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 3abl_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.825 175.800 0.042 0.000 0.967 2 F CA 0.000 58.053 58.000 0.089 0.000 1.383 2 F CB 0.000 39.047 39.000 0.077 0.000 1.145 3 I N 1.319 121.912 120.570 0.039 0.000 2.286 3 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 3 I C 1.694 177.444 176.117 -0.613 0.000 1.104 3 I CA 1.261 62.415 61.300 -0.243 0.000 1.397 3 I CB -0.430 37.397 38.000 -0.289 0.000 1.072 3 I HN 0.231 nan 8.210 nan 0.000 0.417 4 N N 0.839 119.263 118.700 -0.460 0.000 2.094 4 N HA -0.238 4.502 4.740 -0.000 0.000 0.191 4 N C 1.873 177.219 175.510 -0.273 0.000 1.023 4 N CA 1.364 54.226 53.050 -0.314 0.000 0.857 4 N CB -0.352 38.066 38.487 -0.116 0.000 1.013 4 N HN 0.327 nan 8.380 nan 0.000 0.426 5 R N -1.004 119.262 120.500 -0.390 0.000 2.057 5 R HA -0.013 4.327 4.340 -0.000 0.000 0.224 5 R C 1.416 177.270 176.300 -0.743 0.000 1.136 5 R CA 1.097 56.815 56.100 -0.636 0.000 0.968 5 R CB -0.172 29.587 30.300 -0.903 0.000 0.863 5 R HN 0.239 nan 8.270 nan 0.000 0.433 6 W N -0.762 120.312 121.300 -0.377 0.000 2.996 6 W HA 0.183 4.843 4.660 -0.000 0.000 0.270 6 W C 1.056 177.585 176.519 0.015 0.000 1.280 6 W CA -0.551 56.621 57.345 -0.289 0.000 1.549 6 W CB 0.477 29.562 29.460 -0.625 0.000 1.079 6 W HN 0.104 nan 8.180 nan 0.000 0.629 7 L N -1.697 119.573 121.223 0.077 0.000 2.537 7 L HA 0.186 4.526 4.340 -0.000 0.000 0.224 7 L C 0.813 177.877 176.870 0.322 0.000 1.065 7 L CA 0.898 55.791 54.840 0.088 0.000 0.860 7 L CB -0.510 41.382 42.059 -0.278 0.000 1.086 7 L HN -0.157 nan 8.230 nan 0.000 0.482 8 F N -1.143 118.813 119.950 0.011 0.000 2.684 8 F HA 0.389 4.916 4.527 -0.000 0.000 0.298 8 F C 1.250 177.049 175.800 -0.002 0.000 1.120 8 F CA -1.126 56.868 58.000 -0.009 0.000 1.332 8 F CB -0.981 37.994 39.000 -0.042 0.000 0.986 8 F HN -0.196 nan 8.300 nan 0.000 0.524 9 S N 0.821 116.626 115.700 0.176 0.000 2.568 9 S HA 0.242 4.712 4.470 -0.000 0.000 0.282 9 S C 1.094 175.720 174.600 0.043 0.000 1.338 9 S CA 0.540 58.755 58.200 0.026 0.000 1.045 9 S CB 0.408 63.557 63.200 -0.086 0.000 0.873 9 S HN 0.467 nan 8.310 nan 0.000 0.516 10 T N 0.994 115.544 114.554 -0.007 0.000 3.460 10 T HA 0.308 4.658 4.350 -0.000 0.000 0.304 10 T C -0.256 174.395 174.700 -0.082 0.000 0.991 10 T CA -0.689 61.406 62.100 -0.009 0.000 0.975 10 T CB -0.479 68.407 68.868 0.029 0.000 1.196 10 T HN 0.527 nan 8.240 nan 0.000 0.490 11 N N 1.356 119.938 118.700 -0.198 0.000 2.372 11 N HA 0.169 4.909 4.740 -0.000 0.000 0.285 11 N C 0.929 176.196 175.510 -0.405 0.000 1.008 11 N CA -0.302 52.505 53.050 -0.405 0.000 0.880 11 N CB 1.583 39.582 38.487 -0.812 0.000 1.239 11 N HN 0.545 nan 8.380 nan 0.000 0.484 12 H N 2.876 121.703 119.070 -0.405 0.000 2.456 12 H HA 0.035 4.591 4.556 -0.000 0.000 0.296 12 H C 0.911 175.878 175.328 -0.602 0.000 1.079 12 H CA 1.357 57.173 56.048 -0.387 0.000 1.322 12 H CB 0.360 29.938 29.762 -0.306 0.000 1.388 12 H HN 0.490 nan 8.280 nan 0.000 0.538 13 K N 0.037 119.605 120.400 -1.388 0.000 2.098 13 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 13 K C 1.395 177.273 176.600 -1.203 0.000 1.051 13 K CA 1.013 56.181 56.287 -1.864 0.000 0.957 13 K CB 0.254 31.554 32.500 -2.001 0.000 0.738 13 K HN 0.221 nan 8.250 nan 0.000 0.447 14 D N 1.150 121.092 120.400 -0.764 0.000 2.144 14 D HA -0.063 4.577 4.640 -0.000 0.000 0.200 14 D C 1.800 177.955 176.300 -0.242 0.000 0.978 14 D CA 0.896 54.655 54.000 -0.401 0.000 0.833 14 D CB -0.015 40.404 40.800 -0.635 0.000 0.961 14 D HN 0.119 nan 8.370 nan 0.000 0.470 15 I N 0.658 121.039 120.570 -0.315 0.000 2.252 15 I HA -0.122 4.048 4.170 -0.000 0.000 0.245 15 I C 2.484 178.557 176.117 -0.073 0.000 1.102 15 I CA 1.101 62.273 61.300 -0.214 0.000 1.385 15 I CB -0.371 37.572 38.000 -0.095 0.000 1.064 15 I HN 0.014 nan 8.210 nan 0.000 0.414 16 G N 0.281 108.982 108.800 -0.165 0.000 2.446 16 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 16 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 16 G C 1.655 176.614 174.900 0.099 0.000 1.168 16 G CA 1.543 46.612 45.100 -0.053 0.000 0.771 16 G HN 0.271 nan 8.290 nan 0.000 0.551 17 T N 1.310 115.908 114.554 0.072 0.000 2.746 17 T HA -0.037 4.313 4.350 -0.000 0.000 0.267 17 T C 2.435 177.173 174.700 0.064 0.000 1.039 17 T CA 0.958 63.188 62.100 0.215 0.000 1.142 17 T CB -0.214 68.836 68.868 0.304 0.000 0.866 17 T HN 0.155 nan 8.240 nan 0.000 0.444 18 L N -0.574 120.581 121.223 -0.113 0.000 2.042 18 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 18 L C 2.403 179.131 176.870 -0.237 0.000 1.076 18 L CA 1.571 56.150 54.840 -0.436 0.000 0.749 18 L CB -0.627 40.664 42.059 -1.280 0.000 0.893 18 L HN 0.262 nan 8.230 nan 0.000 0.432 19 Y N 0.131 120.338 120.300 -0.155 0.000 2.224 19 Y HA -0.245 4.305 4.550 -0.000 0.000 0.289 19 Y C 2.415 178.464 175.900 0.249 0.000 1.146 19 Y CA 1.328 59.549 58.100 0.202 0.000 1.182 19 Y CB -0.404 38.144 38.460 0.147 0.000 0.983 19 Y HN 0.063 nan 8.280 nan 0.000 0.524 20 L N -1.004 120.403 121.223 0.306 0.000 1.994 20 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 20 L C 2.309 179.329 176.870 0.249 0.000 1.071 20 L CA 1.263 56.238 54.840 0.225 0.000 0.745 20 L CB -0.913 41.235 42.059 0.147 0.000 0.892 20 L HN 0.217 nan 8.230 nan 0.000 0.431 21 L N -1.108 120.248 121.223 0.221 0.000 1.990 21 L HA -0.282 4.058 4.340 -0.000 0.000 0.213 21 L C 2.623 179.666 176.870 0.289 0.000 1.072 21 L CA 1.527 56.492 54.840 0.208 0.000 0.755 21 L CB -0.705 41.420 42.059 0.110 0.000 0.889 21 L HN 0.150 nan 8.230 nan 0.000 0.432 22 F N 0.976 121.059 119.950 0.223 0.000 2.091 22 F HA -0.219 4.308 4.527 -0.000 0.000 0.299 22 F C 2.230 178.254 175.800 0.374 0.000 1.103 22 F CA 1.855 60.035 58.000 0.301 0.000 1.228 22 F CB -0.656 38.550 39.000 0.342 0.000 0.984 22 F HN 0.002 nan 8.300 nan 0.000 0.477 23 G N -0.741 108.351 108.800 0.488 0.000 2.408 23 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.217 23 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.217 23 G C 1.769 176.791 174.900 0.203 0.000 1.150 23 G CA 0.676 45.992 45.100 0.360 0.000 0.776 23 G HN 0.634 nan 8.290 nan 0.000 0.542 24 A N -0.044 122.886 122.820 0.184 0.000 1.898 24 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 24 A C 2.125 179.783 177.584 0.123 0.000 1.181 24 A CA 1.492 53.592 52.037 0.106 0.000 0.620 24 A CB -0.687 18.363 19.000 0.083 0.000 0.819 24 A HN 0.511 nan 8.150 nan 0.000 0.442 25 W N 0.621 121.914 121.300 -0.011 0.000 2.355 25 W HA -0.134 4.526 4.660 -0.000 0.000 0.309 25 W C 2.537 179.056 176.519 -0.001 0.000 1.206 25 W CA 2.244 59.568 57.345 -0.036 0.000 1.284 25 W CB -0.250 29.154 29.460 -0.093 0.000 1.145 25 W HN 0.363 nan 8.180 nan 0.000 0.502 26 A N 0.510 123.460 122.820 0.216 0.000 1.917 26 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 26 A C 2.229 179.853 177.584 0.067 0.000 1.182 26 A CA 2.209 54.376 52.037 0.217 0.000 0.633 26 A CB -1.738 17.356 19.000 0.158 0.000 0.819 26 A HN 0.427 nan 8.150 nan 0.000 0.448 27 G N -1.045 107.781 108.800 0.043 0.000 2.442 27 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 27 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 27 G C 1.457 176.337 174.900 -0.033 0.000 1.141 27 G CA 1.432 46.542 45.100 0.017 0.000 0.763 27 G HN 0.376 nan 8.290 nan 0.000 0.554 28 M N 0.209 119.736 119.600 -0.121 0.000 2.193 28 M HA 0.079 4.559 4.480 -0.000 0.000 0.265 28 M C 2.777 178.954 176.300 -0.205 0.000 1.071 28 M CA 0.550 55.742 55.300 -0.181 0.000 1.140 28 M CB -1.044 31.375 32.600 -0.301 0.000 1.369 28 M HN 0.109 nan 8.290 nan 0.000 0.423 29 V N 0.451 120.197 119.914 -0.279 0.000 2.295 29 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 29 V C 2.653 178.749 176.094 0.002 0.000 1.049 29 V CA 2.101 64.291 62.300 -0.183 0.000 1.024 29 V CB -1.762 30.007 31.823 -0.090 0.000 0.648 29 V HN 0.543 nan 8.190 nan 0.000 0.447 30 G N -0.571 108.262 108.800 0.055 0.000 2.440 30 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 30 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 30 G C 1.696 176.688 174.900 0.153 0.000 1.154 30 G CA 1.662 46.833 45.100 0.119 0.000 0.767 30 G HN 0.471 nan 8.290 nan 0.000 0.552 31 T N 1.395 115.988 114.554 0.066 0.000 2.777 31 T HA 0.085 4.435 4.350 -0.000 0.000 0.266 31 T C 2.831 177.523 174.700 -0.013 0.000 1.040 31 T CA 1.388 63.511 62.100 0.039 0.000 1.141 31 T CB -0.323 68.544 68.868 -0.002 0.000 0.868 31 T HN 0.376 nan 8.240 nan 0.000 0.444 32 A N 1.210 124.008 122.820 -0.036 0.000 1.902 32 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 32 A C 2.288 179.858 177.584 -0.024 0.000 1.181 32 A CA 1.208 53.212 52.037 -0.055 0.000 0.623 32 A CB -0.846 18.113 19.000 -0.069 0.000 0.818 32 A HN 0.465 nan 8.150 nan 0.000 0.443 33 L N 0.150 121.391 121.223 0.029 0.000 2.046 33 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 33 L C 3.040 179.884 176.870 -0.044 0.000 1.077 33 L CA 1.625 56.492 54.840 0.046 0.000 0.747 33 L CB -0.402 41.749 42.059 0.153 0.000 0.896 33 L HN 0.630 nan 8.230 nan 0.000 0.432 34 S N -0.214 115.447 115.700 -0.064 0.000 2.423 34 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 34 S C 1.912 176.427 174.600 -0.142 0.000 1.014 34 S CA 0.766 58.813 58.200 -0.254 0.000 0.965 34 S CB -0.360 62.756 63.200 -0.140 0.000 0.785 34 S HN 0.354 nan 8.310 nan 0.000 0.495 35 L N 0.381 121.538 121.223 -0.110 0.000 2.240 35 L HA 0.179 4.519 4.340 -0.000 0.000 0.211 35 L C 2.470 179.315 176.870 -0.042 0.000 1.106 35 L CA 0.615 55.375 54.840 -0.133 0.000 0.793 35 L CB -0.335 41.577 42.059 -0.245 0.000 0.927 35 L HN 0.313 nan 8.230 nan 0.000 0.446 36 L N -0.700 120.510 121.223 -0.023 0.000 2.093 36 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 36 L C 2.382 179.303 176.870 0.084 0.000 1.085 36 L CA 1.231 56.091 54.840 0.034 0.000 0.755 36 L CB -0.295 41.779 42.059 0.026 0.000 0.904 36 L HN 0.199 nan 8.230 nan 0.000 0.435 37 I N -0.716 119.878 120.570 0.040 0.000 2.127 37 I HA -0.304 3.866 4.170 -0.000 0.000 0.241 37 I C 2.633 178.865 176.117 0.192 0.000 1.075 37 I CA 1.239 62.615 61.300 0.126 0.000 1.334 37 I CB -0.338 37.646 38.000 -0.026 0.000 1.040 37 I HN 0.238 nan 8.210 nan 0.000 0.405 38 R N 0.618 121.177 120.500 0.099 0.000 2.193 38 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 38 R C 2.185 178.586 176.300 0.169 0.000 1.055 38 R CA 1.127 57.295 56.100 0.113 0.000 0.995 38 R CB -0.510 29.827 30.300 0.062 0.000 0.893 38 R HN 0.375 nan 8.270 nan 0.000 0.459 39 A N 0.932 123.860 122.820 0.181 0.000 1.929 39 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 39 A C 2.079 179.746 177.584 0.139 0.000 1.176 39 A CA 1.427 53.582 52.037 0.197 0.000 0.628 39 A CB -0.219 18.892 19.000 0.185 0.000 0.816 39 A HN 0.194 nan 8.150 nan 0.000 0.444 40 E N 0.300 120.589 120.200 0.148 0.000 2.077 40 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 40 E C 1.554 178.199 176.600 0.074 0.000 0.989 40 E CA 1.235 57.702 56.400 0.111 0.000 0.800 40 E CB -0.317 29.498 29.700 0.191 0.000 0.746 40 E HN 0.560 nan 8.360 nan 0.000 0.452 41 L N -0.831 120.476 121.223 0.140 0.000 2.592 41 L HA 0.259 4.599 4.340 -0.000 0.000 0.227 41 L C 1.912 178.924 176.870 0.236 0.000 1.127 41 L CA 0.409 55.372 54.840 0.206 0.000 0.884 41 L CB 0.143 42.324 42.059 0.203 0.000 1.065 41 L HN 0.227 nan 8.230 nan 0.000 0.457 42 G N 0.033 108.919 108.800 0.143 0.000 2.650 42 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.214 42 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.214 42 G C 0.488 175.441 174.900 0.089 0.000 1.136 42 G CA 0.075 45.233 45.100 0.097 0.000 0.789 42 G HN 0.486 nan 8.290 nan 0.000 0.536 43 Q N -0.433 119.424 119.800 0.096 0.000 2.462 43 Q HA 0.545 4.885 4.340 -0.000 0.000 0.285 43 Q C -3.177 172.830 176.000 0.011 0.000 1.035 43 Q CA -2.309 53.541 55.803 0.079 0.000 0.799 43 Q CB 2.196 30.944 28.738 0.016 0.000 1.452 43 Q HN -0.110 nan 8.270 nan 0.000 0.404 44 P HA 0.346 nan 4.420 nan 0.000 0.268 44 P C 0.225 177.404 177.300 -0.202 0.000 1.205 44 P CA 1.255 64.199 63.100 -0.259 0.000 0.771 44 P CB 0.751 32.383 31.700 -0.113 0.000 0.858 45 G N 1.409 110.047 108.800 -0.270 0.000 2.352 45 G HA2 0.019 3.979 3.960 -0.000 0.000 0.324 45 G HA3 0.019 3.979 3.960 -0.000 0.000 0.324 45 G C -1.343 173.459 174.900 -0.163 0.000 1.249 45 G CA -0.699 44.299 45.100 -0.169 0.000 1.053 45 G HN 0.603 nan 8.290 nan 0.000 0.492 46 T N 0.884 115.375 114.554 -0.105 0.000 2.809 46 T HA 0.518 4.868 4.350 -0.000 0.000 0.284 46 T C 0.991 175.664 174.700 -0.045 0.000 0.992 46 T CA 0.239 62.289 62.100 -0.084 0.000 0.957 46 T CB 1.636 70.463 68.868 -0.069 0.000 0.942 46 T HN 0.954 nan 8.240 nan 0.000 0.439 47 L N 4.322 125.531 121.223 -0.024 0.000 2.185 47 L HA 0.441 4.781 4.340 -0.000 0.000 0.198 47 L C 1.572 178.457 176.870 0.025 0.000 1.079 47 L CA 1.226 56.070 54.840 0.008 0.000 0.780 47 L CB -0.281 41.795 42.059 0.029 0.000 0.955 47 L HN 0.630 nan 8.230 nan 0.000 0.462 48 L N -1.343 119.906 121.223 0.044 0.000 2.200 48 L HA 0.467 4.807 4.340 -0.000 0.000 0.200 48 L C 1.129 178.028 176.870 0.048 0.000 1.072 48 L CA 0.432 55.308 54.840 0.060 0.000 0.787 48 L CB -0.319 41.798 42.059 0.097 0.000 0.957 48 L HN 0.453 nan 8.230 nan 0.000 0.459 49 G N -0.717 108.110 108.800 0.046 0.000 2.335 49 G HA2 0.142 4.102 3.960 -0.000 0.000 0.291 49 G HA3 0.142 4.102 3.960 -0.000 0.000 0.291 49 G C -1.863 173.055 174.900 0.030 0.000 1.261 49 G CA -0.057 45.063 45.100 0.033 0.000 0.871 49 G HN 0.139 nan 8.290 nan 0.000 0.491 50 D N -0.570 119.847 120.400 0.028 0.000 2.315 50 D HA 0.264 4.904 4.640 -0.000 0.000 0.275 50 D C 0.610 176.943 176.300 0.055 0.000 1.218 50 D CA 0.048 54.054 54.000 0.011 0.000 1.040 50 D CB 0.203 41.003 40.800 0.000 0.000 1.123 50 D HN 0.173 nan 8.370 nan 0.000 0.541 51 D N -1.548 118.878 120.400 0.045 0.000 2.350 51 D HA -0.109 4.531 4.640 -0.000 0.000 0.216 51 D C 1.638 178.042 176.300 0.172 0.000 0.968 51 D CA 0.714 54.789 54.000 0.125 0.000 0.894 51 D CB 0.013 40.862 40.800 0.081 0.000 0.909 51 D HN 0.400 nan 8.370 nan 0.000 0.520 52 Q N 1.004 120.875 119.800 0.118 0.000 1.994 52 Q HA -0.037 4.303 4.340 -0.000 0.000 0.198 52 Q C 2.117 178.197 176.000 0.134 0.000 0.976 52 Q CA 0.827 56.701 55.803 0.117 0.000 0.828 52 Q CB -0.469 28.310 28.738 0.067 0.000 0.894 52 Q HN 0.315 nan 8.270 nan 0.000 0.432 53 I N -0.129 120.514 120.570 0.121 0.000 2.208 53 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 53 I C 2.049 178.249 176.117 0.139 0.000 1.097 53 I CA 1.569 62.941 61.300 0.119 0.000 1.363 53 I CB -0.240 37.821 38.000 0.102 0.000 1.051 53 I HN 0.472 nan 8.210 nan 0.000 0.413 54 Y N 1.963 122.303 120.300 0.067 0.000 2.114 54 Y HA -0.340 4.210 4.550 -0.000 0.000 0.282 54 Y C 2.220 178.176 175.900 0.094 0.000 1.165 54 Y CA 2.247 60.392 58.100 0.076 0.000 1.148 54 Y CB -0.239 38.264 38.460 0.071 0.000 0.972 54 Y HN 0.272 nan 8.280 nan 0.000 0.504 55 N N -0.455 118.273 118.700 0.047 0.000 2.422 55 N HA -0.066 4.674 4.740 -0.000 0.000 0.181 55 N C 1.739 177.249 175.510 -0.001 0.000 1.080 55 N CA 0.901 53.934 53.050 -0.029 0.000 0.893 55 N CB 0.150 38.704 38.487 0.111 0.000 0.973 55 N HN 0.281 nan 8.380 nan 0.000 0.456 56 V N 0.515 120.460 119.914 0.051 0.000 2.427 56 V HA -0.147 3.973 4.120 -0.000 0.000 0.248 56 V C 2.363 178.486 176.094 0.048 0.000 1.051 56 V CA 1.089 63.437 62.300 0.079 0.000 1.048 56 V CB -0.304 31.583 31.823 0.105 0.000 0.666 56 V HN 0.034 nan 8.190 nan 0.000 0.456 57 V N -0.396 119.511 119.914 -0.013 0.000 2.307 57 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 57 V C 2.416 178.484 176.094 -0.044 0.000 1.045 57 V CA 1.886 64.169 62.300 -0.029 0.000 1.024 57 V CB -0.284 31.494 31.823 -0.075 0.000 0.651 57 V HN 0.395 nan 8.190 nan 0.000 0.449 58 V N -0.050 119.757 119.914 -0.178 0.000 2.255 58 V HA -0.317 3.803 4.120 -0.000 0.000 0.247 58 V C 2.585 178.682 176.094 0.006 0.000 1.051 58 V CA 2.786 65.020 62.300 -0.110 0.000 1.018 58 V CB -1.172 30.522 31.823 -0.214 0.000 0.641 58 V HN 0.626 nan 8.190 nan 0.000 0.445 59 T N 0.468 115.005 114.554 -0.028 0.000 2.665 59 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 59 T C 1.982 176.659 174.700 -0.038 0.000 1.035 59 T CA 1.892 63.941 62.100 -0.086 0.000 1.151 59 T CB -0.489 68.368 68.868 -0.019 0.000 0.862 59 T HN 0.591 nan 8.240 nan 0.000 0.438 60 A N 0.870 123.767 122.820 0.129 0.000 1.968 60 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 60 A C 1.968 179.660 177.584 0.181 0.000 1.169 60 A CA 1.971 54.156 52.037 0.248 0.000 0.638 60 A CB -0.839 18.305 19.000 0.241 0.000 0.812 60 A HN 0.691 nan 8.150 nan 0.000 0.446 61 H N 0.606 119.699 119.070 0.039 0.000 2.265 61 H HA -0.078 4.478 4.556 -0.000 0.000 0.295 61 H C 2.126 177.431 175.328 -0.039 0.000 1.084 61 H CA 2.490 58.547 56.048 0.016 0.000 1.261 61 H CB -0.500 29.264 29.762 0.004 0.000 1.360 61 H HN 0.338 nan 8.280 nan 0.000 0.487 62 A N -0.062 122.570 122.820 -0.313 0.000 1.883 62 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 62 A C 2.319 179.688 177.584 -0.359 0.000 1.186 62 A CA 1.684 53.386 52.037 -0.558 0.000 0.624 62 A CB -1.150 17.468 19.000 -0.637 0.000 0.822 62 A HN 0.468 nan 8.150 nan 0.000 0.444 63 F N -0.249 119.666 119.950 -0.058 0.000 2.146 63 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 63 F C 2.522 178.236 175.800 -0.143 0.000 1.096 63 F CA 1.025 59.051 58.000 0.043 0.000 1.275 63 F CB -0.850 38.178 39.000 0.047 0.000 1.008 63 F HN 0.018 nan 8.300 nan 0.000 0.480 64 V N -0.349 119.615 119.914 0.084 0.000 2.295 64 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 64 V C 2.491 178.550 176.094 -0.059 0.000 1.049 64 V CA 1.482 63.797 62.300 0.025 0.000 1.024 64 V CB -0.505 31.410 31.823 0.152 0.000 0.648 64 V HN 0.219 nan 8.190 nan 0.000 0.447 65 M N -1.212 118.294 119.600 -0.156 0.000 2.175 65 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 65 M C 2.068 178.231 176.300 -0.230 0.000 1.063 65 M CA 1.845 57.029 55.300 -0.193 0.000 1.119 65 M CB -0.807 31.596 32.600 -0.329 0.000 1.377 65 M HN 0.296 nan 8.290 nan 0.000 0.415 66 I N -1.501 118.866 120.570 -0.338 0.000 2.385 66 I HA -0.188 3.982 4.170 -0.000 0.000 0.244 66 I C 1.885 177.724 176.117 -0.463 0.000 1.089 66 I CA 0.900 61.902 61.300 -0.497 0.000 1.410 66 I CB -0.209 37.320 38.000 -0.785 0.000 1.117 66 I HN 0.035 nan 8.210 nan 0.000 0.429 67 F N -0.380 119.400 119.950 -0.284 0.000 2.416 67 F HA -0.020 4.507 4.527 -0.000 0.000 0.296 67 F C 1.731 177.378 175.800 -0.256 0.000 1.099 67 F CA 0.968 58.746 58.000 -0.370 0.000 1.427 67 F CB -0.101 38.478 39.000 -0.700 0.000 1.079 67 F HN -0.039 nan 8.300 nan 0.000 0.536 68 F N -2.482 117.573 119.950 0.176 0.000 2.712 68 F HA 0.188 4.715 4.527 -0.000 0.000 0.297 68 F C 1.905 177.827 175.800 0.203 0.000 1.114 68 F CA -0.015 58.106 58.000 0.203 0.000 1.305 68 F CB -0.388 38.431 39.000 -0.300 0.000 1.086 68 F HN -0.122 nan 8.300 nan 0.000 0.599 69 M N -0.337 119.392 119.600 0.215 0.000 2.508 69 M HA 0.081 4.561 4.480 -0.000 0.000 0.238 69 M C 2.075 178.463 176.300 0.146 0.000 1.210 69 M CA 1.319 56.718 55.300 0.167 0.000 1.231 69 M CB -0.610 32.040 32.600 0.083 0.000 1.201 69 M HN -0.081 nan 8.290 nan 0.000 0.491 70 V N 1.384 121.323 119.914 0.041 0.000 2.261 70 V HA -0.308 3.812 4.120 -0.000 0.000 0.246 70 V C 2.577 178.702 176.094 0.053 0.000 1.047 70 V CA 2.019 64.332 62.300 0.021 0.000 1.015 70 V CB -0.634 31.137 31.823 -0.086 0.000 0.642 70 V HN 0.509 nan 8.190 nan 0.000 0.446 71 M N -0.815 118.798 119.600 0.021 0.000 2.123 71 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 71 M C -0.114 176.256 176.300 0.115 0.000 1.069 71 M CA 2.107 57.427 55.300 0.034 0.000 1.133 71 M CB -1.310 31.293 32.600 0.006 0.000 1.356 71 M HN 0.280 nan 8.290 nan 0.000 0.415 72 P HA -0.115 nan 4.420 nan 0.000 0.216 72 P C 1.377 178.819 177.300 0.237 0.000 1.153 72 P CA 1.315 64.607 63.100 0.320 0.000 0.848 72 P CB -0.136 31.936 31.700 0.620 0.000 0.787 73 I N -1.729 119.000 120.570 0.266 0.000 2.099 73 I HA -0.289 3.881 4.170 -0.000 0.000 0.239 73 I C 2.483 178.774 176.117 0.289 0.000 1.066 73 I CA 1.858 63.305 61.300 0.245 0.000 1.324 73 I CB -0.580 37.584 38.000 0.274 0.000 1.037 73 I HN -0.073 nan 8.210 nan 0.000 0.401 74 M N -0.119 119.650 119.600 0.282 0.000 2.099 74 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 74 M C 2.223 178.655 176.300 0.220 0.000 1.067 74 M CA 2.081 57.575 55.300 0.323 0.000 1.124 74 M CB -0.186 32.519 32.600 0.174 0.000 1.353 74 M HN 0.196 nan 8.290 nan 0.000 0.410 75 I N -1.507 119.088 120.570 0.041 0.000 2.681 75 I HA 0.046 4.216 4.170 -0.000 0.000 0.247 75 I C 2.560 178.588 176.117 -0.148 0.000 1.091 75 I CA 0.894 62.118 61.300 -0.127 0.000 1.442 75 I CB -0.882 37.036 38.000 -0.138 0.000 1.219 75 I HN 0.242 nan 8.210 nan 0.000 0.451 76 G N 0.459 109.033 108.800 -0.377 0.000 2.408 76 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.217 76 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.217 76 G C 1.532 176.109 174.900 -0.539 0.000 1.150 76 G CA 0.910 45.313 45.100 -1.161 0.000 0.776 76 G HN 0.485 nan 8.290 nan 0.000 0.542 77 G N 0.309 109.018 108.800 -0.151 0.000 2.655 77 G HA2 0.120 4.080 3.960 -0.000 0.000 0.217 77 G HA3 0.120 4.080 3.960 -0.000 0.000 0.217 77 G C 1.463 176.351 174.900 -0.021 0.000 1.279 77 G CA 0.262 45.344 45.100 -0.029 0.000 0.870 77 G HN 0.267 nan 8.290 nan 0.000 0.560 78 F N 1.849 121.882 119.950 0.138 0.000 2.161 78 F HA -0.001 4.526 4.527 -0.000 0.000 0.300 78 F C 2.890 178.822 175.800 0.222 0.000 1.089 78 F CA 0.953 59.015 58.000 0.104 0.000 1.282 78 F CB -0.195 38.803 39.000 -0.003 0.000 1.010 78 F HN 0.248 nan 8.300 nan 0.000 0.485 79 G N -0.120 108.912 108.800 0.386 0.000 2.414 79 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 79 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 79 G C 1.616 176.784 174.900 0.446 0.000 1.188 79 G CA 0.797 46.042 45.100 0.241 0.000 0.783 79 G HN 0.210 nan 8.290 nan 0.000 0.537 80 N N -0.042 118.899 118.700 0.402 0.000 2.166 80 N HA -0.098 4.642 4.740 -0.000 0.000 0.186 80 N C 1.910 177.542 175.510 0.203 0.000 1.019 80 N CA 0.857 54.050 53.050 0.239 0.000 0.856 80 N CB -0.295 38.234 38.487 0.069 0.000 0.993 80 N HN 0.554 nan 8.380 nan 0.000 0.426 81 W N 1.441 122.739 121.300 -0.004 0.000 2.354 81 W HA -0.028 4.632 4.660 -0.000 0.000 0.315 81 W C 2.198 178.759 176.519 0.070 0.000 1.206 81 W CA 0.726 58.009 57.345 -0.102 0.000 1.290 81 W CB -0.348 28.790 29.460 -0.537 0.000 1.152 81 W HN 0.010 nan 8.180 nan 0.000 0.489 82 L N -1.585 119.848 121.223 0.348 0.000 2.168 82 L HA -0.112 4.228 4.340 -0.000 0.000 0.203 82 L C 2.105 179.100 176.870 0.209 0.000 1.078 82 L CA 0.344 55.306 54.840 0.204 0.000 0.780 82 L CB -1.256 40.767 42.059 -0.060 0.000 0.939 82 L HN -0.199 nan 8.230 nan 0.000 0.451 83 V N 0.655 120.715 119.914 0.245 0.000 2.295 83 V HA -0.155 3.965 4.120 -0.000 0.000 0.246 83 V C -0.241 175.857 176.094 0.006 0.000 1.049 83 V CA 2.083 64.466 62.300 0.139 0.000 1.024 83 V CB -1.343 30.581 31.823 0.169 0.000 0.648 83 V HN 0.304 nan 8.190 nan 0.000 0.447 84 P HA -0.104 nan 4.420 nan 0.000 0.217 84 P C 1.890 179.083 177.300 -0.178 0.000 1.150 84 P CA 1.277 64.201 63.100 -0.292 0.000 0.832 84 P CB -0.025 31.213 31.700 -0.770 0.000 0.787 85 L N -1.857 119.386 121.223 0.033 0.000 2.046 85 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 85 L C 2.401 179.322 176.870 0.086 0.000 1.077 85 L CA 1.613 56.583 54.840 0.217 0.000 0.747 85 L CB -0.810 41.448 42.059 0.332 0.000 0.896 85 L HN -0.005 nan 8.230 nan 0.000 0.432 86 M N -0.245 119.407 119.600 0.086 0.000 2.557 86 M HA -0.063 4.417 4.480 -0.000 0.000 0.259 86 M C 1.610 177.912 176.300 0.003 0.000 1.086 86 M CA 1.179 56.547 55.300 0.113 0.000 1.096 86 M CB 0.047 32.760 32.600 0.188 0.000 1.424 86 M HN 0.346 nan 8.290 nan 0.000 0.488 87 I N -4.259 116.239 120.570 -0.121 0.000 3.974 87 I HA 0.462 4.632 4.170 -0.000 0.000 0.334 87 I C 0.793 176.685 176.117 -0.374 0.000 1.437 87 I CA -0.056 61.134 61.300 -0.183 0.000 1.113 87 I CB -0.246 37.652 38.000 -0.169 0.000 1.063 87 I HN 0.298 nan 8.210 nan 0.000 0.400 88 G N 2.045 110.428 108.800 -0.695 0.000 2.221 88 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.265 88 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.265 88 G C 0.246 174.523 174.900 -1.038 0.000 1.041 88 G CA 0.200 44.373 45.100 -1.545 0.000 0.807 88 G HN 0.949 nan 8.290 nan 0.000 0.502 89 A N 0.072 122.528 122.820 -0.607 0.000 2.303 89 A HA 0.873 5.193 4.320 -0.000 0.000 0.317 89 A C -0.292 177.204 177.584 -0.146 0.000 1.149 89 A CA -1.003 50.849 52.037 -0.308 0.000 0.822 89 A CB 1.285 20.119 19.000 -0.277 0.000 1.131 89 A HN 0.091 nan 8.150 nan 0.000 0.493 90 P HA 0.023 nan 4.420 nan 0.000 0.229 90 P C 0.003 177.299 177.300 -0.006 0.000 1.160 90 P CA 1.044 64.180 63.100 0.060 0.000 0.777 90 P CB 0.415 32.138 31.700 0.039 0.000 0.814 91 D N -2.641 117.667 120.400 -0.153 0.000 2.893 91 D HA 0.117 4.757 4.640 -0.000 0.000 0.346 91 D C -0.641 175.484 176.300 -0.291 0.000 1.402 91 D CA -0.486 53.392 54.000 -0.203 0.000 0.815 91 D CB 0.481 41.253 40.800 -0.047 0.000 1.403 91 D HN -0.337 nan 8.370 nan 0.000 0.484 92 M N 1.041 120.479 119.600 -0.269 0.000 2.202 92 M HA 0.317 4.797 4.480 -0.000 0.000 0.316 92 M C 1.334 177.442 176.300 -0.320 0.000 1.138 92 M CA 0.072 55.181 55.300 -0.320 0.000 1.151 92 M CB 0.421 32.830 32.600 -0.318 0.000 1.422 92 M HN 0.611 nan 8.290 nan 0.000 0.471 93 A N 1.501 124.028 122.820 -0.488 0.000 1.902 93 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 93 A C 0.478 177.737 177.584 -0.540 0.000 1.181 93 A CA 1.562 53.186 52.037 -0.688 0.000 0.623 93 A CB -0.262 18.024 19.000 -1.189 0.000 0.818 93 A HN 0.580 nan 8.150 nan 0.000 0.443 94 F N -1.152 118.736 119.950 -0.104 0.000 2.449 94 F HA 0.396 4.923 4.527 -0.000 0.000 0.344 94 F C -2.249 173.506 175.800 -0.074 0.000 1.180 94 F CA -2.941 55.013 58.000 -0.077 0.000 1.209 94 F CB 0.973 39.934 39.000 -0.067 0.000 1.440 94 F HN 0.036 nan 8.300 nan 0.000 0.526 95 P HA -0.055 nan 4.420 nan 0.000 0.229 95 P C 1.789 179.114 177.300 0.041 0.000 1.160 95 P CA 0.915 64.022 63.100 0.011 0.000 0.777 95 P CB 0.343 32.039 31.700 -0.008 0.000 0.814 96 R N -0.476 120.064 120.500 0.065 0.000 2.075 96 R HA 0.119 4.459 4.340 -0.000 0.000 0.220 96 R C 2.173 178.515 176.300 0.070 0.000 1.118 96 R CA 0.754 56.889 56.100 0.057 0.000 0.986 96 R CB -0.694 29.624 30.300 0.030 0.000 0.884 96 R HN 0.052 nan 8.270 nan 0.000 0.439 97 M N 1.280 120.925 119.600 0.075 0.000 2.149 97 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 97 M C 1.711 178.070 176.300 0.097 0.000 1.064 97 M CA 1.866 57.207 55.300 0.068 0.000 1.102 97 M CB -0.265 32.366 32.600 0.052 0.000 1.369 97 M HN 0.131 nan 8.290 nan 0.000 0.408 98 N N 0.941 119.699 118.700 0.096 0.000 2.132 98 N HA -0.247 4.493 4.740 -0.000 0.000 0.191 98 N C 1.285 176.882 175.510 0.145 0.000 1.015 98 N CA 1.961 55.064 53.050 0.088 0.000 0.864 98 N CB -0.445 38.053 38.487 0.019 0.000 1.006 98 N HN 0.475 nan 8.380 nan 0.000 0.430 99 N N -0.478 118.307 118.700 0.142 0.000 2.354 99 N HA 0.024 4.764 4.740 -0.000 0.000 0.179 99 N C 1.675 177.355 175.510 0.284 0.000 1.021 99 N CA 0.537 53.715 53.050 0.213 0.000 0.887 99 N CB -0.127 38.502 38.487 0.238 0.000 0.974 99 N HN 0.323 nan 8.380 nan 0.000 0.437 100 M N -0.550 119.170 119.600 0.200 0.000 2.200 100 M HA -0.067 4.413 4.480 -0.000 0.000 0.265 100 M C 1.711 178.083 176.300 0.120 0.000 1.066 100 M CA 0.936 56.342 55.300 0.176 0.000 1.127 100 M CB -0.034 32.627 32.600 0.103 0.000 1.379 100 M HN 0.045 nan 8.290 nan 0.000 0.420 101 S N 0.661 116.435 115.700 0.123 0.000 2.381 101 S HA -0.237 4.233 4.470 -0.000 0.000 0.230 101 S C 1.490 176.103 174.600 0.022 0.000 1.052 101 S CA 2.021 60.303 58.200 0.136 0.000 1.068 101 S CB -0.701 62.648 63.200 0.248 0.000 0.918 101 S HN 0.631 nan 8.310 nan 0.000 0.448 102 F N 0.404 120.235 119.950 -0.197 0.000 2.084 102 F HA -0.046 4.481 4.527 -0.000 0.000 0.296 102 F C 1.777 177.214 175.800 -0.606 0.000 1.111 102 F CA 1.120 58.684 58.000 -0.726 0.000 1.224 102 F CB -0.584 37.800 39.000 -1.027 0.000 0.991 102 F HN 0.224 nan 8.300 nan 0.000 0.471 103 W N 0.428 121.556 121.300 -0.287 0.000 2.699 103 W HA 0.015 4.675 4.660 -0.000 0.000 0.249 103 W C 1.932 178.258 176.519 -0.322 0.000 1.280 103 W CA 0.389 57.550 57.345 -0.306 0.000 1.345 103 W CB -0.311 29.135 29.460 -0.024 0.000 1.128 103 W HN 0.024 nan 8.180 nan 0.000 0.642 104 L N -0.258 120.895 121.223 -0.117 0.000 2.376 104 L HA -0.156 4.184 4.340 -0.000 0.000 0.219 104 L C 2.050 178.814 176.870 -0.177 0.000 1.133 104 L CA 0.714 55.504 54.840 -0.083 0.000 0.816 104 L CB -0.493 41.554 42.059 -0.019 0.000 0.933 104 L HN 0.068 nan 8.230 nan 0.000 0.449 105 L N -0.443 120.501 121.223 -0.465 0.000 2.044 105 L HA -0.086 4.254 4.340 -0.000 0.000 0.205 105 L C -0.166 176.497 176.870 -0.345 0.000 1.075 105 L CA 1.069 55.590 54.840 -0.533 0.000 0.747 105 L CB -1.773 39.618 42.059 -1.112 0.000 0.903 105 L HN 0.191 nan 8.230 nan 0.000 0.435 106 P HA -0.114 nan 4.420 nan 0.000 0.215 106 P C -1.390 175.943 177.300 0.056 0.000 1.157 106 P CA 1.512 64.649 63.100 0.062 0.000 0.868 106 P CB -1.077 30.671 31.700 0.079 0.000 0.788 107 P HA -0.130 nan 4.420 nan 0.000 0.217 107 P C 1.841 179.180 177.300 0.064 0.000 1.150 107 P CA 1.652 64.778 63.100 0.042 0.000 0.832 107 P CB -0.467 31.252 31.700 0.031 0.000 0.787 108 S N -1.461 114.273 115.700 0.058 0.000 2.382 108 S HA -0.160 4.310 4.470 -0.000 0.000 0.228 108 S C 1.841 176.526 174.600 0.142 0.000 1.027 108 S CA 0.811 59.089 58.200 0.131 0.000 0.991 108 S CB -1.074 62.248 63.200 0.203 0.000 0.823 108 S HN 0.050 nan 8.310 nan 0.000 0.469 109 F N 0.790 120.542 119.950 -0.330 0.000 2.113 109 F HA -0.088 4.439 4.527 -0.000 0.000 0.297 109 F C 2.128 177.883 175.800 -0.075 0.000 1.103 109 F CA 0.969 58.688 58.000 -0.467 0.000 1.248 109 F CB -0.183 38.480 39.000 -0.562 0.000 0.999 109 F HN 0.296 nan 8.300 nan 0.000 0.475 110 L N 1.039 122.356 121.223 0.157 0.000 2.021 110 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 110 L C 2.020 178.973 176.870 0.140 0.000 1.074 110 L CA 1.858 56.752 54.840 0.091 0.000 0.760 110 L CB -0.923 41.160 42.059 0.041 0.000 0.889 110 L HN 0.170 nan 8.230 nan 0.000 0.433 111 L N -1.293 120.020 121.223 0.150 0.000 2.083 111 L HA -0.231 4.109 4.340 -0.000 0.000 0.209 111 L C 2.552 179.530 176.870 0.180 0.000 1.083 111 L CA 1.483 56.414 54.840 0.152 0.000 0.752 111 L CB -0.650 41.501 42.059 0.154 0.000 0.899 111 L HN 0.404 nan 8.230 nan 0.000 0.433 112 L N -0.322 121.049 121.223 0.247 0.000 2.046 112 L HA -0.218 4.122 4.340 -0.000 0.000 0.208 112 L C 2.413 179.455 176.870 0.285 0.000 1.077 112 L CA 1.432 56.441 54.840 0.283 0.000 0.747 112 L CB -0.055 42.282 42.059 0.463 0.000 0.896 112 L HN 0.164 nan 8.230 nan 0.000 0.432 113 L N -0.439 120.959 121.223 0.291 0.000 2.109 113 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 113 L C 2.871 179.830 176.870 0.147 0.000 1.086 113 L CA 0.876 55.842 54.840 0.211 0.000 0.760 113 L CB -0.911 41.235 42.059 0.144 0.000 0.910 113 L HN 0.340 nan 8.230 nan 0.000 0.437 114 A N 0.643 123.540 122.820 0.128 0.000 1.892 114 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 114 A C 2.572 180.225 177.584 0.116 0.000 1.188 114 A CA 2.512 54.613 52.037 0.107 0.000 0.631 114 A CB -0.958 18.101 19.000 0.100 0.000 0.822 114 A HN 0.538 nan 8.150 nan 0.000 0.447 115 S N 0.438 116.218 115.700 0.133 0.000 2.370 115 S HA -0.204 4.266 4.470 -0.000 0.000 0.226 115 S C 2.062 176.739 174.600 0.130 0.000 1.033 115 S CA 2.042 60.318 58.200 0.126 0.000 1.011 115 S CB -1.013 62.261 63.200 0.123 0.000 0.852 115 S HN 1.120 nan 8.310 nan 0.000 0.457 116 S N 0.401 116.187 115.700 0.142 0.000 2.515 116 S HA 0.154 4.624 4.470 -0.000 0.000 0.231 116 S C 1.750 176.414 174.600 0.107 0.000 0.987 116 S CA 0.591 58.870 58.200 0.133 0.000 0.936 116 S CB -0.361 62.929 63.200 0.150 0.000 0.766 116 S HN 0.396 nan 8.310 nan 0.000 0.528 117 M N 1.738 121.396 119.600 0.097 0.000 2.545 117 M HA 0.314 4.794 4.480 -0.000 0.000 0.264 117 M C 0.916 177.258 176.300 0.070 0.000 1.155 117 M CA 0.302 55.649 55.300 0.078 0.000 1.162 117 M CB -0.291 32.352 32.600 0.071 0.000 1.330 117 M HN 0.395 nan 8.290 nan 0.000 0.479 118 V N -0.400 119.560 119.914 0.077 0.000 2.686 118 V HA 0.372 4.492 4.120 -0.000 0.000 0.295 118 V C 0.707 176.844 176.094 0.072 0.000 1.057 118 V CA -0.916 61.425 62.300 0.070 0.000 1.012 118 V CB 1.017 32.883 31.823 0.072 0.000 1.006 118 V HN 0.583 nan 8.190 nan 0.000 0.477 119 E N 2.654 122.890 120.200 0.058 0.000 3.303 119 E HA -0.329 4.021 4.350 -0.000 0.000 0.309 119 E C 0.846 177.478 176.600 0.054 0.000 1.470 119 E CA 1.757 58.188 56.400 0.052 0.000 1.869 119 E CB -1.642 28.093 29.700 0.058 0.000 1.914 119 E HN 1.556 nan 8.360 nan 0.000 0.498 120 A N 1.500 124.353 122.820 0.055 0.000 2.545 120 A HA 0.519 4.839 4.320 -0.000 0.000 0.277 120 A C 0.823 178.467 177.584 0.101 0.000 1.301 120 A CA 1.499 53.570 52.037 0.057 0.000 0.935 120 A CB -0.060 18.952 19.000 0.019 0.000 1.093 120 A HN 1.448 nan 8.150 nan 0.000 0.519 121 G N -1.263 107.611 108.800 0.123 0.000 2.795 121 G HA2 0.344 4.304 3.960 -0.000 0.000 0.664 121 G HA3 0.344 4.304 3.960 -0.000 0.000 0.664 121 G C -0.012 175.018 174.900 0.216 0.000 1.381 121 G CA -0.361 44.830 45.100 0.151 0.000 0.853 121 G HN 1.722 nan 8.290 nan 0.000 0.545 122 A N 0.378 123.306 122.820 0.179 0.000 2.444 122 A HA 0.734 5.054 4.320 -0.000 0.000 0.332 122 A C 0.929 178.564 177.584 0.085 0.000 1.430 122 A CA 0.781 52.880 52.037 0.103 0.000 0.975 122 A CB 0.362 19.392 19.000 0.050 0.000 1.147 122 A HN 2.311 nan 8.150 nan 0.000 0.524 123 G N 1.691 110.620 108.800 0.216 0.000 3.860 123 G HA2 0.363 4.323 3.960 -0.000 0.000 0.269 123 G HA3 0.363 4.323 3.960 -0.000 0.000 0.269 123 G C 0.688 175.606 174.900 0.030 0.000 1.112 123 G CA 0.501 45.697 45.100 0.160 0.000 1.674 123 G HN 0.776 nan 8.290 nan 0.000 0.628 124 T N -2.477 112.007 114.554 -0.116 0.000 3.023 124 T HA 0.483 4.833 4.350 -0.000 0.000 0.253 124 T C 1.187 175.790 174.700 -0.162 0.000 1.038 124 T CA 0.361 62.349 62.100 -0.187 0.000 0.962 124 T CB 0.576 69.276 68.868 -0.281 0.000 1.018 124 T HN 1.522 nan 8.240 nan 0.000 0.521 125 G N 1.921 110.647 108.800 -0.124 0.000 2.728 125 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G C 0.284 175.015 174.900 -0.281 0.000 1.337 125 G CA -0.262 44.732 45.100 -0.177 0.000 0.861 125 G HN 0.621 nan 8.290 nan 0.000 0.597 126 W N 0.851 121.830 121.300 -0.535 0.000 2.825 126 W HA 0.019 4.679 4.660 -0.000 0.000 0.243 126 W C 1.393 177.620 176.519 -0.486 0.000 1.293 126 W CA 1.705 58.516 57.345 -0.890 0.000 1.403 126 W CB -1.453 27.444 29.460 -0.939 0.000 1.134 126 W HN 1.021 nan 8.180 nan 0.000 0.666 127 T N -1.446 112.405 114.554 -1.170 0.000 3.100 127 T HA 0.132 4.482 4.350 -0.000 0.000 0.253 127 T C 1.065 175.214 174.700 -0.920 0.000 1.118 127 T CA 0.536 61.590 62.100 -1.745 0.000 1.058 127 T CB -0.660 67.227 68.868 -1.635 0.000 0.953 127 T HN 0.116 nan 8.240 nan 0.000 0.515 128 V N 0.611 120.229 119.914 -0.494 0.000 5.325 128 V HA -0.236 3.884 4.120 -0.000 0.000 0.291 128 V C 0.135 176.021 176.094 -0.346 0.000 0.541 128 V CA 0.329 62.464 62.300 -0.276 0.000 0.687 128 V CB -2.975 28.790 31.823 -0.097 0.000 0.491 128 V HN 0.707 nan 8.190 nan 0.000 1.145 129 Y N 1.891 121.916 120.300 -0.457 0.000 2.425 129 Y HA 0.312 4.862 4.550 -0.000 0.000 0.331 129 Y C -0.858 174.764 175.900 -0.465 0.000 1.157 129 Y CA -1.919 55.873 58.100 -0.513 0.000 1.372 129 Y CB 1.205 39.526 38.460 -0.231 0.000 1.253 129 Y HN 0.266 nan 8.280 nan 0.000 0.536 130 P HA 0.175 nan 4.420 nan 0.000 0.280 130 P C -2.393 174.862 177.300 -0.075 0.000 1.272 130 P CA -1.876 61.098 63.100 -0.211 0.000 0.819 130 P CB 0.950 32.513 31.700 -0.227 0.000 1.122 131 P HA 0.006 nan 4.420 nan 0.000 0.233 131 P C 1.521 178.845 177.300 0.040 0.000 1.167 131 P CA 0.205 63.320 63.100 0.026 0.000 0.770 131 P CB -0.158 31.573 31.700 0.051 0.000 0.837 132 L N 0.350 121.602 121.223 0.048 0.000 2.079 132 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 132 L C 1.960 178.895 176.870 0.108 0.000 1.081 132 L CA 1.955 56.858 54.840 0.106 0.000 0.752 132 L CB -1.275 40.842 42.059 0.096 0.000 0.896 132 L HN -0.060 nan 8.230 nan 0.000 0.433 133 A N -0.837 121.951 122.820 -0.053 0.000 2.238 133 A HA 0.406 4.726 4.320 -0.000 0.000 0.208 133 A C 1.338 178.901 177.584 -0.035 0.000 1.177 133 A CA 0.355 52.306 52.037 -0.143 0.000 0.804 133 A CB -1.293 17.562 19.000 -0.240 0.000 0.823 133 A HN 0.467 nan 8.150 nan 0.000 0.482 134 G N -0.059 108.756 108.800 0.024 0.000 2.616 134 G HA2 0.285 4.245 3.960 -0.000 0.000 0.268 134 G HA3 0.285 4.245 3.960 -0.000 0.000 0.268 134 G C 0.565 175.511 174.900 0.076 0.000 1.213 134 G CA 0.104 45.233 45.100 0.048 0.000 0.926 134 G HN 0.449 nan 8.290 nan 0.000 0.523 135 N N -0.630 118.107 118.700 0.062 0.000 2.521 135 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 135 N C 1.464 177.005 175.510 0.052 0.000 1.146 135 N CA 0.323 53.408 53.050 0.059 0.000 0.893 135 N CB 0.105 38.620 38.487 0.046 0.000 0.975 135 N HN 0.295 nan 8.380 nan 0.000 0.451 136 L N -0.206 121.048 121.223 0.051 0.000 2.200 136 L HA 0.446 4.786 4.340 -0.000 0.000 0.200 136 L C 2.012 178.901 176.870 0.032 0.000 1.072 136 L CA 1.154 56.016 54.840 0.037 0.000 0.787 136 L CB -0.906 41.175 42.059 0.035 0.000 0.957 136 L HN 0.160 nan 8.230 nan 0.000 0.459 137 A N -2.266 120.587 122.820 0.054 0.000 2.178 137 A HA 0.026 4.346 4.320 -0.000 0.000 0.211 137 A C 0.362 177.945 177.584 -0.001 0.000 1.157 137 A CA 0.591 52.654 52.037 0.044 0.000 0.780 137 A CB -0.642 18.413 19.000 0.092 0.000 0.828 137 A HN 0.632 nan 8.150 nan 0.000 0.476 138 H N -1.008 118.072 119.070 0.018 0.000 2.825 138 H HA 0.498 5.054 4.556 -0.000 0.000 0.226 138 H C 0.211 175.551 175.328 0.020 0.000 1.414 138 H CA -0.181 55.879 56.048 0.019 0.000 1.198 138 H CB 0.324 30.094 29.762 0.013 0.000 2.013 138 H HN 0.405 nan 8.280 nan 0.000 0.530 139 A N 0.946 123.794 122.820 0.047 0.000 2.565 139 A HA 0.464 4.784 4.320 -0.000 0.000 0.237 139 A C 1.216 178.832 177.584 0.052 0.000 1.053 139 A CA 1.222 53.285 52.037 0.044 0.000 0.755 139 A CB -0.424 18.587 19.000 0.018 0.000 0.980 139 A HN 0.899 nan 8.150 nan 0.000 0.506 140 G N 0.096 108.930 108.800 0.058 0.000 2.549 140 G HA2 0.343 4.303 3.960 -0.000 0.000 0.404 140 G HA3 0.343 4.303 3.960 -0.000 0.000 0.404 140 G C 0.719 175.664 174.900 0.075 0.000 1.292 140 G CA 0.250 45.386 45.100 0.060 0.000 0.935 140 G HN 1.994 nan 8.290 nan 0.000 0.512 141 A N -0.606 122.262 122.820 0.079 0.000 2.119 141 A HA 0.369 4.689 4.320 -0.000 0.000 0.216 141 A C 2.615 180.255 177.584 0.092 0.000 1.152 141 A CA 2.443 54.534 52.037 0.090 0.000 0.708 141 A CB -0.532 18.526 19.000 0.096 0.000 0.805 141 A HN 1.450 nan 8.150 nan 0.000 0.460 142 S N -0.215 115.546 115.700 0.102 0.000 2.359 142 S HA -0.150 4.320 4.470 -0.000 0.000 0.224 142 S C 1.872 176.514 174.600 0.070 0.000 1.035 142 S CA 1.617 59.881 58.200 0.107 0.000 1.018 142 S CB -0.425 62.861 63.200 0.143 0.000 0.876 142 S HN 0.363 nan 8.310 nan 0.000 0.448 143 V N 2.523 122.468 119.914 0.051 0.000 2.427 143 V HA -0.154 3.966 4.120 -0.000 0.000 0.248 143 V C 1.992 178.036 176.094 -0.084 0.000 1.051 143 V CA 1.611 63.892 62.300 -0.031 0.000 1.048 143 V CB -0.667 31.120 31.823 -0.060 0.000 0.666 143 V HN 0.411 nan 8.190 nan 0.000 0.456 144 D N 0.137 120.497 120.400 -0.068 0.000 2.117 144 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 144 D C 2.148 178.353 176.300 -0.157 0.000 0.982 144 D CA 1.152 55.035 54.000 -0.195 0.000 0.828 144 D CB -0.110 40.646 40.800 -0.073 0.000 0.967 144 D HN 0.349 nan 8.370 nan 0.000 0.464 145 L N 0.708 121.972 121.223 0.068 0.000 2.093 145 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 145 L C 2.558 179.465 176.870 0.062 0.000 1.085 145 L CA 0.999 55.941 54.840 0.169 0.000 0.755 145 L CB -0.548 41.599 42.059 0.147 0.000 0.904 145 L HN -0.004 nan 8.230 nan 0.000 0.435 146 T N 0.190 114.724 114.554 -0.032 0.000 2.684 146 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 146 T C 1.898 176.435 174.700 -0.272 0.000 1.036 146 T CA 1.515 63.527 62.100 -0.147 0.000 1.148 146 T CB -0.206 68.602 68.868 -0.100 0.000 0.863 146 T HN 0.185 nan 8.240 nan 0.000 0.436 147 I N 0.123 120.513 120.570 -0.300 0.000 2.142 147 I HA -0.148 4.021 4.170 -0.000 0.000 0.240 147 I C 2.062 177.948 176.117 -0.385 0.000 1.078 147 I CA 1.375 62.416 61.300 -0.433 0.000 1.343 147 I CB -0.378 37.312 38.000 -0.517 0.000 1.046 147 I HN 0.151 nan 8.210 nan 0.000 0.405 148 F N 0.499 120.401 119.950 -0.080 0.000 2.126 148 F HA -0.250 4.277 4.527 -0.000 0.000 0.299 148 F C 2.955 178.738 175.800 -0.027 0.000 1.096 148 F CA 1.529 59.544 58.000 0.025 0.000 1.255 148 F CB -1.357 37.678 39.000 0.059 0.000 0.997 148 F HN 0.036 nan 8.300 nan 0.000 0.479 149 S N 0.476 116.236 115.700 0.099 0.000 2.368 149 S HA -0.225 4.245 4.470 -0.000 0.000 0.226 149 S C 2.222 176.754 174.600 -0.114 0.000 1.044 149 S CA 1.609 59.825 58.200 0.026 0.000 1.062 149 S CB -0.586 62.605 63.200 -0.015 0.000 0.931 149 S HN 0.352 nan 8.310 nan 0.000 0.440 150 L N 0.162 121.176 121.223 -0.348 0.000 2.079 150 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 150 L C 2.451 179.155 176.870 -0.276 0.000 1.081 150 L CA 1.942 56.482 54.840 -0.500 0.000 0.752 150 L CB -0.799 40.887 42.059 -0.623 0.000 0.896 150 L HN 0.498 nan 8.230 nan 0.000 0.433 151 H N -0.604 118.402 119.070 -0.107 0.000 2.352 151 H HA -0.165 4.391 4.556 -0.000 0.000 0.299 151 H C 2.304 177.622 175.328 -0.017 0.000 1.097 151 H CA 1.201 57.229 56.048 -0.033 0.000 1.311 151 H CB 0.170 29.981 29.762 0.082 0.000 1.377 151 H HN 0.224 nan 8.280 nan 0.000 0.504 152 L N -0.439 120.862 121.223 0.130 0.000 2.131 152 L HA -0.040 4.300 4.340 -0.000 0.000 0.206 152 L C 2.783 179.696 176.870 0.072 0.000 1.087 152 L CA 0.752 55.647 54.840 0.092 0.000 0.767 152 L CB -0.556 41.554 42.059 0.085 0.000 0.917 152 L HN 0.331 nan 8.230 nan 0.000 0.441 153 A N 0.630 123.485 122.820 0.057 0.000 1.902 153 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 153 A C 2.380 180.013 177.584 0.082 0.000 1.181 153 A CA 1.741 53.833 52.037 0.091 0.000 0.623 153 A CB -1.162 17.815 19.000 -0.038 0.000 0.818 153 A HN 0.424 nan 8.150 nan 0.000 0.443 154 G N -0.461 108.346 108.800 0.012 0.000 2.459 154 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 154 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 154 G C 1.538 176.480 174.900 0.070 0.000 1.183 154 G CA 1.362 46.480 45.100 0.029 0.000 0.776 154 G HN 0.328 nan 8.290 nan 0.000 0.552 155 V N 0.799 120.753 119.914 0.067 0.000 2.343 155 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 155 V C 3.057 179.197 176.094 0.077 0.000 1.051 155 V CA 2.246 64.583 62.300 0.061 0.000 1.036 155 V CB -0.432 31.418 31.823 0.046 0.000 0.654 155 V HN 0.509 nan 8.190 nan 0.000 0.451 156 S N -0.505 115.247 115.700 0.087 0.000 2.365 156 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 156 S C 2.184 176.873 174.600 0.148 0.000 1.039 156 S CA 2.432 60.697 58.200 0.108 0.000 1.033 156 S CB -0.274 62.986 63.200 0.101 0.000 0.887 156 S HN 0.589 nan 8.310 nan 0.000 0.447 157 S N 0.291 116.084 115.700 0.156 0.000 2.425 157 S HA 0.247 4.717 4.470 -0.000 0.000 0.225 157 S C 1.697 176.390 174.600 0.155 0.000 1.024 157 S CA 0.671 58.975 58.200 0.173 0.000 0.951 157 S CB -0.248 63.065 63.200 0.188 0.000 0.796 157 S HN 0.516 nan 8.310 nan 0.000 0.498 158 I N 1.419 122.066 120.570 0.128 0.000 2.286 158 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 158 I C 1.875 178.058 176.117 0.109 0.000 1.104 158 I CA 1.001 62.368 61.300 0.113 0.000 1.397 158 I CB -0.273 37.778 38.000 0.085 0.000 1.072 158 I HN 0.233 nan 8.210 nan 0.000 0.417 159 L N 0.265 121.547 121.223 0.098 0.000 2.083 159 L HA -0.122 4.218 4.340 -0.000 0.000 0.209 159 L C 2.705 179.652 176.870 0.127 0.000 1.083 159 L CA 1.495 56.391 54.840 0.093 0.000 0.752 159 L CB -1.334 40.769 42.059 0.073 0.000 0.899 159 L HN 0.323 nan 8.230 nan 0.000 0.433 160 G N -0.024 108.870 108.800 0.157 0.000 2.446 160 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.217 160 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.217 160 G C 1.772 176.821 174.900 0.249 0.000 1.168 160 G CA 0.931 46.149 45.100 0.196 0.000 0.771 160 G HN 0.473 nan 8.290 nan 0.000 0.551 161 A N 0.489 123.446 122.820 0.228 0.000 1.930 161 A HA 0.127 4.447 4.320 -0.000 0.000 0.217 161 A C 2.401 180.098 177.584 0.188 0.000 1.175 161 A CA 1.127 53.302 52.037 0.230 0.000 0.627 161 A CB -0.302 18.799 19.000 0.168 0.000 0.815 161 A HN 0.381 nan 8.150 nan 0.000 0.443 162 I N -0.121 120.544 120.570 0.159 0.000 2.286 162 I HA -0.248 3.922 4.170 -0.000 0.000 0.248 162 I C 2.460 178.690 176.117 0.188 0.000 1.115 162 I CA 1.194 62.592 61.300 0.164 0.000 1.392 162 I CB -0.357 37.736 38.000 0.154 0.000 1.065 162 I HN 0.356 nan 8.210 nan 0.000 0.418 163 N N 1.043 119.839 118.700 0.159 0.000 2.084 163 N HA -0.177 4.563 4.740 -0.000 0.000 0.190 163 N C 1.902 177.292 175.510 -0.200 0.000 1.030 163 N CA 1.731 54.781 53.050 -0.000 0.000 0.849 163 N CB -0.255 38.184 38.487 -0.080 0.000 1.012 163 N HN 0.218 nan 8.380 nan 0.000 0.423 164 F N 1.010 120.941 119.950 -0.032 0.000 2.146 164 F HA -0.010 4.517 4.527 -0.000 0.000 0.298 164 F C 2.359 178.096 175.800 -0.105 0.000 1.096 164 F CA 0.664 58.612 58.000 -0.087 0.000 1.275 164 F CB -0.163 38.790 39.000 -0.078 0.000 1.008 164 F HN 0.011 nan 8.300 nan 0.000 0.480 165 I N -0.652 119.988 120.570 0.117 0.000 2.179 165 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 165 I C 2.288 178.383 176.117 -0.038 0.000 1.088 165 I CA 1.548 62.868 61.300 0.034 0.000 1.357 165 I CB -0.810 37.225 38.000 0.058 0.000 1.051 165 I HN 0.107 nan 8.210 nan 0.000 0.409 166 T N -0.025 114.497 114.554 -0.053 0.000 2.684 166 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 166 T C 1.924 176.491 174.700 -0.222 0.000 1.036 166 T CA 2.149 64.168 62.100 -0.134 0.000 1.148 166 T CB -0.413 68.330 68.868 -0.208 0.000 0.863 166 T HN 0.356 nan 8.240 nan 0.000 0.436 167 T N 1.968 116.360 114.554 -0.270 0.000 2.708 167 T HA 0.035 4.385 4.350 -0.000 0.000 0.266 167 T C 2.015 176.597 174.700 -0.197 0.000 1.037 167 T CA 0.967 62.900 62.100 -0.279 0.000 1.146 167 T CB -0.435 68.251 68.868 -0.303 0.000 0.865 167 T HN 0.296 nan 8.240 nan 0.000 0.435 168 I N 0.777 121.258 120.570 -0.148 0.000 2.226 168 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 168 I C 2.068 178.064 176.117 -0.202 0.000 1.100 168 I CA 0.913 62.111 61.300 -0.170 0.000 1.374 168 I CB -0.282 37.621 38.000 -0.162 0.000 1.057 168 I HN 0.201 nan 8.210 nan 0.000 0.413 169 I N 0.429 120.894 120.570 -0.175 0.000 2.439 169 I HA -0.198 3.972 4.170 -0.000 0.000 0.251 169 I C 2.003 178.034 176.117 -0.143 0.000 1.139 169 I CA 1.545 62.748 61.300 -0.162 0.000 1.438 169 I CB -1.319 36.613 38.000 -0.114 0.000 1.085 169 I HN 0.319 nan 8.210 nan 0.000 0.427 170 N N -0.131 118.481 118.700 -0.147 0.000 2.250 170 N HA 0.109 4.849 4.740 -0.000 0.000 0.190 170 N C 1.098 176.523 175.510 -0.141 0.000 1.116 170 N CA 0.347 53.318 53.050 -0.132 0.000 0.881 170 N CB 0.344 38.752 38.487 -0.131 0.000 1.006 170 N HN 0.113 nan 8.380 nan 0.000 0.491 171 M N 0.097 119.598 119.600 -0.165 0.000 2.692 171 M HA 0.232 4.712 4.480 -0.000 0.000 0.372 171 M C -0.502 175.698 176.300 -0.167 0.000 1.192 171 M CA -0.230 54.970 55.300 -0.167 0.000 0.928 171 M CB 0.794 33.275 32.600 -0.199 0.000 1.366 171 M HN -0.129 nan 8.290 nan 0.000 0.517 172 K N 1.119 121.426 120.400 -0.155 0.000 2.107 172 K HA 0.427 4.747 4.320 -0.000 0.000 0.251 172 K C -2.404 174.119 176.600 -0.129 0.000 1.012 172 K CA -1.629 54.567 56.287 -0.151 0.000 0.920 172 K CB 0.135 32.549 32.500 -0.143 0.000 1.033 172 K HN -0.123 nan 8.250 nan 0.000 0.478 173 P HA 0.016 nan 4.420 nan 0.000 0.266 173 P C -2.169 175.077 177.300 -0.090 0.000 1.195 173 P CA -0.957 62.083 63.100 -0.101 0.000 0.768 173 P CB 0.150 31.795 31.700 -0.092 0.000 0.838 174 P HA -0.187 nan 4.420 nan 0.000 0.218 174 P C 1.083 178.341 177.300 -0.069 0.000 1.148 174 P CA 1.659 64.714 63.100 -0.074 0.000 0.822 174 P CB -0.248 31.409 31.700 -0.072 0.000 0.784 175 A N -1.396 121.377 122.820 -0.078 0.000 2.119 175 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 175 A C 1.329 178.887 177.584 -0.042 0.000 1.153 175 A CA 0.313 52.312 52.037 -0.063 0.000 0.692 175 A CB -1.003 17.946 19.000 -0.085 0.000 0.799 175 A HN 0.185 nan 8.150 nan 0.000 0.458 176 M N 2.033 121.603 119.600 -0.050 0.000 2.105 176 M HA 0.278 4.758 4.480 -0.000 0.000 0.350 176 M C 0.390 176.664 176.300 -0.042 0.000 1.308 176 M CA -0.260 55.017 55.300 -0.038 0.000 1.108 176 M CB 0.642 33.212 32.600 -0.050 0.000 1.622 176 M HN 0.405 nan 8.290 nan 0.000 0.468 177 S N 3.381 119.076 115.700 -0.008 0.000 2.645 177 S HA 0.142 4.612 4.470 -0.000 0.000 0.266 177 S C 0.659 175.206 174.600 -0.087 0.000 1.258 177 S CA -0.450 57.734 58.200 -0.026 0.000 0.990 177 S CB 1.391 64.631 63.200 0.067 0.000 0.967 177 S HN 0.829 nan 8.310 nan 0.000 0.556 178 Q N -0.151 119.499 119.800 -0.251 0.000 2.226 178 Q HA -0.017 4.322 4.340 -0.000 0.000 0.204 178 Q C 0.452 176.413 176.000 -0.065 0.000 0.975 178 Q CA 1.670 57.244 55.803 -0.382 0.000 0.866 178 Q CB -0.592 27.783 28.738 -0.605 0.000 0.915 178 Q HN 0.858 nan 8.270 nan 0.000 0.440 179 Y N -0.532 120.016 120.300 0.413 0.000 2.471 179 Y HA 0.186 4.736 4.550 -0.000 0.000 0.321 179 Y C 0.523 176.598 175.900 0.291 0.000 1.195 179 Y CA 0.184 58.614 58.100 0.549 0.000 1.272 179 Y CB 0.028 38.713 38.460 0.375 0.000 1.097 179 Y HN 0.120 nan 8.280 nan 0.000 0.507 180 Q N -0.381 119.578 119.800 0.266 0.000 2.086 180 Q HA 0.134 4.474 4.340 -0.000 0.000 0.220 180 Q C 0.156 176.243 176.000 0.145 0.000 0.792 180 Q CA -0.201 55.667 55.803 0.108 0.000 1.062 180 Q CB 0.955 29.724 28.738 0.052 0.000 1.198 180 Q HN 0.307 nan 8.270 nan 0.000 0.466 181 T N -2.376 112.334 114.554 0.261 0.000 2.929 181 T HA 0.601 4.951 4.350 -0.000 0.000 0.284 181 T C -2.644 172.327 174.700 0.453 0.000 1.014 181 T CA -2.335 59.884 62.100 0.198 0.000 1.051 181 T CB 1.705 70.519 68.868 -0.089 0.000 1.028 181 T HN -0.249 nan 8.240 nan 0.000 0.485 182 P HA 0.233 nan 4.420 nan 0.000 0.272 182 P C 1.039 178.743 177.300 0.674 0.000 1.230 182 P CA -0.546 62.890 63.100 0.561 0.000 0.788 182 P CB 0.451 32.509 31.700 0.597 0.000 0.949 183 L N 0.643 122.281 121.223 0.691 0.000 2.127 183 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 183 L C 2.166 179.388 176.870 0.587 0.000 1.089 183 L CA 1.433 56.621 54.840 0.580 0.000 0.757 183 L CB -0.716 41.586 42.059 0.405 0.000 0.899 183 L HN 0.375 nan 8.230 nan 0.000 0.434 184 F N 0.555 120.810 119.950 0.509 0.000 2.126 184 F HA -0.191 4.336 4.527 -0.000 0.000 0.299 184 F C 2.212 178.082 175.800 0.117 0.000 1.096 184 F CA 1.467 59.559 58.000 0.153 0.000 1.255 184 F CB -0.353 38.474 39.000 -0.287 0.000 0.997 184 F HN -0.243 nan 8.300 nan 0.000 0.479 185 V N -0.971 118.971 119.914 0.047 0.000 2.307 185 V HA -0.310 3.810 4.120 -0.000 0.000 0.245 185 V C 2.124 178.133 176.094 -0.142 0.000 1.045 185 V CA 1.972 64.177 62.300 -0.159 0.000 1.024 185 V CB -1.158 30.634 31.823 -0.052 0.000 0.651 185 V HN 0.488 nan 8.190 nan 0.000 0.449 186 W N 0.972 122.260 121.300 -0.021 0.000 2.325 186 W HA -0.268 4.392 4.660 -0.000 0.000 0.299 186 W C 3.003 179.483 176.519 -0.064 0.000 1.215 186 W CA 2.102 59.434 57.345 -0.021 0.000 1.244 186 W CB -0.503 28.968 29.460 0.019 0.000 1.140 186 W HN 0.396 nan 8.180 nan 0.000 0.523 187 S N -0.817 114.973 115.700 0.149 0.000 2.406 187 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 187 S C 1.684 176.204 174.600 -0.134 0.000 1.020 187 S CA 1.354 59.588 58.200 0.057 0.000 0.965 187 S CB -0.826 62.448 63.200 0.124 0.000 0.798 187 S HN 0.048 nan 8.310 nan 0.000 0.488 188 V N 1.880 121.566 119.914 -0.380 0.000 2.379 188 V HA -0.078 4.042 4.120 -0.000 0.000 0.245 188 V C 2.624 178.558 176.094 -0.267 0.000 1.044 188 V CA 2.080 64.081 62.300 -0.498 0.000 1.036 188 V CB -0.748 30.563 31.823 -0.853 0.000 0.664 188 V HN 0.549 nan 8.190 nan 0.000 0.453 189 M N -0.318 119.185 119.600 -0.161 0.000 2.080 189 M HA -0.205 4.275 4.480 -0.000 0.000 0.260 189 M C 2.095 178.412 176.300 0.028 0.000 1.068 189 M CA 2.173 57.437 55.300 -0.060 0.000 1.109 189 M CB -0.271 32.275 32.600 -0.091 0.000 1.342 189 M HN 0.242 nan 8.290 nan 0.000 0.405 190 I N -0.623 120.002 120.570 0.093 0.000 2.179 190 I HA -0.312 3.858 4.170 -0.000 0.000 0.242 190 I C 2.213 178.387 176.117 0.095 0.000 1.088 190 I CA 1.653 63.034 61.300 0.135 0.000 1.357 190 I CB -0.824 37.281 38.000 0.176 0.000 1.051 190 I HN 0.347 nan 8.210 nan 0.000 0.409 191 T N 0.795 115.369 114.554 0.032 0.000 2.665 191 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 191 T C 2.015 176.732 174.700 0.029 0.000 1.035 191 T CA 1.802 63.904 62.100 0.002 0.000 1.151 191 T CB -0.380 68.439 68.868 -0.082 0.000 0.862 191 T HN 0.521 nan 8.240 nan 0.000 0.438 192 A N 0.597 123.426 122.820 0.014 0.000 1.930 192 A HA -0.014 4.306 4.320 -0.000 0.000 0.217 192 A C 2.580 180.233 177.584 0.114 0.000 1.175 192 A CA 1.200 53.279 52.037 0.071 0.000 0.627 192 A CB -0.871 18.182 19.000 0.089 0.000 0.815 192 A HN 0.369 nan 8.150 nan 0.000 0.443 193 V N 0.417 120.401 119.914 0.117 0.000 2.407 193 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 193 V C 2.537 178.757 176.094 0.211 0.000 1.055 193 V CA 1.785 64.170 62.300 0.142 0.000 1.049 193 V CB -0.700 31.207 31.823 0.140 0.000 0.662 193 V HN 0.565 nan 8.190 nan 0.000 0.455 194 L N -0.869 120.499 121.223 0.242 0.000 2.046 194 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 194 L C 2.448 179.485 176.870 0.277 0.000 1.077 194 L CA 1.589 56.626 54.840 0.329 0.000 0.747 194 L CB -0.662 41.487 42.059 0.150 0.000 0.896 194 L HN 0.319 nan 8.230 nan 0.000 0.432 195 L N -0.505 120.830 121.223 0.185 0.000 2.012 195 L HA -0.271 4.069 4.340 -0.000 0.000 0.210 195 L C 2.647 179.640 176.870 0.204 0.000 1.073 195 L CA 1.026 55.980 54.840 0.191 0.000 0.748 195 L CB -0.511 41.640 42.059 0.153 0.000 0.891 195 L HN 0.223 nan 8.230 nan 0.000 0.431 196 L N -0.211 121.119 121.223 0.179 0.000 2.013 196 L HA -0.250 4.090 4.340 -0.000 0.000 0.212 196 L C 2.331 179.296 176.870 0.158 0.000 1.073 196 L CA 1.855 56.784 54.840 0.148 0.000 0.753 196 L CB -0.302 41.830 42.059 0.122 0.000 0.890 196 L HN 0.121 nan 8.230 nan 0.000 0.432 197 L N -1.419 119.926 121.223 0.203 0.000 2.156 197 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 197 L C 2.464 179.543 176.870 0.350 0.000 1.095 197 L CA 1.161 56.121 54.840 0.200 0.000 0.770 197 L CB -0.607 41.455 42.059 0.004 0.000 0.914 197 L HN 0.473 nan 8.230 nan 0.000 0.439 198 S N -0.762 115.190 115.700 0.421 0.000 2.460 198 S HA 0.045 4.515 4.470 -0.000 0.000 0.226 198 S C 1.896 176.706 174.600 0.350 0.000 1.057 198 S CA -0.033 58.437 58.200 0.451 0.000 0.948 198 S CB -0.494 62.904 63.200 0.330 0.000 0.822 198 S HN 0.245 nan 8.310 nan 0.000 0.512 199 L N 1.754 123.136 121.223 0.265 0.000 2.131 199 L HA 0.042 4.382 4.340 -0.000 0.000 0.210 199 L C -0.896 175.964 176.870 -0.016 0.000 1.092 199 L CA 1.023 55.886 54.840 0.038 0.000 0.759 199 L CB -1.340 40.754 42.059 0.058 0.000 0.903 199 L HN 0.286 nan 8.230 nan 0.000 0.435 200 P HA -0.090 nan 4.420 nan 0.000 0.221 200 P C 1.814 179.109 177.300 -0.008 0.000 1.150 200 P CA 0.875 63.987 63.100 0.020 0.000 0.800 200 P CB 0.182 31.905 31.700 0.039 0.000 0.787 201 V N -0.401 119.532 119.914 0.032 0.000 2.379 201 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 201 V C 2.317 178.353 176.094 -0.096 0.000 1.044 201 V CA 1.316 63.611 62.300 -0.008 0.000 1.036 201 V CB -1.183 30.712 31.823 0.121 0.000 0.664 201 V HN 0.059 nan 8.190 nan 0.000 0.453 202 L N 1.241 122.352 121.223 -0.186 0.000 2.042 202 L HA -0.107 4.233 4.340 -0.000 0.000 0.210 202 L C 2.461 179.176 176.870 -0.258 0.000 1.076 202 L CA 2.404 57.017 54.840 -0.378 0.000 0.749 202 L CB -0.889 40.655 42.059 -0.858 0.000 0.893 202 L HN 0.209 nan 8.230 nan 0.000 0.432 203 A N -0.268 122.442 122.820 -0.183 0.000 1.908 203 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 203 A C 2.480 180.070 177.584 0.010 0.000 1.181 203 A CA 2.093 54.108 52.037 -0.036 0.000 0.627 203 A CB -1.276 17.750 19.000 0.044 0.000 0.818 203 A HN 0.636 nan 8.150 nan 0.000 0.445 204 A N -0.684 122.108 122.820 -0.047 0.000 1.902 204 A HA 0.117 4.437 4.320 -0.000 0.000 0.217 204 A C 2.414 179.950 177.584 -0.080 0.000 1.181 204 A CA 1.990 53.984 52.037 -0.071 0.000 0.623 204 A CB -1.329 17.609 19.000 -0.103 0.000 0.818 204 A HN 0.751 nan 8.150 nan 0.000 0.443 205 G N 0.439 109.192 108.800 -0.077 0.000 2.403 205 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.216 205 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.216 205 G C 1.498 176.491 174.900 0.154 0.000 1.154 205 G CA 1.021 46.124 45.100 0.005 0.000 0.784 205 G HN 0.804 nan 8.290 nan 0.000 0.538 206 I N -1.553 119.048 120.570 0.051 0.000 2.761 206 I HA 0.029 4.199 4.170 -0.000 0.000 0.261 206 I C 2.218 178.351 176.117 0.026 0.000 1.198 206 I CA 1.334 62.663 61.300 0.048 0.000 1.482 206 I CB -0.600 37.304 38.000 -0.160 0.000 1.100 206 I HN -0.100 nan 8.210 nan 0.000 0.445 207 T N 1.565 116.161 114.554 0.070 0.000 2.777 207 T HA -0.016 4.334 4.350 -0.000 0.000 0.266 207 T C 1.917 176.637 174.700 0.032 0.000 1.040 207 T CA 1.760 63.920 62.100 0.100 0.000 1.141 207 T CB -0.206 68.724 68.868 0.103 0.000 0.868 207 T HN 0.331 nan 8.240 nan 0.000 0.444 208 M N 0.282 119.846 119.600 -0.060 0.000 2.229 208 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 208 M C 2.166 178.528 176.300 0.103 0.000 1.063 208 M CA 1.008 56.183 55.300 -0.208 0.000 1.114 208 M CB -0.324 31.826 32.600 -0.750 0.000 1.387 208 M HN 0.158 nan 8.290 nan 0.000 0.420 209 L N 0.283 121.698 121.223 0.321 0.000 2.109 209 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 209 L C 2.070 179.011 176.870 0.119 0.000 1.086 209 L CA 1.485 56.514 54.840 0.315 0.000 0.760 209 L CB -0.611 41.584 42.059 0.226 0.000 0.910 209 L HN 0.193 nan 8.230 nan 0.000 0.437 210 L N -0.717 120.537 121.223 0.053 0.000 2.056 210 L HA -0.169 4.171 4.340 -0.000 0.000 0.207 210 L C 2.598 179.499 176.870 0.051 0.000 1.078 210 L CA 2.386 57.221 54.840 -0.008 0.000 0.749 210 L CB -0.923 41.104 42.059 -0.053 0.000 0.901 210 L HN 0.590 nan 8.230 nan 0.000 0.433 211 T N -4.469 110.143 114.554 0.097 0.000 2.821 211 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 211 T C 1.644 176.402 174.700 0.096 0.000 1.046 211 T CA 1.272 63.441 62.100 0.115 0.000 1.139 211 T CB -0.636 68.341 68.868 0.181 0.000 0.871 211 T HN 0.274 nan 8.240 nan 0.000 0.454 212 D N 1.356 121.825 120.400 0.116 0.000 2.149 212 D HA -0.008 4.632 4.640 -0.000 0.000 0.198 212 D C 2.443 178.777 176.300 0.058 0.000 0.990 212 D CA 0.934 54.978 54.000 0.073 0.000 0.839 212 D CB -0.199 40.666 40.800 0.107 0.000 0.948 212 D HN 0.455 nan 8.370 nan 0.000 0.460 213 R N -0.361 120.175 120.500 0.061 0.000 2.193 213 R HA 0.137 4.477 4.340 -0.000 0.000 0.213 213 R C 1.057 177.382 176.300 0.041 0.000 1.055 213 R CA 0.696 56.823 56.100 0.045 0.000 0.995 213 R CB 0.226 30.543 30.300 0.029 0.000 0.893 213 R HN 0.155 nan 8.270 nan 0.000 0.459 214 N N -1.047 117.680 118.700 0.045 0.000 2.166 214 N HA 0.121 4.861 4.740 -0.000 0.000 0.222 214 N C 0.535 176.072 175.510 0.045 0.000 1.282 214 N CA 0.256 53.336 53.050 0.049 0.000 0.890 214 N CB 1.226 39.753 38.487 0.066 0.000 1.114 214 N HN 0.081 nan 8.380 nan 0.000 0.494 215 L N 0.764 122.011 121.223 0.040 0.000 3.122 215 L HA 0.300 4.640 4.340 -0.000 0.000 0.274 215 L C -0.258 176.613 176.870 0.002 0.000 1.222 215 L CA -0.061 54.796 54.840 0.027 0.000 1.028 215 L CB 0.116 42.199 42.059 0.040 0.000 1.386 215 L HN -0.084 nan 8.230 nan 0.000 0.578 216 N N 0.773 119.470 118.700 -0.004 0.000 2.747 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.249 216 N C 0.470 175.936 175.510 -0.072 0.000 1.107 216 N CA 1.357 54.390 53.050 -0.028 0.000 0.707 216 N CB -1.416 37.057 38.487 -0.024 0.000 1.054 216 N HN 0.561 nan 8.380 nan 0.000 0.555 217 T N -2.714 111.787 114.554 -0.088 0.000 2.847 217 T HA 0.571 4.921 4.350 -0.000 0.000 0.279 217 T C 1.104 175.668 174.700 -0.227 0.000 0.984 217 T CA 0.132 62.091 62.100 -0.236 0.000 0.988 217 T CB 1.707 70.394 68.868 -0.301 0.000 1.040 217 T HN 0.235 nan 8.240 nan 0.000 0.528 218 T N -1.506 112.824 114.554 -0.375 0.000 3.697 218 T HA 0.330 4.680 4.350 -0.000 0.000 0.260 218 T C 0.591 175.126 174.700 -0.275 0.000 0.998 218 T CA -0.663 61.299 62.100 -0.231 0.000 1.128 218 T CB -0.959 67.820 68.868 -0.149 0.000 1.082 218 T HN 0.480 nan 8.240 nan 0.000 0.541 219 F N 0.639 120.367 119.950 -0.371 0.000 2.161 219 F HA 0.072 4.599 4.527 -0.000 0.000 0.300 219 F C 1.267 176.835 175.800 -0.385 0.000 1.089 219 F CA 1.116 58.789 58.000 -0.545 0.000 1.282 219 F CB -0.235 38.104 39.000 -1.102 0.000 1.010 219 F HN 0.358 nan 8.300 nan 0.000 0.485 220 F N -1.392 118.688 119.950 0.217 0.000 2.654 220 F HA 0.217 4.744 4.527 -0.000 0.000 0.303 220 F C 0.059 175.902 175.800 0.070 0.000 1.099 220 F CA -0.892 57.189 58.000 0.134 0.000 1.270 220 F CB -0.312 38.754 39.000 0.109 0.000 1.024 220 F HN -0.258 nan 8.300 nan 0.000 0.548 221 D N 1.968 122.458 120.400 0.151 0.000 2.414 221 D HA 0.266 4.906 4.640 -0.000 0.000 0.232 221 D C -1.882 174.455 176.300 0.061 0.000 1.070 221 D CA -2.621 51.435 54.000 0.093 0.000 0.839 221 D CB 2.125 42.953 40.800 0.047 0.000 1.079 221 D HN -0.144 nan 8.370 nan 0.000 0.521 222 P HA -0.150 nan 4.420 nan 0.000 0.218 222 P C 1.072 178.390 177.300 0.031 0.000 1.146 222 P CA 0.955 64.087 63.100 0.054 0.000 0.813 222 P CB 0.160 31.895 31.700 0.057 0.000 0.778 223 A N 0.025 122.860 122.820 0.024 0.000 2.019 223 A HA -0.023 4.297 4.320 -0.000 0.000 0.219 223 A C 2.280 179.862 177.584 -0.004 0.000 1.164 223 A CA 1.810 53.853 52.037 0.011 0.000 0.644 223 A CB -1.567 17.439 19.000 0.009 0.000 0.805 223 A HN 0.338 nan 8.150 nan 0.000 0.449 224 G N -2.430 106.360 108.800 -0.016 0.000 3.337 224 G HA2 0.413 4.373 3.960 -0.000 0.000 0.246 224 G HA3 0.413 4.373 3.960 -0.000 0.000 0.246 224 G C 0.971 175.847 174.900 -0.040 0.000 1.131 224 G CA 0.413 45.487 45.100 -0.043 0.000 0.773 224 G HN 1.568 nan 8.290 nan 0.000 0.544 225 G N -1.206 107.588 108.800 -0.010 0.000 2.141 225 G HA2 0.011 3.971 3.960 -0.000 0.000 0.242 225 G HA3 0.011 3.971 3.960 -0.000 0.000 0.242 225 G C 0.708 175.620 174.900 0.020 0.000 0.982 225 G CA 0.168 45.270 45.100 0.003 0.000 0.662 225 G HN 0.981 nan 8.290 nan 0.000 0.527 226 G N -1.123 107.694 108.800 0.028 0.000 2.532 226 G HA2 0.573 4.533 3.960 -0.000 0.000 0.291 226 G HA3 0.573 4.533 3.960 -0.000 0.000 0.291 226 G C -1.022 173.961 174.900 0.138 0.000 1.349 226 G CA 0.385 45.531 45.100 0.077 0.000 1.038 226 G HN 0.420 nan 8.290 nan 0.000 0.518 227 D N -1.456 119.084 120.400 0.232 0.000 2.764 227 D HA 0.325 4.965 4.640 -0.000 0.000 0.227 227 D C -2.050 174.420 176.300 0.283 0.000 1.347 227 D CA -1.518 52.613 54.000 0.218 0.000 0.953 227 D CB 2.238 43.163 40.800 0.208 0.000 1.476 227 D HN -0.063 nan 8.370 nan 0.000 0.585 228 P HA -0.066 nan 4.420 nan 0.000 0.219 228 P C 1.529 178.800 177.300 -0.048 0.000 1.146 228 P CA 0.507 63.645 63.100 0.062 0.000 0.808 228 P CB 0.394 32.100 31.700 0.010 0.000 0.779 229 I N -1.474 119.103 120.570 0.011 0.000 2.617 229 I HA -0.090 4.080 4.170 -0.000 0.000 0.256 229 I C 2.140 178.275 176.117 0.031 0.000 1.167 229 I CA 0.666 61.932 61.300 -0.056 0.000 1.469 229 I CB -1.552 36.452 38.000 0.008 0.000 1.098 229 I HN -0.011 nan 8.210 nan 0.000 0.436 230 L N 1.024 122.372 121.223 0.207 0.000 2.013 230 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 230 L C 2.671 179.608 176.870 0.112 0.000 1.073 230 L CA 1.983 57.005 54.840 0.303 0.000 0.753 230 L CB -1.244 41.058 42.059 0.406 0.000 0.890 230 L HN 0.245 nan 8.230 nan 0.000 0.432 231 Y N 0.294 120.401 120.300 -0.321 0.000 2.139 231 Y HA -0.357 4.193 4.550 -0.000 0.000 0.282 231 Y C 2.559 178.244 175.900 -0.359 0.000 1.179 231 Y CA 2.418 60.074 58.100 -0.741 0.000 1.161 231 Y CB -0.283 37.333 38.460 -1.407 0.000 0.970 231 Y HN 0.444 nan 8.280 nan 0.000 0.511 232 Q N -1.219 118.413 119.800 -0.280 0.000 2.050 232 Q HA -0.240 4.100 4.340 -0.000 0.000 0.202 232 Q C 2.093 178.107 176.000 0.023 0.000 0.980 232 Q CA 1.518 57.194 55.803 -0.213 0.000 0.840 232 Q CB -0.409 28.157 28.738 -0.288 0.000 0.898 232 Q HN 0.632 nan 8.270 nan 0.000 0.424 233 H N 0.687 119.827 119.070 0.117 0.000 2.352 233 H HA -0.116 4.440 4.556 -0.000 0.000 0.299 233 H C 2.254 177.548 175.328 -0.058 0.000 1.097 233 H CA 1.249 57.410 56.048 0.188 0.000 1.311 233 H CB -0.241 29.622 29.762 0.169 0.000 1.377 233 H HN 0.213 nan 8.280 nan 0.000 0.504 234 L N -0.606 120.594 121.223 -0.038 0.000 2.017 234 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 234 L C 2.565 179.308 176.870 -0.213 0.000 1.073 234 L CA 1.220 55.958 54.840 -0.171 0.000 0.745 234 L CB -0.608 41.321 42.059 -0.216 0.000 0.894 234 L HN 0.104 nan 8.230 nan 0.000 0.432 235 F N -0.088 119.521 119.950 -0.569 0.000 2.046 235 F HA -0.266 4.261 4.527 -0.000 0.000 0.297 235 F C 2.144 177.718 175.800 -0.376 0.000 1.123 235 F CA 1.651 59.287 58.000 -0.607 0.000 1.199 235 F CB -0.525 37.910 39.000 -0.943 0.000 0.972 235 F HN -0.038 nan 8.300 nan 0.000 0.474 236 W N -0.883 120.502 121.300 0.141 0.000 2.392 236 W HA -0.202 4.458 4.660 -0.000 0.000 0.279 236 W C 2.293 178.803 176.519 -0.015 0.000 1.225 236 W CA 0.805 58.190 57.345 0.068 0.000 1.233 236 W CB -0.668 28.953 29.460 0.268 0.000 1.122 236 W HN 0.145 nan 8.180 nan 0.000 0.561 237 F N -0.309 119.577 119.950 -0.107 0.000 2.293 237 F HA -0.187 4.340 4.527 -0.000 0.000 0.300 237 F C 2.118 177.874 175.800 -0.073 0.000 1.086 237 F CA 1.466 59.303 58.000 -0.272 0.000 1.375 237 F CB -0.516 38.158 39.000 -0.544 0.000 1.045 237 F HN -0.044 nan 8.300 nan 0.000 0.516 238 F N 0.297 120.132 119.950 -0.191 0.000 2.219 238 F HA 0.199 4.726 4.527 -0.000 0.000 0.294 238 F C 2.207 177.791 175.800 -0.360 0.000 1.086 238 F CA 1.494 59.315 58.000 -0.300 0.000 1.330 238 F CB -1.094 37.672 39.000 -0.389 0.000 1.047 238 F HN -0.120 nan 8.300 nan 0.000 0.495 239 G N -1.114 107.211 108.800 -0.793 0.000 2.422 239 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 239 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 239 G C 1.389 176.131 174.900 -0.263 0.000 1.140 239 G CA 1.039 45.637 45.100 -0.836 0.000 0.775 239 G HN 0.538 nan 8.290 nan 0.000 0.545 240 H N 1.688 120.757 119.070 -0.001 0.000 2.307 240 H HA 0.023 4.579 4.556 -0.000 0.000 0.303 240 H C 0.142 175.418 175.328 -0.086 0.000 1.073 240 H CA 1.490 57.587 56.048 0.081 0.000 1.338 240 H CB -0.562 29.331 29.762 0.220 0.000 1.389 240 H HN 0.237 nan 8.280 nan 0.000 0.503 241 P HA -0.181 nan 4.420 nan 0.000 0.216 241 P C 1.260 178.291 177.300 -0.447 0.000 1.150 241 P CA 1.994 64.820 63.100 -0.456 0.000 0.843 241 P CB 0.005 31.189 31.700 -0.861 0.000 0.787 242 E N 0.112 119.892 120.200 -0.702 0.000 2.114 242 E HA -0.196 4.154 4.350 -0.000 0.000 0.199 242 E C 1.685 177.981 176.600 -0.508 0.000 1.008 242 E CA 1.837 57.828 56.400 -0.682 0.000 0.810 242 E CB -1.218 27.846 29.700 -1.060 0.000 0.739 242 E HN 0.172 nan 8.360 nan 0.000 0.456 243 V N -1.541 118.027 119.914 -0.577 0.000 2.719 243 V HA -0.111 4.009 4.120 -0.000 0.000 0.252 243 V C 1.850 177.536 176.094 -0.680 0.000 1.065 243 V CA 1.395 63.333 62.300 -0.603 0.000 1.086 243 V CB -1.003 30.440 31.823 -0.634 0.000 0.700 243 V HN 0.202 nan 8.190 nan 0.000 0.467 244 Y N 0.596 120.700 120.300 -0.326 0.000 2.263 244 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 244 Y C 2.328 178.101 175.900 -0.211 0.000 1.130 244 Y CA 1.642 59.621 58.100 -0.202 0.000 1.179 244 Y CB -0.530 37.862 38.460 -0.113 0.000 0.998 244 Y HN 0.186 nan 8.280 nan 0.000 0.532 245 I N -0.407 120.084 120.570 -0.132 0.000 2.163 245 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 245 I C 2.076 178.088 176.117 -0.175 0.000 1.085 245 I CA 1.493 62.714 61.300 -0.131 0.000 1.347 245 I CB -0.431 37.487 38.000 -0.136 0.000 1.044 245 I HN 0.193 nan 8.210 nan 0.000 0.408 246 L N -0.616 120.459 121.223 -0.246 0.000 2.201 246 L HA -0.173 4.167 4.340 -0.000 0.000 0.212 246 L C 2.306 179.047 176.870 -0.214 0.000 1.105 246 L CA 0.861 55.561 54.840 -0.233 0.000 0.775 246 L CB -0.184 41.694 42.059 -0.301 0.000 0.913 246 L HN 0.260 nan 8.230 nan 0.000 0.440 247 I N -0.999 119.395 120.570 -0.292 0.000 2.867 247 I HA -0.096 4.074 4.170 -0.000 0.000 0.265 247 I C 2.055 177.826 176.117 -0.578 0.000 1.162 247 I CA 0.957 62.001 61.300 -0.426 0.000 1.471 247 I CB 0.134 37.791 38.000 -0.572 0.000 1.123 247 I HN 0.026 nan 8.210 nan 0.000 0.440 248 L N 1.022 122.016 121.223 -0.381 0.000 2.046 248 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 248 L C -0.517 176.339 176.870 -0.023 0.000 1.077 248 L CA 1.472 56.183 54.840 -0.214 0.000 0.747 248 L CB -1.599 40.453 42.059 -0.012 0.000 0.896 248 L HN 0.194 nan 8.230 nan 0.000 0.432 249 P HA -0.076 nan 4.420 nan 0.000 0.226 249 P C 1.434 178.840 177.300 0.178 0.000 1.153 249 P CA 1.267 64.437 63.100 0.116 0.000 0.777 249 P CB -0.080 31.679 31.700 0.099 0.000 0.794 250 G N -1.213 107.599 108.800 0.021 0.000 2.394 250 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 250 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 250 G C 1.421 176.293 174.900 -0.046 0.000 1.165 250 G CA 0.127 45.197 45.100 -0.049 0.000 0.784 250 G HN 0.220 nan 8.290 nan 0.000 0.535 251 F N 1.387 121.315 119.950 -0.036 0.000 2.126 251 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 251 F C 2.999 178.929 175.800 0.216 0.000 1.096 251 F CA 0.341 58.405 58.000 0.106 0.000 1.255 251 F CB -0.153 39.017 39.000 0.283 0.000 0.997 251 F HN 0.268 nan 8.300 nan 0.000 0.479 252 G N 0.389 109.470 108.800 0.467 0.000 2.433 252 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.216 252 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.216 252 G C 1.579 176.770 174.900 0.484 0.000 1.186 252 G CA 0.836 46.257 45.100 0.536 0.000 0.779 252 G HN 0.195 nan 8.290 nan 0.000 0.543 253 M N 0.151 119.921 119.600 0.283 0.000 2.108 253 M HA -0.031 4.449 4.480 -0.000 0.000 0.261 253 M C 2.560 178.886 176.300 0.043 0.000 1.066 253 M CA 1.013 56.371 55.300 0.098 0.000 1.107 253 M CB -0.440 32.102 32.600 -0.097 0.000 1.356 253 M HN 0.120 nan 8.290 nan 0.000 0.406 254 I N 0.044 120.518 120.570 -0.159 0.000 2.118 254 I HA -0.280 3.890 4.170 -0.000 0.000 0.241 254 I C 2.490 178.472 176.117 -0.226 0.000 1.070 254 I CA 1.657 62.695 61.300 -0.437 0.000 1.327 254 I CB -1.417 35.930 38.000 -1.088 0.000 1.034 254 I HN 0.263 nan 8.210 nan 0.000 0.405 255 S N -0.590 115.173 115.700 0.104 0.000 2.383 255 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 255 S C 1.896 176.639 174.600 0.238 0.000 1.030 255 S CA 1.057 59.479 58.200 0.370 0.000 1.002 255 S CB -0.452 63.074 63.200 0.543 0.000 0.829 255 S HN 0.471 nan 8.310 nan 0.000 0.467 256 H N 0.278 119.457 119.070 0.181 0.000 2.357 256 H HA 0.051 4.607 4.556 -0.000 0.000 0.301 256 H C 2.150 177.462 175.328 -0.027 0.000 1.082 256 H CA 1.396 57.550 56.048 0.177 0.000 1.342 256 H CB -0.148 29.813 29.762 0.331 0.000 1.389 256 H HN 0.363 nan 8.280 nan 0.000 0.511 257 I N 0.087 120.628 120.570 -0.048 0.000 2.202 257 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 257 I C 2.586 178.699 176.117 -0.005 0.000 1.091 257 I CA 0.641 61.828 61.300 -0.187 0.000 1.368 257 I CB -0.239 37.623 38.000 -0.231 0.000 1.058 257 I HN -0.015 nan 8.210 nan 0.000 0.410 258 V N 0.613 120.509 119.914 -0.030 0.000 2.287 258 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 258 V C 2.548 178.670 176.094 0.047 0.000 1.053 258 V CA 2.595 64.900 62.300 0.007 0.000 1.027 258 V CB -0.994 30.820 31.823 -0.015 0.000 0.646 258 V HN 0.476 nan 8.190 nan 0.000 0.447 259 T N -1.061 113.533 114.554 0.066 0.000 2.635 259 T HA -0.298 4.052 4.350 -0.000 0.000 0.267 259 T C 1.735 176.421 174.700 -0.024 0.000 1.040 259 T CA 2.466 64.596 62.100 0.051 0.000 1.156 259 T CB -0.442 68.461 68.868 0.058 0.000 0.863 259 T HN 0.590 nan 8.240 nan 0.000 0.430 260 Y N 0.349 120.535 120.300 -0.190 0.000 2.145 260 Y HA -0.172 4.378 4.550 -0.000 0.000 0.286 260 Y C 1.658 177.277 175.900 -0.468 0.000 1.145 260 Y CA 1.331 59.210 58.100 -0.370 0.000 1.148 260 Y CB -0.201 37.905 38.460 -0.590 0.000 0.981 260 Y HN 0.272 nan 8.280 nan 0.000 0.507 261 Y N -1.102 119.204 120.300 0.011 0.000 2.466 261 Y HA 0.115 4.665 4.550 -0.000 0.000 0.272 261 Y C 2.030 177.831 175.900 -0.165 0.000 1.169 261 Y CA 0.453 58.507 58.100 -0.076 0.000 1.285 261 Y CB 0.063 38.464 38.460 -0.099 0.000 1.078 261 Y HN 0.004 nan 8.280 nan 0.000 0.523 262 S N -0.760 114.913 115.700 -0.044 0.000 2.593 262 S HA 0.170 4.640 4.470 -0.000 0.000 0.217 262 S C 1.700 176.234 174.600 -0.110 0.000 0.966 262 S CA 0.640 58.796 58.200 -0.073 0.000 0.914 262 S CB -0.201 62.981 63.200 -0.029 0.000 0.776 262 S HN 0.661 nan 8.310 nan 0.000 0.523 263 G N 2.071 110.757 108.800 -0.191 0.000 2.198 263 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.257 263 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.257 263 G C -0.211 174.593 174.900 -0.159 0.000 1.042 263 G CA -0.058 44.912 45.100 -0.216 0.000 0.791 263 G HN 0.271 nan 8.290 nan 0.000 0.502 264 K N -0.191 120.128 120.400 -0.135 0.000 2.156 264 K HA 0.409 4.729 4.320 -0.000 0.000 0.250 264 K C 1.415 177.978 176.600 -0.061 0.000 0.955 264 K CA -0.387 55.864 56.287 -0.059 0.000 0.855 264 K CB 1.540 34.042 32.500 0.004 0.000 1.101 264 K HN 0.404 nan 8.250 nan 0.000 0.434 265 K N 0.277 120.661 120.400 -0.026 0.000 2.365 265 K HA -0.010 4.310 4.320 -0.000 0.000 0.197 265 K C 0.074 176.687 176.600 0.021 0.000 1.042 265 K CA 0.786 57.067 56.287 -0.011 0.000 0.987 265 K CB 0.365 32.861 32.500 -0.007 0.000 0.779 265 K HN 0.668 nan 8.250 nan 0.000 0.484 266 E N 0.580 120.804 120.200 0.040 0.000 2.407 266 E HA 0.340 4.690 4.350 -0.000 0.000 0.279 266 E C -3.097 173.569 176.600 0.111 0.000 1.012 266 E CA -2.392 54.049 56.400 0.069 0.000 0.800 266 E CB 1.538 31.269 29.700 0.051 0.000 1.276 266 E HN -0.171 nan 8.360 nan 0.000 0.452 267 P HA 0.129 nan 4.420 nan 0.000 0.274 267 P C -0.598 176.841 177.300 0.232 0.000 1.231 267 P CA -0.375 62.857 63.100 0.219 0.000 0.790 267 P CB 0.412 32.258 31.700 0.244 0.000 0.951 268 F N 1.847 121.869 119.950 0.121 0.000 2.563 268 F HA 0.318 4.845 4.527 -0.000 0.000 0.363 268 F C 1.413 177.262 175.800 0.081 0.000 1.123 268 F CA 1.343 59.401 58.000 0.096 0.000 1.307 268 F CB -0.087 38.969 39.000 0.093 0.000 1.115 268 F HN 0.699 nan 8.300 nan 0.000 0.592 269 G N 5.981 114.409 108.800 -0.620 0.000 2.372 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.297 269 G C 0.394 175.258 174.900 -0.060 0.000 1.005 269 G CA 0.681 45.551 45.100 -0.382 0.000 1.173 269 G HN 1.073 nan 8.290 nan 0.000 0.511 270 Y N 0.616 120.849 120.300 -0.112 0.000 2.030 270 Y HA -0.343 4.207 4.550 -0.000 0.000 0.272 270 Y C 2.742 178.608 175.900 -0.056 0.000 1.185 270 Y CA 2.803 60.881 58.100 -0.036 0.000 1.120 270 Y CB -0.101 38.363 38.460 0.005 0.000 0.955 270 Y HN 0.431 nan 8.280 nan 0.000 0.495 271 M N -0.233 119.408 119.600 0.068 0.000 2.213 271 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 271 M C 2.430 178.677 176.300 -0.088 0.000 1.062 271 M CA 1.479 56.748 55.300 -0.052 0.000 1.105 271 M CB -1.909 30.682 32.600 -0.014 0.000 1.385 271 M HN 0.523 nan 8.290 nan 0.000 0.417 272 G N -0.146 108.620 108.800 -0.057 0.000 2.422 272 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 272 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 272 G C 1.549 176.494 174.900 0.075 0.000 1.140 272 G CA 0.472 45.591 45.100 0.031 0.000 0.775 272 G HN 0.246 nan 8.290 nan 0.000 0.545 273 M N 0.420 119.967 119.600 -0.088 0.000 2.156 273 M HA 0.037 4.517 4.480 -0.000 0.000 0.264 273 M C 2.799 178.959 176.300 -0.234 0.000 1.067 273 M CA 0.636 55.841 55.300 -0.160 0.000 1.131 273 M CB -1.055 31.442 32.600 -0.172 0.000 1.368 273 M HN 0.106 nan 8.290 nan 0.000 0.416 274 V N -0.820 118.841 119.914 -0.421 0.000 2.255 274 V HA -0.290 3.830 4.120 -0.000 0.000 0.247 274 V C 2.106 178.009 176.094 -0.319 0.000 1.051 274 V CA 2.167 64.097 62.300 -0.617 0.000 1.018 274 V CB -0.996 30.199 31.823 -1.047 0.000 0.641 274 V HN 0.672 nan 8.190 nan 0.000 0.445 275 W N 1.057 122.173 121.300 -0.306 0.000 2.358 275 W HA -0.151 4.509 4.660 -0.000 0.000 0.303 275 W C 2.393 178.840 176.519 -0.121 0.000 1.208 275 W CA 2.003 59.238 57.345 -0.183 0.000 1.274 275 W CB -0.376 28.998 29.460 -0.143 0.000 1.138 275 W HN 0.187 nan 8.180 nan 0.000 0.515 276 A N 0.660 123.398 122.820 -0.137 0.000 1.877 276 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 276 A C 2.061 179.453 177.584 -0.320 0.000 1.186 276 A CA 2.175 53.974 52.037 -0.397 0.000 0.620 276 A CB -0.935 17.993 19.000 -0.120 0.000 0.822 276 A HN 0.420 nan 8.150 nan 0.000 0.443 277 M N -1.159 118.344 119.600 -0.163 0.000 2.108 277 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 277 M C 2.435 178.704 176.300 -0.053 0.000 1.066 277 M CA 1.708 56.995 55.300 -0.022 0.000 1.107 277 M CB -0.486 32.152 32.600 0.062 0.000 1.356 277 M HN 0.419 nan 8.290 nan 0.000 0.406 278 M N -0.755 118.764 119.600 -0.136 0.000 2.132 278 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 278 M C 2.265 178.501 176.300 -0.107 0.000 1.065 278 M CA 1.424 56.680 55.300 -0.073 0.000 1.122 278 M CB -0.516 32.025 32.600 -0.097 0.000 1.365 278 M HN 0.219 nan 8.290 nan 0.000 0.411 279 S N 0.837 116.327 115.700 -0.351 0.000 2.382 279 S HA -0.058 4.412 4.470 -0.000 0.000 0.228 279 S C 1.810 176.320 174.600 -0.151 0.000 1.027 279 S CA 1.060 59.054 58.200 -0.343 0.000 0.991 279 S CB -0.267 62.424 63.200 -0.848 0.000 0.823 279 S HN 0.361 nan 8.310 nan 0.000 0.469 280 I N 1.292 121.758 120.570 -0.174 0.000 2.286 280 I HA -0.089 4.081 4.170 -0.000 0.000 0.245 280 I C 2.656 178.666 176.117 -0.178 0.000 1.104 280 I CA 0.922 62.126 61.300 -0.159 0.000 1.397 280 I CB -0.794 37.206 38.000 -0.000 0.000 1.072 280 I HN 0.361 nan 8.210 nan 0.000 0.417 281 G N 0.942 109.727 108.800 -0.024 0.000 2.553 281 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.218 281 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.218 281 G C 1.598 176.599 174.900 0.169 0.000 1.195 281 G CA 1.064 46.208 45.100 0.073 0.000 0.779 281 G HN 0.348 nan 8.290 nan 0.000 0.577 282 F N 1.273 121.264 119.950 0.068 0.000 2.051 282 F HA 0.036 4.563 4.527 -0.000 0.000 0.296 282 F C 2.530 178.397 175.800 0.111 0.000 1.122 282 F CA 1.336 59.414 58.000 0.131 0.000 1.201 282 F CB -0.459 38.563 39.000 0.037 0.000 0.978 282 F HN 0.043 nan 8.300 nan 0.000 0.472 283 L N 0.141 121.294 121.223 -0.117 0.000 2.261 283 L HA -0.183 4.157 4.340 -0.000 0.000 0.216 283 L C 2.562 179.265 176.870 -0.280 0.000 1.114 283 L CA 1.171 55.876 54.840 -0.224 0.000 0.777 283 L CB -1.373 40.628 42.059 -0.096 0.000 0.910 283 L HN 0.412 nan 8.230 nan 0.000 0.440 284 G N -1.383 107.229 108.800 -0.314 0.000 2.650 284 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.214 284 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.214 284 G C 1.120 175.875 174.900 -0.242 0.000 1.136 284 G CA -0.030 44.876 45.100 -0.324 0.000 0.789 284 G HN 0.267 nan 8.290 nan 0.000 0.536 285 F N 0.415 120.243 119.950 -0.202 0.000 2.765 285 F HA 0.313 4.840 4.527 -0.000 0.000 0.302 285 F C 1.805 177.595 175.800 -0.018 0.000 1.111 285 F CA -0.143 57.723 58.000 -0.223 0.000 1.359 285 F CB 0.432 39.275 39.000 -0.262 0.000 1.097 285 F HN 0.208 nan 8.300 nan 0.000 0.577 286 I N -2.080 118.578 120.570 0.147 0.000 3.856 286 I HA 0.250 4.420 4.170 -0.000 0.000 0.330 286 I C 0.322 176.589 176.117 0.250 0.000 1.546 286 I CA 0.019 61.498 61.300 0.298 0.000 1.132 286 I CB 0.133 38.187 38.000 0.090 0.000 1.157 286 I HN -0.101 nan 8.210 nan 0.000 0.440 287 V N -3.555 116.488 119.914 0.214 0.000 3.337 287 V HA 0.222 4.342 4.120 -0.000 0.000 0.307 287 V C 1.553 177.454 176.094 -0.321 0.000 1.505 287 V CA -0.290 62.038 62.300 0.046 0.000 1.072 287 V CB -1.016 30.697 31.823 -0.184 0.000 0.929 287 V HN 0.671 nan 8.190 nan 0.000 0.455 288 W N 1.801 123.042 121.300 -0.098 0.000 2.364 288 W HA 0.187 4.847 4.660 -0.000 0.000 0.281 288 W C 1.721 177.961 176.519 -0.465 0.000 1.219 288 W CA 1.419 58.645 57.345 -0.200 0.000 1.220 288 W CB -0.694 28.834 29.460 0.114 0.000 1.127 288 W HN 0.239 nan 8.180 nan 0.000 0.556 289 A N 1.681 123.560 122.820 -1.567 0.000 2.259 289 A HA -0.042 4.278 4.320 -0.000 0.000 0.208 289 A C 1.713 178.492 177.584 -1.342 0.000 1.201 289 A CA 0.772 51.945 52.037 -1.440 0.000 0.824 289 A CB -1.803 16.021 19.000 -1.959 0.000 0.838 289 A HN 0.772 nan 8.150 nan 0.000 0.485 290 H N -2.655 115.678 119.070 -1.229 0.000 2.567 290 H HA 0.005 4.561 4.556 -0.000 0.000 0.276 290 H C 0.691 175.158 175.328 -1.434 0.000 1.016 290 H CA 0.857 55.881 56.048 -1.706 0.000 1.186 290 H CB -0.289 28.911 29.762 -0.937 0.000 1.351 290 H HN 0.658 nan 8.280 nan 0.000 0.605 291 H N 0.539 119.157 119.070 -0.753 0.000 2.539 291 H HA 0.184 4.740 4.556 -0.000 0.000 0.269 291 H C 0.660 175.643 175.328 -0.575 0.000 0.980 291 H CA 0.288 55.860 56.048 -0.793 0.000 1.152 291 H CB 0.497 29.202 29.762 -1.762 0.000 1.407 291 H HN 0.500 nan 8.280 nan 0.000 0.564 292 M N -0.386 118.895 119.600 -0.533 0.000 2.603 292 M HA 0.137 4.617 4.480 -0.000 0.000 0.380 292 M C 0.105 176.255 176.300 -0.251 0.000 1.158 292 M CA -0.186 54.912 55.300 -0.336 0.000 0.921 292 M CB 0.444 32.882 32.600 -0.270 0.000 1.417 292 M HN -0.078 nan 8.290 nan 0.000 0.523 293 F N 0.778 120.547 119.950 -0.302 0.000 2.699 293 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 293 F C 2.409 178.098 175.800 -0.185 0.000 1.154 293 F CA 1.032 58.904 58.000 -0.214 0.000 1.457 293 F CB -0.637 38.254 39.000 -0.182 0.000 1.106 293 F HN 0.262 nan 8.300 nan 0.000 0.585 294 T N -3.958 110.545 114.554 -0.085 0.000 3.054 294 T HA 0.106 4.456 4.350 -0.000 0.000 0.255 294 T C 1.713 176.412 174.700 -0.002 0.000 1.035 294 T CA 0.699 62.777 62.100 -0.036 0.000 0.941 294 T CB -0.670 68.184 68.868 -0.024 0.000 1.026 294 T HN 0.112 nan 8.240 nan 0.000 0.533 295 V N -1.062 118.842 119.914 -0.017 0.000 3.041 295 V HA 0.506 4.626 4.120 -0.000 0.000 0.260 295 V C 1.531 177.646 176.094 0.035 0.000 1.105 295 V CA 0.759 63.065 62.300 0.009 0.000 1.125 295 V CB -1.161 30.648 31.823 -0.022 0.000 0.730 295 V HN 0.844 nan 8.190 nan 0.000 0.479 296 G N 0.105 108.931 108.800 0.043 0.000 2.327 296 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.159 296 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.159 296 G C -0.366 174.576 174.900 0.071 0.000 1.056 296 G CA 0.017 45.150 45.100 0.055 0.000 0.751 296 G HN 0.470 nan 8.290 nan 0.000 0.488 297 M N 0.642 120.292 119.600 0.083 0.000 2.359 297 M HA 0.355 4.835 4.480 -0.000 0.000 0.322 297 M C 0.215 176.575 176.300 0.100 0.000 1.166 297 M CA -0.763 54.603 55.300 0.111 0.000 1.067 297 M CB 0.504 33.189 32.600 0.141 0.000 1.523 297 M HN 0.104 nan 8.290 nan 0.000 0.467 298 D N 0.912 121.374 120.400 0.104 0.000 2.378 298 D HA -0.036 4.604 4.640 -0.000 0.000 0.238 298 D C 0.905 177.256 176.300 0.084 0.000 1.180 298 D CA -0.068 53.981 54.000 0.082 0.000 0.895 298 D CB 1.002 41.850 40.800 0.079 0.000 1.192 298 D HN 0.384 nan 8.370 nan 0.000 0.438 299 V N 1.339 121.286 119.914 0.056 0.000 2.407 299 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 299 V C 1.243 177.369 176.094 0.054 0.000 1.055 299 V CA 1.886 64.209 62.300 0.039 0.000 1.049 299 V CB -0.134 31.697 31.823 0.014 0.000 0.662 299 V HN 0.381 nan 8.190 nan 0.000 0.455 300 D N -0.443 119.995 120.400 0.063 0.000 2.144 300 D HA -0.119 4.521 4.640 -0.000 0.000 0.200 300 D C 2.254 178.630 176.300 0.126 0.000 0.978 300 D CA 1.814 55.857 54.000 0.072 0.000 0.833 300 D CB -0.535 40.297 40.800 0.054 0.000 0.961 300 D HN 0.443 nan 8.370 nan 0.000 0.470 301 T N 0.783 115.431 114.554 0.156 0.000 2.699 301 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 301 T C 1.996 176.933 174.700 0.396 0.000 1.036 301 T CA 1.082 63.343 62.100 0.269 0.000 1.147 301 T CB 0.016 69.043 68.868 0.264 0.000 0.862 301 T HN 0.159 nan 8.240 nan 0.000 0.446 302 R N 0.569 121.226 120.500 0.262 0.000 2.090 302 R HA 0.141 4.481 4.340 -0.000 0.000 0.228 302 R C 2.854 179.211 176.300 0.096 0.000 1.110 302 R CA 1.031 57.264 56.100 0.221 0.000 0.973 302 R CB -0.402 29.907 30.300 0.016 0.000 0.869 302 R HN 0.339 nan 8.270 nan 0.000 0.440 303 A N 0.744 123.595 122.820 0.052 0.000 1.883 303 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 303 A C 2.017 179.610 177.584 0.015 0.000 1.186 303 A CA 1.496 53.536 52.037 0.006 0.000 0.624 303 A CB -0.773 18.236 19.000 0.015 0.000 0.822 303 A HN 0.508 nan 8.150 nan 0.000 0.444 304 Y N -0.876 119.410 120.300 -0.023 0.000 2.200 304 Y HA -0.147 4.403 4.550 -0.000 0.000 0.290 304 Y C 1.854 177.656 175.900 -0.164 0.000 1.137 304 Y CA 1.731 59.751 58.100 -0.132 0.000 1.163 304 Y CB -0.502 37.816 38.460 -0.237 0.000 0.988 304 Y HN 0.225 nan 8.280 nan 0.000 0.518 305 F N 0.230 120.091 119.950 -0.148 0.000 2.293 305 F HA -0.152 4.375 4.527 -0.000 0.000 0.300 305 F C 2.431 178.210 175.800 -0.036 0.000 1.086 305 F CA 1.799 59.680 58.000 -0.199 0.000 1.375 305 F CB -0.844 38.184 39.000 0.046 0.000 1.045 305 F HN 0.009 nan 8.300 nan 0.000 0.516 306 T N -1.129 113.536 114.554 0.185 0.000 2.737 306 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 306 T C 2.267 176.932 174.700 -0.059 0.000 1.038 306 T CA 1.802 63.947 62.100 0.075 0.000 1.144 306 T CB -0.345 68.458 68.868 -0.109 0.000 0.866 306 T HN 0.168 nan 8.240 nan 0.000 0.434 307 S N 1.357 116.962 115.700 -0.159 0.000 2.371 307 S HA 0.061 4.531 4.470 -0.000 0.000 0.224 307 S C 2.584 177.052 174.600 -0.220 0.000 1.029 307 S CA 0.844 58.943 58.200 -0.167 0.000 0.978 307 S CB -0.525 62.579 63.200 -0.160 0.000 0.833 307 S HN 0.557 nan 8.310 nan 0.000 0.466 308 A N 1.397 123.947 122.820 -0.450 0.000 1.933 308 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 308 A C 2.283 179.752 177.584 -0.192 0.000 1.175 308 A CA 2.003 53.799 52.037 -0.402 0.000 0.628 308 A CB -1.238 17.315 19.000 -0.745 0.000 0.814 308 A HN 0.471 nan 8.150 nan 0.000 0.444 309 T N -0.177 114.306 114.554 -0.119 0.000 2.777 309 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 309 T C 1.935 176.622 174.700 -0.022 0.000 1.040 309 T CA 1.616 63.714 62.100 -0.003 0.000 1.141 309 T CB -0.277 68.656 68.868 0.109 0.000 0.868 309 T HN 0.430 nan 8.240 nan 0.000 0.444 310 M N 0.277 119.857 119.600 -0.034 0.000 2.213 310 M HA 0.008 4.488 4.480 -0.000 0.000 0.263 310 M C 2.093 178.392 176.300 -0.002 0.000 1.062 310 M CA 1.420 56.707 55.300 -0.021 0.000 1.105 310 M CB -0.482 32.101 32.600 -0.029 0.000 1.385 310 M HN 0.218 nan 8.290 nan 0.000 0.417 311 I N 0.250 120.813 120.570 -0.012 0.000 2.614 311 I HA -0.266 3.904 4.170 -0.000 0.000 0.258 311 I C 1.955 178.088 176.117 0.027 0.000 1.189 311 I CA 0.871 62.179 61.300 0.014 0.000 1.462 311 I CB -0.191 37.814 38.000 0.008 0.000 1.092 311 I HN 0.277 nan 8.210 nan 0.000 0.442 312 I N 0.746 121.322 120.570 0.011 0.000 2.530 312 I HA -0.268 3.902 4.170 -0.000 0.000 0.257 312 I C 2.684 178.843 176.117 0.069 0.000 1.179 312 I CA 0.954 62.265 61.300 0.018 0.000 1.440 312 I CB -0.578 37.430 38.000 0.013 0.000 1.087 312 I HN 0.191 nan 8.210 nan 0.000 0.440 313 A N 1.261 124.123 122.820 0.071 0.000 2.019 313 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 313 A C 2.268 179.908 177.584 0.094 0.000 1.164 313 A CA 1.299 53.386 52.037 0.083 0.000 0.644 313 A CB -0.546 18.493 19.000 0.064 0.000 0.805 313 A HN 0.387 nan 8.150 nan 0.000 0.449 314 I N 0.318 120.949 120.570 0.103 0.000 2.110 314 I HA -0.124 4.046 4.170 -0.000 0.000 0.236 314 I C -0.331 175.894 176.117 0.180 0.000 1.068 314 I CA 1.307 62.700 61.300 0.156 0.000 1.333 314 I CB -1.170 36.940 38.000 0.184 0.000 1.054 314 I HN 0.205 nan 8.210 nan 0.000 0.402 315 P HA -0.128 nan 4.420 nan 0.000 0.219 315 P C 1.482 178.777 177.300 -0.007 0.000 1.146 315 P CA 1.644 64.756 63.100 0.020 0.000 0.808 315 P CB -0.258 31.209 31.700 -0.390 0.000 0.779 316 T N -0.598 113.966 114.554 0.017 0.000 2.857 316 T HA -0.014 4.336 4.350 -0.000 0.000 0.266 316 T C 2.147 176.792 174.700 -0.092 0.000 1.048 316 T CA 1.586 63.690 62.100 0.007 0.000 1.139 316 T CB -1.023 67.967 68.868 0.205 0.000 0.874 316 T HN 0.177 nan 8.240 nan 0.000 0.455 317 G N 1.396 110.175 108.800 -0.034 0.000 2.418 317 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.217 317 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.217 317 G C 1.692 176.499 174.900 -0.154 0.000 1.158 317 G CA 0.822 45.829 45.100 -0.155 0.000 0.771 317 G HN 0.409 nan 8.290 nan 0.000 0.545 318 V N 1.059 121.008 119.914 0.058 0.000 2.277 318 V HA -0.321 3.799 4.120 -0.000 0.000 0.253 318 V C 2.836 178.842 176.094 -0.148 0.000 1.067 318 V CA 2.549 64.898 62.300 0.081 0.000 1.047 318 V CB -0.486 31.472 31.823 0.225 0.000 0.649 318 V HN 0.422 nan 8.190 nan 0.000 0.447 319 K N -0.576 119.586 120.400 -0.396 0.000 2.026 319 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 319 K C 2.093 178.011 176.600 -1.136 0.000 1.048 319 K CA 1.429 57.172 56.287 -0.907 0.000 0.929 319 K CB -0.450 31.325 32.500 -1.209 0.000 0.713 319 K HN 0.359 nan 8.250 nan 0.000 0.439 320 V N 1.102 120.585 119.914 -0.718 0.000 2.295 320 V HA -0.226 3.894 4.120 -0.000 0.000 0.246 320 V C 2.018 177.993 176.094 -0.199 0.000 1.049 320 V CA 1.788 63.881 62.300 -0.346 0.000 1.024 320 V CB -0.546 31.070 31.823 -0.346 0.000 0.648 320 V HN 0.208 nan 8.190 nan 0.000 0.447 321 F N 0.117 120.046 119.950 -0.035 0.000 2.234 321 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 321 F C 2.621 178.372 175.800 -0.082 0.000 1.087 321 F CA 1.253 59.235 58.000 -0.030 0.000 1.340 321 F CB -0.434 38.541 39.000 -0.042 0.000 1.031 321 F HN 0.054 nan 8.300 nan 0.000 0.500 322 S N -0.952 114.750 115.700 0.003 0.000 2.406 322 S HA -0.135 4.335 4.470 -0.000 0.000 0.228 322 S C 1.692 176.356 174.600 0.105 0.000 1.020 322 S CA 0.641 58.886 58.200 0.074 0.000 0.965 322 S CB -0.291 62.942 63.200 0.055 0.000 0.798 322 S HN 0.398 nan 8.310 nan 0.000 0.488 323 W N 1.841 123.201 121.300 0.100 0.000 2.388 323 W HA 0.115 4.775 4.660 -0.000 0.000 0.294 323 W C 1.858 178.425 176.519 0.079 0.000 1.212 323 W CA 0.218 57.616 57.345 0.089 0.000 1.271 323 W CB -1.196 28.312 29.460 0.081 0.000 1.126 323 W HN 0.315 nan 8.180 nan 0.000 0.535 324 L N 0.210 121.617 121.223 0.308 0.000 2.046 324 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 324 L C 2.612 179.537 176.870 0.091 0.000 1.077 324 L CA 1.522 56.482 54.840 0.200 0.000 0.747 324 L CB -1.374 40.813 42.059 0.213 0.000 0.896 324 L HN -0.153 nan 8.230 nan 0.000 0.432 325 A N -0.607 122.182 122.820 -0.052 0.000 2.067 325 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 325 A C 2.308 179.882 177.584 -0.017 0.000 1.158 325 A CA 1.874 53.745 52.037 -0.276 0.000 0.661 325 A CB -0.664 17.638 19.000 -1.163 0.000 0.801 325 A HN 0.380 nan 8.150 nan 0.000 0.452 326 T N 0.284 114.926 114.554 0.146 0.000 2.857 326 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 326 T C 1.735 176.523 174.700 0.147 0.000 1.048 326 T CA 1.155 63.387 62.100 0.220 0.000 1.139 326 T CB -0.275 68.760 68.868 0.277 0.000 0.874 326 T HN 0.386 nan 8.240 nan 0.000 0.455 327 L N 0.183 121.486 121.223 0.133 0.000 2.093 327 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 327 L C 1.317 178.238 176.870 0.084 0.000 1.085 327 L CA 0.520 55.407 54.840 0.079 0.000 0.755 327 L CB -0.631 41.473 42.059 0.075 0.000 0.904 327 L HN 0.320 nan 8.230 nan 0.000 0.435 328 H N 0.648 119.725 119.070 0.011 0.000 3.184 328 H HA 0.197 4.753 4.556 -0.000 0.000 0.274 328 H C 1.067 176.402 175.328 0.012 0.000 0.962 328 H CA 0.357 56.405 56.048 -0.000 0.000 1.441 328 H CB 0.113 29.854 29.762 -0.034 0.000 1.518 328 H HN 0.310 nan 8.280 nan 0.000 0.539 329 G N 2.899 111.483 108.800 -0.360 0.000 2.176 329 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 329 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 329 G C 0.743 175.564 174.900 -0.131 0.000 0.979 329 G CA 0.194 45.105 45.100 -0.315 0.000 0.641 329 G HN 1.037 nan 8.290 nan 0.000 0.530 330 G N -0.237 108.515 108.800 -0.079 0.000 2.569 330 G HA2 0.398 4.358 3.960 -0.000 0.000 0.249 330 G HA3 0.398 4.358 3.960 -0.000 0.000 0.249 330 G C 0.092 174.957 174.900 -0.059 0.000 1.216 330 G CA 0.337 45.401 45.100 -0.060 0.000 0.845 330 G HN 0.591 nan 8.290 nan 0.000 0.568 331 N N 1.066 119.728 118.700 -0.062 0.000 2.482 331 N HA 0.068 4.808 4.740 -0.000 0.000 0.242 331 N C 0.013 175.485 175.510 -0.064 0.000 1.100 331 N CA -0.587 52.433 53.050 -0.051 0.000 0.946 331 N CB 0.090 38.545 38.487 -0.054 0.000 1.227 331 N HN 0.104 nan 8.380 nan 0.000 0.508 332 I N 2.174 122.704 120.570 -0.066 0.000 2.396 332 I HA 0.098 4.268 4.170 -0.000 0.000 0.289 332 I C 0.692 176.710 176.117 -0.166 0.000 1.056 332 I CA -0.355 60.836 61.300 -0.181 0.000 1.365 332 I CB 0.271 38.084 38.000 -0.312 0.000 1.407 332 I HN 0.454 nan 8.210 nan 0.000 0.509 333 K N 6.523 126.838 120.400 -0.142 0.000 2.281 333 K HA 0.214 4.534 4.320 -0.000 0.000 0.272 333 K C -0.782 175.717 176.600 -0.167 0.000 1.048 333 K CA -0.303 55.977 56.287 -0.013 0.000 0.898 333 K CB 0.368 32.969 32.500 0.168 0.000 1.128 333 K HN 0.372 nan 8.250 nan 0.000 0.460 334 W N 4.768 126.039 121.300 -0.048 0.000 1.435 334 W HA 0.079 4.739 4.660 -0.000 0.000 0.471 334 W C 0.111 176.515 176.519 -0.191 0.000 0.590 334 W CA -0.457 56.812 57.345 -0.126 0.000 2.419 334 W CB -0.524 28.872 29.460 -0.106 0.000 1.251 334 W HN 0.485 nan 8.180 nan 0.000 0.338 335 S N 0.189 115.754 115.700 -0.225 0.000 2.614 335 S HA 0.265 4.735 4.470 -0.000 0.000 0.265 335 S C -1.240 173.172 174.600 -0.315 0.000 1.303 335 S CA -1.201 56.819 58.200 -0.300 0.000 1.000 335 S CB 1.189 63.966 63.200 -0.705 0.000 0.935 335 S HN -0.001 nan 8.310 nan 0.000 0.551 336 P HA -0.134 nan 4.420 nan 0.000 0.216 336 P C 1.534 178.756 177.300 -0.130 0.000 1.153 336 P CA 1.954 64.965 63.100 -0.150 0.000 0.858 336 P CB -0.404 31.332 31.700 0.060 0.000 0.789 337 A N -0.557 122.163 122.820 -0.167 0.000 1.908 337 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 337 A C 2.309 179.728 177.584 -0.274 0.000 1.181 337 A CA 2.521 54.477 52.037 -0.135 0.000 0.627 337 A CB -1.460 17.414 19.000 -0.211 0.000 0.818 337 A HN 0.147 nan 8.150 nan 0.000 0.445 338 M N -0.679 118.573 119.600 -0.581 0.000 2.175 338 M HA -0.022 4.458 4.480 -0.000 0.000 0.264 338 M C 2.048 178.144 176.300 -0.339 0.000 1.063 338 M CA 1.714 56.760 55.300 -0.423 0.000 1.119 338 M CB -0.567 31.729 32.600 -0.506 0.000 1.377 338 M HN 0.425 nan 8.290 nan 0.000 0.415 339 M N -1.893 117.415 119.600 -0.486 0.000 2.117 339 M HA -0.222 4.258 4.480 -0.000 0.000 0.262 339 M C 1.931 177.759 176.300 -0.787 0.000 1.065 339 M CA 1.921 56.754 55.300 -0.779 0.000 1.114 339 M CB -0.631 31.143 32.600 -1.376 0.000 1.361 339 M HN 0.390 nan 8.290 nan 0.000 0.408 340 W N 0.037 121.032 121.300 -0.508 0.000 2.363 340 W HA -0.146 4.514 4.660 -0.000 0.000 0.296 340 W C 2.639 179.276 176.519 0.197 0.000 1.212 340 W CA 1.044 58.359 57.345 -0.050 0.000 1.260 340 W CB -0.317 29.127 29.460 -0.027 0.000 1.131 340 W HN 0.224 nan 8.180 nan 0.000 0.530 341 A N -0.297 122.665 122.820 0.236 0.000 1.968 341 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 341 A C 1.875 179.581 177.584 0.204 0.000 1.169 341 A CA 1.037 53.161 52.037 0.145 0.000 0.638 341 A CB -0.773 18.181 19.000 -0.077 0.000 0.812 341 A HN 0.292 nan 8.150 nan 0.000 0.446 342 L N -0.853 120.459 121.223 0.149 0.000 2.109 342 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 342 L C 2.823 179.931 176.870 0.397 0.000 1.086 342 L CA 0.921 55.878 54.840 0.195 0.000 0.760 342 L CB -0.708 41.402 42.059 0.085 0.000 0.910 342 L HN 0.461 nan 8.230 nan 0.000 0.437 343 G N -0.088 109.042 108.800 0.549 0.000 2.459 343 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 343 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 343 G C 1.491 176.792 174.900 0.668 0.000 1.183 343 G CA 0.760 46.364 45.100 0.839 0.000 0.776 343 G HN 0.278 nan 8.290 nan 0.000 0.552 344 F N 1.549 121.839 119.950 0.567 0.000 2.063 344 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 344 F C 2.506 178.468 175.800 0.270 0.000 1.105 344 F CA 1.853 60.046 58.000 0.321 0.000 1.215 344 F CB -0.315 38.827 39.000 0.237 0.000 0.972 344 F HN 0.137 nan 8.300 nan 0.000 0.483 345 I N -1.024 119.865 120.570 0.532 0.000 2.179 345 I HA -0.308 3.862 4.170 -0.000 0.000 0.242 345 I C 2.324 178.676 176.117 0.393 0.000 1.088 345 I CA 1.662 63.250 61.300 0.479 0.000 1.357 345 I CB -0.644 37.604 38.000 0.415 0.000 1.051 345 I HN 0.233 nan 8.210 nan 0.000 0.409 346 F N 1.202 121.302 119.950 0.250 0.000 2.163 346 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 346 F C 2.082 177.971 175.800 0.147 0.000 1.094 346 F CA 1.585 59.708 58.000 0.204 0.000 1.290 346 F CB -0.197 38.940 39.000 0.229 0.000 1.017 346 F HN -0.132 nan 8.300 nan 0.000 0.483 347 L N -1.347 119.832 121.223 -0.072 0.000 2.270 347 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 347 L C 2.283 179.020 176.870 -0.221 0.000 1.104 347 L CA 0.584 55.279 54.840 -0.241 0.000 0.804 347 L CB -0.718 41.202 42.059 -0.232 0.000 0.937 347 L HN 0.185 nan 8.230 nan 0.000 0.450 348 F N 0.921 120.633 119.950 -0.397 0.000 2.134 348 F HA -0.247 4.280 4.527 -0.000 0.000 0.299 348 F C 2.404 178.096 175.800 -0.179 0.000 1.097 348 F CA 1.958 59.718 58.000 -0.399 0.000 1.264 348 F CB -0.245 38.287 39.000 -0.779 0.000 1.001 348 F HN -0.090 nan 8.300 nan 0.000 0.479 349 T N 0.224 114.693 114.554 -0.143 0.000 2.708 349 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 349 T C 2.145 176.666 174.700 -0.297 0.000 1.037 349 T CA 1.648 63.650 62.100 -0.163 0.000 1.146 349 T CB -0.620 68.248 68.868 0.001 0.000 0.865 349 T HN 0.128 nan 8.240 nan 0.000 0.435 350 V N 1.321 121.003 119.914 -0.386 0.000 2.255 350 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 350 V C 2.841 178.723 176.094 -0.354 0.000 1.051 350 V CA 2.165 64.224 62.300 -0.402 0.000 1.018 350 V CB -1.285 30.224 31.823 -0.524 0.000 0.641 350 V HN 0.609 nan 8.190 nan 0.000 0.445 351 G N -0.569 108.039 108.800 -0.320 0.000 2.421 351 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.217 351 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.217 351 G C 1.567 176.357 174.900 -0.182 0.000 1.143 351 G CA 0.791 45.761 45.100 -0.217 0.000 0.784 351 G HN 0.602 nan 8.290 nan 0.000 0.541 352 G N 0.806 109.331 108.800 -0.457 0.000 2.422 352 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.218 352 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.218 352 G C 1.738 176.537 174.900 -0.169 0.000 1.140 352 G CA 0.464 45.346 45.100 -0.362 0.000 0.775 352 G HN 0.421 nan 8.290 nan 0.000 0.545 353 L N 1.133 122.249 121.223 -0.178 0.000 2.109 353 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 353 L C 3.291 180.106 176.870 -0.092 0.000 1.086 353 L CA 1.615 56.386 54.840 -0.115 0.000 0.760 353 L CB -0.620 41.377 42.059 -0.105 0.000 0.910 353 L HN 0.381 nan 8.230 nan 0.000 0.437 354 T N -3.463 111.030 114.554 -0.102 0.000 2.951 354 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 354 T C 1.972 176.582 174.700 -0.152 0.000 1.073 354 T CA 0.787 62.866 62.100 -0.035 0.000 1.134 354 T CB -0.735 68.054 68.868 -0.132 0.000 0.884 354 T HN 0.364 nan 8.240 nan 0.000 0.479 355 G N 2.237 110.821 108.800 -0.359 0.000 2.476 355 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 355 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 355 G C 1.475 176.195 174.900 -0.300 0.000 1.164 355 G CA 0.898 45.618 45.100 -0.634 0.000 0.768 355 G HN 0.462 nan 8.290 nan 0.000 0.560 356 I N 0.756 121.232 120.570 -0.157 0.000 2.315 356 I HA -0.096 4.074 4.170 -0.000 0.000 0.248 356 I C 2.988 179.053 176.117 -0.087 0.000 1.117 356 I CA 0.598 61.839 61.300 -0.098 0.000 1.404 356 I CB -1.061 36.906 38.000 -0.055 0.000 1.071 356 I HN 0.036 nan 8.210 nan 0.000 0.419 357 V N 1.224 121.101 119.914 -0.063 0.000 2.255 357 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 357 V C 2.588 178.628 176.094 -0.090 0.000 1.051 357 V CA 1.679 63.946 62.300 -0.055 0.000 1.018 357 V CB -0.607 31.227 31.823 0.018 0.000 0.641 357 V HN 0.338 nan 8.190 nan 0.000 0.445 358 L N 0.049 121.219 121.223 -0.089 0.000 2.349 358 L HA -0.152 4.188 4.340 -0.000 0.000 0.220 358 L C 2.497 179.335 176.870 -0.054 0.000 1.130 358 L CA 1.140 55.923 54.840 -0.096 0.000 0.791 358 L CB -0.661 41.299 42.059 -0.164 0.000 0.918 358 L HN 0.389 nan 8.230 nan 0.000 0.444 359 A N -0.805 121.965 122.820 -0.084 0.000 2.119 359 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 359 A C 0.921 178.521 177.584 0.027 0.000 1.153 359 A CA 0.534 52.575 52.037 0.006 0.000 0.692 359 A CB -0.388 18.580 19.000 -0.055 0.000 0.799 359 A HN 0.372 nan 8.150 nan 0.000 0.458 360 N N 1.274 119.924 118.700 -0.084 0.000 2.415 360 N HA 0.085 4.825 4.740 -0.000 0.000 0.250 360 N C 1.114 176.424 175.510 -0.333 0.000 1.127 360 N CA 0.681 53.619 53.050 -0.186 0.000 0.945 360 N CB 1.129 39.530 38.487 -0.144 0.000 1.196 360 N HN 0.492 nan 8.380 nan 0.000 0.499 361 S N 0.876 116.134 115.700 -0.737 0.000 2.419 361 S HA -0.166 4.304 4.470 -0.000 0.000 0.235 361 S C 1.921 176.231 174.600 -0.484 0.000 1.019 361 S CA 0.904 58.431 58.200 -1.123 0.000 0.982 361 S CB 0.003 62.195 63.200 -1.680 0.000 0.789 361 S HN 0.389 nan 8.310 nan 0.000 0.490 362 S N 1.332 116.837 115.700 -0.325 0.000 2.345 362 S HA 0.172 4.642 4.470 -0.000 0.000 0.220 362 S C 1.721 176.231 174.600 -0.150 0.000 1.031 362 S CA 1.053 59.136 58.200 -0.194 0.000 0.996 362 S CB -0.467 62.641 63.200 -0.154 0.000 0.882 362 S HN 0.476 nan 8.310 nan 0.000 0.445 363 L N 0.938 122.069 121.223 -0.153 0.000 2.240 363 L HA -0.074 4.266 4.340 -0.000 0.000 0.211 363 L C 2.005 178.806 176.870 -0.115 0.000 1.106 363 L CA 1.204 55.965 54.840 -0.132 0.000 0.793 363 L CB -0.384 41.584 42.059 -0.152 0.000 0.927 363 L HN 0.310 nan 8.230 nan 0.000 0.446 364 D N -0.011 120.328 120.400 -0.101 0.000 2.263 364 D HA -0.207 4.433 4.640 -0.000 0.000 0.208 364 D C 2.095 178.422 176.300 0.046 0.000 0.971 364 D CA 0.704 54.704 54.000 -0.001 0.000 0.867 364 D CB 0.225 41.101 40.800 0.127 0.000 0.929 364 D HN 0.104 nan 8.370 nan 0.000 0.492 365 I N 0.210 120.776 120.570 -0.006 0.000 2.151 365 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 365 I C 2.263 178.408 176.117 0.047 0.000 1.080 365 I CA 0.883 62.197 61.300 0.024 0.000 1.339 365 I CB -1.085 36.907 38.000 -0.014 0.000 1.039 365 I HN 0.077 nan 8.210 nan 0.000 0.409 366 V N 0.271 120.187 119.914 0.004 0.000 2.725 366 V HA -0.064 4.056 4.120 -0.000 0.000 0.247 366 V C 2.332 178.424 176.094 -0.004 0.000 1.058 366 V CA 0.736 63.037 62.300 0.001 0.000 1.080 366 V CB -0.202 31.603 31.823 -0.031 0.000 0.713 366 V HN 0.289 nan 8.190 nan 0.000 0.465 367 L N -0.821 120.383 121.223 -0.032 0.000 2.341 367 L HA 0.095 4.435 4.340 -0.000 0.000 0.214 367 L C 1.359 178.262 176.870 0.055 0.000 1.115 367 L CA 0.201 55.021 54.840 -0.034 0.000 0.820 367 L CB -0.553 41.409 42.059 -0.162 0.000 0.944 367 L HN 0.395 nan 8.230 nan 0.000 0.452 368 H N 1.064 120.141 119.070 0.011 0.000 2.897 368 H HA -0.079 4.477 4.556 -0.000 0.000 0.347 368 H C 0.422 175.771 175.328 0.037 0.000 1.068 368 H CA 0.421 56.491 56.048 0.035 0.000 1.426 368 H CB 0.221 30.014 29.762 0.052 0.000 1.410 368 H HN 0.107 nan 8.280 nan 0.000 0.597 369 D N 2.144 122.122 120.400 -0.704 0.000 2.870 369 D HA -0.195 4.445 4.640 -0.000 0.000 0.228 369 D C -0.490 175.679 176.300 -0.218 0.000 1.147 369 D CA 1.448 55.157 54.000 -0.484 0.000 0.757 369 D CB -0.924 39.618 40.800 -0.430 0.000 1.091 369 D HN 0.779 nan 8.370 nan 0.000 0.429 370 T N -4.383 110.085 114.554 -0.142 0.000 2.864 370 T HA 0.426 4.776 4.350 -0.000 0.000 0.289 370 T C 0.925 175.583 174.700 -0.070 0.000 1.082 370 T CA -0.759 61.303 62.100 -0.063 0.000 1.009 370 T CB 0.904 69.783 68.868 0.018 0.000 1.234 370 T HN -0.066 nan 8.240 nan 0.000 0.526 371 Y N -0.504 119.743 120.300 -0.088 0.000 2.639 371 Y HA 0.034 4.584 4.550 -0.000 0.000 0.297 371 Y C 1.942 177.774 175.900 -0.113 0.000 1.151 371 Y CA 0.744 58.779 58.100 -0.108 0.000 1.335 371 Y CB -0.409 37.968 38.460 -0.138 0.000 0.994 371 Y HN 0.809 nan 8.280 nan 0.000 0.548 372 Y N -0.850 119.408 120.300 -0.071 0.000 2.200 372 Y HA -0.252 4.298 4.550 -0.000 0.000 0.290 372 Y C 2.195 178.014 175.900 -0.135 0.000 1.137 372 Y CA 1.480 59.520 58.100 -0.101 0.000 1.163 372 Y CB -0.342 38.090 38.460 -0.046 0.000 0.988 372 Y HN -0.101 nan 8.280 nan 0.000 0.518 373 V N -0.997 118.961 119.914 0.073 0.000 2.287 373 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 373 V C 2.276 178.186 176.094 -0.307 0.000 1.053 373 V CA 1.867 64.199 62.300 0.054 0.000 1.027 373 V CB -1.049 30.856 31.823 0.136 0.000 0.646 373 V HN 0.315 nan 8.190 nan 0.000 0.447 374 V N 0.358 119.937 119.914 -0.558 0.000 2.392 374 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 374 V C 2.645 178.243 176.094 -0.827 0.000 1.059 374 V CA 2.062 63.722 62.300 -1.066 0.000 1.051 374 V CB -1.217 30.133 31.823 -0.789 0.000 0.658 374 V HN 0.564 nan 8.190 nan 0.000 0.455 375 A N -0.164 122.327 122.820 -0.549 0.000 1.854 375 A HA -0.225 4.095 4.320 -0.000 0.000 0.214 375 A C 2.115 179.423 177.584 -0.461 0.000 1.192 375 A CA 1.871 53.578 52.037 -0.550 0.000 0.611 375 A CB -0.872 17.434 19.000 -1.157 0.000 0.832 375 A HN 0.730 nan 8.150 nan 0.000 0.442 376 H N 0.588 119.332 119.070 -0.543 0.000 2.255 376 H HA -0.291 4.265 4.556 -0.000 0.000 0.290 376 H C 1.657 176.850 175.328 -0.225 0.000 1.087 376 H CA 2.833 58.683 56.048 -0.330 0.000 1.213 376 H CB -0.916 28.725 29.762 -0.201 0.000 1.349 376 H HN 0.612 nan 8.280 nan 0.000 0.487 377 F N -1.657 117.940 119.950 -0.588 0.000 2.456 377 F HA 0.092 4.619 4.527 -0.000 0.000 0.298 377 F C 1.967 177.340 175.800 -0.711 0.000 1.104 377 F CA 0.740 58.271 58.000 -0.782 0.000 1.435 377 F CB -0.580 38.090 39.000 -0.549 0.000 1.078 377 F HN 0.176 nan 8.300 nan 0.000 0.546 378 H N -1.236 117.427 119.070 -0.677 0.000 2.436 378 H HA -0.012 4.544 4.556 -0.000 0.000 0.294 378 H C 1.521 176.420 175.328 -0.714 0.000 1.048 378 H CA 1.842 57.365 56.048 -0.875 0.000 1.353 378 H CB -0.440 28.055 29.762 -2.111 0.000 1.414 378 H HN 0.241 nan 8.280 nan 0.000 0.536 379 Y N 0.301 120.287 120.300 -0.524 0.000 2.128 379 Y HA -0.248 4.302 4.550 -0.000 0.000 0.284 379 Y C 2.571 178.247 175.900 -0.374 0.000 1.154 379 Y CA 1.635 59.501 58.100 -0.391 0.000 1.149 379 Y CB -0.472 37.797 38.460 -0.318 0.000 0.976 379 Y HN 0.161 nan 8.280 nan 0.000 0.505 380 V N -2.855 116.906 119.914 -0.254 0.000 2.871 380 V HA -0.105 4.015 4.120 -0.000 0.000 0.256 380 V C 1.736 177.746 176.094 -0.138 0.000 1.082 380 V CA 1.223 63.415 62.300 -0.180 0.000 1.105 380 V CB -0.693 31.004 31.823 -0.210 0.000 0.713 380 V HN 0.344 nan 8.190 nan 0.000 0.473 381 L N -0.133 120.952 121.223 -0.231 0.000 2.265 381 L HA 0.120 4.460 4.340 -0.000 0.000 0.195 381 L C 2.730 179.533 176.870 -0.112 0.000 1.083 381 L CA 1.212 55.938 54.840 -0.190 0.000 0.798 381 L CB -0.522 41.365 42.059 -0.286 0.000 0.989 381 L HN 0.170 nan 8.230 nan 0.000 0.472 382 S N -0.446 115.163 115.700 -0.152 0.000 2.423 382 S HA 0.015 4.485 4.470 -0.000 0.000 0.231 382 S C 1.515 176.105 174.600 -0.017 0.000 1.014 382 S CA 1.176 59.369 58.200 -0.012 0.000 0.965 382 S CB 0.007 63.221 63.200 0.024 0.000 0.785 382 S HN 0.298 nan 8.310 nan 0.000 0.495 383 M N -0.263 119.163 119.600 -0.291 0.000 2.502 383 M HA 0.289 4.769 4.480 -0.000 0.000 0.351 383 M C 1.172 177.132 176.300 -0.565 0.000 1.118 383 M CA -0.142 54.710 55.300 -0.746 0.000 0.952 383 M CB 1.209 33.282 32.600 -0.879 0.000 1.424 383 M HN 0.307 nan 8.290 nan 0.000 0.529 384 G N -0.036 108.674 108.800 -0.149 0.000 2.465 384 G HA2 0.343 4.303 3.960 -0.000 0.000 0.178 384 G HA3 0.343 4.303 3.960 -0.000 0.000 0.178 384 G C 1.171 176.285 174.900 0.356 0.000 1.591 384 G CA 0.579 45.640 45.100 -0.064 0.000 0.689 384 G HN 0.242 nan 8.290 nan 0.000 0.708 385 A N 0.242 123.183 122.820 0.203 0.000 1.908 385 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 385 A C 2.532 180.230 177.584 0.190 0.000 1.181 385 A CA 2.301 54.436 52.037 0.163 0.000 0.627 385 A CB -0.851 18.155 19.000 0.010 0.000 0.818 385 A HN 0.431 nan 8.150 nan 0.000 0.445 386 V N -1.250 118.784 119.914 0.200 0.000 2.343 386 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 386 V C 2.308 178.586 176.094 0.307 0.000 1.051 386 V CA 1.968 64.403 62.300 0.224 0.000 1.036 386 V CB -0.885 31.080 31.823 0.237 0.000 0.654 386 V HN 0.640 nan 8.190 nan 0.000 0.451 387 F N 0.201 120.270 119.950 0.200 0.000 2.171 387 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 387 F C 2.446 178.352 175.800 0.176 0.000 1.090 387 F CA 0.867 59.056 58.000 0.315 0.000 1.293 387 F CB -0.308 39.072 39.000 0.633 0.000 1.013 387 F HN 0.165 nan 8.300 nan 0.000 0.486 388 A N 0.510 123.549 122.820 0.366 0.000 1.898 388 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 388 A C 2.089 179.647 177.584 -0.043 0.000 1.181 388 A CA 1.264 53.325 52.037 0.041 0.000 0.620 388 A CB -0.934 18.009 19.000 -0.095 0.000 0.819 388 A HN 0.363 nan 8.150 nan 0.000 0.442 389 I N -0.636 119.946 120.570 0.020 0.000 2.127 389 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 389 I C 2.593 178.715 176.117 0.008 0.000 1.075 389 I CA 1.391 62.726 61.300 0.059 0.000 1.334 389 I CB -0.278 37.806 38.000 0.139 0.000 1.040 389 I HN 0.257 nan 8.210 nan 0.000 0.405 390 M N 0.207 119.654 119.600 -0.255 0.000 2.159 390 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 390 M C 2.366 178.345 176.300 -0.535 0.000 1.063 390 M CA 1.866 56.796 55.300 -0.616 0.000 1.110 390 M CB -2.044 29.515 32.600 -1.736 0.000 1.374 390 M HN 0.324 nan 8.290 nan 0.000 0.411 391 G N -0.460 108.115 108.800 -0.376 0.000 2.402 391 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.216 391 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.216 391 G C 1.617 176.484 174.900 -0.055 0.000 1.162 391 G CA 0.916 45.969 45.100 -0.078 0.000 0.777 391 G HN 0.545 nan 8.290 nan 0.000 0.539 392 G N 0.432 109.176 108.800 -0.094 0.000 2.418 392 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.217 392 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.217 392 G C 1.602 176.715 174.900 0.355 0.000 1.158 392 G CA 0.918 45.976 45.100 -0.070 0.000 0.771 392 G HN 0.331 nan 8.290 nan 0.000 0.545 393 F N 1.919 122.085 119.950 0.360 0.000 2.046 393 F HA -0.193 4.334 4.527 -0.000 0.000 0.297 393 F C 2.854 178.810 175.800 0.261 0.000 1.123 393 F CA 2.321 60.616 58.000 0.492 0.000 1.199 393 F CB -0.505 38.686 39.000 0.317 0.000 0.972 393 F HN 0.076 nan 8.300 nan 0.000 0.474 394 V N -1.639 118.379 119.914 0.173 0.000 2.427 394 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 394 V C 2.386 178.490 176.094 0.017 0.000 1.051 394 V CA 2.333 64.665 62.300 0.053 0.000 1.048 394 V CB -1.515 30.419 31.823 0.186 0.000 0.666 394 V HN 0.519 nan 8.190 nan 0.000 0.456 395 H N -0.691 118.310 119.070 -0.116 0.000 2.293 395 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 395 H C 1.817 176.977 175.328 -0.281 0.000 1.082 395 H CA 2.543 58.431 56.048 -0.268 0.000 1.308 395 H CB -0.173 29.239 29.762 -0.583 0.000 1.375 395 H HN 0.555 nan 8.280 nan 0.000 0.495 396 W N -0.577 120.516 121.300 -0.344 0.000 3.177 396 W HA 0.056 4.716 4.660 -0.000 0.000 0.309 396 W C 1.538 177.350 176.519 -1.178 0.000 1.224 396 W CA -0.352 56.455 57.345 -0.896 0.000 1.718 396 W CB -0.789 28.005 29.460 -1.111 0.000 1.078 396 W HN 0.197 nan 8.180 nan 0.000 0.618 397 F N 2.958 122.466 119.950 -0.737 0.000 2.085 397 F HA -0.253 4.274 4.527 -0.000 0.000 0.299 397 F C -0.759 174.750 175.800 -0.483 0.000 1.096 397 F CA 2.287 59.848 58.000 -0.732 0.000 1.227 397 F CB -1.423 37.092 39.000 -0.808 0.000 0.983 397 F HN -0.237 nan 8.300 nan 0.000 0.482 398 P HA -0.147 nan 4.420 nan 0.000 0.219 398 P C 1.757 178.885 177.300 -0.286 0.000 1.150 398 P CA 1.177 64.147 63.100 -0.218 0.000 0.814 398 P CB -0.110 31.625 31.700 0.059 0.000 0.787 399 L N -1.496 119.439 121.223 -0.480 0.000 2.044 399 L HA -0.061 4.279 4.340 -0.000 0.000 0.205 399 L C 1.970 178.531 176.870 -0.516 0.000 1.075 399 L CA 2.029 56.495 54.840 -0.624 0.000 0.747 399 L CB -1.374 39.937 42.059 -1.247 0.000 0.903 399 L HN -0.178 nan 8.230 nan 0.000 0.435 400 F N -0.227 119.204 119.950 -0.864 0.000 2.206 400 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 400 F C 2.777 178.235 175.800 -0.569 0.000 1.090 400 F CA 1.000 58.329 58.000 -1.118 0.000 1.323 400 F CB -1.607 36.667 39.000 -1.209 0.000 1.028 400 F HN 0.404 nan 8.300 nan 0.000 0.492 401 S N -1.688 113.701 115.700 -0.518 0.000 2.499 401 S HA 0.438 4.908 4.470 -0.000 0.000 0.225 401 S C 1.835 176.119 174.600 -0.526 0.000 1.050 401 S CA 0.536 58.454 58.200 -0.469 0.000 0.928 401 S CB 0.415 63.063 63.200 -0.921 0.000 0.803 401 S HN 0.503 nan 8.310 nan 0.000 0.506 402 G N -0.024 108.482 108.800 -0.489 0.000 2.176 402 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.232 402 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.232 402 G C -0.255 174.388 174.900 -0.428 0.000 0.986 402 G CA 0.219 45.069 45.100 -0.417 0.000 0.643 402 G HN 0.518 nan 8.290 nan 0.000 0.522 403 Y N 0.955 121.130 120.300 -0.208 0.000 2.549 403 Y HA 0.712 5.262 4.550 -0.000 0.000 0.339 403 Y C 0.884 176.768 175.900 -0.026 0.000 1.053 403 Y CA -0.655 57.376 58.100 -0.115 0.000 1.105 403 Y CB 1.531 39.916 38.460 -0.123 0.000 1.258 403 Y HN 0.302 nan 8.280 nan 0.000 0.478 404 T N -0.289 114.399 114.554 0.225 0.000 2.929 404 T HA 0.760 5.110 4.350 -0.000 0.000 0.284 404 T C -0.377 174.401 174.700 0.129 0.000 1.014 404 T CA -0.842 61.359 62.100 0.167 0.000 1.051 404 T CB 0.790 69.712 68.868 0.091 0.000 1.028 404 T HN 0.487 nan 8.240 nan 0.000 0.485 405 L N 1.870 123.132 121.223 0.064 0.000 2.454 405 L HA 0.442 4.782 4.340 -0.000 0.000 0.256 405 L C 0.981 177.860 176.870 0.015 0.000 1.136 405 L CA -1.179 53.620 54.840 -0.069 0.000 0.804 405 L CB 0.566 42.548 42.059 -0.128 0.000 1.181 405 L HN 0.713 nan 8.230 nan 0.000 0.469 406 N N 0.606 119.335 118.700 0.049 0.000 2.408 406 N HA 0.002 4.742 4.740 -0.000 0.000 0.257 406 N C 0.038 175.637 175.510 0.149 0.000 1.064 406 N CA -0.137 52.992 53.050 0.132 0.000 0.952 406 N CB 1.301 39.958 38.487 0.283 0.000 1.093 406 N HN 0.517 nan 8.380 nan 0.000 0.490 407 D N 2.388 122.846 120.400 0.097 0.000 2.144 407 D HA -0.114 4.526 4.640 -0.000 0.000 0.199 407 D C 1.216 177.573 176.300 0.096 0.000 0.984 407 D CA 1.537 55.589 54.000 0.086 0.000 0.834 407 D CB 0.049 40.879 40.800 0.050 0.000 0.955 407 D HN 0.581 nan 8.370 nan 0.000 0.465 408 T N -0.551 114.039 114.554 0.059 0.000 2.708 408 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 408 T C 1.767 176.519 174.700 0.087 0.000 1.037 408 T CA 1.080 63.182 62.100 0.003 0.000 1.146 408 T CB -0.565 68.228 68.868 -0.125 0.000 0.865 408 T HN 0.345 nan 8.240 nan 0.000 0.435 409 W N 1.183 122.547 121.300 0.107 0.000 2.342 409 W HA -0.029 4.631 4.660 -0.000 0.000 0.297 409 W C 2.805 179.438 176.519 0.190 0.000 1.213 409 W CA 0.474 57.916 57.345 0.162 0.000 1.251 409 W CB -0.234 29.335 29.460 0.183 0.000 1.136 409 W HN 0.233 nan 8.180 nan 0.000 0.526 410 A N 0.309 123.374 122.820 0.407 0.000 1.930 410 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 410 A C 1.837 179.631 177.584 0.350 0.000 1.175 410 A CA 1.528 53.792 52.037 0.378 0.000 0.627 410 A CB -0.520 18.645 19.000 0.275 0.000 0.815 410 A HN 0.265 nan 8.150 nan 0.000 0.443 411 K N -0.322 120.207 120.400 0.214 0.000 2.057 411 K HA -0.056 4.264 4.320 -0.000 0.000 0.207 411 K C 1.761 178.464 176.600 0.172 0.000 1.049 411 K CA 1.515 57.880 56.287 0.131 0.000 0.931 411 K CB -0.395 32.135 32.500 0.049 0.000 0.714 411 K HN 0.507 nan 8.250 nan 0.000 0.440 412 I N 0.735 121.424 120.570 0.199 0.000 2.163 412 I HA -0.341 3.829 4.170 -0.000 0.000 0.243 412 I C 2.742 179.001 176.117 0.236 0.000 1.085 412 I CA 1.407 62.826 61.300 0.197 0.000 1.347 412 I CB -0.497 37.658 38.000 0.259 0.000 1.044 412 I HN 0.348 nan 8.210 nan 0.000 0.408 413 H N 0.874 120.106 119.070 0.270 0.000 2.319 413 H HA -0.293 4.263 4.556 -0.000 0.000 0.297 413 H C 2.299 177.738 175.328 0.185 0.000 1.097 413 H CA 2.426 58.635 56.048 0.268 0.000 1.285 413 H CB -0.289 29.683 29.762 0.351 0.000 1.368 413 H HN 0.347 nan 8.280 nan 0.000 0.495 414 F N 1.498 121.323 119.950 -0.208 0.000 2.065 414 F HA -0.213 4.314 4.527 -0.000 0.000 0.298 414 F C 2.686 178.232 175.800 -0.422 0.000 1.112 414 F CA 2.088 59.639 58.000 -0.748 0.000 1.212 414 F CB -0.842 37.554 39.000 -1.008 0.000 0.975 414 F HN 0.232 nan 8.300 nan 0.000 0.476 415 A N 0.723 123.369 122.820 -0.290 0.000 1.902 415 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 415 A C 2.310 179.772 177.584 -0.205 0.000 1.181 415 A CA 1.988 53.850 52.037 -0.292 0.000 0.623 415 A CB -1.267 17.691 19.000 -0.071 0.000 0.818 415 A HN 0.532 nan 8.150 nan 0.000 0.443 416 I N -1.438 119.065 120.570 -0.113 0.000 2.179 416 I HA -0.275 3.895 4.170 -0.000 0.000 0.242 416 I C 2.644 178.717 176.117 -0.074 0.000 1.088 416 I CA 1.892 63.167 61.300 -0.041 0.000 1.357 416 I CB -0.232 37.788 38.000 0.034 0.000 1.051 416 I HN 0.410 nan 8.210 nan 0.000 0.409 417 M N 0.467 119.967 119.600 -0.166 0.000 2.117 417 M HA -0.245 4.235 4.480 -0.000 0.000 0.262 417 M C 2.093 178.359 176.300 -0.057 0.000 1.065 417 M CA 1.858 57.102 55.300 -0.094 0.000 1.114 417 M CB -0.656 31.888 32.600 -0.094 0.000 1.361 417 M HN 0.201 nan 8.290 nan 0.000 0.408 418 F N -0.429 119.276 119.950 -0.409 0.000 2.095 418 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 418 F C 1.836 177.576 175.800 -0.101 0.000 1.104 418 F CA 1.897 59.731 58.000 -0.276 0.000 1.232 418 F CB -0.406 38.172 39.000 -0.704 0.000 0.987 418 F HN -0.016 nan 8.300 nan 0.000 0.475 419 V N 0.191 120.136 119.914 0.052 0.000 2.358 419 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 419 V C 2.706 178.777 176.094 -0.038 0.000 1.047 419 V CA 1.876 64.191 62.300 0.026 0.000 1.035 419 V CB -1.543 30.313 31.823 0.055 0.000 0.658 419 V HN 0.550 nan 8.190 nan 0.000 0.452 420 G N 0.554 109.339 108.800 -0.025 0.000 2.421 420 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 420 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 420 G C 1.719 176.580 174.900 -0.065 0.000 1.171 420 G CA 1.493 46.579 45.100 -0.022 0.000 0.775 420 G HN 0.546 nan 8.290 nan 0.000 0.543 421 V N -0.738 119.150 119.914 -0.043 0.000 2.453 421 V HA -0.103 4.017 4.120 -0.000 0.000 0.247 421 V C 2.261 178.283 176.094 -0.119 0.000 1.048 421 V CA 1.858 64.145 62.300 -0.022 0.000 1.049 421 V CB -0.650 31.230 31.823 0.096 0.000 0.672 421 V HN 0.228 nan 8.190 nan 0.000 0.457 422 N N 0.308 118.888 118.700 -0.200 0.000 2.142 422 N HA -0.111 4.628 4.740 -0.000 0.000 0.186 422 N C 1.879 177.375 175.510 -0.022 0.000 1.023 422 N CA 2.122 55.084 53.050 -0.147 0.000 0.852 422 N CB -0.271 38.071 38.487 -0.242 0.000 0.998 422 N HN 0.566 nan 8.380 nan 0.000 0.424 423 M N 1.010 120.579 119.600 -0.052 0.000 2.213 423 M HA -0.126 4.354 4.480 -0.000 0.000 0.263 423 M C 1.585 177.828 176.300 -0.096 0.000 1.062 423 M CA 1.247 56.539 55.300 -0.013 0.000 1.105 423 M CB -0.115 32.480 32.600 -0.009 0.000 1.385 423 M HN 0.015 nan 8.290 nan 0.000 0.417 424 T N 0.169 114.565 114.554 -0.263 0.000 2.708 424 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 424 T C 1.220 175.529 174.700 -0.652 0.000 1.037 424 T CA 1.742 63.492 62.100 -0.582 0.000 1.146 424 T CB -0.352 67.865 68.868 -1.085 0.000 0.865 424 T HN 0.432 nan 8.240 nan 0.000 0.435 425 F N -0.826 119.067 119.950 -0.094 0.000 2.559 425 F HA 0.305 4.832 4.527 -0.000 0.000 0.286 425 F C 1.853 177.633 175.800 -0.034 0.000 1.108 425 F CA -0.525 57.410 58.000 -0.107 0.000 1.436 425 F CB -0.276 38.612 39.000 -0.187 0.000 1.130 425 F HN -0.014 nan 8.300 nan 0.000 0.584 426 F N 2.897 122.956 119.950 0.181 0.000 2.043 426 F HA -0.184 4.343 4.527 -0.000 0.000 0.297 426 F C -0.835 174.787 175.800 -0.296 0.000 1.118 426 F CA 1.761 59.823 58.000 0.104 0.000 1.202 426 F CB -1.799 37.229 39.000 0.047 0.000 0.965 426 F HN -0.146 nan 8.300 nan 0.000 0.482 427 P HA -0.155 nan 4.420 nan 0.000 0.225 427 P C 1.064 177.993 177.300 -0.619 0.000 1.148 427 P CA 1.460 64.135 63.100 -0.707 0.000 0.779 427 P CB -0.258 31.374 31.700 -0.115 0.000 0.780 428 Q N -1.680 117.861 119.800 -0.432 0.000 2.364 428 Q HA -0.164 4.176 4.340 -0.000 0.000 0.207 428 Q C 1.628 177.403 176.000 -0.374 0.000 0.970 428 Q CA 0.971 56.605 55.803 -0.281 0.000 0.888 428 Q CB -0.619 28.078 28.738 -0.069 0.000 0.951 428 Q HN 0.531 nan 8.270 nan 0.000 0.469 429 H N -0.658 118.034 119.070 -0.631 0.000 2.353 429 H HA -0.135 4.421 4.556 -0.000 0.000 0.300 429 H C 1.427 176.620 175.328 -0.225 0.000 1.090 429 H CA 1.564 57.268 56.048 -0.574 0.000 1.327 429 H CB -0.013 29.204 29.762 -0.909 0.000 1.383 429 H HN 0.191 nan 8.280 nan 0.000 0.508 430 F N 0.442 120.266 119.950 -0.209 0.000 2.102 430 F HA -0.119 4.408 4.527 -0.000 0.000 0.298 430 F C 2.268 178.088 175.800 0.033 0.000 1.105 430 F CA 0.808 58.705 58.000 -0.172 0.000 1.239 430 F CB -1.133 37.506 39.000 -0.602 0.000 0.991 430 F HN 0.063 nan 8.300 nan 0.000 0.474 431 L N -0.148 121.198 121.223 0.205 0.000 2.081 431 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 431 L C 2.710 179.661 176.870 0.134 0.000 1.080 431 L CA 1.551 56.492 54.840 0.168 0.000 0.754 431 L CB -1.410 40.599 42.059 -0.082 0.000 0.893 431 L HN 0.304 nan 8.230 nan 0.000 0.433 432 G N -0.221 108.678 108.800 0.164 0.000 2.394 432 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.214 432 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.214 432 G C 1.603 176.613 174.900 0.184 0.000 1.176 432 G CA 0.373 45.595 45.100 0.203 0.000 0.786 432 G HN 0.211 nan 8.290 nan 0.000 0.533 433 L N 1.603 122.960 121.223 0.224 0.000 2.046 433 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 433 L C 3.099 180.055 176.870 0.142 0.000 1.077 433 L CA 1.575 56.492 54.840 0.129 0.000 0.747 433 L CB -0.472 41.675 42.059 0.148 0.000 0.896 433 L HN 0.407 nan 8.230 nan 0.000 0.432 434 S N -0.592 115.240 115.700 0.220 0.000 2.603 434 S HA 0.115 4.585 4.470 -0.000 0.000 0.229 434 S C 1.429 176.231 174.600 0.336 0.000 0.972 434 S CA 0.429 58.788 58.200 0.266 0.000 0.935 434 S CB 0.143 63.540 63.200 0.328 0.000 0.769 434 S HN 0.608 nan 8.310 nan 0.000 0.536 435 G N 0.807 109.739 108.800 0.219 0.000 2.148 435 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.203 435 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.203 435 G C -0.101 174.779 174.900 -0.034 0.000 0.993 435 G CA -0.013 45.171 45.100 0.140 0.000 0.661 435 G HN 0.576 nan 8.290 nan 0.000 0.518 436 M N 1.751 121.176 119.600 -0.292 0.000 2.268 436 M HA 0.349 4.829 4.480 -0.000 0.000 0.349 436 M C -2.015 174.136 176.300 -0.248 0.000 1.485 436 M CA -1.200 53.755 55.300 -0.575 0.000 1.094 436 M CB 0.638 32.755 32.600 -0.804 0.000 1.843 436 M HN 0.010 nan 8.290 nan 0.000 0.460 437 P HA 0.204 nan 4.420 nan 0.000 0.274 437 P C -1.106 176.033 177.300 -0.268 0.000 1.256 437 P CA -0.272 62.549 63.100 -0.465 0.000 0.795 437 P CB 0.553 31.686 31.700 -0.944 0.000 1.038 438 R N 1.002 121.384 120.500 -0.196 0.000 2.531 438 R HA 0.331 4.671 4.340 -0.000 0.000 0.273 438 R C 0.441 176.809 176.300 0.113 0.000 1.070 438 R CA -0.223 55.827 56.100 -0.083 0.000 1.112 438 R CB 0.167 30.390 30.300 -0.128 0.000 1.049 438 R HN 0.440 nan 8.270 nan 0.000 0.508 439 R N -0.053 120.623 120.500 0.292 0.000 3.854 439 R HA -0.214 4.126 4.340 -0.000 0.000 0.352 439 R C -1.066 175.604 176.300 0.618 0.000 1.156 439 R CA 0.720 57.083 56.100 0.438 0.000 0.917 439 R CB -1.948 28.513 30.300 0.269 0.000 1.471 439 R HN 0.598 nan 8.270 nan 0.000 0.521 440 Y N -0.101 120.349 120.300 0.250 0.000 2.320 440 Y HA 0.117 4.667 4.550 -0.000 0.000 0.334 440 Y C 1.740 177.431 175.900 -0.349 0.000 1.055 440 Y CA -0.117 58.003 58.100 0.034 0.000 1.143 440 Y CB 1.493 39.997 38.460 0.073 0.000 1.193 440 Y HN 0.172 nan 8.280 nan 0.000 0.477 441 S N 0.377 115.769 115.700 -0.513 0.000 2.496 441 S HA -0.006 4.464 4.470 -0.000 0.000 0.224 441 S C -0.032 174.328 174.600 -0.401 0.000 0.996 441 S CA 0.520 58.235 58.200 -0.807 0.000 0.927 441 S CB 0.134 63.023 63.200 -0.519 0.000 0.774 441 S HN 0.718 nan 8.310 nan 0.000 0.524 442 D N -0.624 119.619 120.400 -0.262 0.000 2.615 442 D HA 0.534 5.174 4.640 -0.000 0.000 0.267 442 D C -1.726 174.505 176.300 -0.114 0.000 1.236 442 D CA -0.784 53.029 54.000 -0.312 0.000 0.839 442 D CB 1.633 42.245 40.800 -0.313 0.000 1.380 442 D HN 0.240 nan 8.370 nan 0.000 0.433 443 Y N -2.124 118.211 120.300 0.059 0.000 2.571 443 Y HA 0.725 5.274 4.550 -0.000 0.000 0.341 443 Y C -2.753 173.262 175.900 0.192 0.000 1.076 443 Y CA -2.429 55.767 58.100 0.160 0.000 1.029 443 Y CB 0.048 38.571 38.460 0.106 0.000 1.308 443 Y HN 0.049 nan 8.280 nan 0.000 0.461 444 P HA 0.084 nan 4.420 nan 0.000 0.268 444 P C 0.036 177.546 177.300 0.349 0.000 1.208 444 P CA 0.185 63.478 63.100 0.322 0.000 0.777 444 P CB 0.909 32.802 31.700 0.323 0.000 0.875 445 D N 1.472 121.965 120.400 0.155 0.000 2.149 445 D HA -0.166 4.474 4.640 -0.000 0.000 0.198 445 D C 1.898 178.228 176.300 0.049 0.000 0.990 445 D CA 1.752 55.822 54.000 0.117 0.000 0.839 445 D CB -0.664 40.154 40.800 0.029 0.000 0.948 445 D HN 0.369 nan 8.370 nan 0.000 0.460 446 A N 0.013 122.776 122.820 -0.095 0.000 2.032 446 A HA -0.219 4.101 4.320 -0.000 0.000 0.221 446 A C 1.427 178.827 177.584 -0.307 0.000 1.165 446 A CA 1.099 52.981 52.037 -0.259 0.000 0.645 446 A CB -0.936 17.817 19.000 -0.412 0.000 0.807 446 A HN 0.306 nan 8.150 nan 0.000 0.453 447 Y N 0.208 120.490 120.300 -0.029 0.000 2.502 447 Y HA 0.036 4.586 4.550 -0.000 0.000 0.295 447 Y C 2.414 178.063 175.900 -0.418 0.000 1.193 447 Y CA 0.679 58.659 58.100 -0.200 0.000 1.295 447 Y CB -0.927 37.377 38.460 -0.261 0.000 1.059 447 Y HN 0.232 nan 8.280 nan 0.000 0.514 448 T N 0.154 114.646 114.554 -0.103 0.000 2.708 448 T HA -0.299 4.051 4.350 -0.000 0.000 0.266 448 T C 2.083 176.666 174.700 -0.196 0.000 1.037 448 T CA 1.760 63.818 62.100 -0.071 0.000 1.146 448 T CB -0.259 68.651 68.868 0.071 0.000 0.865 448 T HN 0.443 nan 8.240 nan 0.000 0.435 449 M N -0.403 118.994 119.600 -0.339 0.000 2.065 449 M HA -0.140 4.340 4.480 -0.000 0.000 0.259 449 M C 1.969 178.065 176.300 -0.340 0.000 1.069 449 M CA 1.949 56.972 55.300 -0.462 0.000 1.110 449 M CB -0.276 31.811 32.600 -0.856 0.000 1.328 449 M HN 0.417 nan 8.290 nan 0.000 0.405 450 W N 0.422 121.702 121.300 -0.034 0.000 2.363 450 W HA -0.135 4.525 4.660 -0.000 0.000 0.296 450 W C 2.237 178.678 176.519 -0.129 0.000 1.212 450 W CA 0.237 57.566 57.345 -0.027 0.000 1.260 450 W CB -0.707 28.776 29.460 0.039 0.000 1.131 450 W HN 0.314 nan 8.180 nan 0.000 0.530 451 N N 0.077 118.727 118.700 -0.084 0.000 2.166 451 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 451 N C 1.504 176.979 175.510 -0.057 0.000 1.019 451 N CA 2.109 55.047 53.050 -0.186 0.000 0.856 451 N CB -0.651 37.522 38.487 -0.523 0.000 0.993 451 N HN 0.127 nan 8.380 nan 0.000 0.426 452 T N 2.163 116.695 114.554 -0.036 0.000 2.652 452 T HA -0.067 4.283 4.350 -0.000 0.000 0.267 452 T C 2.164 176.865 174.700 0.003 0.000 1.039 452 T CA 0.833 62.926 62.100 -0.011 0.000 1.153 452 T CB -0.246 68.603 68.868 -0.031 0.000 0.863 452 T HN 0.178 nan 8.240 nan 0.000 0.428 453 I N 0.955 121.554 120.570 0.048 0.000 2.163 453 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 453 I C 2.855 178.994 176.117 0.036 0.000 1.085 453 I CA 1.169 62.518 61.300 0.082 0.000 1.347 453 I CB -0.450 37.681 38.000 0.218 0.000 1.044 453 I HN 0.254 nan 8.210 nan 0.000 0.408 454 S N 0.042 115.751 115.700 0.015 0.000 2.370 454 S HA -0.211 4.259 4.470 -0.000 0.000 0.226 454 S C 2.215 176.762 174.600 -0.087 0.000 1.033 454 S CA 2.170 60.317 58.200 -0.089 0.000 1.011 454 S CB -0.164 62.960 63.200 -0.127 0.000 0.852 454 S HN 0.403 nan 8.310 nan 0.000 0.457 455 S N 0.961 116.647 115.700 -0.024 0.000 2.368 455 S HA 0.033 4.503 4.470 -0.000 0.000 0.224 455 S C 1.877 176.534 174.600 0.095 0.000 1.029 455 S CA 1.460 59.686 58.200 0.045 0.000 0.988 455 S CB -0.347 62.888 63.200 0.059 0.000 0.838 455 S HN 0.535 nan 8.310 nan 0.000 0.462 456 M N 0.871 120.475 119.600 0.008 0.000 2.108 456 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 456 M C 2.421 178.758 176.300 0.062 0.000 1.066 456 M CA 1.543 56.842 55.300 -0.001 0.000 1.107 456 M CB -0.818 31.760 32.600 -0.035 0.000 1.356 456 M HN 0.441 nan 8.290 nan 0.000 0.406 457 G N -0.083 108.721 108.800 0.007 0.000 2.432 457 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.219 457 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.219 457 G C 1.648 176.536 174.900 -0.020 0.000 1.135 457 G CA 1.163 46.247 45.100 -0.027 0.000 0.767 457 G HN 0.570 nan 8.290 nan 0.000 0.550 458 S N 0.136 115.830 115.700 -0.009 0.000 2.383 458 S HA -0.011 4.459 4.470 -0.000 0.000 0.227 458 S C 2.085 176.708 174.600 0.039 0.000 1.026 458 S CA 0.826 59.014 58.200 -0.021 0.000 0.981 458 S CB -0.605 62.568 63.200 -0.045 0.000 0.818 458 S HN 0.268 nan 8.310 nan 0.000 0.472 459 F N 1.652 121.577 119.950 -0.042 0.000 2.171 459 F HA 0.087 4.614 4.527 -0.000 0.000 0.300 459 F C 2.208 178.004 175.800 -0.005 0.000 1.090 459 F CA 1.128 59.118 58.000 -0.017 0.000 1.293 459 F CB -0.322 38.670 39.000 -0.013 0.000 1.013 459 F HN 0.197 nan 8.300 nan 0.000 0.486 460 I N -1.165 119.502 120.570 0.162 0.000 2.252 460 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 460 I C 2.374 178.527 176.117 0.061 0.000 1.102 460 I CA 1.039 62.396 61.300 0.095 0.000 1.385 460 I CB -0.569 37.469 38.000 0.063 0.000 1.064 460 I HN -0.012 nan 8.210 nan 0.000 0.414 461 S N 0.998 116.721 115.700 0.040 0.000 2.359 461 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 461 S C 1.957 176.580 174.600 0.038 0.000 1.035 461 S CA 1.390 59.617 58.200 0.045 0.000 1.018 461 S CB -0.501 62.724 63.200 0.043 0.000 0.876 461 S HN 0.324 nan 8.310 nan 0.000 0.448 462 L N 1.976 123.187 121.223 -0.021 0.000 2.021 462 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 462 L C 2.199 179.073 176.870 0.007 0.000 1.074 462 L CA 2.088 56.895 54.840 -0.055 0.000 0.760 462 L CB -1.525 40.413 42.059 -0.202 0.000 0.889 462 L HN 0.238 nan 8.230 nan 0.000 0.433 463 T N -0.124 114.454 114.554 0.039 0.000 2.788 463 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 463 T C 1.919 176.686 174.700 0.112 0.000 1.044 463 T CA 1.263 63.402 62.100 0.066 0.000 1.139 463 T CB -0.565 68.351 68.868 0.080 0.000 0.867 463 T HN 0.567 nan 8.240 nan 0.000 0.454 464 A N 1.152 124.051 122.820 0.132 0.000 1.883 464 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 464 A C 2.590 180.370 177.584 0.326 0.000 1.186 464 A CA 1.522 53.699 52.037 0.234 0.000 0.624 464 A CB -1.146 17.927 19.000 0.121 0.000 0.822 464 A HN 0.343 nan 8.150 nan 0.000 0.444 465 V N 0.129 120.164 119.914 0.202 0.000 2.282 465 V HA -0.370 3.750 4.120 -0.000 0.000 0.249 465 V C 2.684 178.829 176.094 0.085 0.000 1.057 465 V CA 2.450 64.837 62.300 0.145 0.000 1.032 465 V CB -0.754 31.111 31.823 0.070 0.000 0.645 465 V HN 0.592 nan 8.190 nan 0.000 0.447 466 M N -1.171 118.466 119.600 0.063 0.000 2.175 466 M HA -0.155 4.325 4.480 -0.000 0.000 0.264 466 M C 2.222 178.558 176.300 0.059 0.000 1.063 466 M CA 1.656 56.976 55.300 0.034 0.000 1.119 466 M CB -0.473 32.132 32.600 0.008 0.000 1.377 466 M HN 0.334 nan 8.290 nan 0.000 0.415 467 L N 0.576 121.861 121.223 0.103 0.000 2.056 467 L HA -0.164 4.176 4.340 -0.000 0.000 0.207 467 L C 2.506 179.429 176.870 0.088 0.000 1.078 467 L CA 1.616 56.531 54.840 0.124 0.000 0.749 467 L CB -0.488 41.697 42.059 0.211 0.000 0.901 467 L HN 0.270 nan 8.230 nan 0.000 0.433 468 M N -1.645 117.939 119.600 -0.026 0.000 2.106 468 M HA -0.236 4.244 4.480 -0.000 0.000 0.259 468 M C 2.026 178.266 176.300 -0.099 0.000 1.068 468 M CA 2.098 57.236 55.300 -0.270 0.000 1.100 468 M CB -0.122 32.279 32.600 -0.332 0.000 1.351 468 M HN 0.167 nan 8.290 nan 0.000 0.404 469 V N 0.518 120.425 119.914 -0.012 0.000 2.407 469 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 469 V C 2.167 178.324 176.094 0.106 0.000 1.055 469 V CA 2.126 64.450 62.300 0.039 0.000 1.049 469 V CB -1.052 30.799 31.823 0.047 0.000 0.662 469 V HN 0.659 nan 8.190 nan 0.000 0.455 470 F N 0.644 120.563 119.950 -0.051 0.000 2.186 470 F HA -0.125 4.402 4.527 -0.000 0.000 0.299 470 F C 2.052 177.847 175.800 -0.008 0.000 1.090 470 F CA 1.500 59.484 58.000 -0.026 0.000 1.307 470 F CB -0.305 38.586 39.000 -0.182 0.000 1.019 470 F HN 0.080 nan 8.300 nan 0.000 0.489 471 I N 0.475 120.850 120.570 -0.324 0.000 2.226 471 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 471 I C 2.352 178.248 176.117 -0.369 0.000 1.100 471 I CA 1.573 62.584 61.300 -0.482 0.000 1.374 471 I CB -0.526 37.349 38.000 -0.208 0.000 1.057 471 I HN 0.193 nan 8.210 nan 0.000 0.413 472 I N -0.645 119.816 120.570 -0.182 0.000 2.353 472 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 472 I C 2.442 178.587 176.117 0.047 0.000 1.119 472 I CA 1.210 62.446 61.300 -0.107 0.000 1.417 472 I CB -0.398 37.669 38.000 0.112 0.000 1.078 472 I HN 0.400 nan 8.210 nan 0.000 0.421 473 W N 2.363 123.602 121.300 -0.101 0.000 2.335 473 W HA -0.249 4.411 4.660 -0.000 0.000 0.311 473 W C 2.504 178.926 176.519 -0.161 0.000 1.213 473 W CA 1.796 59.109 57.345 -0.052 0.000 1.274 473 W CB -0.193 29.225 29.460 -0.071 0.000 1.148 473 W HN 0.047 nan 8.180 nan 0.000 0.498 474 E N 0.660 120.520 120.200 -0.566 0.000 2.118 474 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 474 E C 2.091 178.333 176.600 -0.597 0.000 0.992 474 E CA 1.705 57.607 56.400 -0.830 0.000 0.804 474 E CB -0.540 28.654 29.700 -0.844 0.000 0.741 474 E HN 0.336 nan 8.360 nan 0.000 0.458 475 A N 0.099 122.653 122.820 -0.445 0.000 1.873 475 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 475 A C 2.161 179.507 177.584 -0.396 0.000 1.186 475 A CA 1.207 53.033 52.037 -0.352 0.000 0.616 475 A CB -1.021 17.757 19.000 -0.369 0.000 0.823 475 A HN 0.309 nan 8.150 nan 0.000 0.442 476 F N 0.063 119.861 119.950 -0.253 0.000 2.186 476 F HA -0.070 4.457 4.527 -0.000 0.000 0.299 476 F C 2.786 178.287 175.800 -0.498 0.000 1.090 476 F CA 0.752 58.567 58.000 -0.308 0.000 1.307 476 F CB -0.115 38.836 39.000 -0.081 0.000 1.019 476 F HN 0.279 nan 8.300 nan 0.000 0.489 477 A N -0.808 121.702 122.820 -0.517 0.000 1.908 477 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 477 A C 2.290 179.622 177.584 -0.419 0.000 1.181 477 A CA 2.300 53.958 52.037 -0.632 0.000 0.627 477 A CB -0.874 17.341 19.000 -1.307 0.000 0.818 477 A HN 0.317 nan 8.150 nan 0.000 0.445 478 S N -1.433 114.019 115.700 -0.412 0.000 2.456 478 S HA 0.108 4.578 4.470 -0.000 0.000 0.224 478 S C 0.392 174.836 174.600 -0.260 0.000 1.035 478 S CA 0.463 58.499 58.200 -0.274 0.000 0.940 478 S CB -0.005 63.068 63.200 -0.212 0.000 0.799 478 S HN 0.574 nan 8.310 nan 0.000 0.508 479 K N 1.259 121.399 120.400 -0.435 0.000 3.239 479 K HA -0.147 4.173 4.320 -0.000 0.000 0.270 479 K C -0.986 175.547 176.600 -0.112 0.000 1.049 479 K CA 0.266 56.224 56.287 -0.548 0.000 0.769 479 K CB -1.182 31.104 32.500 -0.358 0.000 1.305 479 K HN 0.349 nan 8.250 nan 0.000 0.469 480 R N 1.599 122.081 120.500 -0.030 0.000 2.210 480 R HA 0.163 4.503 4.340 -0.000 0.000 0.338 480 R C -0.041 176.383 176.300 0.207 0.000 1.062 480 R CA -0.257 55.890 56.100 0.079 0.000 0.902 480 R CB 0.692 31.019 30.300 0.045 0.000 1.050 480 R HN 0.235 nan 8.270 nan 0.000 0.461 481 E N 1.870 122.190 120.200 0.201 0.000 2.266 481 E HA 0.151 4.501 4.350 -0.000 0.000 0.277 481 E C -0.196 176.459 176.600 0.092 0.000 1.018 481 E CA -0.600 55.917 56.400 0.194 0.000 0.840 481 E CB 1.757 31.547 29.700 0.149 0.000 1.082 481 E HN 0.195 nan 8.360 nan 0.000 0.395 482 V N 4.362 124.307 119.914 0.051 0.000 2.843 482 V HA -0.037 4.083 4.120 -0.000 0.000 0.305 482 V C 0.989 177.102 176.094 0.032 0.000 1.065 482 V CA 0.697 63.019 62.300 0.037 0.000 1.116 482 V CB 0.772 32.615 31.823 0.034 0.000 0.968 482 V HN 0.716 nan 8.190 nan 0.000 0.487 483 L N 1.978 123.216 121.223 0.025 0.000 2.862 483 L HA 0.282 4.622 4.340 -0.000 0.000 0.169 483 L C 0.592 177.471 176.870 0.016 0.000 1.164 483 L CA 0.436 55.289 54.840 0.022 0.000 0.858 483 L CB 0.576 42.646 42.059 0.019 0.000 1.329 483 L HN 0.611 nan 8.230 nan 0.000 0.514 484 T N 0.625 115.178 114.554 -0.000 0.000 2.856 484 T HA 0.592 4.942 4.350 -0.000 0.000 0.283 484 T C -0.784 173.883 174.700 -0.056 0.000 1.008 484 T CA -0.276 61.816 62.100 -0.013 0.000 0.997 484 T CB 2.798 71.659 68.868 -0.012 0.000 0.992 484 T HN -0.220 nan 8.240 nan 0.000 0.454 485 V N 2.582 122.447 119.914 -0.082 0.000 2.656 485 V HA 0.418 4.538 4.120 -0.000 0.000 0.307 485 V C -0.247 175.763 176.094 -0.140 0.000 1.051 485 V CA -0.866 61.314 62.300 -0.199 0.000 0.893 485 V CB 2.179 33.783 31.823 -0.366 0.000 0.999 485 V HN 0.830 nan 8.190 nan 0.000 0.426 486 D N 2.297 122.620 120.400 -0.128 0.000 2.387 486 D HA 0.501 5.141 4.640 -0.000 0.000 0.251 486 D C 0.809 177.021 176.300 -0.147 0.000 1.141 486 D CA -0.085 53.837 54.000 -0.130 0.000 0.987 486 D CB 1.133 41.827 40.800 -0.178 0.000 1.116 486 D HN 0.531 nan 8.370 nan 0.000 0.491 487 L N 0.156 121.292 121.223 -0.146 0.000 4.089 487 L HA -0.303 4.037 4.340 -0.000 0.000 0.408 487 L C 1.661 178.548 176.870 0.029 0.000 1.184 487 L CA 0.679 55.445 54.840 -0.123 0.000 0.947 487 L CB -2.532 39.310 42.059 -0.361 0.000 2.066 487 L HN 0.562 nan 8.230 nan 0.000 0.851 488 T N -4.898 109.691 114.554 0.059 0.000 2.929 488 T HA -0.196 4.154 4.350 -0.000 0.000 0.271 488 T C 1.727 176.523 174.700 0.160 0.000 1.085 488 T CA 1.633 63.828 62.100 0.157 0.000 1.125 488 T CB -0.499 68.461 68.868 0.153 0.000 0.874 488 T HN 0.606 nan 8.240 nan 0.000 0.494 489 T N 0.592 115.205 114.554 0.099 0.000 2.929 489 T HA -0.074 4.276 4.350 -0.000 0.000 0.271 489 T C 1.617 176.388 174.700 0.118 0.000 1.085 489 T CA 1.399 63.558 62.100 0.098 0.000 1.125 489 T CB -0.856 68.046 68.868 0.057 0.000 0.874 489 T HN 0.679 nan 8.240 nan 0.000 0.494 490 T N -1.259 113.375 114.554 0.132 0.000 3.393 490 T HA 0.336 4.686 4.350 -0.000 0.000 0.298 490 T C -0.055 174.785 174.700 0.235 0.000 1.004 490 T CA -0.846 61.343 62.100 0.148 0.000 0.956 490 T CB -0.149 68.773 68.868 0.091 0.000 1.182 490 T HN 0.278 nan 8.240 nan 0.000 0.497 491 N N 1.478 120.362 118.700 0.307 0.000 2.726 491 N HA 0.186 4.926 4.740 -0.000 0.000 0.253 491 N C 0.350 176.149 175.510 0.481 0.000 1.530 491 N CA -0.275 53.058 53.050 0.471 0.000 0.772 491 N CB 1.851 40.724 38.487 0.643 0.000 1.220 491 N HN 0.078 nan 8.380 nan 0.000 0.508 492 L N 2.055 123.504 121.223 0.376 0.000 2.191 492 L HA -0.116 4.224 4.340 -0.000 0.000 0.212 492 L C 2.354 179.447 176.870 0.373 0.000 1.103 492 L CA 1.923 56.971 54.840 0.346 0.000 0.769 492 L CB -0.106 42.122 42.059 0.282 0.000 0.908 492 L HN 0.386 nan 8.230 nan 0.000 0.438 493 E N -1.495 118.910 120.200 0.341 0.000 2.333 493 E HA -0.270 4.080 4.350 -0.000 0.000 0.198 493 E C 1.518 178.189 176.600 0.118 0.000 1.007 493 E CA 1.331 57.859 56.400 0.215 0.000 0.845 493 E CB -0.892 28.846 29.700 0.064 0.000 0.766 493 E HN 0.709 nan 8.360 nan 0.000 0.507 494 W N 0.456 121.893 121.300 0.229 0.000 3.197 494 W HA 0.233 4.893 4.660 -0.000 0.000 0.274 494 W C 1.724 178.314 176.519 0.119 0.000 1.297 494 W CA -0.431 57.003 57.345 0.147 0.000 1.662 494 W CB 0.085 29.616 29.460 0.117 0.000 1.106 494 W HN 0.088 nan 8.180 nan 0.000 0.663 495 L N 0.738 122.157 121.223 0.327 0.000 2.509 495 L HA 0.143 4.483 4.340 -0.000 0.000 0.222 495 L C 1.291 178.237 176.870 0.127 0.000 1.123 495 L CA 1.364 56.341 54.840 0.228 0.000 0.856 495 L CB -0.340 41.855 42.059 0.228 0.000 0.985 495 L HN -0.079 nan 8.230 nan 0.000 0.456 496 N N 0.812 119.563 118.700 0.085 0.000 2.362 496 N HA 0.160 4.900 4.740 -0.000 0.000 0.204 496 N C 0.735 176.272 175.510 0.045 0.000 1.166 496 N CA 0.780 53.830 53.050 -0.000 0.000 0.831 496 N CB 0.078 38.499 38.487 -0.111 0.000 1.008 496 N HN 0.444 nan 8.380 nan 0.000 0.472 497 G N 0.346 109.207 108.800 0.102 0.000 2.782 497 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.228 497 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.228 497 G C -0.781 174.175 174.900 0.094 0.000 1.372 497 G CA -0.599 44.561 45.100 0.100 0.000 0.862 497 G HN 0.338 nan 8.290 nan 0.000 0.547 498 C N 2.148 121.487 119.300 0.064 0.000 2.383 498 C HA 0.683 5.143 4.460 -0.000 0.000 0.330 498 C C -1.602 173.355 174.990 -0.055 0.000 1.168 498 C CA -0.692 58.333 59.018 0.011 0.000 1.374 498 C CB 1.391 29.155 27.740 0.039 0.000 2.014 498 C HN 0.840 nan 8.230 nan 0.000 0.439 499 P HA 0.360 nan 4.420 nan 0.000 0.277 499 P C -2.603 174.739 177.300 0.071 0.000 1.240 499 P CA -1.163 61.951 63.100 0.024 0.000 0.798 499 P CB 0.197 31.946 31.700 0.082 0.000 0.979 500 P HA 0.208 nan 4.420 nan 0.000 0.270 500 P C -2.404 174.923 177.300 0.045 0.000 1.223 500 P CA -1.169 61.979 63.100 0.080 0.000 0.785 500 P CB -1.308 30.462 31.700 0.116 0.000 0.923 501 P HA 0.008 nan 4.420 nan 0.000 0.270 501 P C 0.853 178.143 177.300 -0.016 0.000 1.223 501 P CA -0.034 63.076 63.100 0.016 0.000 0.785 501 P CB 0.146 31.858 31.700 0.021 0.000 0.923 502 Y N 1.430 121.628 120.300 -0.171 0.000 2.062 502 Y HA -0.268 4.282 4.550 -0.000 0.000 0.276 502 Y C 0.752 176.444 175.900 -0.346 0.000 1.189 502 Y CA 1.814 59.718 58.100 -0.327 0.000 1.130 502 Y CB -0.463 37.748 38.460 -0.416 0.000 0.959 502 Y HN 0.415 nan 8.280 nan 0.000 0.499 503 H N -0.256 118.845 119.070 0.051 0.000 2.519 503 H HA 0.388 4.944 4.556 -0.000 0.000 0.316 503 H C -0.259 175.056 175.328 -0.023 0.000 1.065 503 H CA -0.178 55.870 56.048 -0.000 0.000 1.264 503 H CB 1.067 30.867 29.762 0.064 0.000 1.413 503 H HN 0.042 nan 8.280 nan 0.000 0.465 504 T N -0.311 114.302 114.554 0.099 0.000 2.907 504 T HA 0.325 4.675 4.350 -0.000 0.000 0.292 504 T C -0.255 174.485 174.700 0.067 0.000 1.043 504 T CA -0.980 61.081 62.100 -0.065 0.000 1.003 504 T CB 1.017 69.780 68.868 -0.174 0.000 1.084 504 T HN 0.562 nan 8.240 nan 0.000 0.483 505 F N -0.236 119.749 119.950 0.059 0.000 3.091 505 F HA -0.212 4.315 4.527 -0.000 0.000 0.288 505 F C 1.331 177.143 175.800 0.020 0.000 0.907 505 F CA 0.516 58.538 58.000 0.037 0.000 1.028 505 F CB -2.510 36.502 39.000 0.020 0.000 1.022 505 F HN 0.825 nan 8.300 nan 0.000 0.665 506 E N 0.236 120.501 120.200 0.108 0.000 2.160 506 E HA -0.210 4.140 4.350 -0.000 0.000 0.195 506 E C 1.074 177.711 176.600 0.061 0.000 0.991 506 E CA 1.463 57.897 56.400 0.056 0.000 0.810 506 E CB 0.033 29.739 29.700 0.009 0.000 0.742 506 E HN 0.659 nan 8.360 nan 0.000 0.466 507 E N 1.666 121.915 120.200 0.081 0.000 2.113 507 E HA 0.154 4.504 4.350 -0.000 0.000 0.273 507 E C -2.386 174.310 176.600 0.161 0.000 0.924 507 E CA -2.804 53.651 56.400 0.091 0.000 0.764 507 E CB 0.990 30.732 29.700 0.070 0.000 1.104 507 E HN -0.177 nan 8.360 nan 0.000 0.406 508 P HA -0.014 nan 4.420 nan 0.000 0.271 508 P C -0.157 177.264 177.300 0.202 0.000 1.233 508 P CA -0.322 62.878 63.100 0.166 0.000 0.789 508 P CB 0.343 32.080 31.700 0.061 0.000 0.951 509 T N -1.308 113.372 114.554 0.211 0.000 2.791 509 T HA 0.046 4.396 4.350 -0.000 0.000 0.323 509 T C -0.401 174.404 174.700 0.174 0.000 1.082 509 T CA -0.074 62.148 62.100 0.204 0.000 1.084 509 T CB -0.076 68.885 68.868 0.155 0.000 0.992 509 T HN 0.392 nan 8.240 nan 0.000 0.547 510 Y N 1.333 121.670 120.300 0.062 0.000 2.331 510 Y HA 0.571 5.121 4.550 -0.000 0.000 0.338 510 Y C -1.300 174.621 175.900 0.035 0.000 0.976 510 Y CA -1.204 56.920 58.100 0.041 0.000 1.137 510 Y CB 0.988 39.473 38.460 0.041 0.000 1.172 510 Y HN 0.601 nan 8.280 nan 0.000 0.478 511 V N 6.777 126.494 119.914 -0.328 0.000 2.569 511 V HA 0.281 4.401 4.120 -0.000 0.000 0.301 511 V C -0.735 175.146 176.094 -0.355 0.000 1.044 511 V CA -1.148 61.033 62.300 -0.199 0.000 0.874 511 V CB 1.700 33.472 31.823 -0.084 0.000 1.002 511 V HN 0.862 nan 8.190 nan 0.000 0.424 512 N N 3.031 121.574 118.700 -0.262 0.000 2.530 512 N HA 0.295 5.035 4.740 -0.000 0.000 0.277 512 N C 0.577 176.025 175.510 -0.103 0.000 1.168 512 N CA -0.622 52.308 53.050 -0.200 0.000 0.979 512 N CB 1.172 39.648 38.487 -0.017 0.000 1.141 512 N HN 0.531 nan 8.380 nan 0.000 0.459 513 L N 1.619 122.791 121.223 -0.084 0.000 2.416 513 L HA 0.233 4.573 4.340 -0.000 0.000 0.216 513 L C 0.401 177.260 176.870 -0.020 0.000 1.098 513 L CA 1.243 56.055 54.840 -0.047 0.000 0.840 513 L CB -0.671 41.361 42.059 -0.046 0.000 0.981 513 L HN 0.694 nan 8.230 nan 0.000 0.462 514 K N 0.000 120.394 120.400 -0.010 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.290 56.287 0.005 0.000 0.838 514 K CB 0.000 32.506 32.500 0.010 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543