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 1bli_1_A DATA FIRST_RESID 3 DATA SEQUENCE LNGTLMQYFE WYMPNDGQHW KRLQNDSAYL AEHGITAVWI PPAYKGTSQA DATA SEQUENCE DVGYGAYDLY DLGEFHQKGT VRTKYGTKGE LQSAIKSLHS RDINVYGDVV DATA SEQUENCE INHKGGADAT EDVTAVEVDP ADRNRVISGE HLIKAWTHFH FPGRGSTYSD DATA SEQUENCE FKWHWYHFDG TDWDESRKLN RIYKFQGKAW DWEVSNEFGN YDYLMYADID DATA SEQUENCE YDHPDVAAEI KRWGTWYANE LQLDGFRLDA VKHIKFSFLR DWVNHVREKT DATA SEQUENCE GKEMFTVAEY WSYDLGALEN YLNKTNFNHS VFDVPLHYQF HAASTQGGGY DATA SEQUENCE DMRKLLNGTV VSKHPLKSVT FVDNHDTQPG QSLESTVQTW FKPLAYAFIL DATA SEQUENCE TRESGYPQVF YGDMYGTKGD SQREIPALKH KIEPILKARK QYAYGAQHDY DATA SEQUENCE FDHHDIVGWT REGDSSVANS GLAALITDGP GGAKRMYVGR QNAGETWHDI DATA SEQUENCE TGNRSEPVVI NSAGWGEFHV NGGSVSIYVQ R VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 L HA 0.000 nan 4.340 nan 0.000 0.249 3 L C 0.000 176.970 176.870 0.167 0.000 1.165 3 L CA 0.000 54.937 54.840 0.162 0.000 0.813 3 L CB 0.000 42.092 42.059 0.055 0.000 0.961 4 N N 2.224 121.048 118.700 0.207 0.000 2.492 4 N HA 0.362 5.103 4.740 0.001 0.000 0.262 4 N C -0.029 175.504 175.510 0.038 0.000 1.202 4 N CA 0.630 53.704 53.050 0.041 0.000 0.926 4 N CB 1.445 39.882 38.487 -0.082 0.000 1.078 4 N HN 0.790 nan 8.380 nan 0.000 0.454 5 G N 0.476 109.276 108.800 0.000 0.000 2.377 5 G HA2 0.477 4.438 3.960 0.001 0.000 0.299 5 G HA3 0.477 4.438 3.960 0.001 0.000 0.299 5 G C -0.626 174.407 174.900 0.223 0.000 1.150 5 G CA -0.253 44.872 45.100 0.043 0.000 0.847 5 G HN 0.391 nan 8.290 nan 0.000 0.501 6 T N 2.002 116.716 114.554 0.267 0.000 2.928 6 T HA 0.381 4.732 4.350 0.001 0.000 0.296 6 T C -0.850 173.977 174.700 0.211 0.000 1.000 6 T CA -0.481 61.774 62.100 0.257 0.000 0.989 6 T CB 1.796 70.759 68.868 0.158 0.000 1.005 6 T HN 0.384 nan 8.240 nan 0.000 0.442 7 L N 3.191 124.481 121.223 0.112 0.000 2.360 7 L HA 0.812 5.152 4.340 0.001 0.000 0.271 7 L C -0.531 176.443 176.870 0.174 0.000 1.057 7 L CA -0.870 54.001 54.840 0.052 0.000 0.803 7 L CB 1.340 43.297 42.059 -0.171 0.000 1.207 7 L HN 0.827 nan 8.230 nan 0.000 0.445 8 M N 3.871 123.606 119.600 0.224 0.000 2.263 8 M HA 0.358 4.839 4.480 0.001 0.000 0.295 8 M C -1.122 175.388 176.300 0.349 0.000 1.028 8 M CA -0.462 55.009 55.300 0.285 0.000 0.921 8 M CB 1.488 34.259 32.600 0.286 0.000 1.601 8 M HN 0.720 nan 8.290 nan 0.000 0.440 9 Q N 3.529 123.518 119.800 0.315 0.000 2.323 9 Q HA 0.062 4.403 4.340 0.001 0.000 0.257 9 Q C -1.650 174.396 176.000 0.077 0.000 1.022 9 Q CA -0.050 55.794 55.803 0.067 0.000 0.919 9 Q CB 0.532 29.142 28.738 -0.214 0.000 1.220 9 Q HN 0.817 nan 8.270 nan 0.000 0.427 10 Y N 7.517 127.854 120.300 0.061 0.000 2.826 10 Y HA 0.245 4.796 4.550 0.002 0.000 0.371 10 Y C -1.397 174.572 175.900 0.116 0.000 1.252 10 Y CA -0.485 57.736 58.100 0.201 0.000 1.813 10 Y CB -0.206 38.393 38.460 0.232 0.000 1.913 10 Y HN 0.574 nan 8.280 nan 0.000 0.447 11 F N -0.841 118.783 119.950 -0.543 0.000 2.829 11 F HA 0.481 5.009 4.527 0.002 0.000 0.319 11 F C -2.014 173.527 175.800 -0.431 0.000 1.153 11 F CA -1.296 56.217 58.000 -0.812 0.000 0.912 11 F CB 1.003 39.613 39.000 -0.649 0.000 1.292 11 F HN -0.079 nan 8.300 nan 0.000 0.447 12 E N 1.531 121.603 120.200 -0.213 0.000 2.369 12 E HA 0.111 4.462 4.350 0.001 0.000 0.270 12 E C -0.648 176.083 176.600 0.219 0.000 0.909 12 E CA -0.620 55.812 56.400 0.055 0.000 0.775 12 E CB 2.013 31.752 29.700 0.065 0.000 1.270 12 E HN 0.953 nan 8.360 nan 0.000 0.445 13 W N 3.054 124.424 121.300 0.116 0.000 2.358 13 W HA -0.163 4.498 4.660 0.001 0.000 0.303 13 W C 0.233 176.568 176.519 -0.307 0.000 1.208 13 W CA 1.165 58.452 57.345 -0.097 0.000 1.274 13 W CB 0.212 29.458 29.460 -0.357 0.000 1.138 13 W HN 0.562 nan 8.180 nan 0.000 0.515 14 Y N 0.062 120.514 120.300 0.253 0.000 2.495 14 Y HA 0.193 4.745 4.550 0.002 0.000 0.293 14 Y C 1.147 177.057 175.900 0.015 0.000 1.186 14 Y CA -0.016 58.160 58.100 0.127 0.000 1.266 14 Y CB -0.999 37.571 38.460 0.183 0.000 1.101 14 Y HN -0.366 nan 8.280 nan 0.000 0.517 15 M N 2.899 122.514 119.600 0.026 0.000 2.252 15 M HA 0.089 4.570 4.480 0.001 0.000 0.333 15 M C -2.034 174.219 176.300 -0.078 0.000 1.111 15 M CA -1.455 53.822 55.300 -0.038 0.000 1.140 15 M CB 0.068 32.555 32.600 -0.187 0.000 1.538 15 M HN -0.042 nan 8.290 nan 0.000 0.448 16 P HA -0.005 nan 4.420 nan 0.000 0.269 16 P C -0.884 176.325 177.300 -0.151 0.000 1.209 16 P CA -0.121 62.934 63.100 -0.076 0.000 0.776 16 P CB 0.289 31.962 31.700 -0.044 0.000 0.876 17 N N 2.172 120.776 118.700 -0.161 0.000 3.124 17 N HA -0.013 4.727 4.740 0.001 0.000 0.284 17 N C 0.071 175.480 175.510 -0.167 0.000 1.209 17 N CA -0.162 52.757 53.050 -0.220 0.000 1.149 17 N CB -0.719 37.643 38.487 -0.207 0.000 1.434 17 N HN 0.256 nan 8.380 nan 0.000 0.529 18 D N 0.266 120.574 120.400 -0.154 0.000 2.433 18 D HA 0.172 4.812 4.640 0.001 0.000 0.211 18 D C 1.173 177.409 176.300 -0.107 0.000 1.114 18 D CA 0.183 54.118 54.000 -0.107 0.000 0.837 18 D CB -0.426 40.332 40.800 -0.069 0.000 0.984 18 D HN 0.290 nan 8.370 nan 0.000 0.505 19 G N 0.684 109.389 108.800 -0.158 0.000 2.168 19 G HA2 -0.335 3.626 3.960 0.001 0.000 0.257 19 G HA3 -0.335 3.626 3.960 0.001 0.000 0.257 19 G C 0.965 175.811 174.900 -0.089 0.000 0.997 19 G CA 0.485 45.499 45.100 -0.144 0.000 0.708 19 G HN 0.339 nan 8.290 nan 0.000 0.520 20 Q N -1.122 118.641 119.800 -0.063 0.000 2.319 20 Q HA 0.153 4.494 4.340 0.001 0.000 0.209 20 Q C 1.720 177.732 176.000 0.021 0.000 0.884 20 Q CA 0.659 56.456 55.803 -0.010 0.000 0.938 20 Q CB -0.004 28.734 28.738 0.000 0.000 1.098 20 Q HN 0.757 nan 8.270 nan 0.000 0.517 21 H N -0.270 118.713 119.070 -0.145 0.000 2.353 21 H HA -0.168 4.389 4.556 0.001 0.000 0.298 21 H C 1.335 176.669 175.328 0.010 0.000 1.103 21 H CA 2.079 58.050 56.048 -0.130 0.000 1.293 21 H CB -0.119 29.489 29.762 -0.256 0.000 1.372 21 H HN 0.286 nan 8.280 nan 0.000 0.501 22 W N 0.772 122.081 121.300 0.016 0.000 2.388 22 W HA -0.099 4.562 4.660 0.002 0.000 0.294 22 W C 2.446 178.905 176.519 -0.101 0.000 1.212 22 W CA 0.310 57.603 57.345 -0.086 0.000 1.271 22 W CB 0.081 29.525 29.460 -0.027 0.000 1.126 22 W HN 0.122 nan 8.180 nan 0.000 0.535 23 K N 0.521 121.015 120.400 0.156 0.000 2.097 23 K HA -0.093 4.228 4.320 0.001 0.000 0.205 23 K C 1.948 178.568 176.600 0.033 0.000 1.050 23 K CA 1.049 57.381 56.287 0.075 0.000 0.938 23 K CB -0.321 32.213 32.500 0.056 0.000 0.718 23 K HN 0.190 nan 8.250 nan 0.000 0.442 24 R N 0.746 121.261 120.500 0.026 0.000 2.073 24 R HA -0.134 4.207 4.340 0.001 0.000 0.234 24 R C 2.389 178.707 176.300 0.029 0.000 1.134 24 R CA 1.083 57.206 56.100 0.037 0.000 0.952 24 R CB -0.432 29.922 30.300 0.089 0.000 0.850 24 R HN 0.092 nan 8.270 nan 0.000 0.433 25 L N 1.348 122.533 121.223 -0.064 0.000 2.017 25 L HA -0.224 4.117 4.340 0.001 0.000 0.208 25 L C 2.370 179.135 176.870 -0.175 0.000 1.073 25 L CA 1.843 56.515 54.840 -0.280 0.000 0.745 25 L CB -0.673 41.172 42.059 -0.356 0.000 0.894 25 L HN 0.182 nan 8.230 nan 0.000 0.432 26 Q N -0.333 119.417 119.800 -0.083 0.000 2.061 26 Q HA -0.263 4.078 4.340 0.001 0.000 0.204 26 Q C 1.938 177.918 176.000 -0.034 0.000 0.984 26 Q CA 2.393 58.158 55.803 -0.063 0.000 0.846 26 Q CB -0.231 28.489 28.738 -0.031 0.000 0.902 26 Q HN 0.753 nan 8.270 nan 0.000 0.421 27 N N -0.042 118.651 118.700 -0.012 0.000 2.381 27 N HA -0.122 4.619 4.740 0.001 0.000 0.182 27 N C 0.781 176.310 175.510 0.031 0.000 1.025 27 N CA 0.736 53.790 53.050 0.006 0.000 0.888 27 N CB 0.069 38.559 38.487 0.003 0.000 0.965 27 N HN 0.191 nan 8.380 nan 0.000 0.438 28 D N -0.296 120.130 120.400 0.043 0.000 2.349 28 D HA 0.051 4.692 4.640 0.001 0.000 0.215 28 D C 1.679 178.066 176.300 0.146 0.000 1.016 28 D CA 0.101 54.182 54.000 0.135 0.000 0.870 28 D CB -0.004 40.933 40.800 0.229 0.000 0.917 28 D HN -0.046 nan 8.370 nan 0.000 0.524 29 S N -0.138 115.588 115.700 0.044 0.000 2.380 29 S HA -0.297 4.174 4.470 0.001 0.000 0.229 29 S C 2.050 176.691 174.600 0.067 0.000 1.050 29 S CA 1.897 60.110 58.200 0.021 0.000 1.100 29 S CB -0.197 62.993 63.200 -0.016 0.000 0.984 29 S HN 0.353 nan 8.310 nan 0.000 0.434 30 A N -0.218 122.652 122.820 0.084 0.000 1.902 30 A HA -0.094 4.226 4.320 0.001 0.000 0.217 30 A C 2.051 179.720 177.584 0.142 0.000 1.181 30 A CA 1.883 53.971 52.037 0.086 0.000 0.623 30 A CB -1.204 17.843 19.000 0.079 0.000 0.818 30 A HN 0.796 nan 8.150 nan 0.000 0.443 31 Y N 0.570 120.927 120.300 0.094 0.000 2.181 31 Y HA -0.153 4.398 4.550 0.001 0.000 0.288 31 Y C 1.926 177.967 175.900 0.236 0.000 1.146 31 Y CA 1.810 60.019 58.100 0.182 0.000 1.164 31 Y CB -0.272 38.301 38.460 0.188 0.000 0.982 31 Y HN 0.216 nan 8.280 nan 0.000 0.515 32 L N -0.253 121.081 121.223 0.185 0.000 2.017 32 L HA -0.213 4.128 4.340 0.001 0.000 0.208 32 L C 2.833 179.704 176.870 0.002 0.000 1.073 32 L CA 1.215 56.101 54.840 0.078 0.000 0.745 32 L CB -1.125 41.013 42.059 0.131 0.000 0.894 32 L HN 0.341 nan 8.230 nan 0.000 0.432 33 A N 0.740 123.564 122.820 0.008 0.000 1.902 33 A HA -0.269 4.052 4.320 0.001 0.000 0.217 33 A C 2.226 179.768 177.584 -0.069 0.000 1.181 33 A CA 1.930 53.955 52.037 -0.020 0.000 0.623 33 A CB -0.624 18.369 19.000 -0.011 0.000 0.818 33 A HN 0.611 nan 8.150 nan 0.000 0.443 34 E N -0.842 119.291 120.200 -0.111 0.000 2.110 34 E HA -0.245 4.106 4.350 0.001 0.000 0.193 34 E C 1.347 177.707 176.600 -0.400 0.000 0.988 34 E CA 1.473 57.731 56.400 -0.238 0.000 0.804 34 E CB -0.472 29.072 29.700 -0.260 0.000 0.745 34 E HN 0.745 nan 8.360 nan 0.000 0.458 35 H N -0.550 118.379 119.070 -0.236 0.000 2.533 35 H HA 0.187 4.744 4.556 0.001 0.000 0.271 35 H C 0.940 176.198 175.328 -0.116 0.000 1.000 35 H CA 0.649 56.567 56.048 -0.218 0.000 1.149 35 H CB 0.964 30.497 29.762 -0.381 0.000 1.375 35 H HN 0.502 nan 8.280 nan 0.000 0.582 36 G N 1.380 110.166 108.800 -0.023 0.000 2.141 36 G HA2 -0.264 3.697 3.960 0.001 0.000 0.242 36 G HA3 -0.264 3.697 3.960 0.001 0.000 0.242 36 G C -0.008 174.916 174.900 0.040 0.000 0.982 36 G CA -0.192 44.915 45.100 0.011 0.000 0.662 36 G HN 0.202 nan 8.290 nan 0.000 0.527 37 I N 1.891 122.485 120.570 0.039 0.000 2.396 37 I HA 0.401 4.571 4.170 0.001 0.000 0.289 37 I C 1.712 177.857 176.117 0.046 0.000 1.056 37 I CA 1.087 62.424 61.300 0.063 0.000 1.365 37 I CB 1.597 39.643 38.000 0.078 0.000 1.407 37 I HN 0.272 nan 8.210 nan 0.000 0.509 38 T N 2.216 116.806 114.554 0.060 0.000 3.044 38 T HA 0.704 5.055 4.350 0.001 0.000 0.260 38 T C 0.279 174.980 174.700 0.002 0.000 1.019 38 T CA 0.087 62.208 62.100 0.036 0.000 0.921 38 T CB 0.242 69.138 68.868 0.048 0.000 1.053 38 T HN 0.614 nan 8.240 nan 0.000 0.533 39 A N 1.006 123.814 122.820 -0.021 0.000 2.566 39 A HA 0.704 5.025 4.320 0.001 0.000 0.297 39 A C -1.046 176.458 177.584 -0.133 0.000 1.059 39 A CA -0.706 51.217 52.037 -0.191 0.000 0.691 39 A CB 1.543 20.325 19.000 -0.363 0.000 1.282 39 A HN 0.975 nan 8.150 nan 0.000 0.401 40 V N -1.597 118.215 119.914 -0.169 0.000 2.735 40 V HA 0.884 5.005 4.120 0.001 0.000 0.310 40 V C -0.917 175.275 176.094 0.163 0.000 1.061 40 V CA -0.736 61.594 62.300 0.051 0.000 0.913 40 V CB 1.680 33.537 31.823 0.057 0.000 1.005 40 V HN 1.493 nan 8.190 nan 0.000 0.428 41 W N 7.669 129.088 121.300 0.199 0.000 2.314 41 W HA 0.788 5.449 4.660 0.001 0.000 0.310 41 W C -0.556 176.197 176.519 0.389 0.000 1.075 41 W CA -2.239 55.313 57.345 0.344 0.000 1.253 41 W CB 0.730 30.465 29.460 0.459 0.000 1.238 41 W HN 0.865 nan 8.180 nan 0.000 0.440 42 I N 6.081 126.971 120.570 0.532 0.000 2.566 42 I HA 0.645 4.816 4.170 0.001 0.000 0.303 42 I C -1.882 174.319 176.117 0.141 0.000 0.983 42 I CA -2.724 58.750 61.300 0.290 0.000 1.235 42 I CB 1.348 39.469 38.000 0.201 0.000 1.386 42 I HN 0.211 nan 8.210 nan 0.000 0.494 43 P HA 0.225 nan 4.420 nan 0.000 0.272 43 P C -2.616 174.436 177.300 -0.415 0.000 1.240 43 P CA -1.375 61.106 63.100 -1.032 0.000 0.791 43 P CB -0.677 29.786 31.700 -2.062 0.000 0.978 44 P HA -0.056 nan 4.420 nan 0.000 0.260 44 P C 0.363 177.395 177.300 -0.448 0.000 1.172 44 P CA 0.810 63.599 63.100 -0.518 0.000 0.760 44 P CB -0.190 31.134 31.700 -0.627 0.000 0.773 45 A N 3.386 125.910 122.820 -0.493 0.000 2.275 45 A HA 0.125 4.446 4.320 0.001 0.000 0.212 45 A C 0.131 177.721 177.584 0.009 0.000 1.201 45 A CA 0.365 52.405 52.037 0.004 0.000 0.843 45 A CB -0.707 18.379 19.000 0.143 0.000 0.873 45 A HN 0.570 nan 8.150 nan 0.000 0.492 46 Y N -2.268 118.175 120.300 0.239 0.000 2.519 46 Y HA 0.702 5.253 4.550 0.001 0.000 0.324 46 Y C 0.320 176.303 175.900 0.140 0.000 1.214 46 Y CA -2.663 55.552 58.100 0.191 0.000 1.260 46 Y CB 0.310 38.829 38.460 0.098 0.000 1.311 46 Y HN -0.136 nan 8.280 nan 0.000 0.505 47 K N 1.112 121.730 120.400 0.363 0.000 2.472 47 K HA 0.308 4.628 4.320 0.001 0.000 0.280 47 K C 0.188 176.959 176.600 0.284 0.000 1.028 47 K CA 0.638 57.103 56.287 0.295 0.000 1.045 47 K CB -0.102 32.637 32.500 0.397 0.000 0.902 47 K HN 0.951 nan 8.250 nan 0.000 0.478 48 G N 1.105 109.991 108.800 0.144 0.000 2.702 48 G HA2 0.117 4.078 3.960 0.001 0.000 0.254 48 G HA3 0.117 4.078 3.960 0.001 0.000 0.254 48 G C 0.588 175.513 174.900 0.042 0.000 1.380 48 G CA 0.025 45.178 45.100 0.088 0.000 1.042 48 G HN 0.662 nan 8.290 nan 0.000 0.557 49 T N -2.775 111.754 114.554 -0.042 0.000 3.035 49 T HA 0.197 4.548 4.350 0.001 0.000 0.268 49 T C 1.002 175.605 174.700 -0.161 0.000 1.109 49 T CA 1.224 63.245 62.100 -0.130 0.000 1.119 49 T CB -0.407 68.379 68.868 -0.138 0.000 0.900 49 T HN 1.325 nan 8.240 nan 0.000 0.503 50 S N -1.283 114.342 115.700 -0.125 0.000 2.636 50 S HA 0.331 4.802 4.470 0.001 0.000 0.268 50 S C 0.538 175.059 174.600 -0.131 0.000 1.159 50 S CA -0.599 57.523 58.200 -0.131 0.000 0.815 50 S CB 1.409 64.535 63.200 -0.124 0.000 1.130 50 S HN 0.079 nan 8.310 nan 0.000 0.471 51 Q N 0.159 119.878 119.800 -0.135 0.000 2.135 51 Q HA -0.074 4.267 4.340 0.001 0.000 0.204 51 Q C 1.806 177.671 176.000 -0.225 0.000 0.981 51 Q CA 1.828 57.534 55.803 -0.162 0.000 0.856 51 Q CB -0.522 28.127 28.738 -0.147 0.000 0.902 51 Q HN 0.902 nan 8.270 nan 0.000 0.425 52 A N 0.564 123.262 122.820 -0.203 0.000 2.251 52 A HA -0.017 4.304 4.320 0.001 0.000 0.209 52 A C 0.332 177.750 177.584 -0.276 0.000 1.187 52 A CA -0.041 51.850 52.037 -0.244 0.000 0.823 52 A CB -0.056 18.840 19.000 -0.174 0.000 0.846 52 A HN 0.352 nan 8.150 nan 0.000 0.486 53 D N 0.222 120.480 120.400 -0.236 0.000 2.493 53 D HA 0.044 4.684 4.640 0.001 0.000 0.240 53 D C 1.183 177.272 176.300 -0.353 0.000 1.142 53 D CA 0.193 54.065 54.000 -0.214 0.000 0.872 53 D CB 1.150 41.873 40.800 -0.128 0.000 1.173 53 D HN 0.018 nan 8.370 nan 0.000 0.467 54 V N 3.740 123.400 119.914 -0.423 0.000 2.720 54 V HA -0.055 4.066 4.120 0.001 0.000 0.256 54 V C 1.905 177.751 176.094 -0.414 0.000 1.082 54 V CA 1.890 63.848 62.300 -0.569 0.000 1.101 54 V CB -0.481 30.707 31.823 -1.058 0.000 0.693 54 V HN 0.946 nan 8.190 nan 0.000 0.479 55 G N -2.100 106.501 108.800 -0.331 0.000 2.367 55 G HA2 -0.228 3.733 3.960 0.001 0.000 0.181 55 G HA3 -0.228 3.733 3.960 0.001 0.000 0.181 55 G C 0.390 175.076 174.900 -0.356 0.000 1.000 55 G CA 0.071 44.955 45.100 -0.361 0.000 0.693 55 G HN 0.414 nan 8.290 nan 0.000 0.480 56 Y N 1.814 122.196 120.300 0.136 0.000 2.529 56 Y HA 0.334 4.884 4.550 0.001 0.000 0.290 56 Y C 2.483 178.577 175.900 0.324 0.000 1.177 56 Y CA 0.869 59.129 58.100 0.267 0.000 1.305 56 Y CB 0.031 38.701 38.460 0.350 0.000 1.047 56 Y HN 0.276 nan 8.280 nan 0.000 0.522 57 G N 0.385 109.327 108.800 0.237 0.000 2.421 57 G HA2 0.062 4.023 3.960 0.001 0.000 0.217 57 G HA3 0.062 4.023 3.960 0.001 0.000 0.217 57 G C 0.949 175.841 174.900 -0.012 0.000 1.143 57 G CA 0.256 45.384 45.100 0.047 0.000 0.784 57 G HN 0.385 nan 8.290 nan 0.000 0.541 58 A N -1.146 121.719 122.820 0.074 0.000 2.091 58 A HA -0.230 4.091 4.320 0.001 0.000 0.270 58 A C 0.695 178.248 177.584 -0.051 0.000 1.368 58 A CA 1.182 53.221 52.037 0.003 0.000 0.745 58 A CB -2.007 16.903 19.000 -0.150 0.000 1.173 58 A HN 1.047 nan 8.150 nan 0.000 0.322 59 Y N 0.919 121.205 120.300 -0.024 0.000 2.177 59 Y HA 0.334 4.885 4.550 0.001 0.000 0.291 59 Y C 0.803 176.780 175.900 0.128 0.000 1.117 59 Y CA 1.478 59.636 58.100 0.096 0.000 1.114 59 Y CB 0.491 39.028 38.460 0.129 0.000 1.017 59 Y HN 0.587 nan 8.280 nan 0.000 0.505 60 D N -0.088 120.195 120.400 -0.195 0.000 2.476 60 D HA 0.212 4.853 4.640 0.001 0.000 0.251 60 D C 0.268 176.388 176.300 -0.300 0.000 1.291 60 D CA -0.189 53.575 54.000 -0.393 0.000 0.939 60 D CB 0.869 41.491 40.800 -0.296 0.000 1.221 60 D HN 0.311 nan 8.370 nan 0.000 0.567 61 L N 2.647 123.471 121.223 -0.663 0.000 2.362 61 L HA -0.074 4.267 4.340 0.001 0.000 0.219 61 L C 0.930 177.596 176.870 -0.340 0.000 1.134 61 L CA 0.773 55.042 54.840 -0.953 0.000 0.807 61 L CB -0.222 40.650 42.059 -1.979 0.000 0.927 61 L HN 0.491 nan 8.230 nan 0.000 0.447 62 Y N -1.555 118.619 120.300 -0.210 0.000 2.457 62 Y HA 0.088 4.639 4.550 0.001 0.000 0.263 62 Y C 0.657 176.751 175.900 0.323 0.000 1.164 62 Y CA -0.386 57.658 58.100 -0.092 0.000 1.274 62 Y CB 0.230 38.465 38.460 -0.376 0.000 1.097 62 Y HN -0.006 nan 8.280 nan 0.000 0.523 63 D N 0.707 121.378 120.400 0.452 0.000 2.485 63 D HA 0.206 4.847 4.640 0.001 0.000 0.229 63 D C -0.273 176.334 176.300 0.511 0.000 1.101 63 D CA -0.106 54.258 54.000 0.607 0.000 0.906 63 D CB 0.274 41.394 40.800 0.533 0.000 1.019 63 D HN 0.219 nan 8.370 nan 0.000 0.516 64 L N 2.849 124.375 121.223 0.505 0.000 2.939 64 L HA 0.341 4.682 4.340 0.001 0.000 0.239 64 L C 1.316 178.366 176.870 0.301 0.000 1.325 64 L CA -0.201 54.885 54.840 0.409 0.000 1.170 64 L CB -0.169 42.122 42.059 0.387 0.000 1.538 64 L HN 0.646 nan 8.230 nan 0.000 0.452 65 G N 0.528 109.492 108.800 0.274 0.000 2.248 65 G HA2 -0.258 3.703 3.960 0.001 0.000 0.252 65 G HA3 -0.258 3.703 3.960 0.001 0.000 0.252 65 G C 0.408 175.372 174.900 0.107 0.000 1.085 65 G CA 0.439 45.655 45.100 0.194 0.000 0.845 65 G HN 0.579 nan 8.290 nan 0.000 0.494 66 E N -1.514 118.716 120.200 0.052 0.000 2.421 66 E HA 0.380 4.730 4.350 0.001 0.000 0.209 66 E C 0.090 176.433 176.600 -0.428 0.000 0.871 66 E CA -0.210 56.047 56.400 -0.238 0.000 1.064 66 E CB 0.458 29.903 29.700 -0.424 0.000 1.075 66 E HN 0.365 nan 8.360 nan 0.000 0.513 67 F N 0.003 120.080 119.950 0.212 0.000 2.538 67 F HA 0.315 4.843 4.527 0.001 0.000 0.325 67 F C -0.003 175.920 175.800 0.204 0.000 1.066 67 F CA -0.947 57.178 58.000 0.208 0.000 0.946 67 F CB 1.138 40.272 39.000 0.224 0.000 1.199 67 F HN -0.046 nan 8.300 nan 0.000 0.473 68 H N 2.458 121.713 119.070 0.307 0.000 3.067 68 H HA 0.314 4.871 4.556 0.001 0.000 0.265 68 H C -0.962 174.488 175.328 0.203 0.000 1.234 68 H CA 0.082 56.248 56.048 0.196 0.000 1.452 68 H CB -0.015 29.831 29.762 0.140 0.000 1.527 68 H HN 0.538 nan 8.280 nan 0.000 0.486 69 Q N 3.219 123.206 119.800 0.312 0.000 2.379 69 Q HA 0.211 4.552 4.340 0.001 0.000 0.278 69 Q C -0.280 175.771 176.000 0.085 0.000 1.068 69 Q CA -1.388 54.575 55.803 0.267 0.000 0.816 69 Q CB 2.083 31.057 28.738 0.393 0.000 1.387 69 Q HN 0.481 nan 8.270 nan 0.000 0.413 70 K N -0.111 120.266 120.400 -0.038 0.000 3.069 70 K HA -0.213 4.108 4.320 0.001 0.000 0.267 70 K C 0.469 177.026 176.600 -0.072 0.000 1.082 70 K CA 1.164 57.363 56.287 -0.148 0.000 0.782 70 K CB -2.147 30.207 32.500 -0.242 0.000 1.230 70 K HN 1.212 nan 8.250 nan 0.000 0.488 71 G N -1.286 107.520 108.800 0.010 0.000 2.160 71 G HA2 -0.309 3.652 3.960 0.001 0.000 0.251 71 G HA3 -0.309 3.652 3.960 0.001 0.000 0.251 71 G C 0.106 174.917 174.900 -0.148 0.000 1.008 71 G CA 1.301 46.401 45.100 0.001 0.000 0.724 71 G HN 0.987 nan 8.290 nan 0.000 0.514 72 T N -2.993 111.404 114.554 -0.263 0.000 2.830 72 T HA 0.513 4.863 4.350 0.001 0.000 0.322 72 T C 0.861 175.395 174.700 -0.276 0.000 1.501 72 T CA 0.453 62.381 62.100 -0.287 0.000 1.036 72 T CB 1.569 70.349 68.868 -0.148 0.000 1.379 72 T HN 0.514 nan 8.240 nan 0.000 0.493 73 V N 2.184 121.974 119.914 -0.208 0.000 2.521 73 V HA 0.249 4.369 4.120 0.001 0.000 0.239 73 V C 1.413 177.508 176.094 0.002 0.000 1.053 73 V CA 1.049 63.308 62.300 -0.068 0.000 1.073 73 V CB -0.408 31.392 31.823 -0.037 0.000 0.746 73 V HN 0.877 nan 8.190 nan 0.000 0.476 74 R N 1.703 122.192 120.500 -0.018 0.000 2.679 74 R HA 0.312 4.652 4.340 0.001 0.000 0.269 74 R C 0.390 176.681 176.300 -0.015 0.000 1.076 74 R CA 0.322 56.429 56.100 0.012 0.000 1.160 74 R CB 0.171 30.463 30.300 -0.013 0.000 1.054 74 R HN 0.393 nan 8.270 nan 0.000 0.507 75 T N -1.721 112.837 114.554 0.007 0.000 2.833 75 T HA 0.118 4.469 4.350 0.001 0.000 0.292 75 T C 1.078 175.616 174.700 -0.270 0.000 1.031 75 T CA -0.557 61.498 62.100 -0.075 0.000 0.937 75 T CB 0.792 69.678 68.868 0.030 0.000 1.256 75 T HN 0.784 nan 8.240 nan 0.000 0.551 76 K N -0.696 119.388 120.400 -0.527 0.000 2.152 76 K HA -0.157 4.164 4.320 0.001 0.000 0.206 76 K C 1.642 177.741 176.600 -0.834 0.000 1.048 76 K CA 1.498 57.326 56.287 -0.764 0.000 0.933 76 K CB -0.377 31.429 32.500 -1.156 0.000 0.721 76 K HN 0.701 nan 8.250 nan 0.000 0.447 77 Y N -0.574 119.428 120.300 -0.498 0.000 2.475 77 Y HA 0.236 4.787 4.550 0.001 0.000 0.289 77 Y C 1.312 176.698 175.900 -0.855 0.000 1.121 77 Y CA 0.496 58.071 58.100 -0.874 0.000 1.257 77 Y CB 0.483 37.961 38.460 -1.635 0.000 1.026 77 Y HN 0.280 nan 8.280 nan 0.000 0.555 78 G N -0.696 107.931 108.800 -0.289 0.000 2.340 78 G HA2 0.210 4.171 3.960 0.001 0.000 0.282 78 G HA3 0.210 4.171 3.960 0.001 0.000 0.282 78 G C -0.763 174.291 174.900 0.255 0.000 1.312 78 G CA -0.603 44.505 45.100 0.014 0.000 0.942 78 G HN 0.192 nan 8.290 nan 0.000 0.495 79 T N -1.660 113.068 114.554 0.290 0.000 2.927 79 T HA 0.569 4.920 4.350 0.001 0.000 0.281 79 T C 1.386 176.227 174.700 0.236 0.000 0.998 79 T CA 0.499 62.730 62.100 0.218 0.000 1.019 79 T CB 1.994 70.931 68.868 0.116 0.000 1.061 79 T HN 0.850 nan 8.240 nan 0.000 0.518 80 K N 0.704 121.187 120.400 0.139 0.000 2.063 80 K HA -0.091 4.230 4.320 0.001 0.000 0.208 80 K C 2.297 178.891 176.600 -0.010 0.000 1.048 80 K CA 1.785 58.108 56.287 0.059 0.000 0.928 80 K CB -1.079 31.462 32.500 0.067 0.000 0.713 80 K HN 0.811 nan 8.250 nan 0.000 0.442 81 G N 0.672 109.483 108.800 0.019 0.000 2.418 81 G HA2 -0.244 3.717 3.960 0.001 0.000 0.217 81 G HA3 -0.244 3.717 3.960 0.001 0.000 0.217 81 G C 1.100 175.993 174.900 -0.012 0.000 1.158 81 G CA 0.826 45.924 45.100 -0.003 0.000 0.771 81 G HN 0.436 nan 8.290 nan 0.000 0.545 82 E N -0.363 119.867 120.200 0.049 0.000 2.110 82 E HA -0.089 4.262 4.350 0.001 0.000 0.193 82 E C 2.342 178.926 176.600 -0.027 0.000 0.988 82 E CA 0.660 57.111 56.400 0.086 0.000 0.804 82 E CB -0.142 29.700 29.700 0.236 0.000 0.745 82 E HN 0.350 nan 8.360 nan 0.000 0.458 83 L N 1.280 122.348 121.223 -0.258 0.000 2.056 83 L HA -0.192 4.149 4.340 0.001 0.000 0.207 83 L C 2.032 178.639 176.870 -0.439 0.000 1.078 83 L CA 1.782 56.170 54.840 -0.754 0.000 0.749 83 L CB -0.320 41.048 42.059 -1.151 0.000 0.901 83 L HN 0.044 nan 8.230 nan 0.000 0.433 84 Q N -1.106 118.529 119.800 -0.276 0.000 2.124 84 Q HA -0.159 4.182 4.340 0.001 0.000 0.202 84 Q C 2.227 178.126 176.000 -0.168 0.000 0.977 84 Q CA 1.771 57.448 55.803 -0.209 0.000 0.850 84 Q CB -0.100 28.554 28.738 -0.140 0.000 0.901 84 Q HN 0.538 nan 8.270 nan 0.000 0.429 85 S N 0.576 116.201 115.700 -0.124 0.000 2.368 85 S HA -0.145 4.326 4.470 0.001 0.000 0.224 85 S C 2.034 176.565 174.600 -0.115 0.000 1.029 85 S CA 0.959 59.105 58.200 -0.089 0.000 0.988 85 S CB -0.249 62.924 63.200 -0.046 0.000 0.838 85 S HN 0.502 nan 8.310 nan 0.000 0.462 86 A N 1.583 124.320 122.820 -0.139 0.000 1.877 86 A HA -0.066 4.255 4.320 0.001 0.000 0.216 86 A C 2.061 179.505 177.584 -0.233 0.000 1.186 86 A CA 1.310 53.252 52.037 -0.158 0.000 0.620 86 A CB -0.780 18.131 19.000 -0.148 0.000 0.822 86 A HN 0.486 nan 8.150 nan 0.000 0.443 87 I N -0.695 119.689 120.570 -0.310 0.000 2.286 87 I HA -0.254 3.917 4.170 0.001 0.000 0.248 87 I C 2.577 178.450 176.117 -0.407 0.000 1.115 87 I CA 1.538 62.581 61.300 -0.427 0.000 1.392 87 I CB -0.244 37.486 38.000 -0.450 0.000 1.065 87 I HN 0.347 nan 8.210 nan 0.000 0.418 88 K N 0.770 121.034 120.400 -0.227 0.000 2.057 88 K HA -0.149 4.172 4.320 0.001 0.000 0.207 88 K C 2.272 178.819 176.600 -0.088 0.000 1.049 88 K CA 1.726 57.945 56.287 -0.115 0.000 0.931 88 K CB 0.034 32.490 32.500 -0.072 0.000 0.714 88 K HN 0.225 nan 8.250 nan 0.000 0.440 89 S N 1.547 117.184 115.700 -0.105 0.000 2.382 89 S HA -0.107 4.364 4.470 0.001 0.000 0.228 89 S C 1.964 176.519 174.600 -0.075 0.000 1.027 89 S CA 1.020 59.176 58.200 -0.073 0.000 0.991 89 S CB -0.195 62.962 63.200 -0.071 0.000 0.823 89 S HN 0.241 nan 8.310 nan 0.000 0.469 90 L N 0.456 121.597 121.223 -0.137 0.000 2.056 90 L HA -0.106 4.235 4.340 0.001 0.000 0.207 90 L C 2.380 179.230 176.870 -0.034 0.000 1.078 90 L CA 1.410 56.176 54.840 -0.123 0.000 0.749 90 L CB -0.672 41.258 42.059 -0.214 0.000 0.901 90 L HN 0.418 nan 8.230 nan 0.000 0.433 91 H N -0.866 118.156 119.070 -0.081 0.000 2.423 91 H HA -0.132 4.424 4.556 0.001 0.000 0.297 91 H C 2.557 177.850 175.328 -0.058 0.000 1.075 91 H CA 1.091 57.096 56.048 -0.073 0.000 1.342 91 H CB 0.191 29.905 29.762 -0.080 0.000 1.395 91 H HN 0.395 nan 8.280 nan 0.000 0.530 92 S N 1.001 116.741 115.700 0.067 0.000 2.419 92 S HA -0.110 4.361 4.470 0.001 0.000 0.233 92 S C 1.708 176.313 174.600 0.009 0.000 1.016 92 S CA 0.779 58.993 58.200 0.022 0.000 0.974 92 S CB -0.015 63.187 63.200 0.003 0.000 0.786 92 S HN 0.363 nan 8.310 nan 0.000 0.492 93 R N 0.879 121.384 120.500 0.009 0.000 2.466 93 R HA 0.178 4.518 4.340 0.001 0.000 0.279 93 R C -0.549 175.753 176.300 0.003 0.000 0.976 93 R CA 0.352 56.452 56.100 0.000 0.000 1.081 93 R CB -0.069 30.229 30.300 -0.004 0.000 1.215 93 R HN 0.301 nan 8.270 nan 0.000 0.546 94 D N 0.619 121.028 120.400 0.015 0.000 2.945 94 D HA -0.188 4.453 4.640 0.001 0.000 0.225 94 D C -0.327 175.986 176.300 0.022 0.000 1.158 94 D CA 1.091 55.097 54.000 0.010 0.000 0.805 94 D CB -1.224 39.570 40.800 -0.010 0.000 1.098 94 D HN 0.350 nan 8.370 nan 0.000 0.426 95 I N 1.050 121.643 120.570 0.039 0.000 2.353 95 I HA 0.138 4.308 4.170 0.001 0.000 0.293 95 I C 1.026 177.177 176.117 0.057 0.000 0.992 95 I CA -0.388 60.922 61.300 0.016 0.000 1.268 95 I CB 1.063 39.051 38.000 -0.020 0.000 1.387 95 I HN -0.157 nan 8.210 nan 0.000 0.478 96 N N 4.361 123.062 118.700 0.001 0.000 2.513 96 N HA 0.431 5.171 4.740 0.001 0.000 0.274 96 N C -1.136 174.288 175.510 -0.143 0.000 1.189 96 N CA -0.529 52.523 53.050 0.002 0.000 0.975 96 N CB 1.778 40.255 38.487 -0.017 0.000 1.157 96 N HN 0.185 nan 8.380 nan 0.000 0.465 97 V N 2.697 122.576 119.914 -0.058 0.000 2.487 97 V HA 0.306 4.427 4.120 0.001 0.000 0.298 97 V C -1.219 174.926 176.094 0.085 0.000 1.028 97 V CA -0.727 61.511 62.300 -0.104 0.000 0.860 97 V CB 0.778 32.499 31.823 -0.170 0.000 0.991 97 V HN 0.500 nan 8.190 nan 0.000 0.427 98 Y N 2.250 122.619 120.300 0.115 0.000 2.335 98 Y HA 0.739 5.290 4.550 0.001 0.000 0.338 98 Y C 0.779 176.807 175.900 0.213 0.000 0.977 98 Y CA -1.423 56.753 58.100 0.127 0.000 1.114 98 Y CB 1.824 40.433 38.460 0.248 0.000 1.182 98 Y HN 0.713 nan 8.280 nan 0.000 0.463 99 G N 2.042 111.031 108.800 0.314 0.000 2.377 99 G HA2 0.218 4.179 3.960 0.001 0.000 0.299 99 G HA3 0.218 4.179 3.960 0.001 0.000 0.299 99 G C -0.739 174.554 174.900 0.654 0.000 1.150 99 G CA -0.519 44.833 45.100 0.419 0.000 0.847 99 G HN 0.507 nan 8.290 nan 0.000 0.501 100 D N 0.282 121.074 120.400 0.653 0.000 2.345 100 D HA 0.271 4.911 4.640 0.001 0.000 0.247 100 D C -0.360 176.345 176.300 0.674 0.000 1.108 100 D CA 0.110 54.469 54.000 0.599 0.000 0.894 100 D CB 1.737 42.879 40.800 0.570 0.000 1.203 100 D HN -0.008 nan 8.370 nan 0.000 0.430 101 V N 4.210 124.424 119.914 0.499 0.000 2.349 101 V HA 0.179 4.300 4.120 0.001 0.000 0.284 101 V C 0.019 176.214 176.094 0.168 0.000 1.014 101 V CA -0.789 61.731 62.300 0.367 0.000 0.826 101 V CB 1.689 33.568 31.823 0.093 0.000 1.009 101 V HN 0.306 nan 8.190 nan 0.000 0.431 102 V N 7.208 127.193 119.914 0.118 0.000 2.259 102 V HA 0.366 4.487 4.120 0.001 0.000 0.267 102 V C 0.631 176.536 176.094 -0.315 0.000 1.051 102 V CA -0.033 62.258 62.300 -0.015 0.000 0.830 102 V CB 0.785 32.688 31.823 0.134 0.000 1.080 102 V HN 0.876 nan 8.190 nan 0.000 0.467 103 I N 0.390 120.791 120.570 -0.282 0.000 3.947 103 I HA 0.410 4.581 4.170 0.001 0.000 0.327 103 I C 1.362 177.412 176.117 -0.112 0.000 1.519 103 I CA 0.026 61.158 61.300 -0.280 0.000 1.122 103 I CB 0.179 38.040 38.000 -0.231 0.000 1.146 103 I HN 0.439 nan 8.210 nan 0.000 0.442 104 N N 1.770 120.360 118.700 -0.185 0.000 2.250 104 N HA -0.078 4.663 4.740 0.001 0.000 0.181 104 N C 0.629 176.138 175.510 -0.003 0.000 1.017 104 N CA 1.350 54.394 53.050 -0.010 0.000 0.866 104 N CB 0.160 38.671 38.487 0.041 0.000 0.985 104 N HN 0.698 nan 8.380 nan 0.000 0.429 105 H N -2.943 116.129 119.070 0.003 0.000 2.966 105 H HA 0.519 5.076 4.556 0.001 0.000 0.330 105 H C -1.193 174.053 175.328 -0.138 0.000 1.292 105 H CA -1.012 55.037 56.048 0.002 0.000 1.127 105 H CB 0.862 30.663 29.762 0.065 0.000 1.863 105 H HN -0.169 nan 8.280 nan 0.000 0.543 106 K N 0.422 120.831 120.400 0.016 0.000 2.443 106 K HA 0.516 4.837 4.320 0.001 0.000 0.252 106 K C -0.599 175.995 176.600 -0.010 0.000 0.933 106 K CA -0.661 55.494 56.287 -0.220 0.000 0.792 106 K CB 2.938 34.965 32.500 -0.789 0.000 1.185 106 K HN 0.814 nan 8.250 nan 0.000 0.425 107 G N -0.744 107.952 108.800 -0.173 0.000 2.568 107 G HA2 0.543 4.503 3.960 0.001 0.000 0.313 107 G HA3 0.543 4.503 3.960 0.001 0.000 0.313 107 G C 0.289 175.172 174.900 -0.029 0.000 1.227 107 G CA -0.429 44.357 45.100 -0.524 0.000 0.979 107 G HN 0.712 nan 8.290 nan 0.000 0.486 108 G N -1.256 107.439 108.800 -0.175 0.000 2.246 108 G HA2 0.200 4.160 3.960 0.001 0.000 0.273 108 G HA3 0.200 4.160 3.960 0.001 0.000 0.273 108 G C 0.693 175.460 174.900 -0.221 0.000 1.055 108 G CA 0.523 45.508 45.100 -0.191 0.000 0.851 108 G HN 1.947 nan 8.290 nan 0.000 0.500 109 A N -0.358 122.183 122.820 -0.466 0.000 2.555 109 A HA 0.403 4.724 4.320 0.001 0.000 0.233 109 A C 1.450 178.803 177.584 -0.386 0.000 1.060 109 A CA 0.947 52.363 52.037 -1.036 0.000 0.759 109 A CB 0.338 18.898 19.000 -0.734 0.000 0.995 109 A HN 0.350 nan 8.150 nan 0.000 0.506 110 D N 0.518 120.642 120.400 -0.460 0.000 2.144 110 D HA 0.160 4.801 4.640 0.001 0.000 0.200 110 D C 0.837 177.110 176.300 -0.046 0.000 0.978 110 D CA 2.044 55.885 54.000 -0.264 0.000 0.833 110 D CB 0.027 40.495 40.800 -0.553 0.000 0.961 110 D HN 0.760 nan 8.370 nan 0.000 0.470 111 A N -0.282 122.488 122.820 -0.083 0.000 2.593 111 A HA 0.543 4.864 4.320 0.001 0.000 0.290 111 A C -0.256 177.252 177.584 -0.128 0.000 1.126 111 A CA -0.561 51.462 52.037 -0.023 0.000 0.695 111 A CB 1.289 20.279 19.000 -0.016 0.000 1.290 111 A HN 0.038 nan 8.150 nan 0.000 0.414 112 T N -1.222 113.075 114.554 -0.427 0.000 2.927 112 T HA 0.764 5.115 4.350 0.001 0.000 0.281 112 T C -0.343 174.237 174.700 -0.199 0.000 0.998 112 T CA -0.436 61.366 62.100 -0.497 0.000 1.019 112 T CB 1.269 69.648 68.868 -0.816 0.000 1.061 112 T HN 0.624 nan 8.240 nan 0.000 0.518 113 E N 0.233 120.332 120.200 -0.168 0.000 2.367 113 E HA 0.328 4.679 4.350 0.001 0.000 0.273 113 E C -1.372 175.081 176.600 -0.245 0.000 0.903 113 E CA -1.011 55.319 56.400 -0.117 0.000 0.764 113 E CB 1.624 31.343 29.700 0.031 0.000 1.252 113 E HN 0.632 nan 8.360 nan 0.000 0.446 114 D N 1.558 121.804 120.400 -0.257 0.000 2.312 114 D HA 0.304 4.945 4.640 0.001 0.000 0.252 114 D C -0.680 175.303 176.300 -0.528 0.000 1.150 114 D CA 0.047 53.849 54.000 -0.330 0.000 0.870 114 D CB 1.471 42.123 40.800 -0.247 0.000 1.153 114 D HN 0.003 nan 8.370 nan 0.000 0.457 115 V N 1.614 121.156 119.914 -0.622 0.000 2.971 115 V HA 0.341 4.462 4.120 0.001 0.000 0.309 115 V C 0.215 175.921 176.094 -0.647 0.000 1.130 115 V CA -0.895 60.849 62.300 -0.926 0.000 0.964 115 V CB 2.366 33.458 31.823 -1.220 0.000 1.029 115 V HN 0.427 nan 8.190 nan 0.000 0.427 116 T N 3.285 117.479 114.554 -0.601 0.000 2.806 116 T HA 0.789 5.139 4.350 0.001 0.000 0.290 116 T C 0.047 174.579 174.700 -0.280 0.000 0.966 116 T CA 0.142 62.022 62.100 -0.367 0.000 1.060 116 T CB 1.363 70.075 68.868 -0.259 0.000 0.927 116 T HN 1.184 nan 8.240 nan 0.000 0.485 117 A N 2.237 124.913 122.820 -0.239 0.000 2.588 117 A HA 0.884 5.204 4.320 0.001 0.000 0.290 117 A C -0.850 176.712 177.584 -0.036 0.000 1.136 117 A CA -0.831 51.169 52.037 -0.062 0.000 0.681 117 A CB 1.212 20.242 19.000 0.051 0.000 1.282 117 A HN 1.013 nan 8.150 nan 0.000 0.421 118 V N -2.001 117.987 119.914 0.123 0.000 2.914 118 V HA 0.764 4.885 4.120 0.001 0.000 0.314 118 V C -0.606 175.632 176.094 0.240 0.000 1.084 118 V CA -0.792 61.628 62.300 0.200 0.000 0.963 118 V CB 1.620 33.517 31.823 0.122 0.000 1.025 118 V HN 0.904 nan 8.190 nan 0.000 0.432 119 E N 1.479 121.805 120.200 0.211 0.000 2.301 119 E HA 0.589 4.940 4.350 0.001 0.000 0.275 119 E C -0.419 176.202 176.600 0.034 0.000 1.030 119 E CA -0.620 55.790 56.400 0.016 0.000 0.852 119 E CB 2.110 31.778 29.700 -0.054 0.000 1.060 119 E HN 0.895 nan 8.360 nan 0.000 0.401 120 V N -0.830 119.098 119.914 0.022 0.000 2.994 120 V HA 0.379 4.500 4.120 0.001 0.000 0.318 120 V C -0.160 175.942 176.094 0.014 0.000 1.085 120 V CA -1.136 61.215 62.300 0.084 0.000 0.998 120 V CB 1.894 33.866 31.823 0.248 0.000 1.063 120 V HN 0.535 nan 8.190 nan 0.000 0.447 121 D N 2.727 123.144 120.400 0.029 0.000 2.371 121 D HA 0.330 4.971 4.640 0.001 0.000 0.256 121 D C -1.745 174.533 176.300 -0.036 0.000 1.193 121 D CA -1.899 52.098 54.000 -0.005 0.000 0.881 121 D CB 1.882 42.693 40.800 0.018 0.000 1.143 121 D HN 0.384 nan 8.370 nan 0.000 0.473 122 P HA -0.065 nan 4.420 nan 0.000 0.220 122 P C 0.654 177.829 177.300 -0.210 0.000 1.148 122 P CA 1.046 64.035 63.100 -0.185 0.000 0.803 122 P CB 0.232 31.813 31.700 -0.197 0.000 0.782 123 A N -1.458 121.329 122.820 -0.056 0.000 2.072 123 A HA 0.013 4.333 4.320 0.001 0.000 0.216 123 A C 0.805 178.475 177.584 0.145 0.000 1.156 123 A CA 0.885 52.977 52.037 0.091 0.000 0.701 123 A CB -0.353 18.691 19.000 0.073 0.000 0.816 123 A HN 0.090 nan 8.150 nan 0.000 0.458 124 D N -1.644 118.803 120.400 0.078 0.000 2.351 124 D HA 0.330 4.971 4.640 0.001 0.000 0.235 124 D C 0.347 176.700 176.300 0.088 0.000 1.331 124 D CA -0.398 53.656 54.000 0.090 0.000 0.959 124 D CB 0.439 41.281 40.800 0.071 0.000 1.432 124 D HN -0.054 nan 8.370 nan 0.000 0.544 125 R N 1.090 121.640 120.500 0.084 0.000 2.341 125 R HA 0.105 4.446 4.340 0.001 0.000 0.213 125 R C 1.364 177.859 176.300 0.324 0.000 1.082 125 R CA 0.558 56.733 56.100 0.125 0.000 1.017 125 R CB -0.051 30.166 30.300 -0.138 0.000 0.860 125 R HN 0.318 nan 8.270 nan 0.000 0.473 126 N N 0.314 119.155 118.700 0.234 0.000 2.463 126 N HA -0.065 4.676 4.740 0.001 0.000 0.181 126 N C 0.111 175.713 175.510 0.153 0.000 1.078 126 N CA 0.329 53.517 53.050 0.229 0.000 0.902 126 N CB 0.213 38.780 38.487 0.133 0.000 0.970 126 N HN 0.137 nan 8.380 nan 0.000 0.451 127 R N 1.402 121.979 120.500 0.128 0.000 2.207 127 R HA 0.282 4.623 4.340 0.001 0.000 0.334 127 R C -0.918 175.435 176.300 0.089 0.000 1.013 127 R CA -0.244 55.908 56.100 0.086 0.000 0.858 127 R CB 0.755 31.092 30.300 0.061 0.000 1.094 127 R HN -0.262 nan 8.270 nan 0.000 0.457 128 V N 7.463 127.421 119.914 0.073 0.000 2.498 128 V HA 0.136 4.257 4.120 0.001 0.000 0.279 128 V C 1.113 177.234 176.094 0.046 0.000 1.048 128 V CA -0.122 62.218 62.300 0.067 0.000 0.967 128 V CB 1.286 33.144 31.823 0.058 0.000 0.988 128 V HN 0.803 nan 8.190 nan 0.000 0.473 129 I N 2.016 122.610 120.570 0.040 0.000 3.947 129 I HA 0.525 4.696 4.170 0.001 0.000 0.327 129 I C 0.346 176.475 176.117 0.019 0.000 1.519 129 I CA -0.055 61.258 61.300 0.021 0.000 1.122 129 I CB 0.493 38.496 38.000 0.005 0.000 1.146 129 I HN 0.563 nan 8.210 nan 0.000 0.442 130 S N -0.335 115.390 115.700 0.043 0.000 2.625 130 S HA 0.806 5.277 4.470 0.001 0.000 0.271 130 S C -0.130 174.513 174.600 0.073 0.000 1.161 130 S CA -0.196 58.030 58.200 0.044 0.000 0.820 130 S CB 1.179 64.419 63.200 0.066 0.000 1.137 130 S HN 0.281 nan 8.310 nan 0.000 0.470 131 G N -0.106 108.733 108.800 0.064 0.000 2.557 131 G HA2 0.544 4.504 3.960 0.001 0.000 0.292 131 G HA3 0.544 4.504 3.960 0.001 0.000 0.292 131 G C -0.803 174.199 174.900 0.171 0.000 1.237 131 G CA -0.804 44.343 45.100 0.079 0.000 0.978 131 G HN 0.829 nan 8.290 nan 0.000 0.498 132 E N 0.650 120.925 120.200 0.125 0.000 2.338 132 E HA 0.278 4.629 4.350 0.001 0.000 0.272 132 E C -0.306 176.401 176.600 0.179 0.000 1.029 132 E CA 0.008 56.481 56.400 0.122 0.000 0.872 132 E CB 0.711 30.430 29.700 0.033 0.000 1.015 132 E HN 0.664 nan 8.360 nan 0.000 0.417 133 H N 0.870 119.924 119.070 -0.026 0.000 3.008 133 H HA 0.322 4.879 4.556 0.001 0.000 0.354 133 H C -1.154 174.108 175.328 -0.109 0.000 1.252 133 H CA -1.079 54.936 56.048 -0.056 0.000 1.117 133 H CB 0.604 30.345 29.762 -0.034 0.000 1.857 133 H HN 0.337 nan 8.280 nan 0.000 0.547 134 L N 2.643 123.801 121.223 -0.108 0.000 2.290 134 L HA 0.360 4.700 4.340 0.001 0.000 0.284 134 L C 0.225 176.935 176.870 -0.267 0.000 1.078 134 L CA -0.532 54.174 54.840 -0.223 0.000 0.815 134 L CB 0.229 42.192 42.059 -0.160 0.000 1.162 134 L HN 0.628 nan 8.230 nan 0.000 0.435 135 I N 1.317 121.656 120.570 -0.385 0.000 3.108 135 I HA 0.499 4.669 4.170 0.001 0.000 0.312 135 I C -0.920 174.987 176.117 -0.350 0.000 1.095 135 I CA -1.122 59.941 61.300 -0.394 0.000 1.000 135 I CB 2.288 39.916 38.000 -0.619 0.000 1.229 135 I HN 0.421 nan 8.210 nan 0.000 0.454 136 K N 2.765 122.979 120.400 -0.310 0.000 2.367 136 K HA 0.711 5.032 4.320 0.001 0.000 0.263 136 K C -0.930 175.504 176.600 -0.276 0.000 1.000 136 K CA -0.602 55.504 56.287 -0.301 0.000 0.891 136 K CB 1.890 34.217 32.500 -0.288 0.000 1.117 136 K HN 0.801 nan 8.250 nan 0.000 0.443 137 A N 2.873 125.555 122.820 -0.231 0.000 2.324 137 A HA 0.395 4.716 4.320 0.001 0.000 0.330 137 A C -1.234 176.332 177.584 -0.030 0.000 1.165 137 A CA -0.696 51.323 52.037 -0.029 0.000 0.813 137 A CB 0.333 19.392 19.000 0.098 0.000 1.197 137 A HN 0.790 nan 8.150 nan 0.000 0.484 138 W N 2.188 123.567 121.300 0.132 0.000 2.290 138 W HA 0.345 5.006 4.660 0.002 0.000 0.408 138 W C 0.857 177.399 176.519 0.038 0.000 0.966 138 W CA 0.547 57.920 57.345 0.048 0.000 1.579 138 W CB 0.565 30.048 29.460 0.039 0.000 1.662 138 W HN 0.807 nan 8.180 nan 0.000 0.341 139 T N -3.342 111.361 114.554 0.248 0.000 3.058 139 T HA 0.071 4.421 4.350 0.001 0.000 0.278 139 T C 0.053 175.044 174.700 0.485 0.000 0.974 139 T CA -0.167 62.173 62.100 0.400 0.000 0.893 139 T CB -0.358 68.815 68.868 0.510 0.000 1.138 139 T HN 0.348 nan 8.240 nan 0.000 0.529 140 H N 0.216 119.312 119.070 0.044 0.000 2.652 140 H HA 0.486 5.043 4.556 0.001 0.000 0.298 140 H C -1.387 173.709 175.328 -0.388 0.000 1.076 140 H CA -1.136 54.860 56.048 -0.086 0.000 1.360 140 H CB 0.234 29.942 29.762 -0.090 0.000 1.421 140 H HN 0.119 nan 8.280 nan 0.000 0.464 141 F N 5.151 125.000 119.950 -0.169 0.000 2.382 141 F HA 0.158 4.685 4.527 0.001 0.000 0.361 141 F C 0.876 176.152 175.800 -0.873 0.000 1.109 141 F CA -0.570 57.089 58.000 -0.569 0.000 1.031 141 F CB 0.794 39.502 39.000 -0.488 0.000 1.234 141 F HN 0.678 nan 8.300 nan 0.000 0.445 142 H N 1.429 120.135 119.070 -0.608 0.000 2.827 142 H HA 0.199 4.756 4.556 0.001 0.000 0.269 142 H C -0.225 174.928 175.328 -0.293 0.000 1.031 142 H CA -0.527 55.258 56.048 -0.438 0.000 1.202 142 H CB 0.174 29.776 29.762 -0.268 0.000 1.511 142 H HN 0.441 nan 8.280 nan 0.000 0.517 143 F N 1.648 121.760 119.950 0.271 0.000 2.807 143 F HA -0.116 4.411 4.527 0.001 0.000 0.297 143 F C -1.789 174.108 175.800 0.163 0.000 1.024 143 F CA -0.053 58.072 58.000 0.209 0.000 1.008 143 F CB -1.388 37.645 39.000 0.055 0.000 1.142 143 F HN 0.260 nan 8.300 nan 0.000 0.829 144 P HA -0.110 nan 4.420 nan 0.000 0.222 144 P C 1.645 179.025 177.300 0.133 0.000 1.147 144 P CA 2.043 65.238 63.100 0.160 0.000 0.790 144 P CB 0.146 31.931 31.700 0.142 0.000 0.780 145 G N -0.381 108.537 108.800 0.197 0.000 2.662 145 G HA2 -0.092 3.869 3.960 0.001 0.000 0.212 145 G HA3 -0.092 3.869 3.960 0.001 0.000 0.212 145 G C 1.801 176.743 174.900 0.070 0.000 1.141 145 G CA 0.065 45.280 45.100 0.191 0.000 0.797 145 G HN 0.248 nan 8.290 nan 0.000 0.531 146 R N -0.238 120.196 120.500 -0.111 0.000 2.156 146 R HA 0.336 4.677 4.340 0.001 0.000 0.207 146 R C 1.666 177.730 176.300 -0.393 0.000 1.040 146 R CA 1.217 56.907 56.100 -0.684 0.000 1.013 146 R CB -0.146 29.659 30.300 -0.826 0.000 0.931 146 R HN 0.356 nan 8.270 nan 0.000 0.465 147 G N -0.005 108.721 108.800 -0.123 0.000 2.550 147 G HA2 -0.330 3.631 3.960 0.001 0.000 0.277 147 G HA3 -0.330 3.631 3.960 0.001 0.000 0.277 147 G C 0.331 175.173 174.900 -0.096 0.000 1.190 147 G CA 0.199 45.258 45.100 -0.070 0.000 0.971 147 G HN 0.302 nan 8.290 nan 0.000 0.559 148 S N 1.137 116.771 115.700 -0.110 0.000 2.577 148 S HA 0.334 4.805 4.470 0.001 0.000 0.219 148 S C 0.957 175.430 174.600 -0.212 0.000 0.962 148 S CA 0.975 59.102 58.200 -0.122 0.000 0.921 148 S CB -0.053 63.106 63.200 -0.067 0.000 0.789 148 S HN 0.847 nan 8.310 nan 0.000 0.497 149 T N 2.482 116.850 114.554 -0.311 0.000 2.871 149 T HA 0.043 4.393 4.350 0.001 0.000 0.296 149 T C 0.264 174.651 174.700 -0.522 0.000 0.998 149 T CA 0.350 62.178 62.100 -0.455 0.000 1.162 149 T CB -0.036 68.492 68.868 -0.568 0.000 0.947 149 T HN 0.426 nan 8.240 nan 0.000 0.536 150 Y N 0.020 120.237 120.300 -0.138 0.000 3.707 150 Y HA -0.267 4.284 4.550 0.001 0.000 0.395 150 Y C 0.947 176.482 175.900 -0.609 0.000 1.233 150 Y CA 1.176 59.097 58.100 -0.299 0.000 2.151 150 Y CB -1.836 36.360 38.460 -0.441 0.000 0.880 150 Y HN 0.797 nan 8.280 nan 0.000 0.464 151 S N 0.068 115.456 115.700 -0.520 0.000 2.560 151 S HA 0.501 4.972 4.470 0.001 0.000 0.283 151 S C -0.396 174.034 174.600 -0.283 0.000 1.141 151 S CA -0.129 57.751 58.200 -0.535 0.000 0.902 151 S CB 1.157 63.639 63.200 -1.197 0.000 1.104 151 S HN 0.286 nan 8.310 nan 0.000 0.454 152 D N 2.614 122.950 120.400 -0.106 0.000 2.363 152 D HA 0.110 4.751 4.640 0.001 0.000 0.214 152 D C 0.264 176.602 176.300 0.062 0.000 1.093 152 D CA -0.272 53.718 54.000 -0.017 0.000 0.837 152 D CB -0.279 40.514 40.800 -0.011 0.000 0.948 152 D HN 0.363 nan 8.370 nan 0.000 0.507 153 F N 2.510 122.400 119.950 -0.100 0.000 2.543 153 F HA 0.186 4.714 4.527 0.001 0.000 0.375 153 F C 0.329 176.120 175.800 -0.015 0.000 1.075 153 F CA -0.048 57.873 58.000 -0.132 0.000 1.225 153 F CB 0.494 39.348 39.000 -0.244 0.000 1.099 153 F HN -0.344 nan 8.300 nan 0.000 0.561 154 K N 5.752 125.960 120.400 -0.319 0.000 2.259 154 K HA 0.249 4.570 4.320 0.001 0.000 0.249 154 K C -1.491 174.841 176.600 -0.447 0.000 0.942 154 K CA -0.574 55.665 56.287 -0.081 0.000 0.816 154 K CB 1.552 34.063 32.500 0.018 0.000 1.155 154 K HN 0.585 nan 8.250 nan 0.000 0.428 155 W N 1.820 123.020 121.300 -0.167 0.000 2.469 155 W HA 0.338 4.999 4.660 0.002 0.000 0.320 155 W C 0.750 177.110 176.519 -0.265 0.000 1.086 155 W CA -0.174 57.115 57.345 -0.093 0.000 1.211 155 W CB 0.821 30.301 29.460 0.032 0.000 1.298 155 W HN 0.383 nan 8.180 nan 0.000 0.525 156 H N 1.912 121.075 119.070 0.155 0.000 2.907 156 H HA 0.069 4.626 4.556 0.001 0.000 0.361 156 H C 1.113 176.294 175.328 -0.247 0.000 1.194 156 H CA -0.822 55.033 56.048 -0.322 0.000 1.152 156 H CB 1.051 30.109 29.762 -1.175 0.000 1.867 156 H HN 0.769 nan 8.280 nan 0.000 0.561 157 W N 1.782 123.109 121.300 0.045 0.000 2.341 157 W HA -0.209 4.452 4.660 0.001 0.000 0.283 157 W C 0.653 177.311 176.519 0.232 0.000 1.215 157 W CA 1.008 58.493 57.345 0.233 0.000 1.211 157 W CB -1.113 28.220 29.460 -0.213 0.000 1.131 157 W HN 0.589 nan 8.180 nan 0.000 0.552 158 Y N -0.250 119.379 120.300 -1.118 0.000 2.578 158 Y HA 0.207 4.758 4.550 0.001 0.000 0.297 158 Y C 1.420 176.997 175.900 -0.537 0.000 1.176 158 Y CA 0.783 58.233 58.100 -1.082 0.000 1.315 158 Y CB -1.763 35.778 38.460 -1.530 0.000 1.031 158 Y HN 0.077 nan 8.280 nan 0.000 0.524 159 H N -1.021 117.785 119.070 -0.439 0.000 2.551 159 H HA 0.281 4.838 4.556 0.001 0.000 0.271 159 H C -0.800 174.243 175.328 -0.474 0.000 0.984 159 H CA -0.334 55.375 56.048 -0.566 0.000 1.164 159 H CB 0.211 29.508 29.762 -0.776 0.000 1.437 159 H HN 0.194 nan 8.280 nan 0.000 0.550 160 F N -0.782 119.369 119.950 0.335 0.000 2.611 160 F HA 0.227 4.755 4.527 0.001 0.000 0.324 160 F C 0.680 176.668 175.800 0.313 0.000 1.061 160 F CA -1.136 57.074 58.000 0.349 0.000 0.954 160 F CB 1.469 40.750 39.000 0.469 0.000 1.301 160 F HN -0.137 nan 8.300 nan 0.000 0.482 161 D N -0.027 120.598 120.400 0.375 0.000 2.338 161 D HA 0.316 4.957 4.640 0.001 0.000 0.208 161 D C 0.780 176.861 176.300 -0.365 0.000 0.997 161 D CA 0.850 54.905 54.000 0.092 0.000 0.880 161 D CB 0.852 41.770 40.800 0.197 0.000 0.980 161 D HN 0.680 nan 8.370 nan 0.000 0.509 162 G N -1.413 107.169 108.800 -0.364 0.000 2.428 162 G HA2 0.433 4.394 3.960 0.001 0.000 0.304 162 G HA3 0.433 4.394 3.960 0.001 0.000 0.304 162 G C -1.336 173.416 174.900 -0.247 0.000 1.303 162 G CA -0.150 44.511 45.100 -0.731 0.000 0.825 162 G HN -0.019 nan 8.290 nan 0.000 0.484 163 T N -1.477 113.000 114.554 -0.129 0.000 2.739 163 T HA 0.502 4.853 4.350 0.001 0.000 0.303 163 T C -1.223 173.519 174.700 0.070 0.000 1.389 163 T CA 0.484 62.683 62.100 0.165 0.000 1.001 163 T CB 1.844 70.931 68.868 0.365 0.000 1.436 163 T HN 0.822 nan 8.240 nan 0.000 0.500 164 D N 0.186 120.755 120.400 0.283 0.000 2.501 164 D HA 0.179 4.820 4.640 0.001 0.000 0.224 164 D C -0.147 176.468 176.300 0.524 0.000 1.202 164 D CA -0.296 53.862 54.000 0.263 0.000 0.829 164 D CB 0.197 41.155 40.800 0.264 0.000 1.023 164 D HN 0.409 nan 8.370 nan 0.000 0.499 165 W N 1.459 122.958 121.300 0.333 0.000 3.259 165 W HA 0.318 4.978 4.660 0.001 0.000 0.331 165 W C -1.989 174.662 176.519 0.221 0.000 1.144 165 W CA -0.694 56.833 57.345 0.303 0.000 1.227 165 W CB 2.144 31.766 29.460 0.268 0.000 1.371 165 W HN -0.225 nan 8.180 nan 0.000 0.491 166 D N 3.696 123.903 120.400 -0.322 0.000 2.441 166 D HA 0.100 4.741 4.640 0.001 0.000 0.231 166 D C 0.781 176.760 176.300 -0.536 0.000 1.073 166 D CA 0.039 53.789 54.000 -0.416 0.000 0.850 166 D CB 1.545 42.079 40.800 -0.443 0.000 1.062 166 D HN 0.400 nan 8.370 nan 0.000 0.524 167 E N 2.168 122.239 120.200 -0.215 0.000 2.110 167 E HA -0.192 4.159 4.350 0.001 0.000 0.193 167 E C 1.658 178.200 176.600 -0.097 0.000 0.988 167 E CA 1.725 58.121 56.400 -0.007 0.000 0.804 167 E CB -0.061 29.632 29.700 -0.013 0.000 0.745 167 E HN 0.440 nan 8.360 nan 0.000 0.458 168 S N -0.513 115.087 115.700 -0.167 0.000 2.399 168 S HA -0.113 4.358 4.470 0.001 0.000 0.231 168 S C 1.891 176.419 174.600 -0.120 0.000 1.022 168 S CA 0.999 59.120 58.200 -0.130 0.000 0.983 168 S CB -0.136 62.979 63.200 -0.142 0.000 0.803 168 S HN 0.248 nan 8.310 nan 0.000 0.480 169 R N 0.121 120.515 120.500 -0.177 0.000 2.437 169 R HA 0.292 4.633 4.340 0.001 0.000 0.257 169 R C -0.314 175.852 176.300 -0.224 0.000 0.927 169 R CA -0.198 55.808 56.100 -0.156 0.000 1.078 169 R CB 0.316 30.543 30.300 -0.122 0.000 1.161 169 R HN 0.114 nan 8.270 nan 0.000 0.529 170 K N 1.014 121.194 120.400 -0.366 0.000 3.148 170 K HA -0.190 4.130 4.320 0.001 0.000 0.267 170 K C -0.903 175.201 176.600 -0.827 0.000 0.996 170 K CA 0.792 56.761 56.287 -0.530 0.000 0.737 170 K CB -1.522 30.966 32.500 -0.021 0.000 1.308 170 K HN 0.302 nan 8.250 nan 0.000 0.470 171 L N 0.673 121.326 121.223 -0.950 0.000 2.329 171 L HA 0.319 4.660 4.340 0.001 0.000 0.279 171 L C 0.673 177.287 176.870 -0.427 0.000 1.014 171 L CA -0.489 54.052 54.840 -0.498 0.000 0.814 171 L CB 1.701 43.670 42.059 -0.150 0.000 1.257 171 L HN 0.156 nan 8.230 nan 0.000 0.424 172 N N 4.318 122.999 118.700 -0.032 0.000 2.546 172 N HA 0.386 5.127 4.740 0.001 0.000 0.238 172 N C -1.069 174.487 175.510 0.076 0.000 0.984 172 N CA -0.553 52.656 53.050 0.265 0.000 0.935 172 N CB 0.664 39.416 38.487 0.441 0.000 1.122 172 N HN 0.591 nan 8.380 nan 0.000 0.510 173 R N 2.520 122.999 120.500 -0.034 0.000 2.831 173 R HA 0.485 4.826 4.340 0.001 0.000 0.266 173 R C -0.562 175.483 176.300 -0.425 0.000 1.051 173 R CA -0.767 55.145 56.100 -0.314 0.000 0.943 173 R CB 1.227 31.163 30.300 -0.606 0.000 1.228 173 R HN 0.413 nan 8.270 nan 0.000 0.467 174 I N 2.118 122.425 120.570 -0.437 0.000 2.304 174 I HA 0.277 4.448 4.170 0.001 0.000 0.291 174 I C -0.772 175.112 176.117 -0.389 0.000 1.018 174 I CA -0.418 60.641 61.300 -0.401 0.000 1.260 174 I CB 0.377 38.203 38.000 -0.291 0.000 1.390 174 I HN 0.265 nan 8.210 nan 0.000 0.475 175 Y N 5.690 125.932 120.300 -0.096 0.000 2.352 175 Y HA 0.424 4.975 4.550 0.001 0.000 0.339 175 Y C 0.202 176.066 175.900 -0.061 0.000 0.992 175 Y CA -0.719 57.373 58.100 -0.013 0.000 1.100 175 Y CB 1.473 39.954 38.460 0.034 0.000 1.192 175 Y HN 0.392 nan 8.280 nan 0.000 0.458 176 K N 3.456 123.915 120.400 0.099 0.000 2.206 176 K HA 0.409 4.730 4.320 0.001 0.000 0.264 176 K C -1.311 175.304 176.600 0.024 0.000 0.967 176 K CA -0.661 55.506 56.287 -0.201 0.000 0.844 176 K CB 0.700 32.976 32.500 -0.373 0.000 1.099 176 K HN 0.429 nan 8.250 nan 0.000 0.441 177 F N 2.097 122.045 119.950 -0.004 0.000 2.459 177 F HA 0.079 4.607 4.527 0.001 0.000 0.346 177 F C 1.227 177.048 175.800 0.036 0.000 1.128 177 F CA -0.632 57.399 58.000 0.052 0.000 1.268 177 F CB 0.275 39.443 39.000 0.280 0.000 1.161 177 F HN 0.489 nan 8.300 nan 0.000 0.583 178 Q N 1.221 121.141 119.800 0.200 0.000 2.283 178 Q HA 0.257 4.597 4.340 0.001 0.000 0.301 178 Q C 1.068 177.190 176.000 0.203 0.000 1.063 178 Q CA 1.035 56.907 55.803 0.115 0.000 0.952 178 Q CB 0.222 28.964 28.738 0.007 0.000 1.166 178 Q HN 1.016 nan 8.270 nan 0.000 0.381 179 G N 2.935 111.807 108.800 0.121 0.000 2.184 179 G HA2 -0.222 3.739 3.960 0.001 0.000 0.264 179 G HA3 -0.222 3.739 3.960 0.001 0.000 0.264 179 G C -0.268 174.695 174.900 0.105 0.000 0.975 179 G CA 0.404 45.573 45.100 0.114 0.000 0.642 179 G HN 0.541 nan 8.290 nan 0.000 0.536 180 K N 0.192 120.647 120.400 0.091 0.000 2.123 180 K HA 0.889 5.209 4.320 0.001 0.000 0.248 180 K C 0.081 176.611 176.600 -0.117 0.000 0.969 180 K CA 0.073 56.377 56.287 0.028 0.000 0.882 180 K CB 1.927 34.458 32.500 0.051 0.000 1.080 180 K HN 0.913 nan 8.250 nan 0.000 0.441 181 A N 1.147 123.901 122.820 -0.110 0.000 2.422 181 A HA 0.530 4.851 4.320 0.001 0.000 0.302 181 A C -1.472 176.086 177.584 -0.043 0.000 1.041 181 A CA -0.868 51.083 52.037 -0.143 0.000 0.708 181 A CB 0.486 19.487 19.000 0.002 0.000 1.257 181 A HN 0.664 nan 8.150 nan 0.000 0.414 182 W N 1.828 123.228 121.300 0.167 0.000 2.231 182 W HA 0.186 4.847 4.660 0.002 0.000 0.341 182 W C -0.052 176.611 176.519 0.239 0.000 1.298 182 W CA -0.037 57.434 57.345 0.210 0.000 1.266 182 W CB 0.474 30.069 29.460 0.226 0.000 1.172 182 W HN 0.583 nan 8.180 nan 0.000 0.568 183 D N 1.239 121.956 120.400 0.529 0.000 2.368 183 D HA 0.069 4.710 4.640 0.001 0.000 0.240 183 D C -0.545 176.028 176.300 0.454 0.000 1.169 183 D CA 0.263 54.505 54.000 0.404 0.000 0.906 183 D CB 0.665 41.670 40.800 0.343 0.000 1.187 183 D HN 0.382 nan 8.370 nan 0.000 0.435 184 W N 0.970 122.338 121.300 0.113 0.000 3.425 184 W HA 0.185 4.845 4.660 0.001 0.000 0.318 184 W C -1.110 175.406 176.519 -0.004 0.000 1.201 184 W CA -0.577 56.786 57.345 0.031 0.000 1.212 184 W CB 1.549 31.047 29.460 0.063 0.000 1.355 184 W HN 0.340 nan 8.180 nan 0.000 0.515 185 E N 3.550 123.311 120.200 -0.732 0.000 2.216 185 E HA 0.506 4.857 4.350 0.001 0.000 0.279 185 E C -0.802 174.831 176.600 -1.612 0.000 0.997 185 E CA -0.339 54.968 56.400 -1.821 0.000 0.817 185 E CB 1.787 30.568 29.700 -1.532 0.000 1.096 185 E HN 0.325 nan 8.360 nan 0.000 0.393 186 V N 0.479 119.529 119.914 -1.440 0.000 3.156 186 V HA 0.535 4.656 4.120 0.001 0.000 0.310 186 V C 0.000 175.815 176.094 -0.465 0.000 1.234 186 V CA -1.062 60.718 62.300 -0.868 0.000 1.065 186 V CB 1.156 32.861 31.823 -0.196 0.000 1.088 186 V HN 0.682 nan 8.190 nan 0.000 0.451 187 S N 1.516 117.205 115.700 -0.018 0.000 2.558 187 S HA 0.068 4.539 4.470 0.001 0.000 0.288 187 S C 0.890 175.643 174.600 0.254 0.000 1.318 187 S CA 0.496 58.812 58.200 0.193 0.000 1.056 187 S CB -0.148 63.145 63.200 0.156 0.000 0.853 187 S HN 1.269 nan 8.310 nan 0.000 0.505 188 N N 2.826 121.696 118.700 0.284 0.000 2.314 188 N HA 0.080 4.820 4.740 0.001 0.000 0.200 188 N C -0.359 175.236 175.510 0.141 0.000 1.135 188 N CA -0.197 53.039 53.050 0.311 0.000 0.835 188 N CB -0.256 38.448 38.487 0.362 0.000 0.989 188 N HN 0.662 nan 8.380 nan 0.000 0.478 189 E N 0.055 120.303 120.200 0.080 0.000 2.392 189 E HA 0.068 4.419 4.350 0.001 0.000 0.264 189 E C -0.501 175.924 176.600 -0.292 0.000 1.024 189 E CA -0.223 56.032 56.400 -0.241 0.000 0.903 189 E CB 0.098 29.592 29.700 -0.343 0.000 0.963 189 E HN 0.161 nan 8.360 nan 0.000 0.432 190 F N 1.630 121.490 119.950 -0.151 0.000 3.074 190 F HA -0.281 4.246 4.527 0.001 0.000 0.289 190 F C 1.297 177.052 175.800 -0.075 0.000 0.863 190 F CA 0.967 58.864 58.000 -0.172 0.000 1.121 190 F CB -2.169 36.623 39.000 -0.346 0.000 1.169 190 F HN 0.841 nan 8.300 nan 0.000 0.570 191 G N -0.640 108.212 108.800 0.087 0.000 3.444 191 G HA2 -0.374 3.587 3.960 0.001 0.000 0.222 191 G HA3 -0.374 3.587 3.960 0.001 0.000 0.222 191 G C 0.129 175.128 174.900 0.165 0.000 1.358 191 G CA 0.472 45.634 45.100 0.103 0.000 0.880 191 G HN 0.974 nan 8.290 nan 0.000 0.555 192 N N -1.002 117.810 118.700 0.186 0.000 2.503 192 N HA 0.343 5.084 4.740 0.001 0.000 0.287 192 N C -1.237 174.406 175.510 0.222 0.000 1.096 192 N CA -0.499 52.713 53.050 0.271 0.000 0.936 192 N CB 1.031 39.680 38.487 0.271 0.000 1.570 192 N HN 0.117 nan 8.380 nan 0.000 0.504 193 Y N 2.508 122.903 120.300 0.157 0.000 2.746 193 Y HA 0.188 4.739 4.550 0.001 0.000 0.312 193 Y C 1.363 177.367 175.900 0.173 0.000 1.117 193 Y CA -0.685 57.521 58.100 0.177 0.000 1.324 193 Y CB -0.213 38.374 38.460 0.213 0.000 1.173 193 Y HN 0.627 nan 8.280 nan 0.000 0.529 194 D N -0.147 120.384 120.400 0.218 0.000 2.104 194 D HA -0.238 4.403 4.640 0.001 0.000 0.194 194 D C 0.110 176.448 176.300 0.062 0.000 0.994 194 D CA 1.116 55.224 54.000 0.179 0.000 0.830 194 D CB -0.222 40.747 40.800 0.283 0.000 0.959 194 D HN 0.243 nan 8.370 nan 0.000 0.452 195 Y N 0.416 120.568 120.300 -0.247 0.000 2.393 195 Y HA 0.297 4.848 4.550 0.001 0.000 0.338 195 Y C 0.619 176.450 175.900 -0.115 0.000 1.029 195 Y CA -0.307 57.636 58.100 -0.262 0.000 1.239 195 Y CB 0.910 38.984 38.460 -0.643 0.000 1.170 195 Y HN -0.030 nan 8.280 nan 0.000 0.515 196 L N 5.939 126.492 121.223 -1.116 0.000 2.738 196 L HA 0.469 4.810 4.340 0.001 0.000 0.175 196 L C -0.406 175.962 176.870 -0.837 0.000 1.125 196 L CA 0.718 55.053 54.840 -0.841 0.000 0.857 196 L CB 0.295 41.768 42.059 -0.976 0.000 1.300 196 L HN 0.691 nan 8.230 nan 0.000 0.499 197 M N -4.154 114.895 119.600 -0.918 0.000 2.833 197 M HA 0.373 4.853 4.480 0.001 0.000 0.270 197 M C -0.630 175.458 176.300 -0.353 0.000 1.209 197 M CA -0.782 54.157 55.300 -0.601 0.000 0.826 197 M CB 1.510 33.690 32.600 -0.699 0.000 1.657 197 M HN 0.140 nan 8.290 nan 0.000 0.492 198 Y N -0.579 119.679 120.300 -0.071 0.000 2.896 198 Y HA -0.175 4.376 4.550 0.001 0.000 0.464 198 Y C 0.474 176.464 175.900 0.151 0.000 1.198 198 Y CA 1.029 59.141 58.100 0.020 0.000 2.486 198 Y CB -1.833 36.585 38.460 -0.069 0.000 1.234 198 Y HN 1.114 nan 8.280 nan 0.000 0.634 199 A N 1.131 124.107 122.820 0.260 0.000 2.252 199 A HA 0.485 4.806 4.320 0.001 0.000 0.309 199 A C -0.775 176.888 177.584 0.131 0.000 1.285 199 A CA 0.078 52.095 52.037 -0.033 0.000 0.900 199 A CB 0.290 18.802 19.000 -0.815 0.000 1.157 199 A HN 0.452 nan 8.150 nan 0.000 0.536 200 D N 2.757 123.378 120.400 0.369 0.000 2.317 200 D HA 0.331 4.972 4.640 0.001 0.000 0.252 200 D C 0.076 176.717 176.300 0.569 0.000 1.174 200 D CA -0.006 54.258 54.000 0.439 0.000 0.866 200 D CB 0.300 41.418 40.800 0.530 0.000 1.127 200 D HN 0.476 nan 8.370 nan 0.000 0.467 201 I N 2.935 123.745 120.570 0.399 0.000 2.618 201 I HA -0.014 4.157 4.170 0.001 0.000 0.284 201 I C 0.505 176.603 176.117 -0.032 0.000 1.146 201 I CA 0.126 61.506 61.300 0.132 0.000 1.425 201 I CB 0.540 38.406 38.000 -0.223 0.000 1.383 201 I HN 0.423 nan 8.210 nan 0.000 0.562 202 D N 6.475 126.838 120.400 -0.062 0.000 2.422 202 D HA 0.055 4.696 4.640 0.001 0.000 0.227 202 D C 0.264 176.460 176.300 -0.174 0.000 1.190 202 D CA -0.085 53.923 54.000 0.013 0.000 0.905 202 D CB 0.313 41.192 40.800 0.132 0.000 1.034 202 D HN 0.281 nan 8.370 nan 0.000 0.507 203 Y N 1.469 121.803 120.300 0.057 0.000 2.553 203 Y HA 0.038 4.588 4.550 0.001 0.000 0.303 203 Y C 1.433 177.351 175.900 0.029 0.000 1.194 203 Y CA 0.145 58.199 58.100 -0.076 0.000 1.305 203 Y CB 0.311 38.641 38.460 -0.216 0.000 1.045 203 Y HN 0.401 nan 8.280 nan 0.000 0.514 204 D N -1.817 118.685 120.400 0.170 0.000 2.333 204 D HA -0.098 4.543 4.640 0.001 0.000 0.208 204 D C 0.572 176.940 176.300 0.114 0.000 0.984 204 D CA 0.572 54.662 54.000 0.151 0.000 0.873 204 D CB -0.109 40.774 40.800 0.138 0.000 0.935 204 D HN 0.252 nan 8.370 nan 0.000 0.521 205 H N 2.509 121.601 119.070 0.036 0.000 2.878 205 H HA 0.040 4.597 4.556 0.001 0.000 0.290 205 H C -1.421 173.929 175.328 0.036 0.000 1.065 205 H CA -1.358 54.708 56.048 0.031 0.000 1.477 205 H CB 1.732 31.511 29.762 0.028 0.000 1.484 205 H HN -0.083 nan 8.280 nan 0.000 0.504 206 P HA -0.145 nan 4.420 nan 0.000 0.216 206 P C 0.796 178.226 177.300 0.218 0.000 1.150 206 P CA 0.945 64.117 63.100 0.119 0.000 0.837 206 P CB 0.638 32.354 31.700 0.026 0.000 0.786 207 D N -0.300 120.351 120.400 0.419 0.000 2.144 207 D HA -0.086 4.555 4.640 0.001 0.000 0.200 207 D C 2.158 178.508 176.300 0.083 0.000 0.978 207 D CA 0.806 54.986 54.000 0.301 0.000 0.833 207 D CB -0.750 40.291 40.800 0.402 0.000 0.961 207 D HN 0.021 nan 8.370 nan 0.000 0.470 208 V N 1.545 121.471 119.914 0.020 0.000 2.295 208 V HA -0.224 3.896 4.120 0.001 0.000 0.246 208 V C 2.576 178.597 176.094 -0.121 0.000 1.049 208 V CA 1.795 63.924 62.300 -0.285 0.000 1.024 208 V CB -0.847 30.787 31.823 -0.316 0.000 0.648 208 V HN 0.173 nan 8.190 nan 0.000 0.447 209 A N 0.112 122.957 122.820 0.041 0.000 1.883 209 A HA -0.179 4.142 4.320 0.001 0.000 0.217 209 A C 2.433 180.180 177.584 0.272 0.000 1.186 209 A CA 2.352 54.519 52.037 0.217 0.000 0.624 209 A CB -0.894 18.288 19.000 0.304 0.000 0.822 209 A HN 0.589 nan 8.150 nan 0.000 0.444 210 A N -0.345 122.559 122.820 0.139 0.000 1.902 210 A HA -0.159 4.162 4.320 0.001 0.000 0.217 210 A C 1.993 179.593 177.584 0.028 0.000 1.181 210 A CA 2.229 54.314 52.037 0.081 0.000 0.623 210 A CB -0.479 18.566 19.000 0.075 0.000 0.818 210 A HN 0.574 nan 8.150 nan 0.000 0.443 211 E N 0.170 120.311 120.200 -0.099 0.000 2.072 211 E HA -0.134 4.217 4.350 0.001 0.000 0.191 211 E C 1.672 178.285 176.600 0.023 0.000 0.985 211 E CA 1.227 57.489 56.400 -0.231 0.000 0.801 211 E CB -0.277 28.836 29.700 -0.978 0.000 0.750 211 E HN 0.440 nan 8.360 nan 0.000 0.452 212 I N 0.866 121.525 120.570 0.148 0.000 2.394 212 I HA -0.175 3.996 4.170 0.001 0.000 0.251 212 I C 2.039 178.558 176.117 0.670 0.000 1.136 212 I CA 1.202 62.762 61.300 0.433 0.000 1.425 212 I CB -0.777 37.517 38.000 0.491 0.000 1.079 212 I HN 0.175 nan 8.210 nan 0.000 0.425 213 K N 0.136 120.796 120.400 0.433 0.000 2.025 213 K HA -0.146 4.175 4.320 0.001 0.000 0.207 213 K C 2.299 178.898 176.600 -0.001 0.000 1.049 213 K CA 0.837 57.132 56.287 0.014 0.000 0.933 213 K CB -0.129 32.066 32.500 -0.508 0.000 0.714 213 K HN 0.109 nan 8.250 nan 0.000 0.438 214 R N 0.368 120.931 120.500 0.103 0.000 2.081 214 R HA -0.189 4.152 4.340 0.001 0.000 0.235 214 R C 2.055 178.527 176.300 0.286 0.000 1.131 214 R CA 1.793 58.012 56.100 0.198 0.000 0.960 214 R CB -0.428 29.979 30.300 0.178 0.000 0.856 214 R HN 0.393 nan 8.270 nan 0.000 0.436 215 W N 1.043 122.448 121.300 0.175 0.000 2.363 215 W HA -0.049 4.612 4.660 0.001 0.000 0.296 215 W C 1.880 178.555 176.519 0.260 0.000 1.212 215 W CA 1.809 59.225 57.345 0.118 0.000 1.260 215 W CB -0.796 28.566 29.460 -0.165 0.000 1.131 215 W HN 0.170 nan 8.180 nan 0.000 0.530 216 G N -0.112 108.708 108.800 0.034 0.000 2.440 216 G HA2 -0.307 3.653 3.960 0.001 0.000 0.218 216 G HA3 -0.307 3.653 3.960 0.001 0.000 0.218 216 G C 1.406 176.165 174.900 -0.235 0.000 1.154 216 G CA 1.858 46.820 45.100 -0.230 0.000 0.767 216 G HN 0.329 nan 8.290 nan 0.000 0.552 217 T N -0.383 114.118 114.554 -0.088 0.000 2.777 217 T HA -0.153 4.198 4.350 0.001 0.000 0.266 217 T C 1.849 176.549 174.700 -0.001 0.000 1.040 217 T CA 1.219 63.302 62.100 -0.027 0.000 1.141 217 T CB -0.311 68.586 68.868 0.049 0.000 0.868 217 T HN 0.537 nan 8.240 nan 0.000 0.444 218 W N 1.054 122.291 121.300 -0.104 0.000 2.335 218 W HA -0.235 4.426 4.660 0.001 0.000 0.311 218 W C 2.121 178.574 176.519 -0.110 0.000 1.213 218 W CA 0.987 58.296 57.345 -0.060 0.000 1.274 218 W CB -0.601 28.898 29.460 0.064 0.000 1.148 218 W HN 0.252 nan 8.180 nan 0.000 0.498 219 Y N 1.258 121.332 120.300 -0.377 0.000 2.145 219 Y HA -0.182 4.368 4.550 0.001 0.000 0.286 219 Y C 2.334 178.024 175.900 -0.350 0.000 1.145 219 Y CA 2.556 60.358 58.100 -0.496 0.000 1.148 219 Y CB -1.262 36.752 38.460 -0.743 0.000 0.981 219 Y HN 0.014 nan 8.280 nan 0.000 0.507 220 A N 0.258 122.955 122.820 -0.205 0.000 1.902 220 A HA -0.251 4.070 4.320 0.001 0.000 0.217 220 A C 2.068 179.478 177.584 -0.291 0.000 1.181 220 A CA 2.129 54.023 52.037 -0.237 0.000 0.623 220 A CB -1.029 17.934 19.000 -0.061 0.000 0.818 220 A HN 0.699 nan 8.150 nan 0.000 0.443 221 N N -1.067 117.460 118.700 -0.287 0.000 2.216 221 N HA -0.106 4.635 4.740 0.001 0.000 0.183 221 N C 1.788 177.076 175.510 -0.370 0.000 1.017 221 N CA 1.111 53.993 53.050 -0.280 0.000 0.861 221 N CB -0.111 38.244 38.487 -0.220 0.000 0.986 221 N HN 0.550 nan 8.380 nan 0.000 0.428 222 E N 0.947 120.785 120.200 -0.602 0.000 2.110 222 E HA -0.040 4.311 4.350 0.001 0.000 0.193 222 E C 1.253 177.600 176.600 -0.422 0.000 0.988 222 E CA 1.016 57.020 56.400 -0.659 0.000 0.804 222 E CB 0.077 29.022 29.700 -1.258 0.000 0.745 222 E HN 0.345 nan 8.360 nan 0.000 0.458 223 L N -0.614 120.368 121.223 -0.402 0.000 2.664 223 L HA 0.242 4.582 4.340 0.001 0.000 0.233 223 L C 0.183 176.903 176.870 -0.250 0.000 1.113 223 L CA 0.011 54.659 54.840 -0.319 0.000 0.896 223 L CB 0.151 41.992 42.059 -0.362 0.000 1.163 223 L HN 0.051 nan 8.230 nan 0.000 0.497 224 Q N 1.121 120.782 119.800 -0.231 0.000 2.463 224 Q HA -0.169 4.172 4.340 0.001 0.000 0.299 224 Q C -0.429 175.521 176.000 -0.083 0.000 1.353 224 Q CA 0.210 55.934 55.803 -0.131 0.000 0.828 224 Q CB -1.431 27.285 28.738 -0.036 0.000 1.157 224 Q HN 0.441 nan 8.270 nan 0.000 0.436 225 L N -0.125 120.966 121.223 -0.220 0.000 2.452 225 L HA 0.088 4.429 4.340 0.001 0.000 0.267 225 L C 1.301 178.061 176.870 -0.182 0.000 1.188 225 L CA 0.091 54.791 54.840 -0.233 0.000 0.821 225 L CB 0.337 42.130 42.059 -0.443 0.000 1.102 225 L HN 0.202 nan 8.230 nan 0.000 0.470 226 D N 0.683 121.048 120.400 -0.060 0.000 2.407 226 D HA 0.243 4.884 4.640 0.001 0.000 0.208 226 D C 0.587 176.892 176.300 0.008 0.000 1.083 226 D CA 0.385 54.395 54.000 0.016 0.000 0.844 226 D CB 1.510 42.406 40.800 0.160 0.000 0.967 226 D HN 0.725 nan 8.370 nan 0.000 0.506 227 G N -0.034 108.660 108.800 -0.177 0.000 2.340 227 G HA2 0.436 4.397 3.960 0.001 0.000 0.299 227 G HA3 0.436 4.397 3.960 0.001 0.000 0.299 227 G C -1.973 172.531 174.900 -0.660 0.000 1.291 227 G CA -0.845 43.978 45.100 -0.460 0.000 0.841 227 G HN -0.028 nan 8.290 nan 0.000 0.500 228 F N -0.453 119.435 119.950 -0.103 0.000 2.613 228 F HA 0.789 5.317 4.527 0.001 0.000 0.310 228 F C 0.071 175.826 175.800 -0.075 0.000 1.085 228 F CA -0.994 57.033 58.000 0.045 0.000 0.945 228 F CB 2.449 41.553 39.000 0.172 0.000 1.298 228 F HN 0.428 nan 8.300 nan 0.000 0.455 229 R N 2.423 123.043 120.500 0.200 0.000 2.393 229 R HA 0.553 4.894 4.340 0.001 0.000 0.315 229 R C -2.064 174.265 176.300 0.048 0.000 0.952 229 R CA -0.665 55.391 56.100 -0.073 0.000 0.842 229 R CB 1.293 31.233 30.300 -0.600 0.000 1.163 229 R HN 0.600 nan 8.270 nan 0.000 0.450 230 L N 3.869 125.097 121.223 0.009 0.000 2.265 230 L HA 0.288 4.629 4.340 0.001 0.000 0.288 230 L C 0.070 176.978 176.870 0.063 0.000 1.058 230 L CA -0.314 54.523 54.840 -0.004 0.000 0.809 230 L CB 1.051 43.052 42.059 -0.096 0.000 1.179 230 L HN 0.583 nan 8.230 nan 0.000 0.429 231 D N 3.072 123.534 120.400 0.103 0.000 2.302 231 D HA 0.487 5.128 4.640 0.001 0.000 0.248 231 D C 0.604 176.950 176.300 0.076 0.000 1.094 231 D CA 0.374 54.462 54.000 0.147 0.000 0.897 231 D CB 1.004 41.972 40.800 0.280 0.000 1.200 231 D HN 0.810 nan 8.370 nan 0.000 0.429 232 A N 2.559 125.421 122.820 0.069 0.000 2.704 232 A HA -0.190 4.131 4.320 0.001 0.000 0.299 232 A C 1.564 179.159 177.584 0.019 0.000 1.507 232 A CA 1.040 53.125 52.037 0.079 0.000 0.776 232 A CB -2.322 16.767 19.000 0.148 0.000 1.027 232 A HN 1.071 nan 8.150 nan 0.000 0.475 233 V N -1.343 118.518 119.914 -0.087 0.000 2.720 233 V HA -0.240 3.880 4.120 0.001 0.000 0.256 233 V C 2.129 178.122 176.094 -0.169 0.000 1.082 233 V CA 2.380 64.623 62.300 -0.094 0.000 1.101 233 V CB -0.830 30.919 31.823 -0.122 0.000 0.693 233 V HN 0.962 nan 8.190 nan 0.000 0.479 234 K N -0.275 119.762 120.400 -0.605 0.000 2.442 234 K HA -0.120 4.201 4.320 0.001 0.000 0.198 234 K C 1.455 177.771 176.600 -0.473 0.000 1.042 234 K CA 1.553 57.385 56.287 -0.758 0.000 0.958 234 K CB -0.485 31.156 32.500 -1.432 0.000 0.766 234 K HN 0.673 nan 8.250 nan 0.000 0.474 235 H N 0.250 119.238 119.070 -0.137 0.000 2.549 235 H HA 0.331 4.888 4.556 0.001 0.000 0.279 235 H C -0.059 175.290 175.328 0.034 0.000 1.018 235 H CA -0.122 55.871 56.048 -0.091 0.000 1.175 235 H CB 0.303 29.950 29.762 -0.191 0.000 1.485 235 H HN 0.127 nan 8.280 nan 0.000 0.543 236 I N 1.329 121.994 120.570 0.160 0.000 2.498 236 I HA 0.121 4.292 4.170 0.001 0.000 0.290 236 I C 0.385 176.605 176.117 0.172 0.000 1.032 236 I CA -0.988 60.413 61.300 0.170 0.000 1.073 236 I CB 2.758 40.818 38.000 0.099 0.000 1.251 236 I HN -0.182 nan 8.210 nan 0.000 0.426 237 K N 4.662 125.132 120.400 0.116 0.000 2.441 237 K HA -0.076 4.244 4.320 0.001 0.000 0.273 237 K C 0.416 177.136 176.600 0.200 0.000 1.090 237 K CA 0.297 56.620 56.287 0.060 0.000 1.158 237 K CB 0.283 32.874 32.500 0.153 0.000 0.847 237 K HN 0.412 nan 8.250 nan 0.000 0.483 238 F N 1.784 121.748 119.950 0.024 0.000 2.126 238 F HA -0.244 4.284 4.527 0.001 0.000 0.299 238 F C 2.623 178.401 175.800 -0.038 0.000 1.096 238 F CA 1.632 59.632 58.000 0.000 0.000 1.255 238 F CB -1.383 37.561 39.000 -0.094 0.000 0.997 238 F HN 0.689 nan 8.300 nan 0.000 0.479 239 S N -0.151 115.654 115.700 0.174 0.000 2.419 239 S HA -0.238 4.233 4.470 0.001 0.000 0.233 239 S C 1.986 176.647 174.600 0.102 0.000 1.016 239 S CA 0.852 59.113 58.200 0.102 0.000 0.974 239 S CB -1.465 61.794 63.200 0.097 0.000 0.786 239 S HN 0.313 nan 8.310 nan 0.000 0.492 240 F N 2.448 122.416 119.950 0.030 0.000 2.146 240 F HA 0.163 4.691 4.527 0.001 0.000 0.298 240 F C 1.876 177.677 175.800 0.002 0.000 1.096 240 F CA 0.957 58.952 58.000 -0.009 0.000 1.275 240 F CB -0.413 38.497 39.000 -0.149 0.000 1.008 240 F HN 0.130 nan 8.300 nan 0.000 0.480 241 L N 0.203 121.364 121.223 -0.102 0.000 2.012 241 L HA -0.243 4.098 4.340 0.001 0.000 0.210 241 L C 2.828 179.638 176.870 -0.100 0.000 1.073 241 L CA 1.618 56.373 54.840 -0.141 0.000 0.748 241 L CB -0.837 41.263 42.059 0.069 0.000 0.891 241 L HN 0.119 nan 8.230 nan 0.000 0.431 242 R N 0.446 120.919 120.500 -0.045 0.000 2.080 242 R HA -0.206 4.135 4.340 0.001 0.000 0.236 242 R C 1.820 178.086 176.300 -0.056 0.000 1.137 242 R CA 2.317 58.399 56.100 -0.029 0.000 0.943 242 R CB -0.391 29.877 30.300 -0.053 0.000 0.846 242 R HN 0.359 nan 8.270 nan 0.000 0.431 243 D N -0.726 119.611 120.400 -0.106 0.000 2.117 243 D HA -0.182 4.459 4.640 0.001 0.000 0.197 243 D C 1.480 177.695 176.300 -0.141 0.000 0.987 243 D CA 1.040 54.976 54.000 -0.106 0.000 0.829 243 D CB -0.563 40.183 40.800 -0.091 0.000 0.961 243 D HN 0.366 nan 8.370 nan 0.000 0.460 244 W N 1.395 122.367 121.300 -0.548 0.000 2.335 244 W HA -0.225 4.436 4.660 0.001 0.000 0.311 244 W C 2.117 178.491 176.519 -0.243 0.000 1.213 244 W CA 1.310 58.349 57.345 -0.511 0.000 1.274 244 W CB -0.300 28.675 29.460 -0.808 0.000 1.148 244 W HN -0.233 nan 8.180 nan 0.000 0.498 245 V N 1.463 121.409 119.914 0.053 0.000 2.343 245 V HA -0.351 3.770 4.120 0.001 0.000 0.247 245 V C 2.176 178.205 176.094 -0.109 0.000 1.051 245 V CA 2.251 64.533 62.300 -0.031 0.000 1.036 245 V CB -1.015 30.815 31.823 0.011 0.000 0.654 245 V HN 0.240 nan 8.190 nan 0.000 0.451 246 N N -0.401 118.257 118.700 -0.071 0.000 2.142 246 N HA -0.176 4.565 4.740 0.001 0.000 0.186 246 N C 1.796 177.249 175.510 -0.094 0.000 1.023 246 N CA 1.810 54.822 53.050 -0.063 0.000 0.852 246 N CB -0.520 37.946 38.487 -0.035 0.000 0.998 246 N HN 0.730 nan 8.380 nan 0.000 0.424 247 H N 0.657 119.602 119.070 -0.209 0.000 2.290 247 H HA -0.032 4.525 4.556 0.001 0.000 0.298 247 H C 1.851 177.014 175.328 -0.275 0.000 1.087 247 H CA 2.097 58.010 56.048 -0.226 0.000 1.291 247 H CB -0.194 29.413 29.762 -0.259 0.000 1.369 247 H HN -0.082 nan 8.280 nan 0.000 0.492 248 V N 0.770 120.499 119.914 -0.309 0.000 2.469 248 V HA -0.243 3.878 4.120 0.001 0.000 0.251 248 V C 2.511 178.478 176.094 -0.213 0.000 1.064 248 V CA 2.205 64.306 62.300 -0.330 0.000 1.066 248 V CB -0.494 31.015 31.823 -0.523 0.000 0.667 248 V HN 0.409 nan 8.190 nan 0.000 0.461 249 R N 0.364 120.761 120.500 -0.173 0.000 2.073 249 R HA -0.171 4.170 4.340 0.001 0.000 0.229 249 R C 2.434 178.652 176.300 -0.135 0.000 1.120 249 R CA 1.622 57.651 56.100 -0.118 0.000 0.967 249 R CB -0.259 29.991 30.300 -0.082 0.000 0.862 249 R HN 0.822 nan 8.270 nan 0.000 0.436 250 E N 0.945 121.043 120.200 -0.169 0.000 2.072 250 E HA -0.164 4.187 4.350 0.001 0.000 0.191 250 E C 1.590 178.077 176.600 -0.188 0.000 0.985 250 E CA 1.170 57.471 56.400 -0.164 0.000 0.801 250 E CB -0.015 29.583 29.700 -0.170 0.000 0.750 250 E HN 0.026 nan 8.360 nan 0.000 0.452 251 K N 0.083 120.322 120.400 -0.268 0.000 2.103 251 K HA -0.050 4.271 4.320 0.001 0.000 0.204 251 K C 2.382 178.892 176.600 -0.149 0.000 1.052 251 K CA 1.810 57.958 56.287 -0.232 0.000 0.945 251 K CB -0.195 32.119 32.500 -0.310 0.000 0.722 251 K HN 0.498 nan 8.250 nan 0.000 0.443 252 T N -3.171 111.298 114.554 -0.141 0.000 3.054 252 T HA 0.111 4.461 4.350 0.001 0.000 0.259 252 T C 1.485 176.126 174.700 -0.097 0.000 1.092 252 T CA 0.831 62.864 62.100 -0.111 0.000 1.121 252 T CB 0.176 68.976 68.868 -0.112 0.000 0.912 252 T HN 0.317 nan 8.240 nan 0.000 0.489 253 G N 1.296 110.037 108.800 -0.097 0.000 2.168 253 G HA2 -0.277 3.684 3.960 0.001 0.000 0.263 253 G HA3 -0.277 3.684 3.960 0.001 0.000 0.263 253 G C 0.014 174.870 174.900 -0.072 0.000 0.977 253 G CA 0.584 45.636 45.100 -0.080 0.000 0.659 253 G HN 0.688 nan 8.290 nan 0.000 0.533 254 K N -0.336 120.017 120.400 -0.079 0.000 2.139 254 K HA 0.514 4.835 4.320 0.001 0.000 0.243 254 K C 1.442 178.009 176.600 -0.056 0.000 0.983 254 K CA 0.011 56.255 56.287 -0.072 0.000 0.890 254 K CB 0.996 33.442 32.500 -0.090 0.000 1.090 254 K HN 0.279 nan 8.250 nan 0.000 0.445 255 E N 1.702 121.880 120.200 -0.036 0.000 2.152 255 E HA -0.118 4.232 4.350 0.001 0.000 0.192 255 E C -0.271 176.322 176.600 -0.012 0.000 0.983 255 E CA 0.648 57.041 56.400 -0.013 0.000 0.818 255 E CB 0.066 29.775 29.700 0.014 0.000 0.758 255 E HN 0.370 nan 8.360 nan 0.000 0.467 256 M N 0.655 120.235 119.600 -0.033 0.000 3.241 256 M HA -0.217 4.264 4.480 0.001 0.000 0.169 256 M C -0.525 175.740 176.300 -0.058 0.000 1.333 256 M CA 0.445 55.695 55.300 -0.083 0.000 0.838 256 M CB -2.491 30.059 32.600 -0.082 0.000 1.258 256 M HN 0.352 nan 8.290 nan 0.000 0.656 257 F N 1.700 121.565 119.950 -0.142 0.000 2.629 257 F HA 0.255 4.783 4.527 0.001 0.000 0.377 257 F C 0.509 176.146 175.800 -0.272 0.000 1.101 257 F CA 1.002 58.904 58.000 -0.164 0.000 1.301 257 F CB 0.620 39.529 39.000 -0.152 0.000 1.062 257 F HN 0.388 nan 8.300 nan 0.000 0.583 258 T N 6.330 120.195 114.554 -1.150 0.000 2.916 258 T HA 0.530 4.880 4.350 0.001 0.000 0.298 258 T C -1.316 172.872 174.700 -0.853 0.000 1.031 258 T CA -0.621 61.051 62.100 -0.712 0.000 0.993 258 T CB 1.666 70.395 68.868 -0.231 0.000 1.045 258 T HN 0.605 nan 8.240 nan 0.000 0.454 259 V N 2.162 121.775 119.914 -0.500 0.000 2.709 259 V HA 0.901 5.022 4.120 0.001 0.000 0.308 259 V C -1.016 174.954 176.094 -0.206 0.000 1.062 259 V CA -0.636 61.439 62.300 -0.375 0.000 0.901 259 V CB 1.501 33.039 31.823 -0.474 0.000 1.003 259 V HN 1.129 nan 8.190 nan 0.000 0.425 260 A N 4.367 127.156 122.820 -0.051 0.000 2.337 260 A HA 0.740 5.061 4.320 0.001 0.000 0.329 260 A C -0.348 177.329 177.584 0.154 0.000 1.146 260 A CA -0.615 51.467 52.037 0.074 0.000 0.800 260 A CB 1.185 20.323 19.000 0.230 0.000 1.220 260 A HN 0.938 nan 8.150 nan 0.000 0.472 261 E N 1.679 122.027 120.200 0.245 0.000 1.993 261 E HA 0.288 4.639 4.350 0.001 0.000 0.271 261 E C -1.734 174.944 176.600 0.129 0.000 1.008 261 E CA -0.240 56.367 56.400 0.346 0.000 0.814 261 E CB 0.326 30.182 29.700 0.261 0.000 1.098 261 E HN 0.549 nan 8.360 nan 0.000 0.407 262 Y N 5.561 125.825 120.300 -0.060 0.000 2.434 262 Y HA 0.167 4.718 4.550 0.001 0.000 0.341 262 Y C -1.096 174.775 175.900 -0.048 0.000 0.965 262 Y CA -1.071 56.902 58.100 -0.213 0.000 1.205 262 Y CB 0.524 38.673 38.460 -0.518 0.000 1.121 262 Y HN 0.573 nan 8.280 nan 0.000 0.507 263 W N 7.478 128.728 121.300 -0.083 0.000 2.507 263 W HA 0.410 5.070 4.660 0.001 0.000 0.334 263 W C -0.813 175.801 176.519 0.159 0.000 1.165 263 W CA 0.061 57.444 57.345 0.063 0.000 1.460 263 W CB 1.001 30.460 29.460 -0.002 0.000 1.404 263 W HN 0.539 nan 8.180 nan 0.000 0.435 264 S N 4.730 120.384 115.700 -0.076 0.000 2.543 264 S HA 0.160 4.631 4.470 0.001 0.000 0.271 264 S C -0.114 174.451 174.600 -0.059 0.000 1.148 264 S CA -0.571 57.668 58.200 0.066 0.000 0.914 264 S CB 1.035 64.368 63.200 0.221 0.000 1.096 264 S HN 0.419 nan 8.310 nan 0.000 0.471 265 Y N 3.279 123.498 120.300 -0.136 0.000 2.395 265 Y HA 0.214 4.765 4.550 0.001 0.000 0.293 265 Y C 0.720 176.551 175.900 -0.114 0.000 1.123 265 Y CA 1.190 59.178 58.100 -0.187 0.000 1.227 265 Y CB 0.162 38.459 38.460 -0.271 0.000 1.012 265 Y HN 0.729 nan 8.280 nan 0.000 0.552 266 D N 0.445 120.873 120.400 0.048 0.000 2.316 266 D HA 0.038 4.679 4.640 0.001 0.000 0.245 266 D C 0.984 177.242 176.300 -0.070 0.000 1.171 266 D CA -0.072 53.927 54.000 -0.002 0.000 0.856 266 D CB 1.133 41.965 40.800 0.053 0.000 1.090 266 D HN 0.241 nan 8.370 nan 0.000 0.476 267 L N 4.518 125.685 121.223 -0.094 0.000 2.131 267 L HA 0.124 4.465 4.340 0.001 0.000 0.210 267 L C 1.999 178.824 176.870 -0.075 0.000 1.092 267 L CA 2.131 56.917 54.840 -0.090 0.000 0.759 267 L CB -0.723 41.293 42.059 -0.071 0.000 0.903 267 L HN 0.618 nan 8.230 nan 0.000 0.435 268 G N -0.773 107.998 108.800 -0.049 0.000 2.446 268 G HA2 -0.310 3.651 3.960 0.001 0.000 0.217 268 G HA3 -0.310 3.651 3.960 0.001 0.000 0.217 268 G C 1.613 176.468 174.900 -0.074 0.000 1.168 268 G CA 0.858 45.936 45.100 -0.036 0.000 0.771 268 G HN 0.620 nan 8.290 nan 0.000 0.551 269 A N 0.343 123.112 122.820 -0.084 0.000 1.933 269 A HA 0.105 4.426 4.320 0.001 0.000 0.218 269 A C 2.454 179.773 177.584 -0.441 0.000 1.175 269 A CA 1.332 53.280 52.037 -0.149 0.000 0.628 269 A CB -0.356 18.629 19.000 -0.025 0.000 0.814 269 A HN 0.369 nan 8.150 nan 0.000 0.444 270 L N -0.755 120.220 121.223 -0.413 0.000 2.056 270 L HA -0.170 4.171 4.340 0.001 0.000 0.207 270 L C 2.557 179.209 176.870 -0.362 0.000 1.078 270 L CA 1.489 56.033 54.840 -0.494 0.000 0.749 270 L CB -0.509 41.371 42.059 -0.298 0.000 0.901 270 L HN 0.448 nan 8.230 nan 0.000 0.433 271 E N -0.157 119.902 120.200 -0.235 0.000 2.150 271 E HA -0.220 4.131 4.350 0.001 0.000 0.193 271 E C 1.741 178.203 176.600 -0.231 0.000 0.985 271 E CA 1.157 57.437 56.400 -0.200 0.000 0.814 271 E CB -0.172 29.512 29.700 -0.027 0.000 0.752 271 E HN 0.430 nan 8.360 nan 0.000 0.466 272 N N 0.692 119.275 118.700 -0.195 0.000 2.084 272 N HA -0.237 4.504 4.740 0.001 0.000 0.190 272 N C 1.749 177.089 175.510 -0.283 0.000 1.030 272 N CA 1.176 54.130 53.050 -0.159 0.000 0.849 272 N CB -0.311 38.147 38.487 -0.050 0.000 1.012 272 N HN 0.185 nan 8.380 nan 0.000 0.423 273 Y N 0.687 120.643 120.300 -0.573 0.000 2.181 273 Y HA -0.081 4.470 4.550 0.002 0.000 0.288 273 Y C 1.927 177.401 175.900 -0.711 0.000 1.146 273 Y CA 1.543 59.148 58.100 -0.824 0.000 1.164 273 Y CB -0.334 37.499 38.460 -1.045 0.000 0.982 273 Y HN 0.121 nan 8.280 nan 0.000 0.515 274 L N 0.238 121.070 121.223 -0.652 0.000 2.046 274 L HA -0.267 4.074 4.340 0.001 0.000 0.208 274 L C 2.361 178.447 176.870 -1.306 0.000 1.077 274 L CA 1.472 55.753 54.840 -0.932 0.000 0.747 274 L CB -0.655 40.931 42.059 -0.788 0.000 0.896 274 L HN 0.329 nan 8.230 nan 0.000 0.432 275 N N -0.089 118.023 118.700 -0.980 0.000 2.120 275 N HA -0.153 4.588 4.740 0.001 0.000 0.188 275 N C 1.698 176.899 175.510 -0.516 0.000 1.024 275 N CA 1.055 53.655 53.050 -0.750 0.000 0.852 275 N CB -0.025 38.286 38.487 -0.293 0.000 1.003 275 N HN 0.260 nan 8.380 nan 0.000 0.424 276 K N 0.541 120.676 120.400 -0.441 0.000 2.283 276 K HA -0.022 4.299 4.320 0.001 0.000 0.202 276 K C 1.482 177.869 176.600 -0.354 0.000 1.048 276 K CA 0.903 57.020 56.287 -0.285 0.000 0.948 276 K CB -0.389 32.053 32.500 -0.096 0.000 0.742 276 K HN 0.392 nan 8.250 nan 0.000 0.458 277 T N -1.933 112.260 114.554 -0.601 0.000 3.134 277 T HA 0.096 4.446 4.350 0.001 0.000 0.260 277 T C 0.395 174.858 174.700 -0.395 0.000 1.027 277 T CA -0.434 61.368 62.100 -0.496 0.000 0.913 277 T CB -0.444 67.990 68.868 -0.724 0.000 1.046 277 T HN 0.234 nan 8.240 nan 0.000 0.553 278 N N 1.186 119.637 118.700 -0.416 0.000 2.716 278 N HA -0.234 4.507 4.740 0.001 0.000 0.250 278 N C -0.737 174.697 175.510 -0.126 0.000 1.033 278 N CA 0.418 53.321 53.050 -0.245 0.000 0.727 278 N CB -1.299 37.144 38.487 -0.074 0.000 0.950 278 N HN 0.569 nan 8.380 nan 0.000 0.541 279 F N -1.914 117.895 119.950 -0.235 0.000 3.105 279 F HA -0.309 4.219 4.527 0.001 0.000 0.280 279 F C 1.467 177.161 175.800 -0.176 0.000 0.894 279 F CA 1.136 59.002 58.000 -0.224 0.000 0.992 279 F CB -2.153 36.765 39.000 -0.137 0.000 1.047 279 F HN 0.443 nan 8.300 nan 0.000 0.607 280 N N 1.030 119.679 118.700 -0.085 0.000 2.521 280 N HA -0.089 4.652 4.740 0.001 0.000 0.188 280 N C 0.300 175.841 175.510 0.051 0.000 1.146 280 N CA 1.532 54.588 53.050 0.011 0.000 0.893 280 N CB -0.241 38.267 38.487 0.035 0.000 0.975 280 N HN 0.691 nan 8.380 nan 0.000 0.451 281 H N -3.960 115.046 119.070 -0.106 0.000 2.990 281 H HA 0.519 5.076 4.556 0.001 0.000 0.336 281 H C -1.305 173.942 175.328 -0.134 0.000 1.306 281 H CA -0.817 55.130 56.048 -0.169 0.000 1.118 281 H CB 0.433 30.082 29.762 -0.189 0.000 1.856 281 H HN -0.122 nan 8.280 nan 0.000 0.538 282 S N 0.047 115.671 115.700 -0.127 0.000 2.707 282 S HA 0.579 5.050 4.470 0.001 0.000 0.276 282 S C 0.254 174.802 174.600 -0.087 0.000 1.179 282 S CA -0.208 57.944 58.200 -0.081 0.000 0.992 282 S CB 1.478 64.707 63.200 0.049 0.000 1.030 282 S HN 0.637 nan 8.310 nan 0.000 0.554 283 V N -1.092 118.771 119.914 -0.085 0.000 2.962 283 V HA 0.687 4.808 4.120 0.001 0.000 0.313 283 V C -1.110 174.930 176.094 -0.090 0.000 1.099 283 V CA -1.165 61.082 62.300 -0.088 0.000 0.971 283 V CB 0.847 32.644 31.823 -0.044 0.000 1.028 283 V HN 0.654 nan 8.190 nan 0.000 0.430 284 F N 1.183 121.174 119.950 0.069 0.000 2.471 284 F HA 0.317 4.845 4.527 0.001 0.000 0.353 284 F C 1.109 177.010 175.800 0.167 0.000 1.113 284 F CA 0.190 58.275 58.000 0.141 0.000 1.262 284 F CB 0.441 39.459 39.000 0.029 0.000 1.146 284 F HN 0.644 nan 8.300 nan 0.000 0.578 285 D N 3.402 124.059 120.400 0.427 0.000 2.551 285 D HA 0.094 4.735 4.640 0.001 0.000 0.223 285 D C 1.134 177.489 176.300 0.091 0.000 1.144 285 D CA 0.192 54.298 54.000 0.177 0.000 1.025 285 D CB 0.402 41.264 40.800 0.103 0.000 1.085 285 D HN 0.298 nan 8.370 nan 0.000 0.506 286 V N 4.188 124.128 119.914 0.043 0.000 2.332 286 V HA -0.175 3.946 4.120 0.001 0.000 0.248 286 V C -0.663 175.350 176.094 -0.136 0.000 1.055 286 V CA 1.461 63.665 62.300 -0.159 0.000 1.038 286 V CB -1.110 30.392 31.823 -0.536 0.000 0.651 286 V HN 0.430 nan 8.190 nan 0.000 0.450 287 P HA -0.164 nan 4.420 nan 0.000 0.215 287 P C 1.920 179.037 177.300 -0.306 0.000 1.153 287 P CA 1.206 64.150 63.100 -0.261 0.000 0.853 287 P CB -0.099 31.431 31.700 -0.284 0.000 0.788 288 L N -0.759 120.247 121.223 -0.361 0.000 2.083 288 L HA -0.181 4.160 4.340 0.001 0.000 0.209 288 L C 2.467 178.811 176.870 -0.876 0.000 1.083 288 L CA 1.988 56.453 54.840 -0.625 0.000 0.752 288 L CB -1.562 40.163 42.059 -0.556 0.000 0.899 288 L HN 0.036 nan 8.230 nan 0.000 0.433 289 H N -1.895 116.730 119.070 -0.742 0.000 2.352 289 H HA -0.236 4.321 4.556 0.002 0.000 0.299 289 H C 1.864 176.911 175.328 -0.469 0.000 1.097 289 H CA 2.362 57.986 56.048 -0.706 0.000 1.311 289 H CB -0.427 28.784 29.762 -0.920 0.000 1.377 289 H HN 0.445 nan 8.280 nan 0.000 0.504 290 Y N 0.748 120.793 120.300 -0.425 0.000 2.352 290 Y HA -0.131 4.420 4.550 0.001 0.000 0.292 290 Y C 2.710 178.437 175.900 -0.288 0.000 1.136 290 Y CA 1.388 59.331 58.100 -0.261 0.000 1.227 290 Y CB -0.107 38.380 38.460 0.044 0.000 0.991 290 Y HN 0.393 nan 8.280 nan 0.000 0.545 291 Q N -1.265 118.355 119.800 -0.300 0.000 2.119 291 Q HA -0.152 4.189 4.340 0.001 0.000 0.201 291 Q C 1.863 177.563 176.000 -0.500 0.000 0.972 291 Q CA 1.189 56.773 55.803 -0.366 0.000 0.847 291 Q CB -0.282 28.232 28.738 -0.374 0.000 0.903 291 Q HN 0.427 nan 8.270 nan 0.000 0.433 292 F N 0.122 119.787 119.950 -0.474 0.000 2.113 292 F HA -0.196 4.332 4.527 0.001 0.000 0.297 292 F C 2.392 177.819 175.800 -0.622 0.000 1.103 292 F CA 1.183 58.892 58.000 -0.485 0.000 1.248 292 F CB -1.212 37.589 39.000 -0.332 0.000 0.999 292 F HN 0.298 nan 8.300 nan 0.000 0.475 293 H N 0.274 119.096 119.070 -0.413 0.000 2.321 293 H HA -0.133 4.424 4.556 0.002 0.000 0.300 293 H C 2.138 177.269 175.328 -0.328 0.000 1.087 293 H CA 1.624 57.458 56.048 -0.356 0.000 1.319 293 H CB -0.149 29.411 29.762 -0.337 0.000 1.379 293 H HN 0.192 nan 8.280 nan 0.000 0.501 294 A N 1.412 124.007 122.820 -0.375 0.000 1.883 294 A HA -0.128 4.193 4.320 0.001 0.000 0.217 294 A C 2.769 179.966 177.584 -0.646 0.000 1.186 294 A CA 2.165 53.962 52.037 -0.400 0.000 0.624 294 A CB -1.242 17.606 19.000 -0.253 0.000 0.822 294 A HN 0.602 nan 8.150 nan 0.000 0.444 295 A N 0.159 122.335 122.820 -1.073 0.000 1.902 295 A HA -0.110 4.211 4.320 0.001 0.000 0.217 295 A C 2.502 179.615 177.584 -0.784 0.000 1.181 295 A CA 2.441 53.892 52.037 -0.978 0.000 0.623 295 A CB -0.996 17.313 19.000 -1.152 0.000 0.818 295 A HN 1.117 nan 8.150 nan 0.000 0.443 296 S N -0.476 114.582 115.700 -1.069 0.000 2.447 296 S HA -0.101 4.370 4.470 0.001 0.000 0.233 296 S C 1.551 176.121 174.600 -0.049 0.000 1.006 296 S CA 1.759 59.539 58.200 -0.700 0.000 0.957 296 S CB -0.861 61.923 63.200 -0.693 0.000 0.773 296 S HN 0.771 nan 8.310 nan 0.000 0.507 297 T N -2.038 112.391 114.554 -0.209 0.000 3.054 297 T HA 0.323 4.674 4.350 0.001 0.000 0.255 297 T C 1.117 175.819 174.700 0.004 0.000 1.035 297 T CA -0.322 61.726 62.100 -0.086 0.000 0.941 297 T CB -0.079 68.630 68.868 -0.265 0.000 1.026 297 T HN 0.433 nan 8.240 nan 0.000 0.533 298 Q N 0.950 120.771 119.800 0.034 0.000 2.204 298 Q HA 0.376 4.717 4.340 0.001 0.000 0.209 298 Q C 1.241 177.303 176.000 0.105 0.000 0.861 298 Q CA -0.187 55.663 55.803 0.079 0.000 0.971 298 Q CB 0.359 29.167 28.738 0.117 0.000 1.095 298 Q HN 0.661 nan 8.270 nan 0.000 0.486 299 G N 0.767 109.632 108.800 0.108 0.000 2.361 299 G HA2 -0.293 3.667 3.960 0.001 0.000 0.294 299 G HA3 -0.293 3.667 3.960 0.001 0.000 0.294 299 G C 0.784 175.716 174.900 0.054 0.000 1.004 299 G CA 0.599 45.711 45.100 0.020 0.000 0.870 299 G HN 0.680 nan 8.290 nan 0.000 0.510 300 G N -2.375 106.529 108.800 0.174 0.000 2.213 300 G HA2 0.073 4.034 3.960 0.001 0.000 0.226 300 G HA3 0.073 4.034 3.960 0.001 0.000 0.226 300 G C 1.596 176.625 174.900 0.215 0.000 0.992 300 G CA 1.044 46.269 45.100 0.207 0.000 0.632 300 G HN 1.848 nan 8.290 nan 0.000 0.511 301 G N -0.531 108.374 108.800 0.176 0.000 2.650 301 G HA2 0.285 4.246 3.960 0.001 0.000 0.214 301 G HA3 0.285 4.246 3.960 0.001 0.000 0.214 301 G C 0.639 175.644 174.900 0.175 0.000 1.136 301 G CA 0.695 45.883 45.100 0.146 0.000 0.789 301 G HN 0.640 nan 8.290 nan 0.000 0.536 302 Y N 1.607 121.961 120.300 0.090 0.000 2.497 302 Y HA 0.255 4.806 4.550 0.001 0.000 0.334 302 Y C -0.061 175.911 175.900 0.120 0.000 1.199 302 Y CA -1.206 56.940 58.100 0.075 0.000 1.425 302 Y CB 0.877 39.361 38.460 0.040 0.000 1.291 302 Y HN -0.039 nan 8.280 nan 0.000 0.562 303 D N 6.430 126.576 120.400 -0.423 0.000 2.365 303 D HA 0.045 4.686 4.640 0.001 0.000 0.237 303 D C 0.765 176.979 176.300 -0.144 0.000 1.190 303 D CA -0.102 53.787 54.000 -0.185 0.000 0.867 303 D CB 0.629 41.305 40.800 -0.206 0.000 1.050 303 D HN 0.636 nan 8.370 nan 0.000 0.491 304 M N 3.020 122.741 119.600 0.201 0.000 2.446 304 M HA -0.107 4.374 4.480 0.001 0.000 0.263 304 M C 1.593 178.138 176.300 0.409 0.000 1.066 304 M CA 0.864 56.392 55.300 0.380 0.000 1.087 304 M CB -0.424 32.414 32.600 0.397 0.000 1.406 304 M HN 0.381 nan 8.290 nan 0.000 0.459 305 R N 0.252 120.932 120.500 0.299 0.000 2.189 305 R HA -0.101 4.240 4.340 0.001 0.000 0.223 305 R C 1.930 178.340 176.300 0.185 0.000 1.092 305 R CA 0.843 57.147 56.100 0.341 0.000 0.989 305 R CB -0.164 30.273 30.300 0.228 0.000 0.876 305 R HN 0.370 nan 8.270 nan 0.000 0.457 306 K N 0.615 121.063 120.400 0.080 0.000 2.280 306 K HA -0.067 4.254 4.320 0.001 0.000 0.202 306 K C 1.693 178.323 176.600 0.050 0.000 1.047 306 K CA 0.781 57.076 56.287 0.014 0.000 0.942 306 K CB -0.019 32.420 32.500 -0.102 0.000 0.739 306 K HN 0.147 nan 8.250 nan 0.000 0.457 307 L N 0.630 121.934 121.223 0.134 0.000 2.261 307 L HA -0.165 4.176 4.340 0.001 0.000 0.216 307 L C 1.750 178.582 176.870 -0.063 0.000 1.114 307 L CA 0.849 55.693 54.840 0.007 0.000 0.777 307 L CB -0.293 41.801 42.059 0.058 0.000 0.910 307 L HN 0.221 nan 8.230 nan 0.000 0.440 308 L N -0.915 120.239 121.223 -0.116 0.000 2.554 308 L HA 0.061 4.402 4.340 0.001 0.000 0.226 308 L C 0.341 177.137 176.870 -0.123 0.000 1.137 308 L CA 0.189 54.911 54.840 -0.196 0.000 0.863 308 L CB -0.258 41.588 42.059 -0.355 0.000 0.985 308 L HN 0.385 nan 8.230 nan 0.000 0.451 309 N N -0.756 117.890 118.700 -0.090 0.000 2.380 309 N HA 0.366 5.107 4.740 0.001 0.000 0.290 309 N C 0.662 176.120 175.510 -0.087 0.000 1.236 309 N CA 0.283 53.284 53.050 -0.081 0.000 0.780 309 N CB 1.782 40.230 38.487 -0.064 0.000 1.438 309 N HN -0.021 nan 8.380 nan 0.000 0.491 310 G N -0.008 108.742 108.800 -0.083 0.000 2.155 310 G HA2 -0.281 3.680 3.960 0.001 0.000 0.257 310 G HA3 -0.281 3.680 3.960 0.001 0.000 0.257 310 G C 0.125 174.953 174.900 -0.120 0.000 0.983 310 G CA 1.040 46.082 45.100 -0.097 0.000 0.676 310 G HN 0.919 nan 8.290 nan 0.000 0.528 311 T N -3.356 111.135 114.554 -0.105 0.000 2.940 311 T HA 0.677 5.028 4.350 0.001 0.000 0.288 311 T C 1.365 176.041 174.700 -0.041 0.000 1.033 311 T CA -0.041 61.996 62.100 -0.105 0.000 1.033 311 T CB 2.233 71.031 68.868 -0.117 0.000 1.079 311 T HN 0.452 nan 8.240 nan 0.000 0.496 312 V N 1.739 121.645 119.914 -0.014 0.000 2.343 312 V HA -0.117 4.004 4.120 0.001 0.000 0.247 312 V C 2.724 178.871 176.094 0.089 0.000 1.051 312 V CA 1.629 63.971 62.300 0.070 0.000 1.036 312 V CB -0.771 31.084 31.823 0.053 0.000 0.654 312 V HN 0.797 nan 8.190 nan 0.000 0.451 313 V N 1.085 121.028 119.914 0.048 0.000 2.594 313 V HA -0.210 3.911 4.120 0.001 0.000 0.253 313 V C 2.711 178.795 176.094 -0.016 0.000 1.069 313 V CA 2.392 64.716 62.300 0.040 0.000 1.082 313 V CB -0.187 31.668 31.823 0.053 0.000 0.680 313 V HN 0.817 nan 8.190 nan 0.000 0.469 314 S N -0.973 114.704 115.700 -0.038 0.000 2.447 314 S HA -0.129 4.342 4.470 0.001 0.000 0.233 314 S C 1.844 176.370 174.600 -0.122 0.000 1.006 314 S CA 1.178 59.330 58.200 -0.081 0.000 0.957 314 S CB -0.231 62.919 63.200 -0.085 0.000 0.773 314 S HN 0.694 nan 8.310 nan 0.000 0.507 315 K N -0.176 120.134 120.400 -0.150 0.000 2.399 315 K HA 0.170 4.491 4.320 0.001 0.000 0.196 315 K C -0.069 176.156 176.600 -0.626 0.000 1.117 315 K CA 0.255 56.323 56.287 -0.365 0.000 0.965 315 K CB 0.296 32.551 32.500 -0.409 0.000 0.983 315 K HN 0.513 nan 8.250 nan 0.000 0.531 316 H N 1.569 120.620 119.070 -0.030 0.000 2.348 316 H HA 0.169 4.725 4.556 0.001 0.000 0.232 316 H C -2.093 173.229 175.328 -0.011 0.000 1.419 316 H CA -1.640 54.394 56.048 -0.024 0.000 1.416 316 H CB 1.180 30.959 29.762 0.027 0.000 1.510 316 H HN -0.031 nan 8.280 nan 0.000 0.507 317 P HA -0.135 nan 4.420 nan 0.000 0.218 317 P C 1.121 178.448 177.300 0.045 0.000 1.146 317 P CA 0.938 64.044 63.100 0.009 0.000 0.813 317 P CB 0.446 32.122 31.700 -0.041 0.000 0.778 318 L N -1.802 119.454 121.223 0.054 0.000 2.667 318 L HA 0.206 4.547 4.340 0.001 0.000 0.232 318 L C 1.521 178.468 176.870 0.128 0.000 1.138 318 L CA 0.288 55.171 54.840 0.072 0.000 0.921 318 L CB -0.152 41.927 42.059 0.034 0.000 1.180 318 L HN -0.239 nan 8.230 nan 0.000 0.487 319 K N -0.209 120.278 120.400 0.145 0.000 2.506 319 K HA 0.289 4.610 4.320 0.001 0.000 0.204 319 K C 0.004 176.679 176.600 0.125 0.000 1.045 319 K CA 0.101 56.472 56.287 0.139 0.000 1.074 319 K CB 1.349 33.930 32.500 0.136 0.000 0.842 319 K HN 0.020 nan 8.250 nan 0.000 0.514 320 S N 0.579 116.373 115.700 0.157 0.000 2.502 320 S HA 0.474 4.945 4.470 0.001 0.000 0.304 320 S C -0.735 173.981 174.600 0.195 0.000 1.097 320 S CA -0.487 57.800 58.200 0.145 0.000 1.045 320 S CB 1.304 64.583 63.200 0.133 0.000 1.019 320 S HN -0.097 nan 8.310 nan 0.000 0.481 321 V N 5.312 125.319 119.914 0.156 0.000 2.347 321 V HA 0.447 4.568 4.120 0.001 0.000 0.280 321 V C 0.533 176.842 176.094 0.358 0.000 1.021 321 V CA -0.616 61.796 62.300 0.187 0.000 0.847 321 V CB 1.223 33.006 31.823 -0.067 0.000 0.990 321 V HN 1.014 nan 8.190 nan 0.000 0.444 322 T N 3.084 117.848 114.554 0.350 0.000 2.909 322 T HA 0.812 5.163 4.350 0.001 0.000 0.286 322 T C -0.662 174.349 174.700 0.519 0.000 1.002 322 T CA -0.435 61.893 62.100 0.380 0.000 1.074 322 T CB 1.303 70.338 68.868 0.277 0.000 0.984 322 T HN 0.635 nan 8.240 nan 0.000 0.495 323 F N -0.229 119.881 119.950 0.267 0.000 2.686 323 F HA 0.713 5.241 4.527 0.002 0.000 0.311 323 F C -0.294 175.632 175.800 0.211 0.000 1.128 323 F CA -1.464 56.672 58.000 0.227 0.000 0.946 323 F CB 0.579 39.715 39.000 0.226 0.000 1.336 323 F HN 0.280 nan 8.300 nan 0.000 0.457 324 V N -0.479 119.487 119.914 0.087 0.000 2.521 324 V HA 0.231 4.352 4.120 0.001 0.000 0.239 324 V C -0.202 175.988 176.094 0.161 0.000 1.053 324 V CA 1.102 63.364 62.300 -0.062 0.000 1.073 324 V CB -0.179 31.319 31.823 -0.543 0.000 0.746 324 V HN 0.798 nan 8.190 nan 0.000 0.476 325 D N -0.658 119.888 120.400 0.244 0.000 2.570 325 D HA 0.450 5.091 4.640 0.001 0.000 0.244 325 D C -1.165 174.922 176.300 -0.355 0.000 1.178 325 D CA -0.211 53.847 54.000 0.096 0.000 0.881 325 D CB 2.690 43.560 40.800 0.117 0.000 1.453 325 D HN 0.385 nan 8.370 nan 0.000 0.447 326 N N -1.526 116.729 118.700 -0.741 0.000 3.439 326 N HA 0.038 4.779 4.740 0.001 0.000 0.313 326 N C 0.766 175.724 175.510 -0.920 0.000 1.598 326 N CA -0.375 51.937 53.050 -1.230 0.000 0.830 326 N CB 0.119 38.185 38.487 -0.702 0.000 1.849 326 N HN 0.390 nan 8.380 nan 0.000 0.598 327 H N -1.282 117.451 119.070 -0.562 0.000 2.521 327 H HA 0.107 4.664 4.556 0.001 0.000 0.286 327 H C -0.308 174.895 175.328 -0.209 0.000 1.034 327 H CA 1.115 57.090 56.048 -0.122 0.000 1.278 327 H CB -0.221 29.610 29.762 0.114 0.000 1.386 327 H HN 0.510 nan 8.280 nan 0.000 0.567 328 D N 1.012 120.843 120.400 -0.948 0.000 2.213 328 D HA -0.072 4.568 4.640 0.001 0.000 0.205 328 D C 1.869 177.828 176.300 -0.567 0.000 0.961 328 D CA 1.964 55.446 54.000 -0.863 0.000 0.853 328 D CB 0.017 40.122 40.800 -1.159 0.000 0.967 328 D HN 0.621 nan 8.370 nan 0.000 0.496 329 T N -1.352 112.943 114.554 -0.432 0.000 3.060 329 T HA 0.012 4.363 4.350 0.001 0.000 0.249 329 T C 1.002 175.658 174.700 -0.073 0.000 1.079 329 T CA -0.417 61.542 62.100 -0.234 0.000 1.013 329 T CB 0.060 68.774 68.868 -0.256 0.000 0.975 329 T HN 0.166 nan 8.240 nan 0.000 0.518 330 Q N 1.446 121.226 119.800 -0.033 0.000 2.492 330 Q HA 0.350 4.691 4.340 0.001 0.000 0.238 330 Q C -2.715 173.362 176.000 0.128 0.000 1.045 330 Q CA -2.130 53.763 55.803 0.150 0.000 0.934 330 Q CB -0.530 28.415 28.738 0.344 0.000 1.276 330 Q HN 0.076 nan 8.270 nan 0.000 0.521 331 P HA -0.046 nan 4.420 nan 0.000 0.263 331 P C 0.471 177.831 177.300 0.100 0.000 1.175 331 P CA 1.676 64.836 63.100 0.099 0.000 0.761 331 P CB 0.313 32.060 31.700 0.079 0.000 0.794 332 G N 0.848 109.676 108.800 0.047 0.000 2.199 332 G HA2 -0.200 3.761 3.960 0.001 0.000 0.254 332 G HA3 -0.200 3.761 3.960 0.001 0.000 0.254 332 G C 0.176 175.091 174.900 0.025 0.000 0.982 332 G CA -0.305 44.825 45.100 0.049 0.000 0.632 332 G HN 0.522 nan 8.290 nan 0.000 0.529 333 Q N 0.472 120.244 119.800 -0.046 0.000 2.260 333 Q HA 0.552 4.892 4.340 0.001 0.000 0.238 333 Q C 1.874 177.749 176.000 -0.207 0.000 0.948 333 Q CA 0.375 56.044 55.803 -0.224 0.000 0.895 333 Q CB 1.355 29.893 28.738 -0.333 0.000 1.218 333 Q HN 0.556 nan 8.270 nan 0.000 0.470 334 S N 0.565 116.100 115.700 -0.274 0.000 2.399 334 S HA -0.093 4.378 4.470 0.001 0.000 0.231 334 S C 1.249 175.736 174.600 -0.188 0.000 1.022 334 S CA 1.001 59.078 58.200 -0.206 0.000 0.983 334 S CB -0.046 63.022 63.200 -0.220 0.000 0.803 334 S HN 0.555 nan 8.310 nan 0.000 0.480 335 L N 1.624 122.684 121.223 -0.272 0.000 2.912 335 L HA 0.378 4.719 4.340 0.001 0.000 0.240 335 L C 0.563 177.358 176.870 -0.126 0.000 1.262 335 L CA -0.291 54.422 54.840 -0.211 0.000 1.058 335 L CB -0.207 41.581 42.059 -0.452 0.000 1.383 335 L HN 0.358 nan 8.230 nan 0.000 0.512 336 E N 1.915 122.052 120.200 -0.106 0.000 2.652 336 E HA -0.052 4.299 4.350 0.001 0.000 0.255 336 E C -0.021 176.562 176.600 -0.028 0.000 0.952 336 E CA 0.499 56.867 56.400 -0.053 0.000 0.947 336 E CB 0.438 30.124 29.700 -0.022 0.000 0.912 336 E HN 0.333 nan 8.360 nan 0.000 0.489 337 S N 1.854 117.542 115.700 -0.021 0.000 2.552 337 S HA 0.067 4.538 4.470 0.001 0.000 0.183 337 S C -0.583 174.066 174.600 0.083 0.000 0.841 337 S CA -0.834 57.249 58.200 -0.195 0.000 1.048 337 S CB 0.148 63.228 63.200 -0.200 0.000 1.714 337 S HN 0.366 nan 8.310 nan 0.000 0.488 338 T N 2.180 116.850 114.554 0.193 0.000 2.888 338 T HA 0.298 4.649 4.350 0.001 0.000 0.301 338 T C 0.542 175.408 174.700 0.276 0.000 1.001 338 T CA -0.099 62.145 62.100 0.240 0.000 1.147 338 T CB 0.793 69.773 68.868 0.186 0.000 0.931 338 T HN 0.434 nan 8.240 nan 0.000 0.541 339 V N 5.147 125.167 119.914 0.177 0.000 2.479 339 V HA 0.049 4.170 4.120 0.001 0.000 0.281 339 V C 0.993 177.100 176.094 0.021 0.000 1.031 339 V CA -0.298 62.025 62.300 0.039 0.000 1.038 339 V CB 0.295 32.119 31.823 0.002 0.000 0.981 339 V HN 0.827 nan 8.190 nan 0.000 0.478 340 Q N 2.793 122.566 119.800 -0.045 0.000 2.369 340 Q HA -0.011 4.330 4.340 0.001 0.000 0.295 340 Q C 1.428 177.405 176.000 -0.039 0.000 1.075 340 Q CA 0.375 56.188 55.803 0.016 0.000 0.941 340 Q CB 0.423 29.232 28.738 0.119 0.000 1.260 340 Q HN 0.831 nan 8.270 nan 0.000 0.417 341 T N 2.238 116.846 114.554 0.089 0.000 2.699 341 T HA -0.193 4.158 4.350 0.001 0.000 0.268 341 T C 1.425 176.171 174.700 0.078 0.000 1.036 341 T CA 1.841 63.995 62.100 0.091 0.000 1.147 341 T CB -0.264 68.687 68.868 0.137 0.000 0.862 341 T HN 0.815 nan 8.240 nan 0.000 0.446 342 W N 0.516 121.869 121.300 0.089 0.000 2.374 342 W HA -0.043 4.621 4.660 0.006 0.000 0.288 342 W C 1.704 178.278 176.519 0.091 0.000 1.218 342 W CA 0.237 57.630 57.345 0.079 0.000 1.245 342 W CB -1.172 28.340 29.460 0.086 0.000 1.126 342 W HN 0.238 nan 8.180 nan 0.000 0.545 343 F N 2.200 121.480 119.950 -1.118 0.000 2.569 343 F HA 0.132 4.660 4.527 0.001 0.000 0.295 343 F C 2.614 178.094 175.800 -0.532 0.000 1.115 343 F CA 1.251 58.586 58.000 -1.108 0.000 1.450 343 F CB -0.345 37.755 39.000 -1.501 0.000 1.107 343 F HN -0.266 nan 8.300 nan 0.000 0.563 344 K N 0.864 121.109 120.400 -0.258 0.000 2.059 344 K HA -0.187 4.134 4.320 0.001 0.000 0.212 344 K C -0.940 175.589 176.600 -0.119 0.000 1.050 344 K CA 2.184 58.386 56.287 -0.141 0.000 0.927 344 K CB -1.137 31.383 32.500 0.034 0.000 0.714 344 K HN 0.157 nan 8.250 nan 0.000 0.447 345 P HA -0.113 nan 4.420 nan 0.000 0.218 345 P C 0.883 178.080 177.300 -0.172 0.000 1.149 345 P CA 0.924 63.980 63.100 -0.075 0.000 0.817 345 P CB 0.107 31.746 31.700 -0.101 0.000 0.785 346 L N -0.459 120.511 121.223 -0.422 0.000 2.056 346 L HA -0.085 4.255 4.340 0.001 0.000 0.207 346 L C 2.530 179.106 176.870 -0.490 0.000 1.078 346 L CA 1.955 56.488 54.840 -0.512 0.000 0.749 346 L CB -1.793 39.676 42.059 -0.982 0.000 0.901 346 L HN -0.089 nan 8.230 nan 0.000 0.433 347 A N -1.751 120.598 122.820 -0.784 0.000 1.930 347 A HA -0.215 4.106 4.320 0.001 0.000 0.217 347 A C 2.194 179.418 177.584 -0.601 0.000 1.175 347 A CA 1.312 52.725 52.037 -1.040 0.000 0.627 347 A CB -0.839 17.314 19.000 -1.411 0.000 0.815 347 A HN 0.379 nan 8.150 nan 0.000 0.443 348 Y N -0.012 120.123 120.300 -0.276 0.000 2.242 348 Y HA -0.079 4.472 4.550 0.001 0.000 0.291 348 Y C 2.902 178.814 175.900 0.019 0.000 1.137 348 Y CA 0.788 58.835 58.100 -0.088 0.000 1.181 348 Y CB -0.550 37.864 38.460 -0.077 0.000 0.989 348 Y HN 0.332 nan 8.280 nan 0.000 0.527 349 A N -0.442 122.480 122.820 0.170 0.000 1.908 349 A HA -0.249 4.071 4.320 0.001 0.000 0.218 349 A C 2.140 179.973 177.584 0.415 0.000 1.181 349 A CA 1.648 53.838 52.037 0.256 0.000 0.627 349 A CB -1.347 17.777 19.000 0.206 0.000 0.818 349 A HN 0.492 nan 8.150 nan 0.000 0.445 350 F N 1.288 121.375 119.950 0.228 0.000 2.095 350 F HA -0.189 4.339 4.527 0.002 0.000 0.298 350 F C 2.065 177.865 175.800 -0.001 0.000 1.104 350 F CA 2.109 60.153 58.000 0.073 0.000 1.232 350 F CB -0.201 38.880 39.000 0.135 0.000 0.987 350 F HN 0.355 nan 8.300 nan 0.000 0.475 351 I N -1.950 118.802 120.570 0.304 0.000 2.617 351 I HA -0.092 4.079 4.170 0.001 0.000 0.256 351 I C 1.664 177.856 176.117 0.125 0.000 1.167 351 I CA 1.205 62.635 61.300 0.217 0.000 1.469 351 I CB -0.540 37.637 38.000 0.295 0.000 1.098 351 I HN 0.142 nan 8.210 nan 0.000 0.436 352 L N 1.238 122.554 121.223 0.155 0.000 2.307 352 L HA 0.039 4.380 4.340 0.001 0.000 0.211 352 L C 2.325 179.242 176.870 0.079 0.000 1.099 352 L CA 1.352 56.273 54.840 0.135 0.000 0.816 352 L CB -0.341 41.820 42.059 0.170 0.000 0.952 352 L HN 0.463 nan 8.230 nan 0.000 0.455 353 T N -3.887 110.729 114.554 0.103 0.000 3.044 353 T HA 0.208 4.559 4.350 0.001 0.000 0.260 353 T C 0.885 175.618 174.700 0.055 0.000 1.019 353 T CA -0.438 61.745 62.100 0.137 0.000 0.921 353 T CB 0.228 69.283 68.868 0.312 0.000 1.053 353 T HN 0.054 nan 8.240 nan 0.000 0.533 354 R N 1.537 121.914 120.500 -0.205 0.000 2.532 354 R HA 0.370 4.711 4.340 0.001 0.000 0.272 354 R C 1.478 177.643 176.300 -0.224 0.000 1.032 354 R CA -0.225 55.630 56.100 -0.410 0.000 1.089 354 R CB 0.886 30.679 30.300 -0.845 0.000 1.098 354 R HN 0.520 nan 8.270 nan 0.000 0.526 355 E N 0.149 120.232 120.200 -0.195 0.000 2.285 355 E HA -0.000 4.351 4.350 0.001 0.000 0.194 355 E C -0.129 176.405 176.600 -0.109 0.000 0.997 355 E CA 0.519 56.840 56.400 -0.132 0.000 0.845 355 E CB 0.285 29.921 29.700 -0.107 0.000 0.782 355 E HN 0.199 nan 8.360 nan 0.000 0.491 356 S N 0.163 115.785 115.700 -0.130 0.000 2.616 356 S HA 0.578 5.049 4.470 0.001 0.000 0.277 356 S C 0.138 174.722 174.600 -0.026 0.000 1.234 356 S CA -0.048 58.105 58.200 -0.078 0.000 1.028 356 S CB 1.415 64.558 63.200 -0.095 0.000 0.988 356 S HN 0.623 nan 8.310 nan 0.000 0.522 357 G N 1.007 109.828 108.800 0.036 0.000 2.733 357 G HA2 -0.160 3.800 3.960 0.001 0.000 0.686 357 G HA3 -0.160 3.800 3.960 0.001 0.000 0.686 357 G C -1.378 173.635 174.900 0.188 0.000 1.373 357 G CA -0.758 44.413 45.100 0.118 0.000 0.838 357 G HN 0.651 nan 8.290 nan 0.000 0.588 358 Y N 3.711 124.059 120.300 0.080 0.000 2.491 358 Y HA 0.577 5.128 4.550 0.001 0.000 0.334 358 Y C -1.889 174.094 175.900 0.140 0.000 0.969 358 Y CA -3.035 55.104 58.100 0.064 0.000 1.241 358 Y CB 1.291 39.764 38.460 0.022 0.000 1.105 358 Y HN 0.532 nan 8.280 nan 0.000 0.503 359 P HA 0.149 nan 4.420 nan 0.000 0.279 359 P C -1.206 176.215 177.300 0.202 0.000 1.239 359 P CA -0.259 62.991 63.100 0.250 0.000 0.789 359 P CB 1.639 33.482 31.700 0.238 0.000 0.933 360 Q N 1.886 121.860 119.800 0.290 0.000 2.340 360 Q HA 0.453 4.794 4.340 0.001 0.000 0.268 360 Q C -1.505 174.752 176.000 0.428 0.000 1.031 360 Q CA -0.876 55.123 55.803 0.327 0.000 0.804 360 Q CB 1.714 30.702 28.738 0.417 0.000 1.286 360 Q HN 0.188 nan 8.270 nan 0.000 0.448 361 V N 4.363 124.508 119.914 0.384 0.000 2.481 361 V HA 0.349 4.469 4.120 0.001 0.000 0.286 361 V C -0.424 175.918 176.094 0.414 0.000 1.042 361 V CA -0.576 61.974 62.300 0.417 0.000 0.928 361 V CB 1.108 33.039 31.823 0.181 0.000 0.986 361 V HN 0.702 nan 8.190 nan 0.000 0.462 362 F N 4.351 124.450 119.950 0.249 0.000 2.411 362 F HA 0.322 4.850 4.527 0.001 0.000 0.350 362 F C 0.722 176.541 175.800 0.032 0.000 1.114 362 F CA -1.461 56.622 58.000 0.138 0.000 1.135 362 F CB 0.775 39.890 39.000 0.191 0.000 1.120 362 F HN 0.618 nan 8.300 nan 0.000 0.495 363 Y N 4.949 125.037 120.300 -0.353 0.000 2.151 363 Y HA -0.138 4.413 4.550 0.001 0.000 0.284 363 Y C 2.111 177.536 175.900 -0.793 0.000 1.166 363 Y CA 2.333 60.096 58.100 -0.562 0.000 1.163 363 Y CB -0.509 37.660 38.460 -0.485 0.000 0.974 363 Y HN 0.688 nan 8.280 nan 0.000 0.511 364 G N -0.645 107.309 108.800 -1.411 0.000 2.448 364 G HA2 -0.236 3.725 3.960 0.001 0.000 0.219 364 G HA3 -0.236 3.725 3.960 0.001 0.000 0.219 364 G C 1.261 175.855 174.900 -0.509 0.000 1.127 364 G CA 1.110 45.593 45.100 -1.029 0.000 0.766 364 G HN 0.400 nan 8.290 nan 0.000 0.552 365 D N -0.036 120.136 120.400 -0.380 0.000 2.194 365 D HA 0.015 4.656 4.640 0.001 0.000 0.204 365 D C 2.577 178.737 176.300 -0.233 0.000 0.964 365 D CA 0.431 54.400 54.000 -0.052 0.000 0.846 365 D CB -0.030 40.911 40.800 0.235 0.000 0.962 365 D HN 0.149 nan 8.370 nan 0.000 0.490 366 M N -0.454 118.869 119.600 -0.462 0.000 2.123 366 M HA -0.090 4.391 4.480 0.001 0.000 0.263 366 M C 1.318 177.251 176.300 -0.612 0.000 1.069 366 M CA 1.274 56.173 55.300 -0.669 0.000 1.133 366 M CB -0.636 31.300 32.600 -1.107 0.000 1.356 366 M HN 0.084 nan 8.290 nan 0.000 0.415 367 Y N -0.187 119.858 120.300 -0.425 0.000 2.467 367 Y HA 0.515 5.066 4.550 0.001 0.000 0.250 367 Y C 1.317 177.072 175.900 -0.242 0.000 1.155 367 Y CA -0.199 57.668 58.100 -0.388 0.000 1.249 367 Y CB -0.453 37.621 38.460 -0.643 0.000 1.146 367 Y HN 0.376 nan 8.280 nan 0.000 0.524 368 G N 0.695 109.440 108.800 -0.091 0.000 2.699 368 G HA2 -0.019 3.941 3.960 0.001 0.000 0.686 368 G HA3 -0.019 3.941 3.960 0.001 0.000 0.686 368 G C -0.301 174.604 174.900 0.008 0.000 1.301 368 G CA -0.570 44.518 45.100 -0.020 0.000 0.816 368 G HN 0.384 nan 8.290 nan 0.000 0.595 369 T N -1.771 112.820 114.554 0.061 0.000 2.895 369 T HA 0.743 5.094 4.350 0.001 0.000 0.283 369 T C 0.490 175.263 174.700 0.122 0.000 1.014 369 T CA -0.657 61.523 62.100 0.134 0.000 1.037 369 T CB 2.173 71.165 68.868 0.208 0.000 1.006 369 T HN 0.634 nan 8.240 nan 0.000 0.468 370 K N 1.518 122.022 120.400 0.173 0.000 2.681 370 K HA 0.282 4.603 4.320 0.001 0.000 0.211 370 K C 1.041 177.665 176.600 0.040 0.000 1.075 370 K CA -0.560 55.793 56.287 0.109 0.000 1.141 370 K CB 0.352 32.925 32.500 0.121 0.000 0.896 370 K HN 0.821 nan 8.250 nan 0.000 0.470 371 G N 1.364 110.075 108.800 -0.149 0.000 2.588 371 G HA2 0.031 3.992 3.960 0.001 0.000 0.278 371 G HA3 0.031 3.992 3.960 0.001 0.000 0.278 371 G C -0.181 174.525 174.900 -0.323 0.000 1.307 371 G CA -0.412 44.279 45.100 -0.681 0.000 1.016 371 G HN 0.290 nan 8.290 nan 0.000 0.503 372 D N -1.598 118.612 120.400 -0.317 0.000 2.772 372 D HA 0.283 4.924 4.640 0.001 0.000 0.272 372 D C 0.825 177.061 176.300 -0.107 0.000 1.314 372 D CA -0.323 53.590 54.000 -0.145 0.000 0.835 372 D CB 0.548 41.294 40.800 -0.090 0.000 1.080 372 D HN 0.391 nan 8.370 nan 0.000 0.482 373 S N -0.579 115.052 115.700 -0.114 0.000 2.713 373 S HA 0.203 4.674 4.470 0.001 0.000 0.277 373 S C 0.824 175.405 174.600 -0.032 0.000 1.168 373 S CA -0.771 57.393 58.200 -0.060 0.000 0.994 373 S CB 1.264 64.434 63.200 -0.050 0.000 1.054 373 S HN 0.051 nan 8.310 nan 0.000 0.555 374 Q N 0.215 120.009 119.800 -0.010 0.000 2.222 374 Q HA 0.163 4.504 4.340 0.001 0.000 0.206 374 Q C 0.294 176.304 176.000 0.018 0.000 0.877 374 Q CA 0.021 55.826 55.803 0.003 0.000 0.958 374 Q CB 0.192 28.934 28.738 0.008 0.000 1.075 374 Q HN 0.830 nan 8.270 nan 0.000 0.483 375 R N -0.787 119.724 120.500 0.019 0.000 2.661 375 R HA 0.302 4.643 4.340 0.001 0.000 0.429 375 R C -0.392 175.938 176.300 0.051 0.000 1.044 375 R CA -0.401 55.725 56.100 0.042 0.000 1.065 375 R CB 0.529 30.861 30.300 0.053 0.000 1.377 375 R HN -0.168 nan 8.270 nan 0.000 0.600 376 E N 1.550 121.771 120.200 0.034 0.000 2.422 376 E HA 0.093 4.443 4.350 0.001 0.000 0.260 376 E C 0.292 176.938 176.600 0.077 0.000 1.108 376 E CA -0.041 56.388 56.400 0.048 0.000 0.943 376 E CB 1.143 30.857 29.700 0.023 0.000 0.961 376 E HN 0.286 nan 8.360 nan 0.000 0.443 377 I N 4.132 124.764 120.570 0.104 0.000 2.496 377 I HA 0.081 4.252 4.170 0.001 0.000 0.285 377 I C -1.786 174.375 176.117 0.074 0.000 1.080 377 I CA -1.652 59.714 61.300 0.109 0.000 1.404 377 I CB 0.605 38.697 38.000 0.153 0.000 1.403 377 I HN 0.134 nan 8.210 nan 0.000 0.539 378 P HA 0.172 nan 4.420 nan 0.000 0.276 378 P C -0.837 176.490 177.300 0.044 0.000 1.252 378 P CA -0.580 62.555 63.100 0.058 0.000 0.802 378 P CB 0.825 32.569 31.700 0.074 0.000 1.035 379 A N 2.365 125.210 122.820 0.041 0.000 2.444 379 A HA 0.218 4.539 4.320 0.001 0.000 0.273 379 A C 0.827 178.461 177.584 0.083 0.000 1.136 379 A CA -0.075 51.977 52.037 0.026 0.000 0.799 379 A CB -0.985 18.040 19.000 0.041 0.000 1.081 379 A HN 0.569 nan 8.150 nan 0.000 0.509 380 L N 3.472 124.689 121.223 -0.009 0.000 2.910 380 L HA 0.102 4.443 4.340 0.001 0.000 0.252 380 L C 2.333 179.093 176.870 -0.184 0.000 1.195 380 L CA -0.016 54.776 54.840 -0.081 0.000 1.003 380 L CB 0.022 42.012 42.059 -0.114 0.000 1.328 380 L HN 0.984 nan 8.230 nan 0.000 0.540 381 K N 1.108 121.454 120.400 -0.090 0.000 2.160 381 K HA -0.260 4.060 4.320 0.001 0.000 0.206 381 K C 1.754 178.311 176.600 -0.072 0.000 1.047 381 K CA 2.086 58.293 56.287 -0.134 0.000 0.930 381 K CB -0.411 32.030 32.500 -0.098 0.000 0.720 381 K HN 0.528 nan 8.250 nan 0.000 0.450 382 H N 0.531 119.557 119.070 -0.073 0.000 2.457 382 H HA 0.083 4.640 4.556 0.001 0.000 0.294 382 H C 1.119 176.415 175.328 -0.053 0.000 1.064 382 H CA 0.786 56.809 56.048 -0.043 0.000 1.330 382 H CB -0.086 29.663 29.762 -0.022 0.000 1.395 382 H HN 0.144 nan 8.280 nan 0.000 0.541 383 K N 0.646 120.674 120.400 -0.620 0.000 2.314 383 K HA 0.182 4.503 4.320 0.001 0.000 0.198 383 K C 2.297 178.743 176.600 -0.257 0.000 1.045 383 K CA 0.257 56.299 56.287 -0.408 0.000 0.988 383 K CB 0.432 32.674 32.500 -0.430 0.000 0.783 383 K HN 0.395 nan 8.250 nan 0.000 0.484 384 I N 0.452 120.854 120.570 -0.280 0.000 2.867 384 I HA -0.087 4.084 4.170 0.001 0.000 0.265 384 I C 1.898 177.901 176.117 -0.191 0.000 1.162 384 I CA 0.449 61.575 61.300 -0.290 0.000 1.471 384 I CB -0.049 37.656 38.000 -0.491 0.000 1.123 384 I HN 0.092 nan 8.210 nan 0.000 0.440 385 E N 1.360 121.468 120.200 -0.153 0.000 2.086 385 E HA -0.231 4.119 4.350 0.001 0.000 0.200 385 E C -0.693 175.918 176.600 0.018 0.000 1.012 385 E CA 1.779 58.136 56.400 -0.071 0.000 0.812 385 E CB -0.955 28.728 29.700 -0.029 0.000 0.743 385 E HN 0.412 nan 8.360 nan 0.000 0.453 386 P HA -0.140 nan 4.420 nan 0.000 0.218 386 P C 1.120 178.412 177.300 -0.014 0.000 1.149 386 P CA 1.207 64.300 63.100 -0.012 0.000 0.817 386 P CB -0.030 31.637 31.700 -0.055 0.000 0.785 387 I N -1.638 118.914 120.570 -0.031 0.000 2.439 387 I HA -0.155 4.016 4.170 0.001 0.000 0.251 387 I C 2.279 178.413 176.117 0.029 0.000 1.139 387 I CA 0.972 62.270 61.300 -0.004 0.000 1.438 387 I CB -0.572 37.428 38.000 0.000 0.000 1.085 387 I HN -0.114 nan 8.210 nan 0.000 0.427 388 L N 0.896 122.130 121.223 0.017 0.000 2.093 388 L HA -0.195 4.145 4.340 0.001 0.000 0.208 388 L C 2.641 179.551 176.870 0.067 0.000 1.085 388 L CA 1.339 56.205 54.840 0.043 0.000 0.755 388 L CB -0.446 41.633 42.059 0.034 0.000 0.904 388 L HN 0.201 nan 8.230 nan 0.000 0.435 389 K N 0.516 120.963 120.400 0.079 0.000 2.057 389 K HA -0.190 4.131 4.320 0.001 0.000 0.207 389 K C 2.106 178.798 176.600 0.154 0.000 1.049 389 K CA 1.421 57.761 56.287 0.089 0.000 0.931 389 K CB -0.146 32.408 32.500 0.090 0.000 0.714 389 K HN 0.230 nan 8.250 nan 0.000 0.440 390 A N 1.424 124.331 122.820 0.145 0.000 1.908 390 A HA -0.205 4.116 4.320 0.001 0.000 0.218 390 A C 2.204 179.884 177.584 0.160 0.000 1.181 390 A CA 1.805 53.962 52.037 0.200 0.000 0.627 390 A CB -0.640 18.394 19.000 0.057 0.000 0.818 390 A HN 0.472 nan 8.150 nan 0.000 0.445 391 R N -0.129 120.419 120.500 0.081 0.000 2.066 391 R HA -0.142 4.199 4.340 0.001 0.000 0.232 391 R C 2.268 178.568 176.300 -0.000 0.000 1.131 391 R CA 1.901 58.007 56.100 0.011 0.000 0.955 391 R CB -0.272 30.045 30.300 0.027 0.000 0.851 391 R HN 0.510 nan 8.270 nan 0.000 0.432 392 K N 0.022 120.457 120.400 0.059 0.000 2.097 392 K HA -0.163 4.157 4.320 0.001 0.000 0.205 392 K C 1.650 178.339 176.600 0.150 0.000 1.050 392 K CA 1.870 58.210 56.287 0.088 0.000 0.938 392 K CB 0.186 32.706 32.500 0.033 0.000 0.718 392 K HN 0.334 nan 8.250 nan 0.000 0.442 393 Q N -1.995 117.830 119.800 0.042 0.000 2.350 393 Q HA 0.063 4.403 4.340 0.001 0.000 0.225 393 Q C 0.640 176.446 176.000 -0.324 0.000 0.878 393 Q CA 0.300 55.975 55.803 -0.213 0.000 0.935 393 Q CB 0.604 28.977 28.738 -0.609 0.000 1.099 393 Q HN 0.327 nan 8.270 nan 0.000 0.527 394 Y N -0.807 119.604 120.300 0.185 0.000 2.452 394 Y HA 0.409 4.960 4.550 0.002 0.000 0.262 394 Y C 0.834 176.781 175.900 0.078 0.000 1.089 394 Y CA -0.359 57.812 58.100 0.118 0.000 1.262 394 Y CB 0.773 39.205 38.460 -0.047 0.000 1.236 394 Y HN -0.084 nan 8.280 nan 0.000 0.512 395 A N 0.836 123.654 122.820 -0.003 0.000 3.037 395 A HA 0.423 4.744 4.320 0.001 0.000 0.272 395 A C -1.289 175.937 177.584 -0.597 0.000 1.723 395 A CA 0.276 52.193 52.037 -0.200 0.000 1.413 395 A CB -1.680 17.212 19.000 -0.180 0.000 1.112 395 A HN 0.341 nan 8.150 nan 0.000 0.606 396 Y N -0.239 120.095 120.300 0.056 0.000 2.581 396 Y HA 0.633 5.184 4.550 0.002 0.000 0.345 396 Y C 0.794 176.722 175.900 0.047 0.000 1.036 396 Y CA -0.086 58.033 58.100 0.032 0.000 1.042 396 Y CB 1.862 40.327 38.460 0.008 0.000 1.289 396 Y HN 1.059 nan 8.280 nan 0.000 0.471 397 G N 0.505 109.413 108.800 0.181 0.000 2.728 397 G HA2 0.226 4.187 3.960 0.001 0.000 0.294 397 G HA3 0.226 4.187 3.960 0.001 0.000 0.294 397 G C -0.609 174.332 174.900 0.068 0.000 1.342 397 G CA -0.718 44.455 45.100 0.122 0.000 0.866 397 G HN 1.205 nan 8.290 nan 0.000 0.534 398 A N -0.115 122.740 122.820 0.058 0.000 2.540 398 A HA 0.519 4.840 4.320 0.001 0.000 0.239 398 A C 0.680 178.213 177.584 -0.084 0.000 1.061 398 A CA 1.668 53.694 52.037 -0.017 0.000 0.758 398 A CB 0.481 19.494 19.000 0.022 0.000 0.991 398 A HN 1.224 nan 8.150 nan 0.000 0.502 399 Q N 1.106 120.785 119.800 -0.202 0.000 2.266 399 Q HA 0.452 4.793 4.340 0.001 0.000 0.261 399 Q C -1.286 174.437 176.000 -0.462 0.000 0.985 399 Q CA -0.583 55.116 55.803 -0.174 0.000 0.873 399 Q CB 0.892 29.586 28.738 -0.072 0.000 1.306 399 Q HN 0.874 nan 8.270 nan 0.000 0.447 400 H N 2.576 121.743 119.070 0.161 0.000 2.609 400 H HA 0.330 4.886 4.556 0.001 0.000 0.344 400 H C -1.294 174.098 175.328 0.107 0.000 1.040 400 H CA -0.750 55.355 56.048 0.094 0.000 1.216 400 H CB 1.758 31.630 29.762 0.183 0.000 1.529 400 H HN 0.630 nan 8.280 nan 0.000 0.519 401 D N 2.309 122.715 120.400 0.009 0.000 2.192 401 D HA 0.214 4.855 4.640 0.001 0.000 0.246 401 D C -0.530 175.724 176.300 -0.077 0.000 1.042 401 D CA -0.238 53.888 54.000 0.210 0.000 0.847 401 D CB 1.393 42.331 40.800 0.229 0.000 1.186 401 D HN 0.423 nan 8.370 nan 0.000 0.461 402 Y N 1.589 122.197 120.300 0.513 0.000 2.749 402 Y HA 0.315 4.865 4.550 0.001 0.000 0.343 402 Y C -0.420 175.617 175.900 0.227 0.000 1.015 402 Y CA -0.732 57.563 58.100 0.325 0.000 1.270 402 Y CB 0.393 38.963 38.460 0.184 0.000 1.097 402 Y HN 0.213 nan 8.280 nan 0.000 0.571 403 F N 2.234 122.344 119.950 0.266 0.000 2.532 403 F HA 0.239 4.767 4.527 0.002 0.000 0.313 403 F C 0.208 176.132 175.800 0.207 0.000 1.301 403 F CA -1.318 56.834 58.000 0.253 0.000 1.154 403 F CB 0.447 39.580 39.000 0.222 0.000 1.335 403 F HN 0.402 nan 8.300 nan 0.000 0.542 404 D N -1.350 119.238 120.400 0.312 0.000 2.501 404 D HA 0.072 4.712 4.640 0.001 0.000 0.226 404 D C 0.133 176.589 176.300 0.260 0.000 1.198 404 D CA 0.195 54.350 54.000 0.258 0.000 0.830 404 D CB -0.135 40.811 40.800 0.244 0.000 1.014 404 D HN 0.328 nan 8.370 nan 0.000 0.496 405 H N -0.091 119.052 119.070 0.122 0.000 2.996 405 H HA 0.126 4.683 4.556 0.001 0.000 0.368 405 H C 0.224 175.588 175.328 0.060 0.000 1.185 405 H CA -0.389 55.687 56.048 0.048 0.000 1.160 405 H CB 1.630 31.366 29.762 -0.043 0.000 1.820 405 H HN 0.063 nan 8.280 nan 0.000 0.547 406 H N 0.932 119.786 119.070 -0.359 0.000 2.546 406 H HA 0.071 4.627 4.556 0.001 0.000 0.277 406 H C -0.091 175.296 175.328 0.099 0.000 1.004 406 H CA 1.092 57.073 56.048 -0.112 0.000 1.231 406 H CB 0.550 30.207 29.762 -0.174 0.000 1.382 406 H HN 0.402 nan 8.280 nan 0.000 0.580 407 D N 0.613 121.062 120.400 0.081 0.000 3.208 407 D HA 0.175 4.815 4.640 0.001 0.000 0.281 407 D C 0.456 176.915 176.300 0.266 0.000 1.328 407 D CA 0.074 54.233 54.000 0.265 0.000 1.102 407 D CB 0.343 41.285 40.800 0.237 0.000 1.267 407 D HN 0.250 nan 8.370 nan 0.000 0.405 408 I N 3.028 123.739 120.570 0.235 0.000 2.322 408 I HA 0.181 4.352 4.170 0.001 0.000 0.292 408 I C 0.022 176.139 176.117 0.001 0.000 1.060 408 I CA -0.500 60.799 61.300 -0.003 0.000 1.309 408 I CB 0.720 38.570 38.000 -0.250 0.000 1.415 408 I HN -0.179 nan 8.210 nan 0.000 0.492 409 V N 2.899 122.782 119.914 -0.052 0.000 3.001 409 V HA 1.092 5.213 4.120 0.001 0.000 0.314 409 V C -0.080 175.858 176.094 -0.259 0.000 1.099 409 V CA -0.407 61.735 62.300 -0.262 0.000 0.989 409 V CB 1.647 33.119 31.823 -0.584 0.000 1.040 409 V HN 0.791 nan 8.190 nan 0.000 0.434 410 G N 1.116 109.766 108.800 -0.249 0.000 2.600 410 G HA2 0.794 4.755 3.960 0.001 0.000 0.293 410 G HA3 0.794 4.755 3.960 0.001 0.000 0.293 410 G C -1.940 173.129 174.900 0.282 0.000 1.408 410 G CA -0.188 44.787 45.100 -0.208 0.000 0.782 410 G HN 1.915 nan 8.290 nan 0.000 0.482 411 W N -0.960 120.447 121.300 0.178 0.000 3.066 411 W HA 0.748 5.409 4.660 0.001 0.000 0.330 411 W C -0.393 176.226 176.519 0.168 0.000 1.253 411 W CA -0.719 56.794 57.345 0.280 0.000 1.187 411 W CB 0.957 30.548 29.460 0.218 0.000 1.434 411 W HN 0.909 nan 8.180 nan 0.000 0.572 412 T N -0.517 114.271 114.554 0.390 0.000 2.916 412 T HA 0.803 5.154 4.350 0.001 0.000 0.292 412 T C -0.930 173.945 174.700 0.291 0.000 1.064 412 T CA -1.151 61.088 62.100 0.231 0.000 1.011 412 T CB 2.146 71.131 68.868 0.195 0.000 1.152 412 T HN 0.624 nan 8.240 nan 0.000 0.510 413 R N 1.229 121.868 120.500 0.232 0.000 2.532 413 R HA 0.359 4.700 4.340 0.001 0.000 0.297 413 R C 0.503 176.934 176.300 0.219 0.000 0.984 413 R CA -0.587 55.628 56.100 0.193 0.000 0.884 413 R CB 1.645 32.035 30.300 0.150 0.000 1.182 413 R HN 0.896 nan 8.270 nan 0.000 0.442 414 E N 1.159 121.478 120.200 0.199 0.000 2.347 414 E HA 0.043 4.394 4.350 0.001 0.000 0.196 414 E C 0.560 177.278 176.600 0.197 0.000 1.008 414 E CA 0.750 57.258 56.400 0.178 0.000 0.852 414 E CB 0.178 29.966 29.700 0.147 0.000 0.783 414 E HN 0.900 nan 8.360 nan 0.000 0.505 415 G N 1.407 110.323 108.800 0.193 0.000 2.662 415 G HA2 -0.175 3.786 3.960 0.001 0.000 0.686 415 G HA3 -0.175 3.786 3.960 0.001 0.000 0.686 415 G C -1.395 173.596 174.900 0.152 0.000 1.271 415 G CA -0.298 44.917 45.100 0.192 0.000 0.816 415 G HN 0.135 nan 8.290 nan 0.000 0.608 416 D N -0.646 119.827 120.400 0.122 0.000 2.780 416 D HA 0.524 5.165 4.640 0.001 0.000 0.242 416 D C 1.632 177.939 176.300 0.012 0.000 1.135 416 D CA 0.262 54.304 54.000 0.069 0.000 0.859 416 D CB 1.840 42.685 40.800 0.076 0.000 1.530 416 D HN 0.864 nan 8.370 nan 0.000 0.493 417 S N 1.778 117.486 115.700 0.013 0.000 2.465 417 S HA -0.194 4.277 4.470 0.001 0.000 0.241 417 S C 1.620 176.196 174.600 -0.040 0.000 1.000 417 S CA 1.624 59.822 58.200 -0.004 0.000 0.964 417 S CB -0.325 62.880 63.200 0.007 0.000 0.763 417 S HN 0.421 nan 8.310 nan 0.000 0.512 418 S N 0.024 115.685 115.700 -0.065 0.000 2.562 418 S HA 0.236 4.707 4.470 0.001 0.000 0.221 418 S C 0.353 174.853 174.600 -0.166 0.000 0.975 418 S CA -0.131 58.009 58.200 -0.100 0.000 0.918 418 S CB -0.248 62.893 63.200 -0.097 0.000 0.772 418 S HN 0.329 nan 8.310 nan 0.000 0.531 419 V N 2.262 122.054 119.914 -0.202 0.000 2.376 419 V HA 0.701 4.822 4.120 0.001 0.000 0.287 419 V C 0.396 176.385 176.094 -0.176 0.000 1.015 419 V CA -1.052 61.075 62.300 -0.288 0.000 0.834 419 V CB 0.542 32.026 31.823 -0.564 0.000 1.001 419 V HN 0.499 nan 8.190 nan 0.000 0.428 420 A N 4.539 127.272 122.820 -0.145 0.000 2.546 420 A HA 0.280 4.601 4.320 0.001 0.000 0.243 420 A C 1.200 178.737 177.584 -0.079 0.000 1.063 420 A CA 0.367 52.352 52.037 -0.088 0.000 0.757 420 A CB -0.385 18.569 19.000 -0.078 0.000 0.991 420 A HN 1.080 nan 8.150 nan 0.000 0.503 421 N N -0.126 118.571 118.700 -0.005 0.000 2.753 421 N HA -0.194 4.546 4.740 0.001 0.000 0.251 421 N C 0.415 175.989 175.510 0.108 0.000 1.097 421 N CA 1.287 54.373 53.050 0.059 0.000 0.786 421 N CB -2.026 36.507 38.487 0.077 0.000 1.137 421 N HN 1.105 nan 8.380 nan 0.000 0.566 422 S N -0.317 115.418 115.700 0.058 0.000 2.600 422 S HA 0.625 5.096 4.470 0.001 0.000 0.265 422 S C 0.919 175.631 174.600 0.187 0.000 1.325 422 S CA 0.377 58.666 58.200 0.150 0.000 1.002 422 S CB 2.054 65.332 63.200 0.129 0.000 0.921 422 S HN 1.113 nan 8.310 nan 0.000 0.554 423 G N -0.220 108.698 108.800 0.196 0.000 2.627 423 G HA2 0.456 4.417 3.960 0.001 0.000 0.680 423 G HA3 0.456 4.417 3.960 0.001 0.000 0.680 423 G C -1.441 173.358 174.900 -0.168 0.000 1.341 423 G CA -0.501 44.675 45.100 0.127 0.000 0.835 423 G HN 1.892 nan 8.290 nan 0.000 0.643 424 L N -1.403 119.812 121.223 -0.015 0.000 2.671 424 L HA 1.066 5.407 4.340 0.001 0.000 0.259 424 L C -0.259 176.669 176.870 0.097 0.000 1.021 424 L CA -0.842 53.919 54.840 -0.132 0.000 0.871 424 L CB 1.400 43.389 42.059 -0.118 0.000 1.472 424 L HN 2.362 nan 8.230 nan 0.000 0.410 425 A N 0.743 123.536 122.820 -0.045 0.000 2.357 425 A HA 0.992 5.313 4.320 0.001 0.000 0.295 425 A C -0.562 176.773 177.584 -0.415 0.000 1.121 425 A CA 0.084 51.889 52.037 -0.387 0.000 0.742 425 A CB 1.110 19.384 19.000 -1.210 0.000 1.181 425 A HN 1.602 nan 8.150 nan 0.000 0.454 426 A N 2.603 125.056 122.820 -0.611 0.000 2.337 426 A HA 0.840 5.161 4.320 0.001 0.000 0.329 426 A C -0.847 176.253 177.584 -0.808 0.000 1.146 426 A CA -0.432 51.156 52.037 -0.749 0.000 0.800 426 A CB 0.867 19.195 19.000 -1.120 0.000 1.220 426 A HN 0.896 nan 8.150 nan 0.000 0.472 427 L N 3.128 124.054 121.223 -0.495 0.000 2.436 427 L HA 0.640 4.981 4.340 0.001 0.000 0.268 427 L C -0.918 175.817 176.870 -0.225 0.000 0.974 427 L CA -0.602 54.038 54.840 -0.333 0.000 0.826 427 L CB 1.917 43.898 42.059 -0.130 0.000 1.291 427 L HN 0.844 nan 8.230 nan 0.000 0.406 428 I N -0.198 120.282 120.570 -0.149 0.000 2.828 428 I HA 0.798 4.969 4.170 0.001 0.000 0.302 428 I C -0.823 175.322 176.117 0.048 0.000 1.101 428 I CA -0.541 60.742 61.300 -0.029 0.000 1.031 428 I CB 2.563 40.590 38.000 0.044 0.000 1.231 428 I HN 0.494 nan 8.210 nan 0.000 0.427 429 T N 1.396 116.013 114.554 0.105 0.000 3.105 429 T HA 0.236 4.587 4.350 0.001 0.000 0.321 429 T C -0.400 174.492 174.700 0.320 0.000 1.135 429 T CA -0.463 61.746 62.100 0.182 0.000 1.053 429 T CB 1.340 70.278 68.868 0.117 0.000 1.133 429 T HN 0.885 nan 8.240 nan 0.000 0.463 430 D N 2.567 123.222 120.400 0.424 0.000 2.328 430 D HA 0.267 4.908 4.640 0.001 0.000 0.221 430 D C 0.906 177.456 176.300 0.416 0.000 1.072 430 D CA -0.067 54.313 54.000 0.635 0.000 0.850 430 D CB 0.274 41.464 40.800 0.650 0.000 0.922 430 D HN 0.644 nan 8.370 nan 0.000 0.516 431 G N -0.115 108.850 108.800 0.274 0.000 3.195 431 G HA2 0.500 4.461 3.960 0.001 0.000 0.217 431 G HA3 0.500 4.461 3.960 0.001 0.000 0.217 431 G C -2.858 172.113 174.900 0.118 0.000 1.166 431 G CA -1.200 44.002 45.100 0.170 0.000 0.812 431 G HN -0.082 nan 8.290 nan 0.000 0.617 432 P HA 0.243 nan 4.420 nan 0.000 0.268 432 P C 0.588 177.919 177.300 0.052 0.000 1.208 432 P CA 0.260 63.398 63.100 0.063 0.000 0.777 432 P CB 0.608 32.346 31.700 0.063 0.000 0.875 433 G N 0.583 109.409 108.800 0.044 0.000 2.611 433 G HA2 0.538 4.499 3.960 0.001 0.000 0.273 433 G HA3 0.538 4.499 3.960 0.001 0.000 0.273 433 G C 0.063 174.974 174.900 0.017 0.000 1.305 433 G CA 0.086 45.210 45.100 0.040 0.000 1.010 433 G HN 0.760 nan 8.290 nan 0.000 0.509 434 G N -2.251 106.565 108.800 0.027 0.000 2.335 434 G HA2 0.662 4.623 3.960 0.001 0.000 0.291 434 G HA3 0.662 4.623 3.960 0.001 0.000 0.291 434 G C -1.223 173.672 174.900 -0.009 0.000 1.261 434 G CA 0.288 45.391 45.100 0.004 0.000 0.871 434 G HN 1.706 nan 8.290 nan 0.000 0.491 435 A N -0.556 122.196 122.820 -0.113 0.000 2.479 435 A HA 0.945 5.266 4.320 0.001 0.000 0.296 435 A C -0.708 176.739 177.584 -0.229 0.000 1.121 435 A CA -0.499 51.354 52.037 -0.306 0.000 0.743 435 A CB 2.195 20.869 19.000 -0.542 0.000 1.323 435 A HN 0.870 nan 8.150 nan 0.000 0.415 436 K N 0.863 121.123 120.400 -0.233 0.000 2.550 436 K HA 0.324 4.645 4.320 0.001 0.000 0.252 436 K C -1.155 175.367 176.600 -0.130 0.000 0.943 436 K CA -0.641 55.555 56.287 -0.152 0.000 0.806 436 K CB 1.653 34.077 32.500 -0.127 0.000 1.289 436 K HN 0.754 nan 8.250 nan 0.000 0.435 437 R N 4.161 124.606 120.500 -0.093 0.000 2.298 437 R HA 0.369 4.709 4.340 0.001 0.000 0.310 437 R C -0.400 175.938 176.300 0.063 0.000 1.068 437 R CA 0.151 56.250 56.100 -0.002 0.000 0.957 437 R CB 0.711 31.017 30.300 0.010 0.000 1.003 437 R HN 0.600 nan 8.270 nan 0.000 0.454 438 M N 2.828 122.495 119.600 0.112 0.000 2.501 438 M HA 0.223 4.704 4.480 0.001 0.000 0.293 438 M C -1.205 174.955 176.300 -0.233 0.000 1.192 438 M CA -1.053 54.080 55.300 -0.277 0.000 0.886 438 M CB 2.435 34.731 32.600 -0.506 0.000 1.710 438 M HN 0.395 nan 8.290 nan 0.000 0.457 439 Y N 1.869 121.669 120.300 -0.833 0.000 2.327 439 Y HA 0.448 4.999 4.550 0.001 0.000 0.336 439 Y C 0.357 175.943 175.900 -0.524 0.000 1.035 439 Y CA -0.347 57.046 58.100 -1.178 0.000 1.165 439 Y CB 0.988 38.439 38.460 -1.681 0.000 1.181 439 Y HN 0.419 nan 8.280 nan 0.000 0.494 440 V N 2.636 121.991 119.914 -0.933 0.000 3.380 440 V HA 0.669 4.790 4.120 0.001 0.000 0.307 440 V C 0.380 176.062 176.094 -0.687 0.000 1.434 440 V CA 0.192 62.153 62.300 -0.566 0.000 1.075 440 V CB -0.273 31.308 31.823 -0.404 0.000 0.954 440 V HN 1.359 nan 8.190 nan 0.000 0.444 441 G N 1.662 109.576 108.800 -1.477 0.000 3.355 441 G HA2 -0.126 3.835 3.960 0.001 0.000 0.686 441 G HA3 -0.126 3.835 3.960 0.001 0.000 0.686 441 G C 0.272 174.922 174.900 -0.418 0.000 1.097 441 G CA -0.007 44.593 45.100 -0.835 0.000 0.881 441 G HN 0.533 nan 8.290 nan 0.000 0.550 442 R N 2.143 122.570 120.500 -0.123 0.000 2.200 442 R HA -0.157 4.184 4.340 0.001 0.000 0.234 442 R C 2.322 178.621 176.300 -0.003 0.000 1.127 442 R CA 2.212 58.322 56.100 0.017 0.000 0.989 442 R CB -0.183 30.201 30.300 0.139 0.000 0.869 442 R HN 0.860 nan 8.270 nan 0.000 0.459 443 Q N -0.208 119.593 119.800 0.001 0.000 2.515 443 Q HA -0.050 4.291 4.340 0.001 0.000 0.212 443 Q C 0.020 176.037 176.000 0.029 0.000 0.970 443 Q CA 0.819 56.638 55.803 0.026 0.000 0.941 443 Q CB -0.162 28.603 28.738 0.045 0.000 0.998 443 Q HN 0.302 nan 8.270 nan 0.000 0.518 444 N N 0.882 119.575 118.700 -0.013 0.000 2.203 444 N HA 0.209 4.950 4.740 0.001 0.000 0.207 444 N C -0.209 175.260 175.510 -0.069 0.000 1.130 444 N CA 0.405 53.462 53.050 0.013 0.000 0.861 444 N CB 0.735 39.231 38.487 0.015 0.000 1.005 444 N HN 0.287 nan 8.380 nan 0.000 0.507 445 A N 0.139 122.924 122.820 -0.059 0.000 2.565 445 A HA 0.387 4.707 4.320 0.001 0.000 0.237 445 A C 1.482 179.043 177.584 -0.038 0.000 1.053 445 A CA 1.000 53.002 52.037 -0.058 0.000 0.755 445 A CB -0.324 18.667 19.000 -0.015 0.000 0.980 445 A HN 0.459 nan 8.150 nan 0.000 0.506 446 G N 1.559 110.325 108.800 -0.057 0.000 2.179 446 G HA2 -0.224 3.737 3.960 0.001 0.000 0.260 446 G HA3 -0.224 3.737 3.960 0.001 0.000 0.260 446 G C 0.058 174.954 174.900 -0.007 0.000 0.977 446 G CA 0.623 45.705 45.100 -0.029 0.000 0.641 446 G HN 0.916 nan 8.290 nan 0.000 0.533 447 E N 0.552 120.749 120.200 -0.006 0.000 2.349 447 E HA 0.487 4.838 4.350 0.001 0.000 0.265 447 E C -0.223 176.443 176.600 0.110 0.000 1.064 447 E CA -0.045 56.419 56.400 0.106 0.000 0.886 447 E CB 0.764 30.642 29.700 0.295 0.000 1.036 447 E HN 0.105 nan 8.360 nan 0.000 0.413 448 T N 2.258 116.937 114.554 0.210 0.000 2.744 448 T HA 0.237 4.588 4.350 0.001 0.000 0.291 448 T C -1.079 173.879 174.700 0.430 0.000 0.957 448 T CA -0.540 61.683 62.100 0.206 0.000 1.002 448 T CB 0.154 69.083 68.868 0.102 0.000 0.919 448 T HN 0.245 nan 8.240 nan 0.000 0.468 449 W N 4.151 125.513 121.300 0.103 0.000 2.627 449 W HA 0.497 5.158 4.660 0.001 0.000 0.339 449 W C 0.250 177.000 176.519 0.386 0.000 1.058 449 W CA -0.737 56.738 57.345 0.216 0.000 1.223 449 W CB 0.885 30.515 29.460 0.285 0.000 1.389 449 W HN 0.676 nan 8.180 nan 0.000 0.541 450 H N -0.616 118.652 119.070 0.330 0.000 2.928 450 H HA 0.310 4.867 4.556 0.001 0.000 0.371 450 H C -1.152 174.132 175.328 -0.074 0.000 1.186 450 H CA -1.578 54.603 56.048 0.222 0.000 1.134 450 H CB 0.865 30.682 29.762 0.091 0.000 1.824 450 H HN 0.246 nan 8.280 nan 0.000 0.554 451 D N 1.610 121.736 120.400 -0.456 0.000 2.342 451 D HA 0.002 4.643 4.640 0.001 0.000 0.260 451 D C 1.170 177.092 176.300 -0.631 0.000 1.278 451 D CA -0.119 53.428 54.000 -0.755 0.000 0.910 451 D CB -0.004 40.352 40.800 -0.740 0.000 1.079 451 D HN 0.634 nan 8.370 nan 0.000 0.496 452 I N 3.026 123.250 120.570 -0.577 0.000 2.700 452 I HA -0.237 3.934 4.170 0.001 0.000 0.261 452 I C 1.777 177.719 176.117 -0.292 0.000 1.219 452 I CA 1.266 62.292 61.300 -0.456 0.000 1.463 452 I CB 0.128 37.911 38.000 -0.362 0.000 1.092 452 I HN 0.500 nan 8.210 nan 0.000 0.452 453 T N -2.741 111.647 114.554 -0.277 0.000 3.067 453 T HA 0.134 4.485 4.350 0.001 0.000 0.261 453 T C 1.596 176.201 174.700 -0.157 0.000 1.110 453 T CA 0.669 62.657 62.100 -0.186 0.000 1.113 453 T CB 0.155 68.920 68.868 -0.172 0.000 0.917 453 T HN 0.521 nan 8.240 nan 0.000 0.499 454 G N 1.640 110.323 108.800 -0.195 0.000 2.179 454 G HA2 -0.314 3.647 3.960 0.001 0.000 0.260 454 G HA3 -0.314 3.647 3.960 0.001 0.000 0.260 454 G C 0.924 175.766 174.900 -0.097 0.000 0.977 454 G CA 0.338 45.358 45.100 -0.133 0.000 0.641 454 G HN 0.510 nan 8.290 nan 0.000 0.533 455 N N 0.085 118.718 118.700 -0.112 0.000 2.244 455 N HA 0.001 4.742 4.740 0.001 0.000 0.183 455 N C 1.148 176.629 175.510 -0.048 0.000 1.016 455 N CA 0.930 53.940 53.050 -0.067 0.000 0.866 455 N CB -0.006 38.443 38.487 -0.062 0.000 0.980 455 N HN 0.531 nan 8.380 nan 0.000 0.430 456 R N -0.103 120.353 120.500 -0.073 0.000 2.599 456 R HA 0.299 4.640 4.340 0.001 0.000 0.295 456 R C 0.425 176.719 176.300 -0.011 0.000 0.963 456 R CA -0.173 55.919 56.100 -0.013 0.000 0.883 456 R CB 1.629 31.957 30.300 0.047 0.000 1.171 456 R HN 0.091 nan 8.270 nan 0.000 0.450 457 S N 0.416 116.130 115.700 0.024 0.000 2.492 457 S HA 0.011 4.482 4.470 0.001 0.000 0.218 457 S C 0.083 174.732 174.600 0.083 0.000 1.016 457 S CA -0.222 58.002 58.200 0.039 0.000 0.916 457 S CB 0.138 63.354 63.200 0.027 0.000 0.791 457 S HN 0.516 nan 8.310 nan 0.000 0.513 458 E N 3.810 124.064 120.200 0.090 0.000 2.316 458 E HA 0.399 4.750 4.350 0.001 0.000 0.275 458 E C -2.343 174.377 176.600 0.200 0.000 1.029 458 E CA -1.926 54.535 56.400 0.103 0.000 0.871 458 E CB -0.168 29.560 29.700 0.047 0.000 1.022 458 E HN 0.262 nan 8.360 nan 0.000 0.418 459 P HA 0.257 nan 4.420 nan 0.000 0.279 459 P C -0.764 176.649 177.300 0.189 0.000 1.276 459 P CA -0.621 62.642 63.100 0.273 0.000 0.801 459 P CB 0.782 32.604 31.700 0.203 0.000 1.127 460 V N 0.154 120.175 119.914 0.178 0.000 2.588 460 V HA 0.252 4.373 4.120 0.001 0.000 0.304 460 V C 0.009 176.062 176.094 -0.069 0.000 1.042 460 V CA -0.773 61.491 62.300 -0.060 0.000 0.877 460 V CB 2.117 33.728 31.823 -0.354 0.000 0.996 460 V HN 0.224 nan 8.190 nan 0.000 0.425 461 V N 5.588 125.420 119.914 -0.135 0.000 2.394 461 V HA 0.416 4.536 4.120 0.001 0.000 0.282 461 V C 0.049 176.002 176.094 -0.235 0.000 1.031 461 V CA -0.646 61.576 62.300 -0.129 0.000 0.881 461 V CB 1.618 33.396 31.823 -0.074 0.000 0.982 461 V HN 0.574 nan 8.190 nan 0.000 0.451 462 I N 5.615 126.011 120.570 -0.291 0.000 2.533 462 I HA 0.136 4.307 4.170 0.001 0.000 0.284 462 I C 0.691 176.702 176.117 -0.176 0.000 1.109 462 I CA -0.057 61.044 61.300 -0.331 0.000 1.412 462 I CB 0.331 38.053 38.000 -0.463 0.000 1.396 462 I HN 0.859 nan 8.210 nan 0.000 0.543 463 N N 4.267 122.896 118.700 -0.118 0.000 2.294 463 N HA 0.007 4.748 4.740 0.001 0.000 0.248 463 N C 0.991 176.498 175.510 -0.005 0.000 1.300 463 N CA 0.129 53.152 53.050 -0.045 0.000 0.925 463 N CB 0.118 38.593 38.487 -0.019 0.000 1.188 463 N HN 0.531 nan 8.380 nan 0.000 0.512 464 S N -1.661 114.047 115.700 0.014 0.000 2.400 464 S HA -0.138 4.333 4.470 0.001 0.000 0.232 464 S C 1.575 176.222 174.600 0.078 0.000 1.025 464 S CA 0.836 59.054 58.200 0.031 0.000 0.993 464 S CB -0.945 62.269 63.200 0.023 0.000 0.808 464 S HN 0.821 nan 8.310 nan 0.000 0.478 465 A N 0.549 123.455 122.820 0.144 0.000 2.278 465 A HA 0.582 4.903 4.320 0.001 0.000 0.212 465 A C 1.613 179.426 177.584 0.382 0.000 1.213 465 A CA 0.411 52.607 52.037 0.265 0.000 0.840 465 A CB -1.146 18.031 19.000 0.296 0.000 0.866 465 A HN 1.578 nan 8.150 nan 0.000 0.489 466 G N -2.550 106.355 108.800 0.174 0.000 2.136 466 G HA2 -0.255 3.706 3.960 0.001 0.000 0.242 466 G HA3 -0.255 3.706 3.960 0.001 0.000 0.242 466 G C -0.279 174.485 174.900 -0.226 0.000 0.989 466 G CA 0.185 45.243 45.100 -0.071 0.000 0.682 466 G HN 0.422 nan 8.290 nan 0.000 0.522 467 W N -0.356 120.909 121.300 -0.057 0.000 2.578 467 W HA 0.704 5.365 4.660 0.001 0.000 0.346 467 W C 0.550 176.918 176.519 -0.253 0.000 1.075 467 W CA 0.122 57.419 57.345 -0.080 0.000 1.233 467 W CB 2.008 31.449 29.460 -0.032 0.000 1.358 467 W HN 0.569 nan 8.180 nan 0.000 0.574 468 G N 0.505 109.226 108.800 -0.133 0.000 2.612 468 G HA2 0.505 4.466 3.960 0.001 0.000 0.298 468 G HA3 0.505 4.466 3.960 0.001 0.000 0.298 468 G C -1.882 172.528 174.900 -0.817 0.000 1.336 468 G CA -0.829 43.861 45.100 -0.683 0.000 0.953 468 G HN 0.391 nan 8.290 nan 0.000 0.482 469 E N 0.983 120.670 120.200 -0.855 0.000 2.063 469 E HA 0.481 4.832 4.350 0.001 0.000 0.265 469 E C -1.058 175.035 176.600 -0.844 0.000 0.919 469 E CA -0.582 55.442 56.400 -0.626 0.000 0.756 469 E CB 0.459 29.944 29.700 -0.358 0.000 1.120 469 E HN 0.232 nan 8.360 nan 0.000 0.414 470 F N 2.657 122.333 119.950 -0.457 0.000 2.397 470 F HA 0.384 4.911 4.527 0.001 0.000 0.331 470 F C 0.855 176.354 175.800 -0.501 0.000 1.090 470 F CA -0.544 57.129 58.000 -0.545 0.000 1.065 470 F CB 1.002 39.672 39.000 -0.550 0.000 1.184 470 F HN 0.405 nan 8.300 nan 0.000 0.499 471 H N 0.562 119.698 119.070 0.110 0.000 2.670 471 H HA 0.736 5.293 4.556 0.001 0.000 0.361 471 H C -1.069 174.382 175.328 0.204 0.000 1.169 471 H CA -0.859 55.266 56.048 0.129 0.000 1.198 471 H CB 2.611 32.432 29.762 0.099 0.000 1.700 471 H HN 0.485 nan 8.280 nan 0.000 0.542 472 V N 2.277 122.319 119.914 0.214 0.000 2.971 472 V HA 0.225 4.346 4.120 0.001 0.000 0.309 472 V C -0.880 175.275 176.094 0.102 0.000 1.130 472 V CA -0.816 61.564 62.300 0.134 0.000 0.964 472 V CB 2.340 34.200 31.823 0.062 0.000 1.029 472 V HN 0.727 nan 8.190 nan 0.000 0.427 473 N N 2.647 121.392 118.700 0.075 0.000 2.434 473 N HA 0.417 5.158 4.740 0.001 0.000 0.266 473 N C 0.273 175.821 175.510 0.064 0.000 1.223 473 N CA 0.414 53.501 53.050 0.061 0.000 0.972 473 N CB 1.217 39.732 38.487 0.046 0.000 1.207 473 N HN 0.976 nan 8.380 nan 0.000 0.525 474 G N -1.374 107.460 108.800 0.058 0.000 2.380 474 G HA2 0.348 4.309 3.960 0.001 0.000 0.242 474 G HA3 0.348 4.309 3.960 0.001 0.000 0.242 474 G C 0.843 175.801 174.900 0.097 0.000 1.298 474 G CA 0.144 45.285 45.100 0.067 0.000 0.878 474 G HN 0.790 nan 8.290 nan 0.000 0.542 475 G N -0.103 108.794 108.800 0.162 0.000 2.356 475 G HA2 -0.001 3.959 3.960 0.001 0.000 0.296 475 G HA3 -0.001 3.959 3.960 0.001 0.000 0.296 475 G C 0.402 175.487 174.900 0.309 0.000 1.022 475 G CA 1.030 46.323 45.100 0.322 0.000 0.961 475 G HN 1.427 nan 8.290 nan 0.000 0.510 476 S N -2.348 113.457 115.700 0.176 0.000 2.705 476 S HA 0.810 5.281 4.470 0.001 0.000 0.280 476 S C -0.736 173.869 174.600 0.009 0.000 1.174 476 S CA 0.145 58.396 58.200 0.084 0.000 0.823 476 S CB 2.299 65.537 63.200 0.063 0.000 1.162 476 S HN 1.618 nan 8.310 nan 0.000 0.487 477 V N 1.135 121.026 119.914 -0.038 0.000 2.789 477 V HA 0.897 5.017 4.120 0.001 0.000 0.311 477 V C -1.125 174.909 176.094 -0.100 0.000 1.073 477 V CA -0.074 62.178 62.300 -0.080 0.000 0.921 477 V CB 1.986 33.747 31.823 -0.104 0.000 1.009 477 V HN 0.848 nan 8.190 nan 0.000 0.426 478 S N 6.016 121.640 115.700 -0.126 0.000 2.547 478 S HA 0.722 5.192 4.470 0.001 0.000 0.281 478 S C -0.981 173.470 174.600 -0.249 0.000 1.118 478 S CA -0.409 57.667 58.200 -0.207 0.000 0.947 478 S CB 1.467 64.595 63.200 -0.120 0.000 1.053 478 S HN 0.650 nan 8.310 nan 0.000 0.482 479 I N 3.601 123.959 120.570 -0.353 0.000 2.448 479 I HA 0.340 4.511 4.170 0.001 0.000 0.281 479 I C -1.459 174.451 176.117 -0.344 0.000 1.027 479 I CA -0.572 60.561 61.300 -0.278 0.000 1.111 479 I CB 1.045 38.916 38.000 -0.215 0.000 1.236 479 I HN 0.544 nan 8.210 nan 0.000 0.452 480 Y N 5.855 126.044 120.300 -0.185 0.000 2.308 480 Y HA 0.592 5.142 4.550 0.001 0.000 0.329 480 Y C 0.381 176.115 175.900 -0.277 0.000 1.111 480 Y CA -0.704 57.358 58.100 -0.062 0.000 1.179 480 Y CB 1.503 40.121 38.460 0.265 0.000 1.201 480 Y HN 0.327 nan 8.280 nan 0.000 0.483 481 V N 0.066 119.796 119.914 -0.307 0.000 3.159 481 V HA 0.477 4.598 4.120 0.001 0.000 0.308 481 V C -0.704 174.924 176.094 -0.778 0.000 1.190 481 V CA -1.547 60.198 62.300 -0.925 0.000 1.037 481 V CB 1.779 32.836 31.823 -1.275 0.000 1.060 481 V HN 0.735 nan 8.190 nan 0.000 0.437 482 Q N 1.808 120.964 119.800 -1.073 0.000 2.286 482 Q HA 0.186 4.527 4.340 0.001 0.000 0.290 482 Q C 0.444 176.327 176.000 -0.195 0.000 1.049 482 Q CA 0.105 55.614 55.803 -0.490 0.000 0.923 482 Q CB 0.579 29.192 28.738 -0.208 0.000 1.183 482 Q HN 0.762 nan 8.270 nan 0.000 0.383 483 R N 0.000 120.379 120.500 -0.201 0.000 2.786 483 R HA 0.000 4.341 4.340 0.001 0.000 0.208 483 R CA 0.000 55.818 56.100 -0.470 0.000 0.921 483 R CB 0.000 30.008 30.300 -0.486 0.000 0.687 483 R HN 0.000 nan 8.270 nan 0.000 0.535