0.176 4.165 4.340 0.001 0.000 0.237 92 R C 1.939 178.299 176.300 0.099 0.000 1.137 92 R CA 1.645 57.843 56.100 0.163 0.000 0.951 92 R CB -0.676 29.698 30.300 0.124 0.000 0.851 92 R HN 0.431 nan 8.270 nan 0.000 0.434 93 D N 0.761 121.206 120.400 0.075 0.000 2.084 93 D HA -0.132 4.509 4.640 0.001 0.000 0.194 93 D C 2.007 178.326 176.300 0.031 0.000 0.990 93 D CA 1.123 55.150 54.000 0.044 0.000 0.826 93 D CB -0.245 40.575 40.800 0.033 0.000 0.971 93 D HN 0.144 nan 8.370 nan 0.000 0.453 94 L N -0.287 120.968 121.223 0.053 0.000 2.131 94 L HA -0.123 4.218 4.340 0.001 0.000 0.210 94 L C 2.468 179.351 176.870 0.021 0.000 1.092 94 L CA 0.754 55.620 54.840 0.044 0.000 0.759 94 L CB -0.177 41.929 42.059 0.079 0.000 0.903 94 L HN 0.256 nan 8.230 nan 0.000 0.435 95 W N 0.850 122.023 121.300 -0.212 0.000 2.418 95 W HA -0.181 4.479 4.660 0.001 0.000 0.292 95 W C 2.399 178.718 176.519 -0.333 0.000 1.213 95 W CA 1.441 58.530 57.345 -0.427 0.000 1.283 95 W CB -0.012 28.810 29.460 -1.064 0.000 1.119 95 W HN 0.295 nan 8.180 nan 0.000 0.542 96 Q N 0.559 120.299 119.800 -0.100 0.000 2.084 96 Q HA -0.279 4.061 4.340 0.001 0.000 0.202 96 Q C 2.273 178.183 176.000 -0.150 0.000 0.978 96 Q CA 2.067 57.801 55.803 -0.116 0.000 0.844 96 Q CB -0.293 28.430 28.738 -0.026 0.000 0.898 96 Q HN 0.383 nan 8.270 nan 0.000 0.426 97 Q N 0.319 120.049 119.800 -0.117 0.000 2.061 97 Q HA -0.228 4.112 4.340 0.001 0.000 0.204 97 Q C 2.078 177.977 176.000 -0.168 0.000 0.984 97 Q CA 1.821 57.560 55.803 -0.106 0.000 0.846 97 Q CB -0.184 28.516 28.738 -0.064 0.000 0.902 97 Q HN 0.245 nan 8.270 nan 0.000 0.421 98 K N 0.629 120.867 120.400 -0.271 0.000 2.032 98 K HA -0.183 4.138 4.320 0.001 0.000 0.209 98 K C 2.081 178.453 176.600 -0.380 0.000 1.048 98 K CA 1.489 57.562 56.287 -0.356 0.000 0.927 98 K CB -0.072 32.070 32.500 -0.596 0.000 0.712 98 K HN 0.187 nan 8.250 nan 0.000 0.441 99 M N 0.743 120.054 119.600 -0.483 0.000 2.108 99 M HA -0.198 4.282 4.480 0.001 0.000 0.261 99 M C 2.234 178.423 176.300 -0.186 0.000 1.066 99 M CA 1.565 56.649 55.300 -0.361 0.000 1.107 99 M CB -0.317 32.086 32.600 -0.328 0.000 1.356 99 M HN 0.206 nan 8.290 nan 0.000 0.406 100 L N -0.798 120.340 121.223 -0.141 0.000 2.093 100 L HA -0.205 4.135 4.340 0.001 0.000 0.208 100 L C 2.684 179.516 176.870 -0.064 0.000 1.085 100 L CA 1.194 55.991 54.840 -0.073 0.000 0.755 100 L CB -0.638 41.390 42.059 -0.052 0.000 0.904 100 L HN 0.314 nan 8.230 nan 0.000 0.435 101 R N 0.232 120.684 120.500 -0.081 0.000 2.081 101 R HA -0.175 4.165 4.340 0.001 0.000 0.235 101 R C 1.700 177.976 176.300 -0.040 0.000 1.131 101 R CA 1.869 57.935 56.100 -0.056 0.000 0.960 101 R CB -0.098 30.165 30.300 -0.061 0.000 0.856 101 R HN 0.300 nan 8.270 nan 0.000 0.436 102 D N 0.103 120.475 120.400 -0.046 0.000 2.269 102 D HA -0.045 4.595 4.640 0.001 0.000 0.208 102 D C -0.048 176.263 176.300 0.019 0.000 0.963 102 D CA 0.937 54.952 54.000 0.024 0.000 0.864 102 D CB 0.035 40.888 40.800 0.088 0.000 0.936 102 D HN 0.232 nan 8.370 nan 0.000 0.505 103 N N 0.749 119.433 118.700 -0.027 0.000 2.841 103 N HA 0.133 4.874 4.740 0.001 0.000 0.257 103 N C -2.144 173.354 175.510 -0.021 0.000 1.396 103 N CA -1.050 51.983 53.050 -0.028 0.000 0.823 103 N CB 2.217 40.690 38.487 -0.023 0.000 1.162 103 N HN -0.075 nan 8.380 nan 0.000 0.503 104 P HA -0.118 nan 4.420 nan 0.000 0.219 104 P C 0.718 178.019 177.300 0.002 0.000 1.146 104 P CA 1.350 64.443 63.100 -0.012 0.000 0.808 104 P CB 0.441 32.133 31.700 -0.015 0.000 0.779 105 E N -1.452 118.752 120.200 0.007 0.000 2.489 105 E HA 0.037 4.388 4.350 0.001 0.000 0.193 105 E C 0.317 176.932 176.600 0.024 0.000 1.057 105 E CA -0.290 56.125 56.400 0.024 0.000 0.866 105 E CB -0.074 29.652 29.700 0.043 0.000 0.916 105 E HN 0.145 nan 8.360 nan 0.000 0.500 106 L N 1.065 122.300 121.223 0.020 0.000 2.326 106 L HA 0.212 4.553 4.340 0.001 0.000 0.278 106 L C -0.295 176.596 176.870 0.034 0.000 1.092 106 L CA -0.058 54.800 54.840 0.030 0.000 0.810 106 L CB 1.694 43.787 42.059 0.056 0.000 1.153 106 L HN -0.244 nan 8.230 nan 0.000 0.439 107 S N 4.398 120.125 115.700 0.044 0.000 2.475 107 S HA 0.321 4.792 4.470 0.001 0.000 0.298 107 S C 1.237 175.872 174.600 0.059 0.000 1.119 107 S CA -0.680 57.548 58.200 0.048 0.000 1.085 107 S CB 0.663 63.898 63.200 0.058 0.000 1.028 107 S HN 0.780 nan 8.310 nan 0.000 0.489 108 I N 3.071 123.670 120.570 0.048 0.000 2.335 108 I HA -0.173 3.998 4.170 0.001 0.000 0.251 108 I C 0.970 177.127 176.117 0.066 0.000 1.129 108 I CA 1.640 62.973 61.300 0.054 0.000 1.402 108 I CB 0.014 38.036 38.000 0.036 0.000 1.069 108 I HN 0.681 nan 8.210 nan 0.000 0.424 109 D N 0.834 121.271 120.400 0.061 0.000 2.310 109 D HA -0.104 4.536 4.640 0.001 0.000 0.212 109 D C 1.129 177.480 176.300 0.084 0.000 0.965 109 D CA 0.773 54.812 54.000 0.065 0.000 0.879 109 D CB -0.304 40.527 40.800 0.053 0.000 0.921 109 D HN 0.433 nan 8.370 nan 0.000 0.510 110 N N 0.137 118.893 118.700 0.093 0.000 2.268 110 N HA 0.112 4.852 4.740 0.001 0.000 0.204 110 N C 0.284 175.859 175.510 0.107 0.000 1.124 110 N CA 0.075 53.182 53.050 0.096 0.000 0.838 110 N CB 0.479 39.013 38.487 0.079 0.000 0.994 110 N HN 0.389 nan 8.380 nan 0.000 0.489 111 M N -2.024 117.667 119.600 0.153 0.000 2.575 111 M HA 0.531 5.012 4.480 0.001 0.000 0.284 111 M C -0.159 176.261 176.300 0.201 0.000 1.253 111 M CA -0.966 54.477 55.300 0.238 0.000 0.861 111 M CB 1.909 34.699 32.600 0.318 0.000 1.733 111 M HN -0.131 nan 8.290 nan 0.000 0.462 112 S N 0.345 116.195 115.700 0.250 0.000 2.624 112 S HA 0.491 4.962 4.470 0.001 0.000 0.263 112 S C -0.137 174.556 174.600 0.154 0.000 1.287 112 S CA -0.798 57.533 58.200 0.218 0.000 0.990 112 S CB 0.535 63.941 63.200 0.343 0.000 0.950 112 S HN 0.786 nan 8.310 nan 0.000 0.561 113 R N 1.635 122.211 120.500 0.126 0.000 2.347 113 R HA 0.293 4.634 4.340 0.001 0.000 0.304 113 R C -2.440 173.918 176.300 0.096 0.000 1.072 113 R CA -1.670 54.486 56.100 0.094 0.000 0.980 113 R CB -0.070 30.277 30.300 0.079 0.000 0.986 113 R HN 0.503 nan 8.270 nan 0.000 0.448 114 P HA -0.054 nan 4.420 nan 0.000 0.262 114 P C -0.368 177.018 177.300 0.143 0.000 1.182 114 P CA 0.618 63.775 63.100 0.094 0.000 0.761 114 P CB 0.437 32.208 31.700 0.119 0.000 0.795 115 I N 3.012 123.634 120.570 0.087 0.000 2.353 115 I HA 0.151 4.322 4.170 0.001 0.000 0.293 115 I C 0.349 176.448 176.117 -0.031 0.000 0.992 115 I CA -1.063 60.261 61.300 0.040 0.000 1.268 115 I CB 1.426 39.430 38.000 0.005 0.000 1.387 115 I HN 0.026 nan 8.210 nan 0.000 0.478 116 V N 5.141 124.994 119.914 -0.102 0.000 2.572 116 V HA 0.222 4.342 4.120 0.001 0.000 0.291 116 V C 0.612 176.531 176.094 -0.292 0.000 1.039 116 V CA -0.120 61.953 62.300 -0.378 0.000 1.055 116 V CB 0.837 32.463 31.823 -0.327 0.000 0.969 116 V HN 0.921 nan 8.190 nan 0.000 0.482 117 T N 0.627 114.958 114.554 -0.373 0.000 2.926 117 T HA 0.314 4.664 4.350 0.001 0.000 0.289 117 T C 0.185 174.844 174.700 -0.069 0.000 1.054 117 T CA -0.862 61.160 62.100 -0.131 0.000 1.015 117 T CB 1.405 70.146 68.868 -0.212 0.000 1.167 117 T HN 0.499 nan 8.240 nan 0.000 0.526 118 N N 1.424 120.250 118.700 0.210 0.000 3.027 118 N HA 0.289 5.029 4.740 0.001 0.000 0.309 118 N C 0.719 176.216 175.510 -0.022 0.000 1.222 118 N CA 0.876 53.913 53.050 -0.021 0.000 1.187 118 N CB -1.298 37.071 38.487 -0.197 0.000 1.458 118 N HN 1.077 nan 8.380 nan 0.000 0.535 119 A N 0.615 123.365 122.820 -0.117 0.000 6.507 119 A HA -0.281 4.039 4.320 0.001 0.000 0.242 119 A C 0.957 178.492 177.584 -0.082 0.000 2.201 119 A CA 0.328 52.283 52.037 -0.135 0.000 0.699 119 A CB -1.132 17.818 19.000 -0.083 0.000 0.971 119 A HN 0.385 nan 8.150 nan 0.000 0.369 120 L N -0.749 120.424 121.223 -0.084 0.000 2.156 120 L HA -0.030 4.311 4.340 0.001 0.000 0.208 120 L C 2.786 179.690 176.870 0.056 0.000 1.095 120 L CA 2.740 57.552 54.840 -0.046 0.000 0.770 120 L CB -0.779 41.225 42.059 -0.091 0.000 0.914 120 L HN 0.901 nan 8.230 nan 0.000 0.439 121 T N -2.079 112.536 114.554 0.102 0.000 2.720 121 T HA -0.277 4.074 4.350 0.001 0.000 0.268 121 T C 1.868 176.654 174.700 0.144 0.000 1.037 121 T CA 1.650 63.858 62.100 0.181 0.000 1.144 121 T CB -0.430 68.560 68.868 0.204 0.000 0.864 121 T HN 0.486 nan 8.240 nan 0.000 0.444 122 H N 0.296 119.363 119.070 -0.006 0.000 2.353 122 H HA -0.080 4.477 4.556 0.001 0.000 0.300 122 H C 2.537 177.854 175.328 -0.019 0.000 1.090 122 H CA 1.064 57.093 56.048 -0.030 0.000 1.327 122 H CB -0.395 29.330 29.762 -0.062 0.000 1.383 122 H HN 0.422 nan 8.280 nan 0.000 0.508 123 G N 1.024 109.794 108.800 -0.051 0.000 2.446 123 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 123 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 123 G C 1.834 176.751 174.900 0.029 0.000 1.168 123 G CA 0.909 45.960 45.100 -0.083 0.000 0.771 123 G HN 0.316 nan 8.290 nan 0.000 0.551 124 L N 0.434 121.721 121.223 0.108 0.000 2.017 124 L HA -0.089 4.252 4.340 0.001 0.000 0.208 124 L C 3.111 180.017 176.870 0.060 0.000 1.073 124 L CA 1.335 56.291 54.840 0.193 0.000 0.745 124 L CB -0.528 41.676 42.059 0.242 0.000 0.894 124 L HN 0.343 nan 8.230 nan 0.000 0.432 125 S N 0.073 115.765 115.700 -0.014 0.000 2.370 125 S HA -0.173 4.298 4.470 0.001 0.000 0.226 125 S C 2.002 176.615 174.600 0.021 0.000 1.033 125 S CA 1.335 59.516 58.200 -0.030 0.000 1.011 125 S CB -0.234 62.996 63.200 0.050 0.000 0.852 125 S HN 0.286 nan 8.310 nan 0.000 0.457 126 L N 0.781 121.999 121.223 -0.008 0.000 2.056 126 L HA -0.056 4.284 4.340 0.001 0.000 0.207 126 L C 2.470 179.402 176.870 0.103 0.000 1.078 126 L CA 0.866 55.697 54.840 -0.017 0.000 0.749 126 L CB -0.574 41.402 42.059 -0.139 0.000 0.901 126 L HN 0.209 nan 8.230 nan 0.000 0.433 127 V N 0.271 120.310 119.914 0.208 0.000 2.287 127 V HA -0.257 3.863 4.120 0.001 0.000 0.248 127 V C 2.638 178.969 176.094 0.395 0.000 1.053 127 V CA 2.116 64.653 62.300 0.396 0.000 1.027 127 V CB -1.372 30.701 31.823 0.417 0.000 0.646 127 V HN 0.586 nan 8.190 nan 0.000 0.447 128 G N -0.403 108.624 108.800 0.379 0.000 2.440 128 G HA2 -0.273 3.687 3.960 0.001 0.000 0.218 128 G HA3 -0.273 3.687 3.960 0.001 0.000 0.218 128 G C 1.264 176.262 174.900 0.164 0.000 1.154 128 G CA 1.117 46.415 45.100 0.331 0.000 0.767 128 G HN 0.505 nan 8.290 nan 0.000 0.552 129 D N -0.043 120.407 120.400 0.083 0.000 2.097 129 D HA -0.074 4.566 4.640 0.001 0.000 0.195 129 D C 2.355 178.629 176.300 -0.043 0.000 0.989 129 D CA 0.663 54.673 54.000 0.017 0.000 0.827 129 D CB -0.243 40.553 40.800 -0.005 0.000 0.966 129 D HN 0.244 nan 8.370 nan 0.000 0.456 130 L N -1.087 120.068 121.223 -0.114 0.000 2.162 130 L HA 0.056 4.397 4.340 0.001 0.000 0.205 130 L C 1.179 177.709 176.870 -0.567 0.000 1.086 130 L CA 1.426 56.016 54.840 -0.416 0.000 0.778 130 L CB -0.034 41.650 42.059 -0.625 0.000 0.928 130 L HN -0.106 nan 8.230 nan 0.000 0.446 131 F N -2.308 117.682 119.950 0.067 0.000 2.817 131 F HA 0.338 4.865 4.527 0.000 0.000 0.333 131 F C 0.257 176.082 175.800 0.040 0.000 1.085 131 F CA -0.533 57.492 58.000 0.041 0.000 1.170 131 F CB 0.207 39.243 39.000 0.059 0.000 1.066 131 F HN -0.394 nan 8.300 nan 0.000 0.564 132 V N 2.106 122.150 119.914 0.217 0.000 2.328 132 V HA 0.317 4.437 4.120 0.001 0.000 0.278 132 V C -0.213 175.951 176.094 0.116 0.000 1.021 132 V CA -0.947 61.457 62.300 0.173 0.000 0.838 132 V CB 0.727 32.696 31.823 0.243 0.000 0.999 132 V HN 0.076 nan 8.190 nan 0.000 0.447 133 N N 2.778 121.529 118.700 0.085 0.000 2.493 133 N HA 0.212 4.952 4.740 0.001 0.000 0.275 133 N C 0.038 175.587 175.510 0.064 0.000 1.186 133 N CA -0.406 52.679 53.050 0.059 0.000 0.978 133 N CB 1.058 39.569 38.487 0.040 0.000 1.184 133 N HN 0.736 nan 8.380 nan 0.000 0.487 134 Q N 0.384 120.215 119.800 0.052 0.000 2.310 134 Q HA -0.149 4.192 4.340 0.001 0.000 0.315 134 Q C -0.367 175.660 176.000 0.044 0.000 1.081 134 Q CA 0.818 56.649 55.803 0.048 0.000 0.981 134 Q CB 0.192 28.951 28.738 0.036 0.000 1.184 134 Q HN 0.612 nan 8.270 nan 0.000 0.389 135 D N 1.255 121.682 120.400 0.046 0.000 3.046 135 D HA -0.182 4.458 4.640 0.001 0.000 0.210 135 D C -0.994 175.333 176.300 0.045 0.000 1.124 135 D CA 1.261 55.285 54.000 0.040 0.000 0.986 135 D CB -0.461 40.356 40.800 0.028 0.000 1.118 135 D HN 0.632 nan 8.370 nan 0.000 0.416 136 D N -0.417 120.015 120.400 0.054 0.000 2.361 136 D HA 0.237 4.878 4.640 0.001 0.000 0.239 136 D C 0.259 176.595 176.300 0.060 0.000 1.200 136 D CA 0.625 54.661 54.000 0.059 0.000 0.915 136 D CB 0.638 41.474 40.800 0.059 0.000 1.170 136 D HN 0.004 nan 8.370 nan 0.000 0.444 137 T N 1.565 116.164 114.554 0.075 0.000 2.779 137 T HA 0.379 4.730 4.350 0.001 0.000 0.280 137 T C 0.019 174.725 174.700 0.011 0.000 0.987 137 T CA -0.665 61.485 62.100 0.083 0.000 0.966 137 T CB 0.757 69.742 68.868 0.194 0.000 0.933 137 T HN 0.088 nan 8.240 nan 0.000 0.442 138 I N 4.162 124.710 120.570 -0.037 0.000 2.315 138 I HA 0.326 4.497 4.170 0.001 0.000 0.291 138 I C -0.248 175.828 176.117 -0.067 0.000 1.006 138 I CA -0.956 60.258 61.300 -0.143 0.000 1.265 138 I CB 0.813 38.675 38.000 -0.231 0.000 1.387 138 I HN 0.423 nan 8.210 nan 0.000 0.475 139 L N 9.154 130.331 121.223 -0.076 0.000 2.265 139 L HA 0.653 4.993 4.340 0.001 0.000 0.289 139 L C -0.485 176.425 176.870 0.067 0.000 1.033 139 L CA -0.171 54.685 54.840 0.027 0.000 0.814 139 L CB 0.702 42.742 42.059 -0.032 0.000 1.203 139 L HN 0.566 nan 8.230 nan 0.000 0.423 140 L N 3.145 124.390 121.223 0.037 0.000 2.540 140 L HA 0.801 5.141 4.340 0.001 0.000 0.256 140 L C -2.819 173.699 176.870 -0.587 0.000 1.001 140 L CA -2.045 52.703 54.840 -0.152 0.000 0.843 140 L CB 1.896 43.848 42.059 -0.178 0.000 1.436 140 L HN 0.244 nan 8.230 nan 0.000 0.410 141 P HA 0.063 nan 4.420 nan 0.000 0.269 141 P C 0.031 177.145 177.300 -0.311 0.000 1.215 141 P CA -0.056 62.604 63.100 -0.733 0.000 0.780 141 P CB 0.509 32.046 31.700 -0.272 0.000 0.898 142 E N 1.172 121.228 120.200 -0.239 0.000 2.204 142 E HA -0.198 4.153 4.350 0.001 0.000 0.194 142 E C -0.319 176.163 176.600 -0.198 0.000 0.989 142 E CA 1.005 57.301 56.400 -0.172 0.000 0.824 142 E CB -0.565 29.039 29.700 -0.162 0.000 0.756 142 E HN 0.579 nan 8.360 nan 0.000 0.477 143 H N 1.640 120.700 119.070 -0.016 0.000 2.846 143 H HA 0.266 4.823 4.556 0.001 0.000 0.278 143 H C -0.505 174.854 175.328 0.051 0.000 1.117 143 H CA -0.039 56.017 56.048 0.013 0.000 1.406 143 H CB 0.384 30.187 29.762 0.069 0.000 1.445 143 H HN 0.351 nan 8.280 nan 0.000 0.469 144 N N 1.018 119.811 118.700 0.154 0.000 2.934 144 N HA 0.090 4.831 4.740 0.001 0.000 0.253 144 N C -1.809 173.832 175.510 0.217 0.000 1.466 144 N CA -1.150 52.045 53.050 0.241 0.000 0.858 144 N CB 0.643 39.313 38.487 0.304 0.000 1.459 144 N HN 0.335 nan 8.380 nan 0.000 0.532 145 W N 1.447 122.715 121.300 -0.054 0.000 2.356 145 W HA 0.532 5.193 4.660 0.001 0.000 0.311 145 W C 1.230 177.606 176.519 -0.238 0.000 1.328 145 W CA -0.139 57.041 57.345 -0.275 0.000 1.251 145 W CB 0.553 29.670 29.460 -0.572 0.000 1.280 145 W HN 0.812 nan 8.180 nan 0.000 0.524 146 G N 3.803 112.405 108.800 -0.330 0.000 2.462 146 G HA2 -0.390 3.570 3.960 0.001 0.000 0.220 146 G HA3 -0.390 3.570 3.960 0.001 0.000 0.220 146 G C 1.328 175.884 174.900 -0.574 0.000 1.121 146 G CA 1.072 45.961 45.100 -0.352 0.000 0.758 146 G HN 0.558 nan 8.290 nan 0.000 0.559 147 N N -0.502 117.449 118.700 -1.249 0.000 2.453 147 N HA -0.060 4.681 4.740 0.001 0.000 0.183 147 N C 1.648 176.757 175.510 -0.668 0.000 1.041 147 N CA 0.388 52.739 53.050 -1.165 0.000 0.900 147 N CB -0.215 37.130 38.487 -1.903 0.000 0.961 147 N HN 0.374 nan 8.380 nan 0.000 0.443 148 Y N 0.897 120.974 120.300 -0.371 0.000 2.151 148 Y HA -0.164 4.386 4.550 0.001 0.000 0.284 148 Y C 2.373 178.304 175.900 0.052 0.000 1.166 148 Y CA 1.067 59.187 58.100 0.033 0.000 1.163 148 Y CB -0.557 38.034 38.460 0.218 0.000 0.974 148 Y HN 0.106 nan 8.280 nan 0.000 0.511 149 K N -0.085 120.382 120.400 0.112 0.000 2.057 149 K HA -0.189 4.131 4.320 0.001 0.000 0.207 149 K C 2.082 178.679 176.600 -0.006 0.000 1.049 149 K CA 1.225 57.552 56.287 0.068 0.000 0.931 149 K CB -0.438 32.067 32.500 0.009 0.000 0.714 149 K HN 0.226 nan 8.250 nan 0.000 0.440 150 L N 0.673 121.830 121.223 -0.109 0.000 2.056 150 L HA -0.135 4.205 4.340 0.001 0.000 0.207 150 L C 2.012 178.796 176.870 -0.144 0.000 1.078 150 L CA 1.215 55.978 54.840 -0.128 0.000 0.749 150 L CB -0.183 41.767 42.059 -0.182 0.000 0.901 150 L HN -0.022 nan 8.230 nan 0.000 0.433 151 V N -1.011 118.767 119.914 -0.227 0.000 2.270 151 V HA -0.259 3.862 4.120 0.001 0.000 0.245 151 V C 2.121 177.994 176.094 -0.369 0.000 1.043 151 V CA 2.064 64.134 62.300 -0.384 0.000 1.014 151 V CB -0.619 30.807 31.823 -0.661 0.000 0.645 151 V HN 0.308 nan 8.190 nan 0.000 0.447 152 F N -0.184 119.789 119.950 0.039 0.000 2.374 152 F HA 0.096 4.623 4.527 0.001 0.000 0.291 152 F C 2.275 178.091 175.800 0.026 0.000 1.084 152 F CA 1.057 59.082 58.000 0.041 0.000 1.413 152 F CB -0.520 38.509 39.000 0.048 0.000 1.099 152 F HN 0.143 nan 8.300 nan 0.000 0.534 153 N N 0.103 118.906 118.700 0.173 0.000 2.240 153 N HA -0.105 4.636 4.740 0.001 0.000 0.187 153 N C 1.665 177.205 175.510 0.049 0.000 1.042 153 N CA 2.013 55.122 53.050 0.099 0.000 0.861 153 N CB -0.409 38.123 38.487 0.075 0.000 1.026 153 N HN 0.110 nan 8.380 nan 0.000 0.441 154 T N 1.139 115.702 114.554 0.015 0.000 2.737 154 T HA -0.079 4.272 4.350 0.001 0.000 0.265 154 T C 2.025 176.719 174.700 -0.010 0.000 1.038 154 T CA 1.159 63.254 62.100 -0.008 0.000 1.144 154 T CB -0.030 68.819 68.868 -0.032 0.000 0.866 154 T HN 0.315 nan 8.240 nan 0.000 0.434 155 R N 0.872 121.356 120.500 -0.026 0.000 2.080 155 R HA 0.108 4.449 4.340 0.001 0.000 0.222 155 R C 1.862 178.164 176.300 0.003 0.000 1.107 155 R CA 0.996 57.079 56.100 -0.028 0.000 0.980 155 R CB 0.044 30.305 30.300 -0.064 0.000 0.879 155 R HN 0.242 nan 8.270 nan 0.000 0.439 156 N N -0.680 118.039 118.700 0.032 0.000 2.254 156 N HA 0.051 4.792 4.740 0.001 0.000 0.190 156 N C 0.363 175.922 175.510 0.083 0.000 1.107 156 N CA 0.886 53.981 53.050 0.075 0.000 0.869 156 N CB 1.345 39.920 38.487 0.147 0.000 0.983 156 N HN 0.474 nan 8.380 nan 0.000 0.487 157 G N 1.037 109.880 108.800 0.071 0.000 2.153 157 G HA2 -0.273 3.687 3.960 0.001 0.000 0.252 157 G HA3 -0.273 3.687 3.960 0.001 0.000 0.252 157 G C 0.248 175.191 174.900 0.072 0.000 0.994 157 G CA 0.444 45.580 45.100 0.060 0.000 0.698 157 G HN 0.567 nan 8.290 nan 0.000 0.521 158 A N -0.382 122.501 122.820 0.105 0.000 2.287 158 A HA 0.686 5.006 4.320 0.001 0.000 0.273 158 A C 0.449 178.082 177.584 0.081 0.000 1.091 158 A CA -0.410 51.685 52.037 0.097 0.000 0.817 158 A CB 0.434 19.508 19.000 0.123 0.000 1.069 158 A HN 0.381 nan 8.150 nan 0.000 0.492 159 N N 0.162 118.900 118.700 0.063 0.000 2.473 159 N HA 0.431 5.172 4.740 0.001 0.000 0.291 159 N C -1.437 174.104 175.510 0.053 0.000 1.083 159 N CA -0.352 52.731 53.050 0.055 0.000 0.951 159 N CB 1.486 40.002 38.487 0.048 0.000 1.164 159 N HN 0.359 nan 8.380 nan 0.000 0.480 160 L N 1.435 122.688 121.223 0.051 0.000 2.275 160 L HA 0.280 4.621 4.340 0.001 0.000 0.288 160 L C 0.450 177.347 176.870 0.045 0.000 1.046 160 L CA -0.069 54.795 54.840 0.041 0.000 0.805 160 L CB 1.041 43.128 42.059 0.046 0.000 1.193 160 L HN 0.443 nan 8.230 nan 0.000 0.426 161 Q N 2.215 122.049 119.800 0.057 0.000 2.333 161 Q HA 0.543 4.884 4.340 0.001 0.000 0.265 161 Q C -0.784 175.265 176.000 0.080 0.000 0.989 161 Q CA -0.595 55.258 55.803 0.084 0.000 0.842 161 Q CB 1.449 30.271 28.738 0.139 0.000 1.262 161 Q HN 0.752 nan 8.270 nan 0.000 0.451 162 T N 0.890 115.477 114.554 0.054 0.000 2.943 162 T HA 0.639 4.989 4.350 0.001 0.000 0.284 162 T C -0.676 174.075 174.700 0.086 0.000 1.015 162 T CA -0.535 61.559 62.100 -0.010 0.000 1.042 162 T CB 0.811 69.643 68.868 -0.060 0.000 1.055 162 T HN 0.520 nan 8.240 nan 0.000 0.500 163 Y N -1.479 118.838 120.300 0.027 0.000 2.492 163 Y HA 0.748 5.299 4.550 0.001 0.000 0.346 163 Y C -3.293 172.629 175.900 0.036 0.000 0.997 163 Y CA -3.599 54.517 58.100 0.026 0.000 1.025 163 Y CB 0.594 39.064 38.460 0.017 0.000 1.263 163 Y HN 0.421 nan 8.280 nan 0.000 0.454 164 P HA 0.216 nan 4.420 nan 0.000 0.271 164 P C 0.452 177.835 177.300 0.139 0.000 1.218 164 P CA -0.101 63.080 63.100 0.135 0.000 0.780 164 P CB 1.025 32.810 31.700 0.141 0.000 0.901 165 I N -2.792 117.810 120.570 0.053 0.000 4.240 165 I HA 0.403 4.574 4.170 0.001 0.000 0.331 165 I C -0.509 175.175 176.117 -0.722 0.000 1.381 165 I CA -0.103 61.015 61.300 -0.304 0.000 1.136 165 I CB 0.039 37.918 38.000 -0.203 0.000 1.137 165 I HN -0.052 nan 8.210 nan 0.000 0.411 166 F N 2.325 122.319 119.950 0.074 0.000 2.551 166 F HA 0.469 4.997 4.527 0.001 0.000 0.316 166 F C 0.089 175.973 175.800 0.141 0.000 1.089 166 F CA -1.131 56.949 58.000 0.133 0.000 0.915 166 F CB 1.263 40.459 39.000 0.326 0.000 1.186 166 F HN 0.013 nan 8.300 nan 0.000 0.456 167 D N 1.109 121.674 120.400 0.274 0.000 2.440 167 D HA 0.184 4.824 4.640 0.001 0.000 0.269 167 D C 0.948 177.346 176.300 0.164 0.000 1.249 167 D CA -0.416 53.684 54.000 0.166 0.000 1.055 167 D CB 0.543 41.402 40.800 0.099 0.000 1.104 167 D HN 0.377 nan 8.370 nan 0.000 0.561 168 K N -0.797 119.659 120.400 0.094 0.000 2.089 168 K HA -0.155 4.165 4.320 0.001 0.000 0.210 168 K C 0.657 177.266 176.600 0.016 0.000 1.048 168 K CA 1.715 58.041 56.287 0.064 0.000 0.926 168 K CB -0.255 32.267 32.500 0.037 0.000 0.714 168 K HN 0.487 nan 8.250 nan 0.000 0.448 169 D N -0.947 119.416 120.400 -0.062 0.000 2.325 169 D HA 0.062 4.702 4.640 0.001 0.000 0.225 169 D C 0.932 177.097 176.300 -0.225 0.000 1.096 169 D CA 0.606 54.486 54.000 -0.199 0.000 0.844 169 D CB 0.676 41.241 40.800 -0.391 0.000 0.925 169 D HN 0.419 nan 8.370 nan 0.000 0.513 170 G N 1.319 110.093 108.800 -0.043 0.000 2.159 170 G HA2 -0.239 3.721 3.960 0.001 0.000 0.256 170 G HA3 -0.239 3.721 3.960 0.001 0.000 0.256 170 G C 0.105 175.261 174.900 0.428 0.000 0.977 170 G CA -0.102 45.018 45.100 0.032 0.000 0.652 170 G HN 0.363 nan 8.290 nan 0.000 0.531 171 H N -1.034 118.227 119.070 0.320 0.000 2.467 171 H HA 0.502 5.059 4.556 0.001 0.000 0.331 171 H C 0.284 175.820 175.328 0.346 0.000 1.120 171 H CA -1.476 54.774 56.048 0.336 0.000 1.270 171 H CB 0.575 30.459 29.762 0.204 0.000 1.466 171 H HN 0.244 nan 8.280 nan 0.000 0.504 172 Y N 1.260 121.658 120.300 0.164 0.000 2.597 172 Y HA 0.197 4.748 4.550 0.001 0.000 0.336 172 Y C 0.471 176.289 175.900 -0.136 0.000 1.216 172 Y CA 0.832 58.717 58.100 -0.359 0.000 1.463 172 Y CB 0.656 38.556 38.460 -0.934 0.000 1.303 172 Y HN 0.592 nan 8.280 nan 0.000 0.576 173 T N 3.520 117.586 114.554 -0.813 0.000 2.956 173 T HA 0.248 4.598 4.350 0.001 0.000 0.312 173 T C 0.376 174.710 174.700 -0.611 0.000 1.151 173 T CA -0.053 61.778 62.100 -0.449 0.000 1.024 173 T CB 0.898 69.655 68.868 -0.185 0.000 1.140 173 T HN 0.755 nan 8.240 nan 0.000 0.473 174 T N 0.396 114.784 114.554 -0.278 0.000 3.081 174 T HA 0.133 4.484 4.350 0.001 0.000 0.250 174 T C 1.057 175.686 174.700 -0.118 0.000 1.100 174 T CA 0.230 62.231 62.100 -0.165 0.000 1.038 174 T CB -0.054 68.793 68.868 -0.034 0.000 0.962 174 T HN 0.522 nan 8.240 nan 0.000 0.516 175 D N 2.276 122.617 120.400 -0.098 0.000 2.123 175 D HA -0.060 4.580 4.640 0.001 0.000 0.196 175 D C 2.222 178.488 176.300 -0.057 0.000 0.992 175 D CA 1.220 55.184 54.000 -0.059 0.000 0.833 175 D CB -0.290 40.490 40.800 -0.033 0.000 0.954 175 D HN 0.396 nan 8.370 nan 0.000 0.455 176 S N 0.262 115.933 115.700 -0.048 0.000 2.406 176 S HA -0.060 4.410 4.470 0.001 0.000 0.228 176 S C 1.813 176.358 174.600 -0.092 0.000 1.020 176 S CA 0.059 58.253 58.200 -0.010 0.000 0.965 176 S CB -0.065 63.178 63.200 0.072 0.000 0.798 176 S HN 0.158 nan 8.310 nan 0.000 0.488 177 L N 2.120 123.216 121.223 -0.213 0.000 2.017 177 L HA -0.023 4.317 4.340 0.001 0.000 0.208 177 L C 2.149 178.827 176.870 -0.319 0.000 1.073 177 L CA 1.645 56.157 54.840 -0.547 0.000 0.745 177 L CB -0.810 40.946 42.059 -0.506 0.000 0.894 177 L HN 0.113 nan 8.230 nan 0.000 0.432 178 V N 0.028 119.834 119.914 -0.180 0.000 2.332 178 V HA -0.324 3.796 4.120 0.001 0.000 0.248 178 V C 2.628 178.670 176.094 -0.087 0.000 1.055 178 V CA 2.096 64.327 62.300 -0.116 0.000 1.038 178 V CB -0.743 31.035 31.823 -0.075 0.000 0.651 178 V HN 0.638 nan 8.190 nan 0.000 0.450 179 E N 0.189 120.346 120.200 -0.071 0.000 2.077 179 E HA -0.236 4.115 4.350 0.001 0.000 0.193 179 E C 2.240 178.823 176.600 -0.028 0.000 0.989 179 E CA 1.401 57.780 56.400 -0.035 0.000 0.800 179 E CB -0.244 29.446 29.700 -0.016 0.000 0.746 179 E HN 0.565 nan 8.360 nan 0.000 0.452 180 A N 0.989 123.774 122.820 -0.059 0.000 1.902 180 A HA -0.155 4.166 4.320 0.001 0.000 0.217 180 A C 2.201 179.782 177.584 -0.005 0.000 1.181 180 A CA 1.233 53.254 52.037 -0.027 0.000 0.623 180 A CB -0.636 18.312 19.000 -0.087 0.000 0.818 180 A HN 0.318 nan 8.150 nan 0.000 0.443 181 L N -1.098 120.075 121.223 -0.083 0.000 2.093 181 L HA -0.207 4.134 4.340 0.001 0.000 0.208 181 L C 2.798 179.678 176.870 0.017 0.000 1.085 181 L CA 1.316 56.122 54.840 -0.057 0.000 0.755 181 L CB -0.542 41.447 42.059 -0.118 0.000 0.904 181 L HN 0.475 nan 8.230 nan 0.000 0.435 182 Q N -0.366 119.434 119.800 0.001 0.000 2.172 182 Q HA -0.131 4.210 4.340 0.001 0.000 0.200 182 Q C 2.243 178.263 176.000 0.033 0.000 0.964 182 Q CA 1.706 57.517 55.803 0.012 0.000 0.855 182 Q CB 0.031 28.767 28.738 -0.004 0.000 0.918 182 Q HN 0.573 nan 8.270 nan 0.000 0.444 183 S N -1.249 114.478 115.700 0.045 0.000 2.548 183 S HA -0.006 4.464 4.470 0.001 0.000 0.215 183 S C 0.285 174.918 174.600 0.054 0.000 0.976 183 S CA -0.536 57.688 58.200 0.039 0.000 0.908 183 S CB -0.164 63.054 63.200 0.029 0.000 0.781 183 S HN 0.283 nan 8.310 nan 0.000 0.519 184 Y N 4.883 125.169 120.300 -0.022 0.000 2.632 184 Y HA 0.208 4.759 4.550 0.001 0.000 0.329 184 Y C 0.863 176.755 175.900 -0.013 0.000 1.174 184 Y CA -0.059 58.030 58.100 -0.018 0.000 1.469 184 Y CB 0.390 38.834 38.460 -0.026 0.000 1.242 184 Y HN 0.390 nan 8.280 nan 0.000 0.540 185 N N 3.713 122.081 118.700 -0.553 0.000 2.235 185 N HA 0.124 4.865 4.740 0.001 0.000 0.231 185 N C -0.971 174.344 175.510 -0.326 0.000 1.177 185 N CA -0.219 52.645 53.050 -0.310 0.000 0.874 185 N CB 0.266 38.633 38.487 -0.201 0.000 1.097 185 N HN 0.474 nan 8.380 nan 0.000 0.518 186 K N 0.149 120.247 120.400 -0.503 0.000 2.238 186 K HA 0.198 4.519 4.320 0.001 0.000 0.239 186 K C -0.066 176.567 176.600 0.055 0.000 0.987 186 K CA -0.609 55.559 56.287 -0.198 0.000 0.857 186 K CB 1.267 33.640 32.500 -0.211 0.000 1.154 186 K HN -0.035 nan 8.250 nan 0.000 0.439 187 D N 0.338 120.774 120.400 0.060 0.000 2.349 187 D HA -0.038 4.602 4.640 0.001 0.000 0.224 187 D C -0.133 176.228 176.300 0.101 0.000 1.029 187 D CA 0.622 54.669 54.000 0.077 0.000 0.879 187 D CB 0.265 41.091 40.800 0.043 0.000 0.906 187 D HN 0.239 nan 8.370 nan 0.000 0.528 188 K N -0.399 120.091 120.400 0.149 0.000 2.523 188 K HA 0.547 4.867 4.320 0.001 0.000 0.257 188 K C -2.238 174.457 176.600 0.159 0.000 0.932 188 K CA -0.993 55.359 56.287 0.108 0.000 0.812 188 K CB 2.847 35.388 32.500 0.069 0.000 1.326 188 K HN -0.095 nan 8.250 nan 0.000 0.433 189 V N 4.830 124.751 119.914 0.011 0.000 2.971 189 V HA 0.571 4.692 4.120 0.001 0.000 0.309 189 V C -1.686 174.330 176.094 -0.130 0.000 1.130 189 V CA -0.835 61.406 62.300 -0.100 0.000 0.964 189 V CB 1.950 33.480 31.823 -0.488 0.000 1.029 189 V HN 0.714 nan 8.190 nan 0.000 0.427 190 I N 6.434 126.921 120.570 -0.138 0.000 2.355 190 I HA 0.497 4.668 4.170 0.001 0.000 0.288 190 I C 0.178 176.167 176.117 -0.213 0.000 0.999 190 I CA 0.081 61.271 61.300 -0.183 0.000 1.163 190 I CB 1.575 39.443 38.000 -0.220 0.000 1.316 190 I HN 0.490 nan 8.210 nan 0.000 0.454 191 M N 6.534 126.024 119.600 -0.184 0.000 2.363 191 M HA 0.555 5.036 4.480 0.001 0.000 0.343 191 M C -0.664 175.544 176.300 -0.153 0.000 1.165 191 M CA -0.389 54.826 55.300 -0.142 0.000 1.046 191 M CB 1.650 34.193 32.600 -0.095 0.000 1.648 191 M HN 0.354 nan 8.290 nan 0.000 0.452 192 I N 4.319 124.788 120.570 -0.167 0.000 2.362 192 I HA 0.404 4.575 4.170 0.001 0.000 0.289 192 I C -1.007 175.063 176.117 -0.079 0.000 0.994 192 I CA -0.536 60.645 61.300 -0.199 0.000 1.158 192 I CB 1.197 38.910 38.000 -0.479 0.000 1.315 192 I HN 0.537 nan 8.210 nan 0.000 0.451 193 L N 6.971 128.191 121.223 -0.006 0.000 2.319 193 L HA 0.455 4.796 4.340 0.001 0.000 0.281 193 L C -0.186 176.683 176.870 -0.002 0.000 1.005 193 L CA -0.300 54.571 54.840 0.053 0.000 0.828 193 L CB 1.358 43.536 42.059 0.199 0.000 1.227 193 L HN 0.615 nan 8.230 nan 0.000 0.415 194 N N 3.524 122.074 118.700 -0.249 0.000 2.617 194 N HA 0.337 5.078 4.740 0.001 0.000 0.263 194 N C -1.969 173.338 175.510 -0.339 0.000 1.074 194 N CA -0.365 52.619 53.050 -0.111 0.000 0.841 194 N CB 0.959 39.504 38.487 0.097 0.000 1.221 194 N HN 0.409 nan 8.380 nan 0.000 0.529 195 Y N 1.880 122.319 120.300 0.232 0.000 2.361 195 Y HA 0.407 4.958 4.550 0.001 0.000 0.328 195 Y C -2.274 173.780 175.900 0.256 0.000 1.044 195 Y CA -1.867 56.361 58.100 0.214 0.000 1.085 195 Y CB 1.840 40.401 38.460 0.168 0.000 1.194 195 Y HN 0.454 nan 8.280 nan 0.000 0.438 196 P HA -0.030 nan 4.420 nan 0.000 0.268 196 P C -0.270 177.138 177.300 0.179 0.000 1.205 196 P CA -0.084 63.161 63.100 0.242 0.000 0.771 196 P CB 0.676 32.409 31.700 0.055 0.000 0.858 197 N N 2.854 121.671 118.700 0.195 0.000 2.499 197 N HA 0.050 4.791 4.740 0.001 0.000 0.281 197 N C -0.619 174.921 175.510 0.050 0.000 1.098 197 N CA -0.231 52.900 53.050 0.135 0.000 0.979 197 N CB 0.313 38.961 38.487 0.267 0.000 1.121 197 N HN 0.268 nan 8.380 nan 0.000 0.466 198 N N 3.752 122.483 118.700 0.051 0.000 2.437 198 N HA 0.305 5.045 4.740 0.001 0.000 0.259 198 N C -2.190 173.348 175.510 0.046 0.000 0.983 198 N CA -2.027 51.026 53.050 0.005 0.000 0.937 198 N CB 1.454 39.955 38.487 0.024 0.000 1.122 198 N HN 0.424 nan 8.380 nan 0.000 0.499 199 P HA 0.167 nan 4.420 nan 0.000 0.282 199 P C 0.441 177.729 177.300 -0.019 0.000 1.373 199 P CA 0.181 63.184 63.100 -0.163 0.000 1.001 199 P CB 0.342 31.931 31.700 -0.185 0.000 1.489 200 T N -5.263 109.343 114.554 0.087 0.000 3.037 200 T HA 0.292 4.642 4.350 0.001 0.000 0.251 200 T C 1.510 176.415 174.700 0.343 0.000 1.079 200 T CA 0.754 62.934 62.100 0.132 0.000 1.067 200 T CB -0.947 67.984 68.868 0.106 0.000 0.948 200 T HN 0.130 nan 8.240 nan 0.000 0.496 201 G N 0.921 109.919 108.800 0.331 0.000 2.198 201 G HA2 -0.285 3.675 3.960 0.001 0.000 0.260 201 G HA3 -0.285 3.675 3.960 0.001 0.000 0.260 201 G C -0.256 174.915 174.900 0.452 0.000 1.025 201 G CA 0.279 45.596 45.100 0.361 0.000 0.769 201 G HN 0.762 nan 8.290 nan 0.000 0.507 202 Y N 1.089 121.609 120.300 0.367 0.000 2.342 202 Y HA 0.627 5.178 4.550 0.001 0.000 0.334 202 Y C 0.351 176.413 175.900 0.270 0.000 1.067 202 Y CA -0.180 58.124 58.100 0.339 0.000 1.128 202 Y CB 1.747 40.480 38.460 0.455 0.000 1.200 202 Y HN 0.097 nan 8.280 nan 0.000 0.464 203 T N 8.749 122.928 114.554 -0.625 0.000 2.824 203 T HA 0.373 4.724 4.350 0.001 0.000 0.282 203 T C -2.823 171.252 174.700 -1.042 0.000 0.993 203 T CA -1.499 60.311 62.100 -0.484 0.000 0.967 203 T CB 1.636 70.418 68.868 -0.144 0.000 0.960 203 T HN 0.418 nan 8.240 nan 0.000 0.441 204 P HA 0.196 nan 4.420 nan 0.000 0.274 204 P C 0.212 177.310 177.300 -0.337 0.000 1.237 204 P CA -0.371 62.379 63.100 -0.582 0.000 0.793 204 P CB 0.235 31.601 31.700 -0.557 0.000 0.977 205 T N -2.040 112.410 114.554 -0.174 0.000 2.766 205 T HA 0.019 4.370 4.350 0.001 0.000 0.295 205 T C 1.351 176.041 174.700 -0.016 0.000 1.024 205 T CA 0.091 62.150 62.100 -0.068 0.000 1.018 205 T CB -0.004 68.862 68.868 -0.003 0.000 1.002 205 T HN 0.399 nan 8.240 nan 0.000 0.532 206 H N 0.571 119.616 119.070 -0.041 0.000 2.387 206 H HA -0.021 4.535 4.556 0.001 0.000 0.299 206 H C 2.067 177.318 175.328 -0.129 0.000 1.090 206 H CA 1.908 57.911 56.048 -0.074 0.000 1.332 206 H CB -0.295 29.506 29.762 0.065 0.000 1.386 206 H HN 0.719 nan 8.280 nan 0.000 0.516 207 K N 1.025 121.468 120.400 0.071 0.000 2.044 207 K HA -0.160 4.161 4.320 0.001 0.000 0.210 207 K C 2.256 178.860 176.600 0.007 0.000 1.049 207 K CA 2.055 58.346 56.287 0.006 0.000 0.927 207 K CB -0.106 32.400 32.500 0.011 0.000 0.713 207 K HN 0.432 nan 8.250 nan 0.000 0.443 208 E N -0.672 119.536 120.200 0.014 0.000 2.072 208 E HA -0.133 4.218 4.350 0.001 0.000 0.191 208 E C 1.966 178.543 176.600 -0.040 0.000 0.985 208 E CA 1.265 57.682 56.400 0.029 0.000 0.801 208 E CB -0.004 29.750 29.700 0.091 0.000 0.750 208 E HN 0.054 nan 8.360 nan 0.000 0.452 209 V N 1.235 121.063 119.914 -0.143 0.000 2.287 209 V HA -0.288 3.832 4.120 0.001 0.000 0.248 209 V C 2.293 178.291 176.094 -0.161 0.000 1.053 209 V CA 2.219 64.364 62.300 -0.259 0.000 1.027 209 V CB -0.781 30.640 31.823 -0.670 0.000 0.646 209 V HN 0.361 nan 8.190 nan 0.000 0.447 210 T N -0.451 114.058 114.554 -0.074 0.000 2.665 210 T HA -0.241 4.110 4.350 0.001 0.000 0.268 210 T C 1.942 176.613 174.700 -0.049 0.000 1.035 210 T CA 2.239 64.313 62.100 -0.044 0.000 1.151 210 T CB -0.489 68.354 68.868 -0.041 0.000 0.862 210 T HN 0.562 nan 8.240 nan 0.000 0.438 211 T N 2.031 116.562 114.554 -0.037 0.000 2.684 211 T HA -0.018 4.333 4.350 0.001 0.000 0.267 211 T C 1.989 176.666 174.700 -0.038 0.000 1.036 211 T CA 1.057 63.139 62.100 -0.030 0.000 1.148 211 T CB -0.465 68.395 68.868 -0.013 0.000 0.863 211 T HN 0.323 nan 8.240 nan 0.000 0.436 212 I N 1.450 121.999 120.570 -0.036 0.000 2.142 212 I HA -0.186 3.985 4.170 0.001 0.000 0.240 212 I C 2.661 178.748 176.117 -0.049 0.000 1.078 212 I CA 1.261 62.541 61.300 -0.033 0.000 1.343 212 I CB -0.543 37.455 38.000 -0.005 0.000 1.046 212 I HN 0.185 nan 8.210 nan 0.000 0.405 213 V N -1.858 118.020 119.914 -0.061 0.000 2.548 213 V HA -0.128 3.992 4.120 0.001 0.000 0.249 213 V C 2.153 178.213 176.094 -0.058 0.000 1.055 213 V CA 1.337 63.598 62.300 -0.065 0.000 1.065 213 V CB -0.794 30.980 31.823 -0.081 0.000 0.681 213 V HN 0.358 nan 8.190 nan 0.000 0.462 214 E N 1.457 121.626 120.200 -0.051 0.000 2.110 214 E HA -0.136 4.214 4.350 0.001 0.000 0.193 214 E C 2.422 178.995 176.600 -0.045 0.000 0.988 214 E CA 1.576 57.951 56.400 -0.043 0.000 0.804 214 E CB -0.376 29.301 29.700 -0.037 0.000 0.745 214 E HN 0.719 nan 8.360 nan 0.000 0.458 215 A N 1.357 124.146 122.820 -0.052 0.000 1.902 215 A HA -0.140 4.180 4.320 0.001 0.000 0.217 215 A C 2.248 179.792 177.584 -0.067 0.000 1.181 215 A CA 0.973 52.974 52.037 -0.060 0.000 0.623 215 A CB -0.568 18.388 19.000 -0.074 0.000 0.818 215 A HN 0.132 nan 8.150 nan 0.000 0.443 216 I N -0.664 119.863 120.570 -0.072 0.000 2.252 216 I HA -0.236 3.934 4.170 0.001 0.000 0.245 216 I C 2.490 178.569 176.117 -0.064 0.000 1.102 216 I CA 1.776 63.029 61.300 -0.078 0.000 1.385 216 I CB -0.227 37.727 38.000 -0.077 0.000 1.064 216 I HN 0.360 nan 8.210 nan 0.000 0.414 217 K N 1.494 121.862 120.400 -0.053 0.000 2.097 217 K HA -0.182 4.139 4.320 0.001 0.000 0.206 217 K C 2.148 178.729 176.600 -0.031 0.000 1.049 217 K CA 1.488 57.750 56.287 -0.041 0.000 0.933 217 K CB -0.094 32.384 32.500 -0.036 0.000 0.717 217 K HN 0.296 nan 8.250 nan 0.000 0.442 218 A N 0.949 123.749 122.820 -0.032 0.000 1.930 218 A HA -0.114 4.206 4.320 0.001 0.000 0.217 218 A C 2.011 179.584 177.584 -0.018 0.000 1.175 218 A CA 1.237 53.260 52.037 -0.023 0.000 0.627 218 A CB -0.581 18.404 19.000 -0.025 0.000 0.815 218 A HN 0.382 nan 8.150 nan 0.000 0.443 219 L N -0.060 121.146 121.223 -0.028 0.000 2.017 219 L HA -0.048 4.293 4.340 0.001 0.000 0.208 219 L C 2.663 179.526 176.870 -0.011 0.000 1.073 219 L CA 2.244 57.073 54.840 -0.019 0.000 0.745 219 L CB -0.985 41.042 42.059 -0.052 0.000 0.894 219 L HN 0.338 nan 8.230 nan 0.000 0.432 220 A N -0.292 122.512 122.820 -0.026 0.000 1.908 220 A HA -0.247 4.073 4.320 0.001 0.000 0.218 220 A C 2.023 179.604 177.584 -0.004 0.000 1.181 220 A CA 2.031 54.057 52.037 -0.018 0.000 0.627 220 A CB -0.866 18.117 19.000 -0.029 0.000 0.818 220 A HN 0.635 nan 8.150 nan 0.000 0.445 221 N N -0.271 118.426 118.700 -0.005 0.000 2.459 221 N HA -0.059 4.682 4.740 0.001 0.000 0.181 221 N C 1.267 176.781 175.510 0.006 0.000 1.046 221 N CA 0.990 54.041 53.050 0.000 0.000 0.904 221 N CB -0.218 38.268 38.487 -0.002 0.000 0.964 221 N HN 0.574 nan 8.380 nan 0.000 0.444 222 K N -0.438 119.968 120.400 0.010 0.000 2.486 222 K HA 0.101 4.422 4.320 0.001 0.000 0.194 222 K C 0.815 177.429 176.600 0.022 0.000 1.033 222 K CA 0.510 56.807 56.287 0.016 0.000 1.004 222 K CB 0.327 32.841 32.500 0.023 0.000 0.798 222 K HN 0.223 nan 8.250 nan 0.000 0.495 223 G N 0.690 109.503 108.800 0.023 0.000 2.175 223 G HA2 -0.176 3.784 3.960 0.001 0.000 0.182 223 G HA3 -0.176 3.784 3.960 0.001 0.000 0.182 223 G C -0.004 174.919 174.900 0.038 0.000 1.003 223 G CA -0.352 44.764 45.100 0.027 0.000 0.666 223 G HN 0.206 nan 8.290 nan 0.000 0.506 224 T N 1.936 116.518 114.554 0.045 0.000 2.771 224 T HA 0.480 4.831 4.350 0.001 0.000 0.291 224 T C 0.377 175.090 174.700 0.022 0.000 0.954 224 T CA -0.177 61.960 62.100 0.062 0.000 1.045 224 T CB 1.238 70.171 68.868 0.108 0.000 0.917 224 T HN 0.312 nan 8.240 nan 0.000 0.484 225 K N 2.318 122.731 120.400 0.021 0.000 2.339 225 K HA 0.438 4.759 4.320 0.001 0.000 0.286 225 K C -0.708 175.868 176.600 -0.040 0.000 1.050 225 K CA -0.499 55.784 56.287 -0.007 0.000 0.956 225 K CB 0.837 33.339 32.500 0.004 0.000 0.990 225 K HN 0.269 nan 8.250 nan 0.000 0.475 226 V N 5.274 125.146 119.914 -0.070 0.000 2.378 226 V HA 0.243 4.364 4.120 0.001 0.000 0.288 226 V C -0.465 175.552 176.094 -0.129 0.000 1.016 226 V CA -0.922 61.314 62.300 -0.107 0.000 0.840 226 V CB 1.036 32.794 31.823 -0.108 0.000 0.994 226 V HN 0.554 nan 8.190 nan 0.000 0.431 227 I N 4.534 125.008 120.570 -0.160 0.000 2.301 227 I HA 0.535 4.706 4.170 0.001 0.000 0.292 227 I C 0.721 176.748 176.117 -0.150 0.000 1.046 227 I CA 0.174 61.348 61.300 -0.209 0.000 1.282 227 I CB 1.388 39.209 38.000 -0.298 0.000 1.409 227 I HN 0.658 nan 8.210 nan 0.000 0.484 228 A N 7.001 129.758 122.820 -0.104 0.000 2.412 228 A HA 0.616 4.937 4.320 0.001 0.000 0.334 228 A C -0.296 177.281 177.584 -0.011 0.000 1.419 228 A CA -0.541 51.461 52.037 -0.057 0.000 0.930 228 A CB 0.086 19.063 19.000 -0.039 0.000 1.149 228 A HN 0.429 nan 8.150 nan 0.000 0.515 229 V N 3.405 123.301 119.914 -0.030 0.000 2.455 229 V HA 0.159 4.280 4.120 0.001 0.000 0.273 229 V C 0.125 176.244 176.094 0.042 0.000 1.045 229 V CA -0.155 62.149 62.300 0.008 0.000 0.976 229 V CB 1.171 32.984 31.823 -0.016 0.000 0.993 229 V HN 0.520 nan 8.190 nan 0.000 0.475 230 V N 4.547 124.511 119.914 0.082 0.000 2.311 230 V HA 0.258 4.379 4.120 0.001 0.000 0.275 230 V C 0.083 176.229 176.094 0.087 0.000 1.022 230 V CA -0.498 61.868 62.300 0.112 0.000 0.830 230 V CB 1.413 33.336 31.823 0.168 0.000 1.012 230 V HN 0.870 nan 8.190 nan 0.000 0.452 231 D N 3.756 124.223 120.400 0.111 0.000 2.441 231 D HA 0.144 4.784 4.640 0.001 0.000 0.221 231 D C -0.008 176.354 176.300 0.104 0.000 1.156 231 D CA -0.228 53.844 54.000 0.121 0.000 0.896 231 D CB 1.110 42.047 40.800 0.228 0.000 1.028 231 D HN 0.432 nan 8.370 nan 0.000 0.509 232 D N 3.035 123.467 120.400 0.053 0.000 2.706 232 D HA 0.185 4.825 4.640 0.001 0.000 0.236 232 D C 1.559 177.853 176.300 -0.010 0.000 1.231 232 D CA -0.131 53.914 54.000 0.076 0.000 0.828 232 D CB 0.540 41.352 40.800 0.020 0.000 1.015 232 D HN 0.479 nan 8.370 nan 0.000 0.484 233 A N -0.252 122.489 122.820 -0.131 0.000 1.927 233 A HA -0.243 4.078 4.320 0.001 0.000 0.220 233 A C 1.121 178.325 177.584 -0.634 0.000 1.185 233 A CA 1.383 53.148 52.037 -0.454 0.000 0.639 233 A CB -0.610 17.962 19.000 -0.712 0.000 0.820 233 A HN 0.394 nan 8.150 nan 0.000 0.451 234 Y N -2.879 117.306 120.300 -0.193 0.000 2.607 234 Y HA 0.290 4.841 4.550 0.001 0.000 0.266 234 Y C 0.348 176.071 175.900 -0.295 0.000 1.178 234 Y CA -1.139 56.779 58.100 -0.303 0.000 1.226 234 Y CB -0.611 37.651 38.460 -0.331 0.000 1.144 234 Y HN 0.357 nan 8.280 nan 0.000 0.528 235 Y N 1.428 121.617 120.300 -0.185 0.000 2.811 235 Y HA 0.275 4.825 4.550 0.001 0.000 0.334 235 Y C 1.407 177.052 175.900 -0.425 0.000 1.247 235 Y CA 1.244 59.206 58.100 -0.230 0.000 1.526 235 Y CB 0.391 38.810 38.460 -0.069 0.000 1.284 235 Y HN 0.474 nan 8.280 nan 0.000 0.586 236 G N 4.154 111.925 108.800 -1.715 0.000 2.241 236 G HA2 -0.268 3.693 3.960 0.001 0.000 0.244 236 G HA3 -0.268 3.693 3.960 0.001 0.000 0.244 236 G C 0.115 174.360 174.900 -1.090 0.000 0.998 236 G CA 0.122 44.443 45.100 -1.298 0.000 0.621 236 G HN 0.674 nan 8.290 nan 0.000 0.519 237 L N 1.729 122.298 121.223 -1.089 0.000 2.480 237 L HA 0.470 4.810 4.340 0.001 0.000 0.243 237 L C -0.354 175.853 176.870 -1.104 0.000 1.315 237 L CA -0.400 54.019 54.840 -0.702 0.000 1.231 237 L CB -0.490 41.373 42.059 -0.326 0.000 1.444 237 L HN 0.059 nan 8.230 nan 0.000 0.409 238 F N -0.555 119.038 119.950 -0.594 0.000 2.427 238 F HA 0.328 4.855 4.527 0.001 0.000 0.346 238 F C 0.358 175.860 175.800 -0.497 0.000 1.120 238 F CA -0.761 56.872 58.000 -0.613 0.000 1.033 238 F CB 0.911 39.687 39.000 -0.373 0.000 1.126 238 F HN 0.092 nan 8.300 nan 0.000 0.462 239 Y N -0.405 119.846 120.300 -0.083 0.000 2.481 239 Y HA 0.335 4.886 4.550 0.001 0.000 0.247 239 Y C 0.547 176.363 175.900 -0.140 0.000 1.151 239 Y CA -0.327 57.653 58.100 -0.200 0.000 1.238 239 Y CB 0.013 38.119 38.460 -0.589 0.000 1.179 239 Y HN 0.356 nan 8.280 nan 0.000 0.524 240 E N -0.396 119.779 120.200 -0.042 0.000 2.431 240 E HA 0.130 4.480 4.350 0.001 0.000 0.268 240 E C -1.182 175.376 176.600 -0.071 0.000 0.953 240 E CA -0.710 55.675 56.400 -0.025 0.000 0.810 240 E CB 1.289 30.966 29.700 -0.038 0.000 1.369 240 E HN -0.160 nan 8.360 nan 0.000 0.440 241 D N 1.914 122.278 120.400 -0.061 0.000 2.498 241 D HA 0.176 4.817 4.640 0.001 0.000 0.229 241 D C -0.323 175.905 176.300 -0.120 0.000 1.188 241 D CA 0.022 53.974 54.000 -0.080 0.000 1.028 241 D CB -0.468 40.306 40.800 -0.043 0.000 1.087 241 D HN 0.261 nan 8.370 nan 0.000 0.510 242 V N 1.299 121.086 119.914 -0.210 0.000 3.204 242 V HA 0.484 4.605 4.120 0.001 0.000 0.316 242 V C -0.155 175.763 176.094 -0.294 0.000 1.160 242 V CA -1.265 60.878 62.300 -0.262 0.000 1.044 242 V CB 0.934 32.529 31.823 -0.380 0.000 1.136 242 V HN 0.201 nan 8.190 nan 0.000 0.455 243 Y N 1.667 121.724 120.300 -0.405 0.000 2.650 243 Y HA 0.344 4.894 4.550 0.001 0.000 0.331 243 Y C 1.484 177.004 175.900 -0.634 0.000 1.165 243 Y CA 0.882 58.724 58.100 -0.429 0.000 1.473 243 Y CB 1.001 39.227 38.460 -0.389 0.000 1.224 243 Y HN 0.948 nan 8.280 nan 0.000 0.533 244 T N 1.166 115.178 114.554 -0.903 0.000 3.044 244 T HA 0.251 4.601 4.350 0.001 0.000 0.260 244 T C 0.267 174.700 174.700 -0.444 0.000 1.019 244 T CA -0.259 61.305 62.100 -0.892 0.000 0.921 244 T CB -0.017 68.515 68.868 -0.559 0.000 1.053 244 T HN 0.631 nan 8.240 nan 0.000 0.533 245 Q N 1.538 120.874 119.800 -0.773 0.000 2.256 245 Q HA 0.514 4.854 4.340 0.001 0.000 0.232 245 Q C -0.011 175.969 176.000 -0.033 0.000 0.965 245 Q CA -0.566 55.016 55.803 -0.368 0.000 0.908 245 Q CB 1.204 29.634 28.738 -0.514 0.000 1.209 245 Q HN 0.309 nan 8.270 nan 0.000 0.489 246 S N 0.187 115.940 115.700 0.089 0.000 2.572 246 S HA 0.030 4.501 4.470 0.001 0.000 0.279 246 S C 0.973 175.758 174.600 0.309 0.000 1.341 246 S CA -0.461 57.827 58.200 0.147 0.000 1.043 246 S CB 0.327 63.489 63.200 -0.063 0.000 0.887 246 S HN 0.496 nan 8.310 nan 0.000 0.516 247 L N 4.712 126.129 121.223 0.323 0.000 2.353 247 L HA 0.048 4.388 4.340 0.001 0.000 0.220 247 L C 1.786 178.764 176.870 0.179 0.000 1.133 247 L CA 1.198 56.181 54.840 0.238 0.000 0.798 247 L CB -0.949 41.230 42.059 0.200 0.000 0.922 247 L HN 0.852 nan 8.230 nan 0.000 0.445 248 F N 0.326 120.302 119.950 0.043 0.000 2.120 248 F HA -0.296 4.231 4.527 0.001 0.000 0.300 248 F C 2.345 178.140 175.800 -0.007 0.000 1.095 248 F CA 2.127 60.126 58.000 -0.002 0.000 1.249 248 F CB -0.455 38.524 39.000 -0.035 0.000 0.995 248 F HN 0.042 nan 8.300 nan 0.000 0.480 249 T N 0.609 115.205 114.554 0.071 0.000 2.701 249 T HA -0.145 4.206 4.350 0.001 0.000 0.263 249 T C 2.261 176.915 174.700 -0.076 0.000 1.040 249 T CA 1.471 63.552 62.100 -0.031 0.000 1.147 249 T CB -0.959 67.955 68.868 0.077 0.000 0.865 249 T HN 0.375 nan 8.240 nan 0.000 0.426 250 A N 1.228 124.059 122.820 0.019 0.000 1.917 250 A HA -0.067 4.253 4.320 0.001 0.000 0.219 250 A C 2.317 179.829 177.584 -0.120 0.000 1.182 250 A CA 1.471 53.483 52.037 -0.042 0.000 0.633 250 A CB -0.942 17.987 19.000 -0.118 0.000 0.819 250 A HN 0.478 nan 8.150 nan 0.000 0.448 251 L N -1.174 119.960 121.223 -0.149 0.000 2.109 251 L HA -0.111 4.230 4.340 0.001 0.000 0.207 251 L C 2.751 179.452 176.870 -0.282 0.000 1.086 251 L CA 1.617 56.349 54.840 -0.182 0.000 0.760 251 L CB -0.686 41.288 42.059 -0.142 0.000 0.910 251 L HN 0.329 nan 8.230 nan 0.000 0.437 252 T N -0.637 113.660 114.554 -0.429 0.000 2.821 252 T HA -0.104 4.247 4.350 0.001 0.000 0.267 252 T C 1.546 175.925 174.700 -0.535 0.000 1.046 252 T CA 1.073 62.870 62.100 -0.505 0.000 1.139 252 T CB -0.220 68.236 68.868 -0.687 0.000 0.871 252 T HN 0.242 nan 8.240 nan 0.000 0.454 253 N N 1.190 119.638 118.700 -0.419 0.000 2.571 253 N HA 0.122 4.863 4.740 0.001 0.000 0.189 253 N C 1.503 176.807 175.510 -0.343 0.000 1.154 253 N CA 0.245 53.042 53.050 -0.422 0.000 0.907 253 N CB -0.313 38.085 38.487 -0.148 0.000 0.977 253 N HN 0.406 nan 8.380 nan 0.000 0.449 254 L N -0.132 120.921 121.223 -0.284 0.000 2.217 254 L HA -0.048 4.292 4.340 0.001 0.000 0.211 254 L C 0.002 176.836 176.870 -0.060 0.000 1.107 254 L CA 0.500 55.260 54.840 -0.134 0.000 0.783 254 L CB -0.497 41.497 42.059 -0.107 0.000 0.919 254 L HN 0.308 nan 8.230 nan 0.000 0.442 255 H N 0.089 119.129 119.070 -0.050 0.000 2.677 255 H HA -0.138 4.418 4.556 0.001 0.000 0.321 255 H C 0.381 175.692 175.328 -0.029 0.000 1.171 255 H CA 0.783 56.808 56.048 -0.037 0.000 1.139 255 H CB -1.453 28.293 29.762 -0.027 0.000 1.515 255 H HN 0.287 nan 8.280 nan 0.000 0.423 256 S N 0.893 116.608 115.700 0.025 0.000 2.449 256 S HA 0.235 4.706 4.470 0.001 0.000 0.310 256 S C 1.347 175.953 174.600 0.011 0.000 1.096 256 S CA -0.376 57.833 58.200 0.015 0.000 1.095 256 S CB 0.939 64.131 63.200 -0.013 0.000 1.007 256 S HN 0.563 nan 8.310 nan 0.000 0.474 257 N N 4.345 123.057 118.700 0.021 0.000 2.515 257 N HA 0.007 4.748 4.740 0.001 0.000 0.185 257 N C 1.061 176.576 175.510 0.008 0.000 1.109 257 N CA 0.907 53.969 53.050 0.020 0.000 0.903 257 N CB -0.275 38.230 38.487 0.029 0.000 0.969 257 N HN 0.555 nan 8.380 nan 0.000 0.450 258 A N 0.187 123.006 122.820 -0.000 0.000 2.251 258 A HA 0.355 4.676 4.320 0.001 0.000 0.209 258 A C 0.583 178.149 177.584 -0.031 0.000 1.187 258 A CA -0.241 51.791 52.037 -0.009 0.000 0.823 258 A CB -0.131 18.867 19.000 -0.004 0.000 0.846 258 A HN 0.284 nan 8.150 nan 0.000 0.486 259 I N 0.326 120.872 120.570 -0.040 0.000 2.418 259 I HA 0.319 4.489 4.170 0.001 0.000 0.287 259 I C -1.075 175.003 176.117 -0.064 0.000 1.008 259 I CA -0.779 60.483 61.300 -0.063 0.000 1.104 259 I CB 2.085 40.042 38.000 -0.072 0.000 1.264 259 I HN 0.040 nan 8.210 nan 0.000 0.438 260 L N 9.884 131.057 121.223 -0.082 0.000 2.313 260 L HA 0.603 4.943 4.340 0.001 0.000 0.273 260 L C -2.547 174.304 176.870 -0.031 0.000 1.028 260 L CA -1.897 52.908 54.840 -0.059 0.000 0.871 260 L CB 0.603 42.588 42.059 -0.123 0.000 1.242 260 L HN 0.224 nan 8.230 nan 0.000 0.434 261 P HA 0.295 nan 4.420 nan 0.000 0.271 261 P C -0.936 176.536 177.300 0.288 0.000 1.216 261 P CA 0.276 63.422 63.100 0.075 0.000 0.771 261 P CB 0.673 32.294 31.700 -0.131 0.000 0.864 262 I N 2.745 123.458 120.570 0.238 0.000 2.439 262 I HA 0.393 4.564 4.170 0.001 0.000 0.285 262 I C 0.437 176.568 176.117 0.023 0.000 1.021 262 I CA -0.799 60.564 61.300 0.105 0.000 1.091 262 I CB 2.045 40.054 38.000 0.016 0.000 1.242 262 I HN 0.156 nan 8.210 nan 0.000 0.439 263 R N 6.997 127.338 120.500 -0.266 0.000 2.265 263 R HA 0.654 4.994 4.340 0.001 0.000 0.319 263 R C -1.427 174.714 176.300 -0.265 0.000 1.006 263 R CA -0.546 55.333 56.100 -0.369 0.000 0.880 263 R CB 0.976 30.726 30.300 -0.917 0.000 1.077 263 R HN 0.616 nan 8.270 nan 0.000 0.454 264 L N 5.476 126.621 121.223 -0.130 0.000 2.298 264 L HA 0.429 4.769 4.340 0.001 0.000 0.284 264 L C -0.683 176.150 176.870 -0.062 0.000 1.013 264 L CA -0.777 54.011 54.840 -0.087 0.000 0.824 264 L CB 1.433 43.478 42.059 -0.023 0.000 1.221 264 L HN 0.767 nan 8.230 nan 0.000 0.418 265 D N 1.888 122.269 120.400 -0.032 0.000 2.744 265 D HA 0.876 5.517 4.640 0.001 0.000 0.304 265 D C -0.306 176.001 176.300 0.013 0.000 1.179 265 D CA -0.638 53.377 54.000 0.026 0.000 1.024 265 D CB 2.132 42.995 40.800 0.105 0.000 1.453 265 D HN 0.585 nan 8.370 nan 0.000 0.529 266 G N -2.309 106.503 108.800 0.021 0.000 2.315 266 G HA2 0.518 4.478 3.960 0.001 0.000 0.294 266 G HA3 0.518 4.478 3.960 0.001 0.000 0.294 266 G C -0.220 174.515 174.900 -0.276 0.000 1.300 266 G CA -0.004 44.946 45.100 -0.249 0.000 0.843 266 G HN 0.764 nan 8.290 nan 0.000 0.527 267 A N -0.819 121.764 122.820 -0.394 0.000 2.119 267 A HA 0.248 4.569 4.320 0.001 0.000 0.216 267 A C 2.385 179.767 177.584 -0.338 0.000 1.152 267 A CA 2.516 54.325 52.037 -0.380 0.000 0.708 267 A CB -0.934 17.960 19.000 -0.176 0.000 0.805 267 A HN 1.016 nan 8.150 nan 0.000 0.460 268 T N 0.493 114.844 114.554 -0.338 0.000 2.564 268 T HA -0.257 4.094 4.350 0.001 0.000 0.264 268 T C 1.878 176.157 174.700 -0.701 0.000 1.100 268 T CA 2.366 64.226 62.100 -0.401 0.000 1.171 268 T CB -0.183 68.521 68.868 -0.274 0.000 0.863 268 T HN 0.604 nan 8.240 nan 0.000 0.430 269 K N -0.137 119.911 120.400 -0.588 0.000 2.329 269 K HA 0.190 4.510 4.320 0.001 0.000 0.198 269 K C 2.494 178.735 176.600 -0.599 0.000 1.085 269 K CA 0.128 56.016 56.287 -0.665 0.000 0.961 269 K CB 0.200 32.308 32.500 -0.654 0.000 0.971 269 K HN 0.296 nan 8.250 nan 0.000 0.502 270 E N 0.144 120.137 120.200 -0.346 0.000 2.097 270 E HA -0.156 4.194 4.350 0.001 0.000 0.196 270 E C 0.608 177.380 176.600 0.286 0.000 1.000 270 E CA 1.107 57.454 56.400 -0.088 0.000 0.804 270 E CB 0.045 29.703 29.700 -0.070 0.000 0.740 270 E HN 0.192 nan 8.360 nan 0.000 0.454 271 F N -0.841 119.070 119.950 -0.065 0.000 2.639 271 F HA 0.232 4.760 4.527 0.001 0.000 0.302 271 F C -0.224 175.569 175.800 -0.011 0.000 1.097 271 F CA -0.935 57.134 58.000 0.114 0.000 1.294 271 F CB -0.479 38.620 39.000 0.164 0.000 1.027 271 F HN -0.130 nan 8.300 nan 0.000 0.550 272 F N 0.247 119.949 119.950 -0.414 0.000 2.983 272 F HA -0.215 4.313 4.527 0.001 0.000 0.288 272 F C 0.593 175.728 175.800 -1.109 0.000 0.980 272 F CA 0.464 57.899 58.000 -0.942 0.000 0.965 272 F CB -1.555 37.222 39.000 -0.372 0.000 0.967 272 F HN 0.066 nan 8.300 nan 0.000 0.800 273 A N -0.664 121.534 122.820 -1.036 0.000 3.234 273 A HA 0.338 4.659 4.320 0.001 0.000 0.247 273 A C 0.956 178.308 177.584 -0.386 0.000 0.938 273 A CA -0.665 50.935 52.037 -0.728 0.000 1.039 273 A CB -0.114 18.297 19.000 -0.982 0.000 1.197 273 A HN 0.531 nan 8.150 nan 0.000 0.498 274 W N 0.236 121.531 121.300 -0.007 0.000 2.335 274 W HA -0.146 4.514 4.660 0.001 0.000 0.311 274 W C 1.887 178.449 176.519 0.073 0.000 1.213 274 W CA 1.705 59.057 57.345 0.011 0.000 1.274 274 W CB -0.665 28.810 29.460 0.024 0.000 1.148 274 W HN 0.669 nan 8.180 nan 0.000 0.498 275 G N -1.138 107.902 108.800 0.400 0.000 2.920 275 G HA2 -0.107 3.854 3.960 0.001 0.000 0.208 275 G HA3 -0.107 3.854 3.960 0.001 0.000 0.208 275 G C 1.104 176.198 174.900 0.323 0.000 1.159 275 G CA -0.189 45.098 45.100 0.312 0.000 0.784 275 G HN 0.012 nan 8.290 nan 0.000 0.535 276 F N 0.949 120.925 119.950 0.043 0.000 2.234 276 F HA 0.111 4.638 4.527 0.001 0.000 0.299 276 F C 1.361 177.134 175.800 -0.045 0.000 1.087 276 F CA 0.399 58.400 58.000 0.000 0.000 1.340 276 F CB 0.180 39.175 39.000 -0.008 0.000 1.031 276 F HN 0.037 nan 8.300 nan 0.000 0.500 277 R N -0.486 120.090 120.500 0.126 0.000 3.332 277 R HA -0.135 4.205 4.340 0.001 0.000 0.263 277 R C -1.331 174.917 176.300 -0.085 0.000 1.053 277 R CA 0.139 56.239 56.100 -0.001 0.000 0.705 277 R CB -3.010 27.280 30.300 -0.016 0.000 1.166 277 R HN 0.079 nan 8.270 nan 0.000 0.427 278 V N -0.318 119.522 119.914 -0.124 0.000 2.350 278 V HA 0.847 4.968 4.120 0.001 0.000 0.285 278 V C 1.039 176.815 176.094 -0.531 0.000 1.014 278 V CA 0.069 62.177 62.300 -0.321 0.000 0.831 278 V CB 2.010 33.711 31.823 -0.203 0.000 1.000 278 V HN 0.544 nan 8.190 nan 0.000 0.433 279 G N 3.246 111.592 108.800 -0.756 0.000 2.866 279 G HA2 0.856 4.816 3.960 0.001 0.000 0.289 279 G HA3 0.856 4.816 3.960 0.001 0.000 0.289 279 G C -1.822 172.328 174.900 -1.250 0.000 1.396 279 G CA -0.573 44.047 45.100 -0.800 0.000 0.848 279 G HN 0.350 nan 8.290 nan 0.000 0.515 280 F N -0.699 118.993 119.950 -0.431 0.000 2.619 280 F HA 0.644 5.171 4.527 0.001 0.000 0.308 280 F C -0.043 175.585 175.800 -0.287 0.000 1.097 280 F CA -0.738 57.029 58.000 -0.388 0.000 0.953 280 F CB 2.829 41.503 39.000 -0.543 0.000 1.287 280 F HN 0.419 nan 8.300 nan 0.000 0.446 281 M N 2.583 122.121 119.600 -0.105 0.000 2.190 281 M HA 0.615 5.096 4.480 0.001 0.000 0.312 281 M C -1.647 174.451 176.300 -0.337 0.000 0.990 281 M CA 0.053 55.203 55.300 -0.250 0.000 0.927 281 M CB 1.526 33.962 32.600 -0.272 0.000 1.571 281 M HN 0.688 nan 8.290 nan 0.000 0.427 282 T N 4.785 119.061 114.554 -0.463 0.000 2.848 282 T HA 0.594 4.945 4.350 0.001 0.000 0.285 282 T C -1.160 173.279 174.700 -0.434 0.000 0.995 282 T CA -0.281 61.572 62.100 -0.413 0.000 0.970 282 T CB 0.851 69.470 68.868 -0.415 0.000 0.976 282 T HN 0.421 nan 8.240 nan 0.000 0.441 283 F N 1.253 121.300 119.950 0.162 0.000 2.421 283 F HA 0.571 5.099 4.527 0.002 0.000 0.337 283 F C 1.158 177.190 175.800 0.386 0.000 1.105 283 F CA -0.870 57.290 58.000 0.266 0.000 1.049 283 F CB 1.169 40.278 39.000 0.182 0.000 1.139 283 F HN 0.676 nan 8.300 nan 0.000 0.479 284 G N 1.404 110.505 108.800 0.501 0.000 2.546 284 G HA2 0.462 4.423 3.960 0.001 0.000 0.320 284 G HA3 0.462 4.423 3.960 0.001 0.000 0.320 284 G C -0.634 174.317 174.900 0.085 0.000 0.984 284 G CA -0.158 44.999 45.100 0.094 0.000 1.183 284 G HN 0.672 nan 8.290 nan 0.000 0.443 285 T N -0.203 114.426 114.554 0.124 0.000 2.942 285 T HA 0.429 4.780 4.350 0.001 0.000 0.327 285 T C 0.922 175.685 174.700 0.104 0.000 1.360 285 T CA 0.148 62.308 62.100 0.101 0.000 1.055 285 T CB 1.416 70.350 68.868 0.109 0.000 1.261 285 T HN 0.620 nan 8.240 nan 0.000 0.485 286 S N 1.863 117.620 115.700 0.096 0.000 2.540 286 S HA 0.262 4.733 4.470 0.001 0.000 0.218 286 S C 0.085 174.725 174.600 0.067 0.000 0.977 286 S CA -0.185 58.069 58.200 0.090 0.000 0.918 286 S CB -0.093 63.167 63.200 0.101 0.000 0.806 286 S HN 0.691 nan 8.310 nan 0.000 0.496 287 D N 1.331 121.769 120.400 0.064 0.000 2.317 287 D HA 0.327 4.967 4.640 0.001 0.000 0.234 287 D C 1.036 177.366 176.300 0.049 0.000 1.112 287 D CA -0.343 53.687 54.000 0.049 0.000 0.840 287 D CB 1.508 42.334 40.800 0.044 0.000 1.078 287 D HN 0.016 nan 8.370 nan 0.000 0.486 288 Q N 2.036 121.861 119.800 0.042 0.000 2.061 288 Q HA -0.150 4.191 4.340 0.001 0.000 0.204 288 Q C 1.489 177.511 176.000 0.037 0.000 0.984 288 Q CA 2.029 57.857 55.803 0.042 0.000 0.846 288 Q CB -0.387 28.372 28.738 0.035 0.000 0.902 288 Q HN 0.617 nan 8.270 nan 0.000 0.421 289 T N -0.202 114.370 114.554 0.030 0.000 2.720 289 T HA -0.151 4.199 4.350 0.001 0.000 0.268 289 T C 1.710 176.424 174.700 0.023 0.000 1.037 289 T CA 1.788 63.903 62.100 0.025 0.000 1.144 289 T CB -0.630 68.250 68.868 0.020 0.000 0.864 289 T HN 0.426 nan 8.240 nan 0.000 0.444 290 T N 2.110 116.679 114.554 0.024 0.000 2.684 290 T HA -0.112 4.238 4.350 0.001 0.000 0.267 290 T C 2.019 176.709 174.700 -0.017 0.000 1.036 290 T CA 1.231 63.335 62.100 0.007 0.000 1.148 290 T CB -0.229 68.650 68.868 0.018 0.000 0.863 290 T HN 0.456 nan 8.240 nan 0.000 0.436 291 K N 0.911 121.325 120.400 0.023 0.000 2.032 291 K HA -0.147 4.173 4.320 0.001 0.000 0.209 291 K C 2.470 179.090 176.600 0.034 0.000 1.048 291 K CA 1.579 57.896 56.287 0.050 0.000 0.927 291 K CB -0.144 32.407 32.500 0.087 0.000 0.712 291 K HN 0.487 nan 8.250 nan 0.000 0.441 292 E N 0.288 120.506 120.200 0.030 0.000 2.072 292 E HA -0.130 4.220 4.350 0.001 0.000 0.190 292 E C 2.107 178.719 176.600 0.021 0.000 0.982 292 E CA 1.016 57.434 56.400 0.030 0.000 0.803 292 E CB 0.064 29.784 29.700 0.034 0.000 0.755 292 E HN 0.030 nan 8.360 nan 0.000 0.453 293 V N 1.588 121.509 119.914 0.012 0.000 2.307 293 V HA -0.226 3.895 4.120 0.001 0.000 0.245 293 V C 2.296 178.379 176.094 -0.019 0.000 1.045 293 V CA 1.348 63.657 62.300 0.016 0.000 1.024 293 V CB -0.379 31.461 31.823 0.028 0.000 0.651 293 V HN 0.264 nan 8.190 nan 0.000 0.449 294 L N -0.123 121.045 121.223 -0.092 0.000 2.046 294 L HA -0.217 4.124 4.340 0.001 0.000 0.208 294 L C 2.581 179.410 176.870 -0.067 0.000 1.077 294 L CA 2.060 56.777 54.840 -0.205 0.000 0.747 294 L CB -0.577 41.114 42.059 -0.613 0.000 0.896 294 L HN 0.451 nan 8.230 nan 0.000 0.432 295 E N 0.446 120.648 120.200 0.003 0.000 2.077 295 E HA -0.238 4.112 4.350 0.001 0.000 0.193 295 E C 2.232 178.821 176.600 -0.018 0.000 0.989 295 E CA 1.233 57.660 56.400 0.043 0.000 0.800 295 E CB 0.009 29.737 29.700 0.045 0.000 0.746 295 E HN 0.432 nan 8.360 nan 0.000 0.452 296 A N 1.294 124.111 122.820 -0.006 0.000 1.883 296 A HA -0.238 4.083 4.320 0.001 0.000 0.217 296 A C 2.063 179.666 177.584 0.032 0.000 1.186 296 A CA 1.901 53.949 52.037 0.017 0.000 0.624 296 A CB -0.439 18.616 19.000 0.092 0.000 0.822 296 A HN 0.175 nan 8.150 nan 0.000 0.444 297 K N -0.550 119.865 120.400 0.025 0.000 2.057 297 K HA -0.058 4.263 4.320 0.001 0.000 0.207 297 K C 1.871 178.462 176.600 -0.016 0.000 1.049 297 K CA 1.367 57.660 56.287 0.010 0.000 0.931 297 K CB -0.359 32.125 32.500 -0.026 0.000 0.714 297 K HN 0.312 nan 8.250 nan 0.000 0.440 298 V N 1.861 121.769 119.914 -0.009 0.000 2.343 298 V HA -0.254 3.867 4.120 0.001 0.000 0.247 298 V C 2.005 178.074 176.094 -0.041 0.000 1.051 298 V CA 1.699 63.998 62.300 -0.002 0.000 1.036 298 V CB -0.385 31.483 31.823 0.074 0.000 0.654 298 V HN 0.286 nan 8.190 nan 0.000 0.451 299 K N 0.339 120.682 120.400 -0.096 0.000 2.063 299 K HA -0.137 4.183 4.320 0.001 0.000 0.208 299 K C 2.257 178.852 176.600 -0.009 0.000 1.048 299 K CA 1.593 57.760 56.287 -0.199 0.000 0.928 299 K CB -0.714 31.410 32.500 -0.627 0.000 0.713 299 K HN 0.554 nan 8.250 nan 0.000 0.442 300 G N 1.208 110.052 108.800 0.072 0.000 2.418 300 G HA2 -0.223 3.737 3.960 0.001 0.000 0.217 300 G HA3 -0.223 3.737 3.960 0.001 0.000 0.217 300 G C 1.478 176.368 174.900 -0.017 0.000 1.158 300 G CA 0.583 45.713 45.100 0.050 0.000 0.771 300 G HN 0.093 nan 8.290 nan 0.000 0.545 301 L N -0.023 121.189 121.223 -0.019 0.000 2.046 301 L HA -0.037 4.303 4.340 0.001 0.000 0.208 301 L C 2.850 179.734 176.870 0.023 0.000 1.077 301 L CA 0.786 55.619 54.840 -0.012 0.000 0.747 301 L CB -0.305 41.740 42.059 -0.022 0.000 0.896 301 L HN 0.214 nan 8.230 nan 0.000 0.432 302 I N -0.721 119.867 120.570 0.030 0.000 2.233 302 I HA -0.251 3.919 4.170 0.001 0.000 0.243 302 I C 2.764 178.914 176.117 0.054 0.000 1.093 302 I CA 0.756 62.105 61.300 0.081 0.000 1.380 302 I CB -0.211 37.827 38.000 0.063 0.000 1.067 302 I HN 0.190 nan 8.210 nan 0.000 0.413 303 R N 1.666 122.193 120.500 0.045 0.000 2.105 303 R HA -0.172 4.168 4.340 0.001 0.000 0.239 303 R C 2.161 178.455 176.300 -0.011 0.000 1.135 303 R CA 2.198 58.317 56.100 0.033 0.000 0.967 303 R CB -0.657 29.701 30.300 0.096 0.000 0.861 303 R HN 0.445 nan 8.270 nan 0.000 0.442 304 S N -1.384 114.305 115.700 -0.019 0.000 2.593 304 S HA 0.070 4.540 4.470 0.001 0.000 0.217 304 S C 1.279 175.870 174.600 -0.015 0.000 0.966 304 S CA 0.389 58.569 58.200 -0.034 0.000 0.914 304 S CB -0.349 62.818 63.200 -0.055 0.000 0.776 304 S HN 0.597 nan 8.310 nan 0.000 0.523 305 N N 1.155 119.856 118.700 0.002 0.000 3.046 305 N HA 0.210 4.950 4.740 0.001 0.000 0.240 305 N C 1.397 176.893 175.510 -0.024 0.000 1.017 305 N CA 0.759 53.812 53.050 0.004 0.000 1.126 305 N CB 0.272 38.792 38.487 0.055 0.000 1.642 305 N HN 0.483 nan 8.380 nan 0.000 0.548 306 I N -2.719 117.833 120.570 -0.029 0.000 4.154 306 I HA 0.433 4.603 4.170 0.001 0.000 0.334 306 I C 1.040 177.139 176.117 -0.029 0.000 1.371 306 I CA -0.193 61.071 61.300 -0.060 0.000 1.110 306 I CB 1.011 38.922 38.000 -0.148 0.000 1.085 306 I HN 0.183 nan 8.210 nan 0.000 0.398 307 S N 1.418 117.108 115.700 -0.017 0.000 1.577 307 S HA -0.254 4.216 4.470 0.001 0.000 0.240 307 S C 0.584 175.176 174.600 -0.013 0.000 0.755 307 S CA 1.766 59.949 58.200 -0.028 0.000 1.398 307 S CB -1.588 61.577 63.200 -0.057 0.000 1.552 307 S HN 1.193 nan 8.310 nan 0.000 0.510 308 S N -0.297 115.405 115.700 0.002 0.000 2.611 308 S HA 0.699 5.169 4.470 0.001 0.000 0.268 308 S C -0.070 174.531 174.600 0.002 0.000 1.156 308 S CA -0.098 58.111 58.200 0.016 0.000 0.817 308 S CB 1.061 64.287 63.200 0.045 0.000 1.122 308 S HN 1.543 nan 8.310 nan 0.000 0.466 309 G N 0.213 109.004 108.800 -0.016 0.000 2.535 309 G HA2 0.703 4.664 3.960 0.001 0.000 0.303 309 G HA3 0.703 4.664 3.960 0.001 0.000 0.303 309 G C -2.854 172.016 174.900 -0.050 0.000 1.237 309 G CA -1.935 43.135 45.100 -0.050 0.000 0.986 309 G HN 0.640 nan 8.290 nan 0.000 0.494 310 P HA 0.075 nan 4.420 nan 0.000 0.271 310 P C 0.748 177.975 177.300 -0.121 0.000 1.233 310 P CA -0.474 62.567 63.100 -0.098 0.000 0.764 310 P CB 1.634 33.265 31.700 -0.115 0.000 0.825 311 L N 7.358 128.501 121.223 -0.133 0.000 2.027 311 L HA -0.011 4.330 4.340 0.001 0.000 0.206 311 L C -0.881 175.855 176.870 -0.222 0.000 1.074 311 L CA 2.275 57.023 54.840 -0.153 0.000 0.745 311 L CB -2.069 39.895 42.059 -0.159 0.000 0.898 311 L HN 0.253 nan 8.230 nan 0.000 0.433 312 P HA -0.142 nan 4.420 nan 0.000 0.216 312 P C 1.567 178.687 177.300 -0.301 0.000 1.150 312 P CA 2.325 65.175 63.100 -0.415 0.000 0.837 312 P CB -0.374 31.022 31.700 -0.507 0.000 0.786 313 T N -3.867 110.515 114.554 -0.288 0.000 2.978 313 T HA -0.063 4.287 4.350 0.001 0.000 0.262 313 T C 1.903 176.568 174.700 -0.058 0.000 1.063 313 T CA 0.646 62.557 62.100 -0.315 0.000 1.140 313 T CB -0.914 67.675 68.868 -0.465 0.000 0.886 313 T HN 0.136 nan 8.240 nan 0.000 0.470 314 Q N 1.127 120.884 119.800 -0.073 0.000 2.061 314 Q HA -0.075 4.266 4.340 0.001 0.000 0.204 314 Q C 2.741 178.760 176.000 0.031 0.000 0.984 314 Q CA 1.814 57.606 55.803 -0.018 0.000 0.846 314 Q CB -0.291 28.417 28.738 -0.051 0.000 0.902 314 Q HN 0.543 nan 8.270 nan 0.000 0.421 315 S N 0.602 116.288 115.700 -0.023 0.000 2.383 315 S HA -0.139 4.332 4.470 0.001 0.000 0.227 315 S C 2.033 176.683 174.600 0.083 0.000 1.026 315 S CA 0.924 59.139 58.200 0.026 0.000 0.981 315 S CB -0.247 62.907 63.200 -0.077 0.000 0.818 315 S HN 0.491 nan 8.310 nan 0.000 0.472 316 A N 1.225 124.054 122.820 0.014 0.000 1.877 316 A HA -0.059 4.262 4.320 0.001 0.000 0.216 316 A C 2.338 180.017 177.584 0.158 0.000 1.186 316 A CA 1.595 53.673 52.037 0.067 0.000 0.620 316 A CB -0.921 18.153 19.000 0.123 0.000 0.822 316 A HN 0.346 nan 8.150 nan 0.000 0.443 317 V N 0.371 120.422 119.914 0.229 0.000 2.358 317 V HA -0.269 3.851 4.120 0.001 0.000 0.246 317 V C 2.517 178.745 176.094 0.224 0.000 1.047 317 V CA 2.307 64.769 62.300 0.271 0.000 1.035 317 V CB -0.713 31.317 31.823 0.345 0.000 0.658 317 V HN 0.691 nan 8.190 nan 0.000 0.452 318 K N -0.672 119.849 120.400 0.202 0.000 2.044 318 K HA -0.270 4.051 4.320 0.001 0.000 0.210 318 K C 2.231 178.884 176.600 0.088 0.000 1.049 318 K CA 2.050 58.429 56.287 0.154 0.000 0.927 318 K CB -0.318 32.257 32.500 0.125 0.000 0.713 318 K HN 0.589 nan 8.250 nan 0.000 0.443 319 H N -0.359 118.705 119.070 -0.010 0.000 2.321 319 H HA -0.108 4.449 4.556 0.001 0.000 0.300 319 H C 2.126 177.385 175.328 -0.114 0.000 1.087 319 H CA 1.898 57.917 56.048 -0.049 0.000 1.319 319 H CB 0.069 29.801 29.762 -0.051 0.000 1.379 319 H HN 0.266 nan 8.280 nan 0.000 0.501 320 V N -0.779 119.063 119.914 -0.120 0.000 3.217 320 V HA -0.066 4.055 4.120 0.001 0.000 0.264 320 V C 2.143 178.032 176.094 -0.341 0.000 1.135 320 V CA 0.832 62.847 62.300 -0.475 0.000 1.142 320 V CB -0.765 30.256 31.823 -1.336 0.000 0.754 320 V HN 0.186 nan 8.190 nan 0.000 0.484 321 L N -0.268 120.902 121.223 -0.088 0.000 2.478 321 L HA 0.118 4.458 4.340 0.001 0.000 0.223 321 L C 1.503 178.385 176.870 0.019 0.000 1.140 321 L CA 0.797 55.668 54.840 0.051 0.000 0.842 321 L CB -0.309 41.849 42.059 0.166 0.000 0.953 321 L HN 0.263 nan 8.230 nan 0.000 0.452 322 K N 1.358 121.747 120.400 -0.019 0.000 2.751 322 K HA 0.044 4.365 4.320 0.001 0.000 0.252 322 K C 0.057 176.652 176.600 -0.009 0.000 1.277 322 K CA -0.250 56.022 56.287 -0.025 0.000 1.226 322 K CB -0.406 32.056 32.500 -0.064 0.000 1.658 322 K HN 0.040 nan 8.250 nan 0.000 0.303 323 N N 2.410 121.116 118.700 0.010 0.000 2.699 323 N HA -0.219 4.521 4.740 0.001 0.000 0.256 323 N C -1.102 174.424 175.510 0.027 0.000 0.993 323 N CA 0.345 53.406 53.050 0.019 0.000 0.759 323 N CB -1.015 37.476 38.487 0.007 0.000 0.906 323 N HN 0.447 nan 8.380 nan 0.000 0.541 324 N N 1.299 120.028 118.700 0.047 0.000 2.469 324 N HA 0.095 4.836 4.740 0.001 0.000 0.239 324 N C 0.914 176.480 175.510 0.092 0.000 1.053 324 N CA -0.309 52.778 53.050 0.063 0.000 0.937 324 N CB 0.609 39.128 38.487 0.053 0.000 1.163 324 N HN 0.112 nan 8.380 nan 0.000 0.509 325 K N 2.394 122.825 120.400 0.051 0.000 2.097 325 K HA -0.176 4.145 4.320 0.001 0.000 0.206 325 K C 1.460 178.075 176.600 0.024 0.000 1.049 325 K CA 0.953 57.258 56.287 0.031 0.000 0.933 325 K CB -0.100 32.408 32.500 0.014 0.000 0.717 325 K HN 0.676 nan 8.250 nan 0.000 0.442 326 Q N -0.141 119.683 119.800 0.040 0.000 2.050 326 Q HA -0.160 4.181 4.340 0.001 0.000 0.202 326 Q C 2.068 178.086 176.000 0.030 0.000 0.980 326 Q CA 1.362 57.182 55.803 0.028 0.000 0.840 326 Q CB -0.198 28.563 28.738 0.039 0.000 0.898 326 Q HN 0.254 nan 8.270 nan 0.000 0.424 327 F N 1.816 121.719 119.950 -0.078 0.000 2.134 327 F HA -0.219 4.309 4.527 0.001 0.000 0.299 327 F C 1.534 177.251 175.800 -0.138 0.000 1.097 327 F CA 1.882 59.808 58.000 -0.124 0.000 1.264 327 F CB -0.288 38.620 39.000 -0.153 0.000 1.001 327 F HN 0.149 nan 8.300 nan 0.000 0.479 328 D N 0.693 121.015 120.400 -0.130 0.000 2.116 328 D HA -0.207 4.434 4.640 0.001 0.000 0.193 328 D C 2.185 178.348 176.300 -0.228 0.000 0.998 328 D CA 1.649 55.528 54.000 -0.203 0.000 0.836 328 D CB -0.372 40.400 40.800 -0.047 0.000 0.951 328 D HN 0.381 nan 8.370 nan 0.000 0.449 329 K N 0.400 120.707 120.400 -0.154 0.000 2.097 329 K HA -0.099 4.222 4.320 0.001 0.000 0.205 329 K C 2.155 178.647 176.600 -0.180 0.000 1.050 329 K CA 0.840 57.049 56.287 -0.129 0.000 0.938 329 K CB -0.024 32.429 32.500 -0.078 0.000 0.718 329 K HN 0.214 nan 8.250 nan 0.000 0.442 330 E N 0.690 120.749 120.200 -0.236 0.000 2.051 330 E HA -0.162 4.189 4.350 0.001 0.000 0.192 330 E C 1.996 178.367 176.600 -0.382 0.000 0.991 330 E CA 0.899 57.134 56.400 -0.275 0.000 0.799 330 E CB 0.020 29.566 29.700 -0.257 0.000 0.748 330 E HN 0.155 nan 8.360 nan 0.000 0.449 331 I N 1.488 121.749 120.570 -0.515 0.000 2.179 331 I HA -0.239 3.931 4.170 0.001 0.000 0.242 331 I C 2.120 178.101 176.117 -0.226 0.000 1.088 331 I CA 1.526 62.565 61.300 -0.436 0.000 1.357 331 I CB -1.057 36.638 38.000 -0.508 0.000 1.051 331 I HN 0.167 nan 8.210 nan 0.000 0.409 332 E N 0.368 120.456 120.200 -0.186 0.000 2.085 332 E HA -0.258 4.093 4.350 0.001 0.000 0.194 332 E C 2.213 178.764 176.600 -0.083 0.000 0.994 332 E CA 1.183 57.526 56.400 -0.094 0.000 0.801 332 E CB -0.126 29.526 29.700 -0.080 0.000 0.743 332 E HN 0.556 nan 8.360 nan 0.000 0.453 333 Q N 0.359 120.083 119.800 -0.126 0.000 2.050 333 Q HA -0.168 4.173 4.340 0.001 0.000 0.202 333 Q C 2.031 177.957 176.000 -0.122 0.000 0.980 333 Q CA 1.264 57.001 55.803 -0.111 0.000 0.840 333 Q CB -0.072 28.591 28.738 -0.125 0.000 0.898 333 Q HN 0.199 nan 8.270 nan 0.000 0.424 334 N N 0.588 119.149 118.700 -0.232 0.000 2.120 334 N HA -0.125 4.616 4.740 0.001 0.000 0.188 334 N C 1.717 177.214 175.510 -0.021 0.000 1.024 334 N CA 1.105 53.971 53.050 -0.307 0.000 0.852 334 N CB -0.202 37.697 38.487 -0.980 0.000 1.003 334 N HN 0.255 nan 8.380 nan 0.000 0.424 335 I N 0.480 121.096 120.570 0.077 0.000 2.315 335 I HA -0.249 3.921 4.170 0.001 0.000 0.248 335 I C 2.356 178.571 176.117 0.162 0.000 1.117 335 I CA 0.880 62.322 61.300 0.235 0.000 1.404 335 I CB -0.200 37.924 38.000 0.206 0.000 1.071 335 I HN 0.104 nan 8.210 nan 0.000 0.419 336 Q N 1.004 120.846 119.800 0.070 0.000 2.124 336 Q HA -0.177 4.163 4.340 0.001 0.000 0.202 336 Q C 2.064 178.074 176.000 0.016 0.000 0.977 336 Q CA 2.292 58.118 55.803 0.039 0.000 0.850 336 Q CB -0.493 28.251 28.738 0.009 0.000 0.901 336 Q HN 0.360 nan 8.270 nan 0.000 0.429 337 T N 0.746 115.310 114.554 0.016 0.000 2.708 337 T HA -0.101 4.249 4.350 0.001 0.000 0.266 337 T C 1.662 176.380 174.700 0.031 0.000 1.037 337 T CA 1.417 63.527 62.100 0.016 0.000 1.146 337 T CB -0.254 68.621 68.868 0.011 0.000 0.865 337 T HN 0.246 nan 8.240 nan 0.000 0.435 338 L N 0.637 121.907 121.223 0.078 0.000 2.046 338 L HA -0.103 4.238 4.340 0.001 0.000 0.208 338 L C 2.677 179.402 176.870 -0.241 0.000 1.077 338 L CA 1.413 56.306 54.840 0.089 0.000 0.747 338 L CB -0.483 41.750 42.059 0.290 0.000 0.896 338 L HN 0.222 nan 8.230 nan 0.000 0.432 339 K N 0.534 120.705 120.400 -0.382 0.000 2.057 339 K HA -0.215 4.105 4.320 0.001 0.000 0.207 339 K C 1.924 178.412 176.600 -0.186 0.000 1.049 339 K CA 1.613 57.576 56.287 -0.541 0.000 0.931 339 K CB 0.033 32.468 32.500 -0.108 0.000 0.714 339 K HN 0.332 nan 8.250 nan 0.000 0.440 340 E N -0.079 120.066 120.200 -0.093 0.000 2.106 340 E HA -0.160 4.190 4.350 0.001 0.000 0.192 340 E C 2.175 178.727 176.600 -0.080 0.000 0.984 340 E CA 0.987 57.353 56.400 -0.057 0.000 0.806 340 E CB 0.055 29.738 29.700 -0.028 0.000 0.750 340 E HN 0.278 nan 8.360 nan 0.000 0.458 341 R N -0.001 120.459 120.500 -0.067 0.000 2.081 341 R HA -0.171 4.169 4.340 0.001 0.000 0.235 341 R C 2.374 178.524 176.300 -0.249 0.000 1.131 341 R CA 1.500 57.566 56.100 -0.056 0.000 0.960 341 R CB -0.497 29.865 30.300 0.103 0.000 0.856 341 R HN 0.271 nan 8.270 nan 0.000 0.436 342 Y N 2.217 122.180 120.300 -0.561 0.000 2.151 342 Y HA -0.260 4.290 4.550 0.001 0.000 0.284 342 Y C 1.740 177.459 175.900 -0.302 0.000 1.166 342 Y CA 1.758 59.420 58.100 -0.731 0.000 1.163 342 Y CB -0.189 37.855 38.460 -0.695 0.000 0.974 342 Y HN 0.059 nan 8.280 nan 0.000 0.511 343 E N -0.474 119.460 120.200 -0.444 0.000 2.077 343 E HA -0.173 4.178 4.350 0.001 0.000 0.193 343 E C 2.230 178.648 176.600 -0.302 0.000 0.989 343 E CA 1.663 57.815 56.400 -0.413 0.000 0.800 343 E CB -0.216 29.395 29.700 -0.149 0.000 0.746 343 E HN 0.388 nan 8.360 nan 0.000 0.452 344 V N 0.927 120.717 119.914 -0.206 0.000 2.358 344 V HA -0.230 3.891 4.120 0.001 0.000 0.246 344 V C 2.240 178.241 176.094 -0.156 0.000 1.047 344 V CA 2.041 64.265 62.300 -0.125 0.000 1.035 344 V CB -0.649 31.139 31.823 -0.058 0.000 0.658 344 V HN 0.333 nan 8.190 nan 0.000 0.452 345 T N -0.306 114.114 114.554 -0.222 0.000 2.746 345 T HA -0.261 4.090 4.350 0.001 0.000 0.267 345 T C 1.950 176.538 174.700 -0.187 0.000 1.039 345 T CA 1.899 63.837 62.100 -0.271 0.000 1.142 345 T CB -0.212 68.492 68.868 -0.274 0.000 0.866 345 T HN 0.460 nan 8.240 nan 0.000 0.444 346 K N 0.709 121.031 120.400 -0.130 0.000 2.057 346 K HA -0.142 4.178 4.320 0.001 0.000 0.207 346 K C 2.230 178.882 176.600 0.087 0.000 1.049 346 K CA 1.177 57.474 56.287 0.016 0.000 0.931 346 K CB 0.053 32.312 32.500 -0.401 0.000 0.714 346 K HN 0.134 nan 8.250 nan 0.000 0.440 347 E N 0.259 120.438 120.200 -0.034 0.000 2.106 347 E HA -0.114 4.237 4.350 0.001 0.000 0.192 347 E C 2.070 178.709 176.600 0.066 0.000 0.984 347 E CA 0.899 57.312 56.400 0.021 0.000 0.806 347 E CB -0.011 29.680 29.700 -0.015 0.000 0.750 347 E HN 0.159 nan 8.360 nan 0.000 0.458 348 V N 1.212 121.122 119.914 -0.007 0.000 2.379 348 V HA -0.159 3.962 4.120 0.001 0.000 0.243 348 V C 2.640 178.764 176.094 0.050 0.000 1.035 348 V CA 1.456 63.774 62.300 0.030 0.000 1.035 348 V CB -0.527 31.242 31.823 -0.089 0.000 0.673 348 V HN 0.196 nan 8.190 nan 0.000 0.457 349 V N -2.179 117.594 119.914 -0.235 0.000 2.594 349 V HA -0.210 3.910 4.120 0.001 0.000 0.253 349 V C 1.966 178.101 176.094 0.068 0.000 1.069 349 V CA 1.767 63.936 62.300 -0.219 0.000 1.082 349 V CB -1.147 30.293 31.823 -0.639 0.000 0.680 349 V HN 0.554 nan 8.190 nan 0.000 0.469 350 Y N 1.317 121.754 120.300 0.228 0.000 2.468 350 Y HA 0.722 5.273 4.550 0.001 0.000 0.268 350 Y C 1.605 177.617 175.900 0.186 0.000 1.177 350 Y CA -0.423 57.807 58.100 0.216 0.000 1.265 350 Y CB -0.613 37.933 38.460 0.143 0.000 1.103 350 Y HN 0.325 nan 8.280 nan 0.000 0.522 351 A N 0.296 123.302 122.820 0.311 0.000 2.477 351 A HA 0.027 4.348 4.320 0.001 0.000 0.246 351 A C 1.045 178.683 177.584 0.091 0.000 1.078 351 A CA -0.187 51.954 52.037 0.173 0.000 0.770 351 A CB 0.199 19.274 19.000 0.124 0.000 1.011 351 A HN 0.335 nan 8.150 nan 0.000 0.494 352 D N 0.985 121.409 120.400 0.040 0.000 2.158 352 D HA -0.240 4.401 4.640 0.001 0.000 0.197 352 D C 2.162 178.430 176.300 -0.054 0.000 0.995 352 D CA 2.144 56.160 54.000 0.025 0.000 0.846 352 D CB -0.156 40.636 40.800 -0.013 0.000 0.941 352 D HN 0.886 nan 8.370 nan 0.000 0.456 353 Q N -0.587 119.079 119.800 -0.223 0.000 2.364 353 Q HA -0.179 4.162 4.340 0.001 0.000 0.209 353 Q C 0.967 176.756 176.000 -0.351 0.000 0.977 353 Q CA 1.215 56.809 55.803 -0.348 0.000 0.885 353 Q CB -0.482 27.928 28.738 -0.546 0.000 0.941 353 Q HN 0.471 nan 8.270 nan 0.000 0.464 354 Y N -1.144 119.096 120.300 -0.101 0.000 2.507 354 Y HA 0.179 4.730 4.550 0.001 0.000 0.254 354 Y C 1.552 177.241 175.900 -0.351 0.000 1.171 354 Y CA -0.337 57.554 58.100 -0.348 0.000 1.238 354 Y CB 0.229 38.127 38.460 -0.936 0.000 1.148 354 Y HN 0.255 nan 8.280 nan 0.000 0.525 355 H N 0.349 119.372 119.070 -0.079 0.000 2.421 355 H HA -0.127 4.430 4.556 0.001 0.000 0.298 355 H C 2.386 177.699 175.328 -0.025 0.000 1.087 355 H CA 1.620 57.644 56.048 -0.041 0.000 1.330 355 H CB 0.257 30.017 29.762 -0.003 0.000 1.388 355 H HN 0.442 nan 8.280 nan 0.000 0.526 356 S N -1.073 114.654 115.700 0.044 0.000 2.522 356 S HA -0.080 4.391 4.470 0.001 0.000 0.227 356 S C 1.555 176.080 174.600 -0.125 0.000 0.986 356 S CA 0.871 59.021 58.200 -0.083 0.000 0.929 356 S CB -0.324 62.747 63.200 -0.215 0.000 0.769 356 S HN 0.554 nan 8.310 nan 0.000 0.529 357 H N -1.065 117.948 119.070 -0.095 0.000 2.451 357 H HA 0.327 4.884 4.556 0.001 0.000 0.294 357 H C 0.215 175.538 175.328 -0.008 0.000 1.028 357 H CA 1.208 57.184 56.048 -0.121 0.000 1.349 357 H CB 0.230 29.737 29.762 -0.424 0.000 1.444 357 H HN 0.829 nan 8.280 nan 0.000 0.538 358 W N -1.081 120.251 121.300 0.053 0.000 2.937 358 W HA 0.470 5.131 4.660 0.001 0.000 0.360 358 W C -1.815 174.489 176.519 -0.359 0.000 1.215 358 W CA -1.320 55.810 57.345 -0.359 0.000 1.183 358 W CB 0.897 30.241 29.460 -0.195 0.000 1.458 358 W HN -0.246 nan 8.180 nan 0.000 0.574 359 Q N 1.916 121.663 119.800 -0.088 0.000 2.320 359 Q HA 0.648 4.988 4.340 0.001 0.000 0.268 359 Q C -0.633 175.285 176.000 -0.136 0.000 1.023 359 Q CA -0.649 55.123 55.803 -0.052 0.000 0.744 359 Q CB 1.779 30.458 28.738 -0.099 0.000 1.246 359 Q HN 0.829 nan 8.270 nan 0.000 0.462 360 A N 3.603 126.399 122.820 -0.041 0.000 2.425 360 A HA 0.291 4.612 4.320 0.001 0.000 0.249 360 A C -1.070 176.441 177.584 -0.122 0.000 1.084 360 A CA -0.011 51.947 52.037 -0.133 0.000 0.781 360 A CB 0.102 18.975 19.000 -0.212 0.000 1.019 360 A HN 0.725 nan 8.150 nan 0.000 0.490 361 Y N 1.157 121.423 120.300 -0.056 0.000 2.346 361 Y HA 0.153 4.704 4.550 0.001 0.000 0.330 361 Y C 0.645 176.655 175.900 0.183 0.000 1.178 361 Y CA -0.043 57.939 58.100 -0.196 0.000 1.331 361 Y CB 0.473 38.458 38.460 -0.792 0.000 1.253 361 Y HN 0.636 nan 8.280 nan 0.000 0.529 362 D N 3.189 123.869 120.400 0.468 0.000 2.525 362 D HA 0.072 4.713 4.640 0.001 0.000 0.235 362 D C -0.632 176.164 176.300 0.826 0.000 1.137 362 D CA 0.935 55.314 54.000 0.632 0.000 0.868 362 D CB -0.069 41.055 40.800 0.541 0.000 1.180 362 D HN 0.421 nan 8.370 nan 0.000 0.465 363 F N -0.414 119.880 119.950 0.574 0.000 2.619 363 F HA 0.512 5.039 4.527 0.001 0.000 0.308 363 F C -0.140 175.962 175.800 0.503 0.000 1.097 363 F CA -1.122 57.210 58.000 0.554 0.000 0.953 363 F CB 1.380 40.682 39.000 0.504 0.000 1.287 363 F HN 0.156 nan 8.300 nan 0.000 0.446 364 N N -0.164 118.712 118.700 0.294 0.000 2.127 364 N HA 0.288 5.029 4.740 0.001 0.000 0.229 364 N C -1.298 174.031 175.510 -0.302 0.000 1.374 364 N CA 0.251 53.221 53.050 -0.133 0.000 0.763 364 N CB 0.276 38.689 38.487 -0.123 0.000 1.269 364 N HN 0.946 nan 8.380 nan 0.000 0.516 365 S N -2.558 113.108 115.700 -0.056 0.000 2.643 365 S HA 0.771 5.241 4.470 0.001 0.000 0.266 365 S C 0.310 174.940 174.600 0.050 0.000 1.130 365 S CA -0.262 57.712 58.200 -0.377 0.000 0.817 365 S CB 1.291 64.365 63.200 -0.211 0.000 1.107 365 S HN 1.251 nan 8.310 nan 0.000 0.471 366 G N 0.746 109.464 108.800 -0.136 0.000 2.539 366 G HA2 -0.195 3.765 3.960 0.001 0.000 0.256 366 G HA3 -0.195 3.765 3.960 0.001 0.000 0.256 366 G C -0.116 174.871 174.900 0.146 0.000 1.233 366 G CA 0.686 45.741 45.100 -0.075 0.000 0.936 366 G HN 1.214 nan 8.290 nan 0.000 0.571 367 Y N -0.252 119.663 120.300 -0.642 0.000 2.535 367 Y HA 0.529 5.080 4.550 0.001 0.000 0.266 367 Y C 1.166 176.103 175.900 -1.605 0.000 1.088 367 Y CA -0.139 57.271 58.100 -1.150 0.000 1.285 367 Y CB 0.231 37.739 38.460 -1.587 0.000 1.166 367 Y HN 0.339 nan 8.280 nan 0.000 0.525 368 F N 0.036 119.699 119.950 -0.478 0.000 2.611 368 F HA 0.597 5.125 4.527 0.001 0.000 0.324 368 F C -0.207 175.627 175.800 0.056 0.000 1.061 368 F CA -1.478 56.350 58.000 -0.287 0.000 0.954 368 F CB 1.557 40.459 39.000 -0.163 0.000 1.301 368 F HN -0.263 nan 8.300 nan 0.000 0.482 369 M N 1.051 120.801 119.600 0.250 0.000 2.618 369 M HA 0.968 5.448 4.480 0.001 0.000 0.281 369 M C -1.600 174.679 176.300 -0.035 0.000 1.267 369 M CA -0.973 54.347 55.300 0.034 0.000 0.845 369 M CB 1.888 34.133 32.600 -0.592 0.000 1.732 369 M HN 0.605 nan 8.290 nan 0.000 0.461 370 A N 1.681 124.468 122.820 -0.056 0.000 2.401 370 A HA 0.979 5.300 4.320 0.001 0.000 0.310 370 A C -0.905 176.707 177.584 0.048 0.000 1.075 370 A CA -0.869 51.154 52.037 -0.024 0.000 0.746 370 A CB 1.076 20.030 19.000 -0.077 0.000 1.277 370 A HN 1.345 nan 8.150 nan 0.000 0.425 371 I N -1.432 119.132 120.570 -0.010 0.000 2.608 371 I HA 0.595 4.766 4.170 0.001 0.000 0.295 371 I C -0.432 175.694 176.117 0.015 0.000 1.049 371 I CA -0.830 60.406 61.300 -0.107 0.000 1.063 371 I CB 2.129 39.883 38.000 -0.410 0.000 1.248 371 I HN 0.577 nan 8.210 nan 0.000 0.424 372 K N 6.003 126.352 120.400 -0.085 0.000 2.284 372 K HA 0.426 4.747 4.320 0.001 0.000 0.287 372 K C -0.493 176.025 176.600 -0.137 0.000 1.081 372 K CA -0.622 55.640 56.287 -0.040 0.000 0.910 372 K CB 1.084 33.505 32.500 -0.131 0.000 1.088 372 K HN 0.694 nan 8.250 nan 0.000 0.478 373 V N 2.579 122.470 119.914 -0.038 0.000 2.530 373 V HA 0.242 4.363 4.120 0.001 0.000 0.282 373 V C -0.106 175.982 176.094 -0.011 0.000 1.048 373 V CA -0.581 61.716 62.300 -0.004 0.000 0.997 373 V CB 0.697 32.559 31.823 0.065 0.000 0.987 373 V HN 0.647 nan 8.190 nan 0.000 0.477 374 H N 3.264 122.406 119.070 0.120 0.000 2.582 374 H HA 0.292 4.849 4.556 0.001 0.000 0.345 374 H C 0.546 175.902 175.328 0.046 0.000 1.104 374 H CA 0.478 56.562 56.048 0.060 0.000 1.390 374 H CB 1.248 31.024 29.762 0.024 0.000 1.461 374 H HN 1.012 nan 8.280 nan 0.000 0.551 375 D N -0.368 120.135 120.400 0.172 0.000 3.070 375 D HA -0.176 4.465 4.640 0.001 0.000 0.220 375 D C -0.216 176.128 176.300 0.073 0.000 1.176 375 D CA 1.397 55.452 54.000 0.092 0.000 0.924 375 D CB -1.161 39.675 40.800 0.060 0.000 1.124 375 D HN 0.374 nan 8.370 nan 0.000 0.411 376 V N -4.291 115.672 119.914 0.082 0.000 3.147 376 V HA 0.570 4.690 4.120 0.001 0.000 0.306 376 V C -0.387 175.740 176.094 0.055 0.000 1.209 376 V CA -1.186 61.151 62.300 0.062 0.000 1.023 376 V CB 2.642 34.507 31.823 0.069 0.000 1.059 376 V HN -0.111 nan 8.190 nan 0.000 0.435 377 D N 2.938 123.363 120.400 0.040 0.000 2.348 377 D HA 0.365 5.006 4.640 0.001 0.000 0.253 377 D C -1.766 174.553 176.300 0.032 0.000 1.161 377 D CA -1.510 52.510 54.000 0.033 0.000 0.876 377 D CB 2.280 43.095 40.800 0.024 0.000 1.160 377 D HN 0.405 nan 8.370 nan 0.000 0.459 378 P HA -0.130 nan 4.420 nan 0.000 0.219 378 P C 0.942 178.248 177.300 0.010 0.000 1.146 378 P CA 0.860 63.969 63.100 0.016 0.000 0.808 378 P CB 0.493 32.200 31.700 0.011 0.000 0.779 379 E N 0.114 120.322 120.200 0.012 0.000 2.046 379 E HA -0.080 4.270 4.350 0.001 0.000 0.190 379 E C 2.019 178.632 176.600 0.023 0.000 0.982 379 E CA 1.370 57.777 56.400 0.011 0.000 0.800 379 E CB -1.146 28.558 29.700 0.008 0.000 0.756 379 E HN 0.024 nan 8.360 nan 0.000 0.449 380 A N 0.645 123.480 122.820 0.026 0.000 1.940 380 A HA -0.148 4.173 4.320 0.001 0.000 0.219 380 A C 2.191 179.813 177.584 0.063 0.000 1.176 380 A CA 1.585 53.643 52.037 0.034 0.000 0.631 380 A CB -0.798 18.212 19.000 0.018 0.000 0.814 380 A HN 0.387 nan 8.150 nan 0.000 0.446 381 L N -0.197 121.060 121.223 0.057 0.000 2.046 381 L HA -0.099 4.242 4.340 0.001 0.000 0.208 381 L C 2.400 179.311 176.870 0.069 0.000 1.077 381 L CA 2.372 57.259 54.840 0.077 0.000 0.747 381 L CB -0.633 41.452 42.059 0.045 0.000 0.896 381 L HN 0.465 nan 8.230 nan 0.000 0.432 382 R N -0.362 120.156 120.500 0.031 0.000 2.070 382 R HA -0.164 4.176 4.340 0.001 0.000 0.233 382 R C 2.297 178.617 176.300 0.033 0.000 1.137 382 R CA 1.797 57.901 56.100 0.006 0.000 0.945 382 R CB -0.135 30.159 30.300 -0.010 0.000 0.845 382 R HN 0.372 nan 8.270 nan 0.000 0.430 383 K N -1.038 119.396 120.400 0.056 0.000 2.097 383 K HA -0.195 4.126 4.320 0.001 0.000 0.205 383 K C 2.115 178.787 176.600 0.120 0.000 1.050 383 K CA 1.496 57.823 56.287 0.067 0.000 0.938 383 K CB -0.346 32.189 32.500 0.059 0.000 0.718 383 K HN 0.291 nan 8.250 nan 0.000 0.442 384 H N 1.330 120.429 119.070 0.049 0.000 2.353 384 H HA -0.038 4.518 4.556 0.001 0.000 0.300 384 H C 1.792 177.218 175.328 0.163 0.000 1.090 384 H CA 1.428 57.533 56.048 0.095 0.000 1.327 384 H CB -0.207 29.618 29.762 0.105 0.000 1.383 384 H HN 0.036 nan 8.280 nan 0.000 0.508 385 L N -0.527 120.736 121.223 0.066 0.000 2.083 385 L HA -0.141 4.200 4.340 0.001 0.000 0.209 385 L C 2.454 179.346 176.870 0.038 0.000 1.083 385 L CA 1.120 55.974 54.840 0.024 0.000 0.752 385 L CB -0.283 41.732 42.059 -0.074 0.000 0.899 385 L HN 0.318 nan 8.230 nan 0.000 0.433 386 I N -0.380 120.200 120.570 0.017 0.000 2.252 386 I HA -0.275 3.895 4.170 0.001 0.000 0.245 386 I C 2.159 178.277 176.117 0.001 0.000 1.102 386 I CA 1.358 62.663 61.300 0.007 0.000 1.385 386 I CB -0.236 37.767 38.000 0.005 0.000 1.064 386 I HN 0.263 nan 8.210 nan 0.000 0.414 387 D N 0.616 121.018 120.400 0.003 0.000 2.149 387 D HA -0.184 4.457 4.640 0.001 0.000 0.201 387 D C 2.106 178.366 176.300 -0.067 0.000 0.972 387 D CA 1.386 55.381 54.000 -0.008 0.000 0.835 387 D CB 0.241 41.064 40.800 0.039 0.000 0.966 387 D HN 0.125 nan 8.370 nan 0.000 0.476 388 K N -1.846 118.462 120.400 -0.153 0.000 2.306 388 K HA 0.040 4.361 4.320 0.001 0.000 0.200 388 K C 1.273 177.640 176.600 -0.389 0.000 1.083 388 K CA 0.179 56.266 56.287 -0.333 0.000 0.959 388 K CB 0.077 32.216 32.500 -0.602 0.000 0.994 388 K HN 0.080 nan 8.250 nan 0.000 0.492 389 Y N 0.232 120.436 120.300 -0.160 0.000 2.462 389 Y HA 0.260 4.810 4.550 0.001 0.000 0.261 389 Y C 0.571 176.444 175.900 -0.045 0.000 1.146 389 Y CA 0.094 58.137 58.100 -0.096 0.000 1.283 389 Y CB 0.949 39.325 38.460 -0.140 0.000 1.090 389 Y HN -0.047 nan 8.280 nan 0.000 0.526 390 S N 0.890 116.626 115.700 0.060 0.000 3.682 390 S HA -0.192 4.278 4.470 0.001 0.000 0.354 390 S C -0.358 174.265 174.600 0.039 0.000 1.034 390 S CA 0.229 58.450 58.200 0.035 0.000 1.084 390 S CB -1.667 61.550 63.200 0.028 0.000 0.903 390 S HN 0.383 nan 8.310 nan 0.000 0.470 391 I N 0.856 121.440 120.570 0.024 0.000 2.498 391 I HA 0.565 4.735 4.170 0.001 0.000 0.290 391 I C 0.601 176.685 176.117 -0.054 0.000 1.032 391 I CA -0.519 60.764 61.300 -0.029 0.000 1.073 391 I CB 2.142 40.091 38.000 -0.084 0.000 1.251 391 I HN 0.293 nan 8.210 nan 0.000 0.426 392 G N 5.956 114.717 108.800 -0.065 0.000 2.384 392 G HA2 0.610 4.570 3.960 0.001 0.000 0.316 392 G HA3 0.610 4.570 3.960 0.001 0.000 0.316 392 G C -0.619 174.226 174.900 -0.092 0.000 1.160 392 G CA -0.385 44.676 45.100 -0.064 0.000 0.936 392 G HN 0.482 nan 8.290 nan 0.000 0.455 393 V N 0.778 120.632 119.914 -0.099 0.000 3.126 393 V HA 0.694 4.814 4.120 0.001 0.000 0.314 393 V C -0.583 175.459 176.094 -0.088 0.000 1.138 393 V CA -1.474 60.755 62.300 -0.118 0.000 1.034 393 V CB 2.074 33.795 31.823 -0.170 0.000 1.075 393 V HN 0.472 nan 8.190 nan 0.000 0.442 394 I N 1.994 122.508 120.570 -0.093 0.000 2.377 394 I HA 0.653 4.823 4.170 0.001 0.000 0.293 394 I C 0.571 176.642 176.117 -0.076 0.000 0.987 394 I CA -0.472 60.780 61.300 -0.081 0.000 1.185 394 I CB 1.341 39.282 38.000 -0.098 0.000 1.341 394 I HN 1.000 nan 8.210 nan 0.000 0.455 395 A N 7.114 129.901 122.820 -0.055 0.000 2.316 395 A HA 0.495 4.815 4.320 0.001 0.000 0.311 395 A C 0.920 178.480 177.584 -0.040 0.000 1.339 395 A CA -0.378 51.634 52.037 -0.041 0.000 0.960 395 A CB 0.230 19.215 19.000 -0.026 0.000 1.152 395 A HN 0.816 nan 8.150 nan 0.000 0.547 396 L N 1.580 122.779 121.223 -0.039 0.000 2.131 396 L HA 0.033 4.374 4.340 0.001 0.000 0.206 396 L C 1.035 177.882 176.870 -0.038 0.000 1.087 396 L CA 1.229 56.043 54.840 -0.042 0.000 0.767 396 L CB -0.395 41.645 42.059 -0.033 0.000 0.917 396 L HN 0.976 nan 8.230 nan 0.000 0.441 397 N N -3.211 115.475 118.700 -0.024 0.000 3.496 397 N HA 0.193 4.934 4.740 0.001 0.000 0.331 397 N C 0.185 175.695 175.510 -0.001 0.000 1.532 397 N CA -0.047 52.990 53.050 -0.022 0.000 0.863 397 N CB 0.316 38.776 38.487 -0.045 0.000 1.927 397 N HN -0.220 nan 8.380 nan 0.000 0.529 398 A N -1.232 121.591 122.820 0.006 0.000 2.121 398 A HA 0.043 4.364 4.320 0.001 0.000 0.218 398 A C 1.416 179.023 177.584 0.037 0.000 1.154 398 A CA 2.463 54.511 52.037 0.019 0.000 0.679 398 A CB -1.198 17.814 19.000 0.020 0.000 0.795 398 A HN 0.876 nan 8.150 nan 0.000 0.458 399 T N -4.886 109.699 114.554 0.052 0.000 2.980 399 T HA 0.187 4.538 4.350 0.001 0.000 0.252 399 T C -0.223 174.528 174.700 0.086 0.000 0.962 399 T CA 0.007 62.153 62.100 0.077 0.000 0.932 399 T CB 0.126 69.060 68.868 0.110 0.000 1.188 399 T HN 0.128 nan 8.240 nan 0.000 0.500 400 D N 1.482 121.935 120.400 0.089 0.000 2.163 400 D HA 0.540 5.181 4.640 0.001 0.000 0.248 400 D C -0.567 175.750 176.300 0.027 0.000 1.035 400 D CA -0.553 53.512 54.000 0.108 0.000 0.872 400 D CB 1.584 42.476 40.800 0.153 0.000 1.183 400 D HN 0.180 nan 8.370 nan 0.000 0.445 401 I N 1.234 121.801 120.570 -0.005 0.000 2.530 401 I HA 0.325 4.496 4.170 0.001 0.000 0.297 401 I C 0.332 176.394 176.117 -0.090 0.000 1.011 401 I CA -0.647 60.613 61.300 -0.068 0.000 1.107 401 I CB 1.867 39.799 38.000 -0.113 0.000 1.285 401 I HN 0.133 nan 8.210 nan 0.000 0.436 402 R N 5.318 125.753 120.500 -0.109 0.000 2.460 402 R HA 0.715 5.056 4.340 0.001 0.000 0.303 402 R C -1.503 174.732 176.300 -0.109 0.000 0.968 402 R CA -0.636 55.394 56.100 -0.116 0.000 0.889 402 R CB 1.425 31.618 30.300 -0.178 0.000 1.123 402 R HN 0.442 nan 8.270 nan 0.000 0.455 403 I N 2.944 123.476 120.570 -0.063 0.000 2.418 403 I HA 0.318 4.489 4.170 0.001 0.000 0.287 403 I C -0.314 175.853 176.117 0.084 0.000 1.008 403 I CA -0.316 60.947 61.300 -0.061 0.000 1.104 403 I CB 2.126 40.011 38.000 -0.193 0.000 1.264 403 I HN 0.640 nan 8.210 nan 0.000 0.438 404 A N 5.886 128.755 122.820 0.082 0.000 2.391 404 A HA 0.418 4.738 4.320 0.001 0.000 0.316 404 A C 0.683 178.199 177.584 -0.113 0.000 1.381 404 A CA -0.393 51.642 52.037 -0.003 0.000 0.998 404 A CB -0.575 18.465 19.000 0.066 0.000 1.147 404 A HN 0.749 nan 8.150 nan 0.000 0.545 405 F N 2.260 122.215 119.950 0.007 0.000 2.604 405 F HA -0.045 4.483 4.527 0.001 0.000 0.298 405 F C 1.992 177.754 175.800 -0.064 0.000 1.131 405 F CA 0.770 58.773 58.000 0.006 0.000 1.457 405 F CB -0.971 38.074 39.000 0.076 0.000 1.095 405 F HN 0.488 nan 8.300 nan 0.000 0.574 406 S N -0.500 114.924 115.700 -0.459 0.000 2.440 406 S HA -0.209 4.262 4.470 0.001 0.000 0.238 406 S C 1.373 175.801 174.600 -0.287 0.000 1.010 406 S CA 1.139 59.054 58.200 -0.475 0.000 0.972 406 S CB -1.495 61.025 63.200 -1.132 0.000 0.774 406 S HN 0.518 nan 8.310 nan 0.000 0.501 407 C N 1.265 120.444 119.300 -0.201 0.000 3.125 407 C HA 0.585 5.045 4.460 0.001 0.000 0.284 407 C C 0.194 175.153 174.990 -0.052 0.000 1.386 407 C CA -0.771 58.169 59.018 -0.129 0.000 1.763 407 C CB -0.721 26.935 27.740 -0.140 0.000 2.377 407 C HN 0.384 nan 8.230 nan 0.000 0.620 408 V N 1.835 121.747 119.914 -0.004 0.000 2.409 408 V HA 0.255 4.375 4.120 0.001 0.000 0.291 408 V C 0.002 176.128 176.094 0.053 0.000 1.020 408 V CA -0.454 61.864 62.300 0.030 0.000 0.848 408 V CB 1.362 33.217 31.823 0.053 0.000 0.990 408 V HN 0.383 nan 8.190 nan 0.000 0.430 409 E N 2.839 123.061 120.200 0.036 0.000 2.415 409 E HA 0.018 4.369 4.350 0.001 0.000 0.262 409 E C 0.888 177.518 176.600 0.050 0.000 1.038 409 E CA -0.130 56.291 56.400 0.036 0.000 0.921 409 E CB 1.077 30.790 29.700 0.021 0.000 0.950 409 E HN 0.585 nan 8.360 nan 0.000 0.438 410 K N 2.299 122.724 120.400 0.041 0.000 2.059 410 K HA -0.254 4.066 4.320 0.001 0.000 0.212 410 K C 0.912 177.537 176.600 0.042 0.000 1.050 410 K CA 2.010 58.319 56.287 0.037 0.000 0.927 410 K CB 0.080 32.591 32.500 0.018 0.000 0.714 410 K HN 0.406 nan 8.250 nan 0.000 0.447 411 D N 0.640 121.061 120.400 0.035 0.000 2.310 411 D HA -0.100 4.540 4.640 0.001 0.000 0.212 411 D C 1.016 177.349 176.300 0.055 0.000 0.965 411 D CA 0.883 54.906 54.000 0.037 0.000 0.879 411 D CB -0.062 40.751 40.800 0.021 0.000 0.921 411 D HN 0.279 nan 8.370 nan 0.000 0.510 412 D N -0.430 120.008 120.400 0.064 0.000 2.354 412 D HA 0.087 4.728 4.640 0.001 0.000 0.209 412 D C 2.139 178.522 176.300 0.139 0.000 1.015 412 D CA -0.052 54.003 54.000 0.091 0.000 0.867 412 D CB 0.333 41.174 40.800 0.068 0.000 0.933 412 D HN 0.265 nan 8.370 nan 0.000 0.520 413 I N 1.451 122.101 120.570 0.133 0.000 2.202 413 I HA -0.162 4.008 4.170 0.001 0.000 0.242 413 I C -0.642 175.626 176.117 0.252 0.000 1.091 413 I CA 1.041 62.456 61.300 0.191 0.000 1.368 413 I CB -1.133 36.973 38.000 0.177 0.000 1.058 413 I HN -0.037 nan 8.210 nan 0.000 0.410 414 P HA -0.210 nan 4.420 nan 0.000 0.215 414 P C 1.452 178.876 177.300 0.207 0.000 1.153 414 P CA 1.607 64.829 63.100 0.202 0.000 0.853 414 P CB -0.116 31.679 31.700 0.159 0.000 0.788 415 H N -0.345 118.785 119.070 0.099 0.000 2.352 415 H HA -0.108 4.449 4.556 0.001 0.000 0.299 415 H C 1.657 176.999 175.328 0.025 0.000 1.097 415 H CA 1.588 57.678 56.048 0.069 0.000 1.311 415 H CB -0.872 28.921 29.762 0.051 0.000 1.377 415 H HN -0.203 nan 8.280 nan 0.000 0.504 416 V N 0.002 119.866 119.914 -0.084 0.000 2.287 416 V HA -0.262 3.859 4.120 0.001 0.000 0.248 416 V C 2.228 178.073 176.094 -0.415 0.000 1.053 416 V CA 2.122 64.251 62.300 -0.285 0.000 1.027 416 V CB -0.778 30.895 31.823 -0.250 0.000 0.646 416 V HN 0.356 nan 8.190 nan 0.000 0.447 417 F N 0.298 120.111 119.950 -0.229 0.000 2.206 417 F HA -0.116 4.412 4.527 0.001 0.000 0.298 417 F C 2.231 177.868 175.800 -0.272 0.000 1.090 417 F CA 1.863 59.678 58.000 -0.309 0.000 1.323 417 F CB -0.466 38.350 39.000 -0.308 0.000 1.028 417 F HN 0.204 nan 8.300 nan 0.000 0.492 418 D N -0.545 119.845 120.400 -0.017 0.000 2.144 418 D HA -0.140 4.500 4.640 0.001 0.000 0.199 418 D C 2.161 178.391 176.300 -0.117 0.000 0.984 418 D CA 1.438 55.452 54.000 0.022 0.000 0.834 418 D CB -0.021 40.866 40.800 0.144 0.000 0.955 418 D HN 0.031 nan 8.370 nan 0.000 0.465 419 S N -0.689 114.829 115.700 -0.303 0.000 2.402 419 S HA -0.044 4.426 4.470 0.001 0.000 0.229 419 S C 2.027 176.260 174.600 -0.611 0.000 1.021 419 S CA 0.397 58.298 58.200 -0.498 0.000 0.974 419 S CB -0.108 62.737 63.200 -0.591 0.000 0.800 419 S HN 0.339 nan 8.310 nan 0.000 0.484 420 I N 1.601 121.928 120.570 -0.407 0.000 2.252 420 I HA -0.173 3.998 4.170 0.001 0.000 0.245 420 I C 2.682 178.766 176.117 -0.054 0.000 1.102 420 I CA 1.043 62.174 61.300 -0.282 0.000 1.385 420 I CB -0.452 37.347 38.000 -0.336 0.000 1.064 420 I HN 0.259 nan 8.210 nan 0.000 0.414 421 A N 0.892 123.724 122.820 0.018 0.000 1.902 421 A HA -0.218 4.102 4.320 0.001 0.000 0.217 421 A C 2.314 179.881 177.584 -0.029 0.000 1.181 421 A CA 1.626 53.598 52.037 -0.108 0.000 0.623 421 A CB -0.434 18.290 19.000 -0.460 0.000 0.818 421 A HN 0.303 nan 8.150 nan 0.000 0.443 422 K N -0.326 120.046 120.400 -0.047 0.000 2.057 422 K HA -0.054 4.266 4.320 0.001 0.000 0.207 422 K C 2.293 178.948 176.600 0.092 0.000 1.049 422 K CA 1.117 57.438 56.287 0.056 0.000 0.931 422 K CB -0.330 32.228 32.500 0.097 0.000 0.714 422 K HN 0.436 nan 8.250 nan 0.000 0.440 423 A N 1.341 124.092 122.820 -0.116 0.000 1.933 423 A HA -0.150 4.170 4.320 0.001 0.000 0.218 423 A C 2.099 179.791 177.584 0.181 0.000 1.175 423 A CA 1.279 53.357 52.037 0.069 0.000 0.628 423 A CB -0.553 18.320 19.000 -0.211 0.000 0.814 423 A HN 0.177 nan 8.150 nan 0.000 0.444 424 I N -0.245 120.410 120.570 0.141 0.000 2.202 424 I HA -0.222 3.948 4.170 0.001 0.000 0.242 424 I C 1.788 178.006 176.117 0.169 0.000 1.091 424 I CA 1.468 62.876 61.300 0.179 0.000 1.368 424 I CB -0.396 37.767 38.000 0.271 0.000 1.058 424 I HN 0.216 nan 8.210 nan 0.000 0.410 425 D N 0.800 121.327 120.400 0.212 0.000 2.221 425 D HA -0.177 4.463 4.640 0.001 0.000 0.204 425 D C 1.675 178.048 176.300 0.121 0.000 0.982 425 D CA 1.107 55.207 54.000 0.167 0.000 0.857 425 D CB -0.324 40.604 40.800 0.213 0.000 0.934 425 D HN 0.329 nan 8.370 nan 0.000 0.475 426 D N -0.011 120.473 120.400 0.139 0.000 2.144 426 D HA -0.029 4.611 4.640 0.001 0.000 0.200 426 D C 1.256 177.561 176.300 0.009 0.000 0.978 426 D CA 0.477 54.535 54.000 0.097 0.000 0.833 426 D CB 0.154 41.056 40.800 0.170 0.000 0.961 426 D HN 0.241 nan 8.370 nan 0.000 0.470 427 L N 0.000 121.223 121.223 -0.000 0.000 2.949 427 L HA 0.000 4.341 4.340 0.001 0.000 0.249 427 L CA 0.000 54.822 54.840 -0.030 0.000 0.813 427 L CB 0.000 42.041 42.059 -0.031 0.000 0.961 427 L HN 0.000 nan 8.230 nan 0.000 0.502