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 1y9g_1_A DATA FIRST_RESID 20 DATA SEQUENCE FNYDQPYRGQ YHFSPQKNWM NDPNGLLYHN GTYHLFFQYN PGGIEWGNIS DATA SEQUENCE WGHAISEDLT HWEEKPVALL ARGFGSDVTE MYFSGSAVAD VNNTSGFGKD DATA SEQUENCE GKTPLVAMYT SYYPVAQTLP SGQTVQEDQQ SQSIAYSLDD GLTWTTYDAA DATA SEQUENCE NPVIPNPPSP YEAEYQNFRD PFVFWHDESQ KWVVVTSIAE LHKLAIYTSD DATA SEQUENCE NLKDWKLVSE FGPYNAQGGV WECPGLVKLP LDSGNSTKWV ITSGLNPGGP DATA SEQUENCE PGTVGSGTQY FVGEFDGTTF TPDADTVYPG NSTANWMDWG PDFYAAAGYN DATA SEQUENCE GLSLNDHVHI GWMNNWQYGA NIPTYPWRSA MAIPRHMALK TIGSKATLVQ DATA SEQUENCE QPQEAWSSIS NKRPIYSRTF KTLSEGSTNT TTTGETFKVD LSFSAKSKAS DATA SEQUENCE TFAIALRASA NFTEQTLVGY DFAKQQIFLD RTHSGDVSFD ETFASVYHGP DATA SEQUENCE LTPDSTGVVK LSIFVDRSSV EVFGGQGETT LTAQIFPSSD AVHARLASTG DATA SEQUENCE GTTEDVRADI YKIASTW 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 20 F HA 0.000 nan 4.527 nan 0.000 0.279 20 F C 0.000 175.727 175.800 -0.121 0.000 0.967 20 F CA 0.000 57.918 58.000 -0.137 0.000 1.383 20 F CB 0.000 38.788 39.000 -0.353 0.000 1.145 21 N N 4.190 122.459 118.700 -0.717 0.000 2.439 21 N HA 0.225 4.891 4.740 -0.124 0.000 0.249 21 N C -0.807 174.366 175.510 -0.561 0.000 1.003 21 N CA -0.102 52.700 53.050 -0.414 0.000 0.942 21 N CB 0.360 38.643 38.487 -0.341 0.000 1.115 21 N HN 0.616 nan 8.380 nan 0.000 0.505 22 Y N 0.658 120.821 120.300 -0.228 0.000 2.583 22 Y HA 0.143 4.618 4.550 -0.124 0.000 0.294 22 Y C 0.468 176.259 175.900 -0.182 0.000 1.170 22 Y CA -0.496 57.439 58.100 -0.275 0.000 1.265 22 Y CB 0.231 38.289 38.460 -0.670 0.000 1.119 22 Y HN 0.463 nan 8.280 nan 0.000 0.522 23 D N 1.523 121.927 120.400 0.007 0.000 2.558 23 D HA 0.136 4.701 4.640 -0.124 0.000 0.221 23 D C -0.643 175.669 176.300 0.021 0.000 1.143 23 D CA 0.051 54.071 54.000 0.034 0.000 1.010 23 D CB -0.081 40.739 40.800 0.033 0.000 1.068 23 D HN 0.222 nan 8.370 nan 0.000 0.511 24 Q N 1.948 121.777 119.800 0.048 0.000 2.348 24 Q HA 0.545 4.811 4.340 -0.124 0.000 0.271 24 Q C -2.355 173.715 176.000 0.117 0.000 1.067 24 Q CA -2.146 53.724 55.803 0.111 0.000 0.839 24 Q CB 1.678 30.569 28.738 0.255 0.000 1.354 24 Q HN 0.202 nan 8.270 nan 0.000 0.447 25 P HA -0.022 nan 4.420 nan 0.000 0.264 25 P C -1.022 176.285 177.300 0.012 0.000 1.193 25 P CA 0.416 63.433 63.100 -0.139 0.000 0.763 25 P CB 0.221 31.669 31.700 -0.420 0.000 0.810 26 Y N -1.009 119.461 120.300 0.284 0.000 4.884 26 Y HA -0.231 4.245 4.550 -0.124 0.000 0.276 26 Y C 0.881 177.023 175.900 0.403 0.000 0.915 26 Y CA 0.341 58.648 58.100 0.346 0.000 1.768 26 Y CB -2.348 36.388 38.460 0.459 0.000 1.172 26 Y HN 0.353 nan 8.280 nan 0.000 0.470 27 R N 2.784 123.506 120.500 0.369 0.000 2.345 27 R HA 0.497 4.763 4.340 -0.124 0.000 0.331 27 R C 0.829 177.151 176.300 0.037 0.000 1.067 27 R CA 0.630 56.682 56.100 -0.080 0.000 0.962 27 R CB 0.137 30.239 30.300 -0.330 0.000 0.987 27 R HN 0.350 nan 8.270 nan 0.000 0.451 28 G N 3.420 112.235 108.800 0.025 0.000 2.225 28 G HA2 -0.071 3.815 3.960 -0.124 0.000 0.245 28 G HA3 -0.071 3.815 3.960 -0.124 0.000 0.245 28 G C 0.061 175.085 174.900 0.206 0.000 1.249 28 G CA -0.413 44.720 45.100 0.054 0.000 0.919 28 G HN 0.699 nan 8.290 nan 0.000 0.486 29 Q N 1.372 121.295 119.800 0.206 0.000 2.392 29 Q HA 0.026 4.292 4.340 -0.124 0.000 0.203 29 Q C 0.520 176.561 176.000 0.069 0.000 0.917 29 Q CA 0.642 56.609 55.803 0.274 0.000 0.939 29 Q CB 0.352 29.263 28.738 0.288 0.000 1.063 29 Q HN 1.045 nan 8.270 nan 0.000 0.516 30 Y N -2.775 117.534 120.300 0.015 0.000 2.712 30 Y HA 0.535 5.011 4.550 -0.124 0.000 0.250 30 Y C -0.706 175.023 175.900 -0.284 0.000 1.101 30 Y CA -1.001 56.980 58.100 -0.199 0.000 1.118 30 Y CB -0.238 38.144 38.460 -0.131 0.000 1.203 30 Y HN -0.122 nan 8.280 nan 0.000 0.587 31 H N 0.371 119.364 119.070 -0.127 0.000 2.768 31 H HA 0.391 4.873 4.556 -0.124 0.000 0.371 31 H C -1.543 173.792 175.328 0.012 0.000 1.151 31 H CA -1.353 54.665 56.048 -0.050 0.000 1.165 31 H CB 1.621 31.326 29.762 -0.096 0.000 1.722 31 H HN 0.236 nan 8.280 nan 0.000 0.543 32 F N 2.655 122.567 119.950 -0.063 0.000 2.484 32 F HA 0.410 4.864 4.527 -0.122 0.000 0.360 32 F C 0.069 175.811 175.800 -0.097 0.000 1.101 32 F CA -0.006 57.890 58.000 -0.174 0.000 1.251 32 F CB 0.401 38.950 39.000 -0.751 0.000 1.132 32 F HN 0.543 nan 8.300 nan 0.000 0.570 33 S N 6.486 121.482 115.700 -1.172 0.000 2.556 33 S HA 0.667 5.063 4.470 -0.124 0.000 0.271 33 S C -3.222 170.536 174.600 -1.404 0.000 1.135 33 S CA -1.603 55.951 58.200 -1.077 0.000 0.858 33 S CB 2.193 64.973 63.200 -0.700 0.000 1.114 33 S HN 0.463 nan 8.310 nan 0.000 0.468 34 P HA 0.208 nan 4.420 nan 0.000 0.272 34 P C 0.185 177.225 177.300 -0.433 0.000 1.223 34 P CA -0.149 62.672 63.100 -0.466 0.000 0.784 34 P CB 0.633 32.292 31.700 -0.067 0.000 0.923 35 Q N 0.693 120.160 119.800 -0.554 0.000 2.135 35 Q HA -0.115 4.151 4.340 -0.124 0.000 0.204 35 Q C 0.486 176.163 176.000 -0.540 0.000 0.981 35 Q CA 1.606 56.770 55.803 -1.064 0.000 0.856 35 Q CB -0.086 27.590 28.738 -1.770 0.000 0.902 35 Q HN 0.507 nan 8.270 nan 0.000 0.425 36 K N -0.284 119.987 120.400 -0.215 0.000 2.495 36 K HA 0.292 4.538 4.320 -0.124 0.000 0.268 36 K C -0.854 175.834 176.600 0.147 0.000 1.008 36 K CA -0.926 55.354 56.287 -0.012 0.000 0.882 36 K CB 1.800 34.279 32.500 -0.036 0.000 1.443 36 K HN -0.020 nan 8.250 nan 0.000 0.447 37 N N 0.163 118.928 118.700 0.110 0.000 6.584 37 N HA -0.220 4.446 4.740 -0.124 0.000 0.411 37 N C -1.218 174.420 175.510 0.213 0.000 0.981 37 N CA 0.391 53.513 53.050 0.120 0.000 1.762 37 N CB -0.511 37.966 38.487 -0.015 0.000 0.760 37 N HN 0.653 nan 8.380 nan 0.000 0.447 38 W N 2.059 123.367 121.300 0.012 0.000 2.272 38 W HA 0.585 5.170 4.660 -0.125 0.000 0.318 38 W C -0.488 176.138 176.519 0.177 0.000 1.255 38 W CA -0.342 57.050 57.345 0.078 0.000 1.200 38 W CB 0.563 30.053 29.460 0.049 0.000 1.170 38 W HN 0.585 nan 8.180 nan 0.000 0.549 39 M N 7.684 126.876 119.600 -0.680 0.000 2.395 39 M HA 0.195 4.601 4.480 -0.124 0.000 0.307 39 M C -0.240 175.474 176.300 -0.977 0.000 1.091 39 M CA -0.450 54.569 55.300 -0.469 0.000 0.919 39 M CB 1.562 34.070 32.600 -0.154 0.000 1.662 39 M HN 0.642 nan 8.290 nan 0.000 0.440 40 N N 1.846 120.179 118.700 -0.612 0.000 2.014 40 N HA 0.277 4.943 4.740 -0.124 0.000 0.135 40 N C -1.047 173.917 175.510 -0.910 0.000 1.468 40 N CA -0.384 51.919 53.050 -1.244 0.000 1.088 40 N CB -0.363 37.474 38.487 -1.084 0.000 1.197 40 N HN 0.495 nan 8.380 nan 0.000 0.312 41 D N 2.751 122.784 120.400 -0.612 0.000 2.443 41 D HA 0.228 4.793 4.640 -0.124 0.000 0.239 41 D C -2.028 174.127 176.300 -0.241 0.000 1.136 41 D CA -0.582 53.192 54.000 -0.377 0.000 0.879 41 D CB 0.111 40.770 40.800 -0.235 0.000 1.195 41 D HN 0.302 nan 8.370 nan 0.000 0.443 42 P HA 0.142 nan 4.420 nan 0.000 0.275 42 P C -0.919 176.225 177.300 -0.260 0.000 1.227 42 P CA -0.302 62.692 63.100 -0.178 0.000 0.781 42 P CB 0.845 32.451 31.700 -0.156 0.000 0.906 43 N N -0.063 118.434 118.700 -0.338 0.000 2.284 43 N HA 0.506 5.172 4.740 -0.124 0.000 0.289 43 N C -0.027 175.253 175.510 -0.383 0.000 1.179 43 N CA -0.734 51.972 53.050 -0.574 0.000 0.774 43 N CB 1.529 39.132 38.487 -1.473 0.000 1.548 43 N HN 0.559 nan 8.380 nan 0.000 0.473 44 G N 0.745 109.362 108.800 -0.303 0.000 2.249 44 G HA2 -0.273 3.613 3.960 -0.124 0.000 0.273 44 G HA3 -0.273 3.613 3.960 -0.124 0.000 0.273 44 G C -0.266 174.780 174.900 0.243 0.000 1.036 44 G CA -0.026 45.077 45.100 0.003 0.000 0.824 44 G HN 0.366 nan 8.290 nan 0.000 0.504 45 L N -0.507 120.720 121.223 0.007 0.000 2.418 45 L HA 0.568 4.833 4.340 -0.124 0.000 0.274 45 L C 0.301 177.204 176.870 0.055 0.000 1.135 45 L CA -0.451 54.214 54.840 -0.293 0.000 0.870 45 L CB 0.917 42.410 42.059 -0.944 0.000 1.154 45 L HN 0.233 nan 8.230 nan 0.000 0.462 46 L N 5.115 126.603 121.223 0.442 0.000 2.543 46 L HA 0.367 4.633 4.340 -0.124 0.000 0.265 46 L C -1.354 176.011 176.870 0.825 0.000 0.945 46 L CA -0.313 54.919 54.840 0.653 0.000 0.869 46 L CB 1.750 44.105 42.059 0.493 0.000 1.294 46 L HN 0.332 nan 8.230 nan 0.000 0.405 47 Y N 4.539 125.148 120.300 0.515 0.000 2.341 47 Y HA 0.630 5.105 4.550 -0.125 0.000 0.340 47 Y C -1.149 174.887 175.900 0.227 0.000 0.997 47 Y CA 0.020 58.198 58.100 0.131 0.000 1.149 47 Y CB 0.561 38.882 38.460 -0.233 0.000 1.171 47 Y HN 0.804 nan 8.280 nan 0.000 0.494 48 H N 5.843 124.679 119.070 -0.391 0.000 3.096 48 H HA 0.219 4.703 4.556 -0.121 0.000 0.335 48 H C -0.341 174.756 175.328 -0.384 0.000 0.990 48 H CA -0.651 55.261 56.048 -0.225 0.000 1.393 48 H CB 0.585 30.392 29.762 0.074 0.000 1.742 48 H HN 0.844 nan 8.280 nan 0.000 0.501 49 N N 3.922 122.110 118.700 -0.853 0.000 2.714 49 N HA -0.254 4.411 4.740 -0.124 0.000 0.253 49 N C 0.727 175.946 175.510 -0.486 0.000 1.024 49 N CA 1.139 53.832 53.050 -0.596 0.000 0.726 49 N CB -0.977 37.189 38.487 -0.535 0.000 0.908 49 N HN 1.275 nan 8.380 nan 0.000 0.542 50 G N -1.260 107.118 108.800 -0.703 0.000 2.225 50 G HA2 -0.275 3.611 3.960 -0.124 0.000 0.254 50 G HA3 -0.275 3.611 3.960 -0.124 0.000 0.254 50 G C 0.138 174.788 174.900 -0.416 0.000 0.988 50 G CA 0.709 45.555 45.100 -0.424 0.000 0.625 50 G HN 0.536 nan 8.290 nan 0.000 0.527 51 T N 0.801 115.003 114.554 -0.588 0.000 2.794 51 T HA 0.566 4.842 4.350 -0.124 0.000 0.280 51 T C -0.706 173.815 174.700 -0.298 0.000 0.987 51 T CA -0.260 61.642 62.100 -0.331 0.000 0.993 51 T CB 1.087 69.799 68.868 -0.260 0.000 0.939 51 T HN 0.211 nan 8.240 nan 0.000 0.449 52 Y N 2.600 122.888 120.300 -0.021 0.000 2.425 52 Y HA 0.289 4.765 4.550 -0.123 0.000 0.347 52 Y C 0.911 176.924 175.900 0.188 0.000 0.976 52 Y CA -0.651 57.556 58.100 0.178 0.000 1.190 52 Y CB 0.190 38.666 38.460 0.027 0.000 1.136 52 Y HN 0.665 nan 8.280 nan 0.000 0.517 53 H N 2.998 122.431 119.070 0.604 0.000 2.548 53 H HA 0.373 4.856 4.556 -0.121 0.000 0.331 53 H C -0.916 174.634 175.328 0.370 0.000 1.093 53 H CA -0.465 55.835 56.048 0.420 0.000 1.367 53 H CB 1.092 31.108 29.762 0.424 0.000 1.455 53 H HN 0.448 nan 8.280 nan 0.000 0.519 54 L N 4.952 126.256 121.223 0.134 0.000 2.388 54 L HA 0.375 4.640 4.340 -0.124 0.000 0.267 54 L C -1.732 174.978 176.870 -0.268 0.000 0.995 54 L CA -0.315 54.454 54.840 -0.118 0.000 0.864 54 L CB -0.387 41.303 42.059 -0.616 0.000 1.216 54 L HN 0.418 nan 8.230 nan 0.000 0.430 55 F N 4.697 124.607 119.950 -0.066 0.000 2.380 55 F HA 0.786 5.241 4.527 -0.119 0.000 0.319 55 F C -0.014 175.599 175.800 -0.312 0.000 1.113 55 F CA -0.216 57.584 58.000 -0.334 0.000 1.056 55 F CB 1.214 39.878 39.000 -0.561 0.000 1.289 55 F HN 0.407 nan 8.300 nan 0.000 0.515 56 F N -1.951 117.843 119.950 -0.261 0.000 2.725 56 F HA 0.347 4.801 4.527 -0.123 0.000 0.309 56 F C -1.325 174.355 175.800 -0.199 0.000 1.132 56 F CA -1.587 56.237 58.000 -0.294 0.000 0.957 56 F CB 0.700 39.590 39.000 -0.183 0.000 1.286 56 F HN 0.192 nan 8.300 nan 0.000 0.440 57 Q N 2.201 121.995 119.800 -0.010 0.000 2.255 57 Q HA 0.130 4.396 4.340 -0.124 0.000 0.280 57 Q C -1.566 174.609 176.000 0.293 0.000 1.068 57 Q CA 0.584 56.430 55.803 0.072 0.000 0.911 57 Q CB 0.930 29.679 28.738 0.018 0.000 1.157 57 Q HN 0.768 nan 8.270 nan 0.000 0.380 58 Y N 2.578 122.946 120.300 0.113 0.000 2.470 58 Y HA 0.256 4.731 4.550 -0.124 0.000 0.341 58 Y C -1.081 174.882 175.900 0.106 0.000 1.021 58 Y CA -1.333 56.874 58.100 0.178 0.000 1.025 58 Y CB 1.565 40.114 38.460 0.148 0.000 1.266 58 Y HN 0.501 nan 8.280 nan 0.000 0.448 59 N N 7.166 125.644 118.700 -0.369 0.000 2.546 59 N HA 0.390 5.056 4.740 -0.124 0.000 0.238 59 N C -2.524 172.554 175.510 -0.720 0.000 0.984 59 N CA -2.639 50.181 53.050 -0.383 0.000 0.935 59 N CB 1.739 40.151 38.487 -0.125 0.000 1.122 59 N HN 0.362 nan 8.380 nan 0.000 0.510 60 P HA 0.159 nan 4.420 nan 0.000 0.242 60 P C 0.639 177.874 177.300 -0.108 0.000 1.197 60 P CA 0.479 63.265 63.100 -0.522 0.000 0.765 60 P CB 0.308 31.681 31.700 -0.545 0.000 0.936 61 G N -1.563 107.299 108.800 0.104 0.000 3.377 61 G HA2 0.505 4.391 3.960 -0.124 0.000 0.257 61 G HA3 0.505 4.391 3.960 -0.124 0.000 0.257 61 G C 0.334 175.300 174.900 0.110 0.000 1.038 61 G CA 0.129 45.398 45.100 0.283 0.000 0.809 61 G HN 0.436 nan 8.290 nan 0.000 0.526 62 G N -0.784 108.041 108.800 0.042 0.000 2.466 62 G HA2 0.351 4.237 3.960 -0.124 0.000 0.291 62 G HA3 0.351 4.237 3.960 -0.124 0.000 0.291 62 G C -0.422 174.525 174.900 0.078 0.000 1.460 62 G CA -0.628 44.501 45.100 0.049 0.000 0.791 62 G HN 0.114 nan 8.290 nan 0.000 0.505 63 I N -0.532 120.100 120.570 0.103 0.000 3.956 63 I HA 0.346 4.442 4.170 -0.124 0.000 0.333 63 I C 0.632 176.900 176.117 0.252 0.000 1.302 63 I CA 0.273 61.673 61.300 0.167 0.000 1.122 63 I CB 0.061 38.126 38.000 0.109 0.000 1.013 63 I HN 0.517 nan 8.210 nan 0.000 0.405 64 E N -0.894 119.358 120.200 0.087 0.000 2.370 64 E HA 0.132 4.408 4.350 -0.124 0.000 0.259 64 E C -1.536 174.748 176.600 -0.527 0.000 0.947 64 E CA -1.004 55.275 56.400 -0.201 0.000 0.809 64 E CB 1.176 30.775 29.700 -0.168 0.000 1.300 64 E HN 0.166 nan 8.360 nan 0.000 0.419 65 W N 0.622 121.166 121.300 -1.260 0.000 2.264 65 W HA 0.355 4.939 4.660 -0.125 0.000 0.331 65 W C 0.170 176.487 176.519 -0.337 0.000 1.364 65 W CA 1.236 58.014 57.345 -0.945 0.000 1.253 65 W CB 0.227 29.289 29.460 -0.664 0.000 1.215 65 W HN 0.485 nan 8.180 nan 0.000 0.561 66 G N 4.004 112.396 108.800 -0.680 0.000 2.325 66 G HA2 0.045 3.931 3.960 -0.124 0.000 0.297 66 G HA3 0.045 3.931 3.960 -0.124 0.000 0.297 66 G C -0.482 174.153 174.900 -0.441 0.000 1.448 66 G CA -0.630 44.165 45.100 -0.508 0.000 0.838 66 G HN 0.600 nan 8.290 nan 0.000 0.579 67 N N -0.643 117.927 118.700 -0.216 0.000 2.727 67 N HA -0.151 4.515 4.740 -0.124 0.000 0.249 67 N C 0.558 176.027 175.510 -0.069 0.000 1.048 67 N CA 0.995 54.042 53.050 -0.005 0.000 0.714 67 N CB -0.632 37.984 38.487 0.215 0.000 0.959 67 N HN 0.567 nan 8.380 nan 0.000 0.544 68 I N 0.790 121.243 120.570 -0.196 0.000 2.598 68 I HA 0.007 4.103 4.170 -0.124 0.000 0.284 68 I C 1.045 177.233 176.117 0.118 0.000 1.140 68 I CA 0.872 62.083 61.300 -0.149 0.000 1.420 68 I CB 0.518 38.354 38.000 -0.274 0.000 1.387 68 I HN 0.013 nan 8.210 nan 0.000 0.553 69 S N 5.640 121.430 115.700 0.151 0.000 2.632 69 S HA 0.478 4.874 4.470 -0.124 0.000 0.289 69 S C -1.268 173.516 174.600 0.307 0.000 1.115 69 S CA -0.583 57.755 58.200 0.231 0.000 0.889 69 S CB 1.677 64.947 63.200 0.117 0.000 1.116 69 S HN 0.411 nan 8.310 nan 0.000 0.486 70 W N 2.376 123.581 121.300 -0.158 0.000 2.357 70 W HA 0.565 5.149 4.660 -0.126 0.000 0.317 70 W C 0.851 177.166 176.519 -0.341 0.000 1.101 70 W CA -0.879 56.305 57.345 -0.270 0.000 1.380 70 W CB -0.014 29.178 29.460 -0.447 0.000 1.266 70 W HN 0.816 nan 8.180 nan 0.000 0.419 71 G N 1.557 110.048 108.800 -0.516 0.000 2.653 71 G HA2 0.285 4.171 3.960 -0.124 0.000 0.265 71 G HA3 0.285 4.171 3.960 -0.124 0.000 0.265 71 G C -1.258 173.030 174.900 -1.020 0.000 1.237 71 G CA -0.299 44.156 45.100 -1.075 0.000 0.946 71 G HN 0.606 nan 8.290 nan 0.000 0.522 72 H N -1.396 117.161 119.070 -0.854 0.000 3.029 72 H HA 0.536 5.019 4.556 -0.122 0.000 0.358 72 H C -0.999 174.226 175.328 -0.172 0.000 1.129 72 H CA -0.520 55.214 56.048 -0.524 0.000 1.230 72 H CB 1.815 31.451 29.762 -0.210 0.000 1.827 72 H HN 0.824 nan 8.280 nan 0.000 0.530 73 A N 4.630 127.306 122.820 -0.240 0.000 2.539 73 A HA 0.641 4.887 4.320 -0.124 0.000 0.296 73 A C -1.203 176.278 177.584 -0.171 0.000 1.073 73 A CA -0.676 51.238 52.037 -0.205 0.000 0.700 73 A CB 1.517 20.324 19.000 -0.322 0.000 1.296 73 A HN 0.650 nan 8.150 nan 0.000 0.405 74 I N -1.083 119.496 120.570 0.015 0.000 2.828 74 I HA 0.911 5.007 4.170 -0.124 0.000 0.302 74 I C -0.288 175.878 176.117 0.081 0.000 1.101 74 I CA -0.642 60.678 61.300 0.034 0.000 1.031 74 I CB 2.489 40.366 38.000 -0.205 0.000 1.231 74 I HN 0.763 nan 8.210 nan 0.000 0.427 75 S N 2.110 117.703 115.700 -0.178 0.000 2.638 75 S HA 0.494 4.890 4.470 -0.124 0.000 0.274 75 S C -0.083 174.398 174.600 -0.198 0.000 1.157 75 S CA -0.733 57.206 58.200 -0.435 0.000 0.826 75 S CB 2.083 64.539 63.200 -1.240 0.000 1.139 75 S HN 0.709 nan 8.310 nan 0.000 0.474 76 E N 0.665 120.766 120.200 -0.165 0.000 2.452 76 E HA 0.086 4.361 4.350 -0.124 0.000 0.197 76 E C -0.136 176.487 176.600 0.038 0.000 1.022 76 E CA 0.675 57.070 56.400 -0.009 0.000 0.890 76 E CB 0.023 29.688 29.700 -0.059 0.000 0.918 76 E HN 0.846 nan 8.360 nan 0.000 0.496 77 D N -0.762 119.492 120.400 -0.244 0.000 2.563 77 D HA 0.046 4.612 4.640 -0.124 0.000 0.256 77 D C 0.739 176.626 176.300 -0.687 0.000 1.400 77 D CA -0.409 53.374 54.000 -0.361 0.000 0.800 77 D CB -0.486 40.164 40.800 -0.250 0.000 1.145 77 D HN -0.022 nan 8.370 nan 0.000 0.501 78 L N -0.173 120.443 121.223 -1.012 0.000 4.001 78 L HA -0.276 3.990 4.340 -0.124 0.000 0.413 78 L C 0.389 176.775 176.870 -0.806 0.000 1.185 78 L CA 1.317 55.560 54.840 -0.995 0.000 0.963 78 L CB -2.154 39.416 42.059 -0.814 0.000 1.976 78 L HN 0.267 nan 8.230 nan 0.000 0.939 79 T N -4.637 109.292 114.554 -1.042 0.000 3.545 79 T HA 0.127 4.403 4.350 -0.124 0.000 0.274 79 T C 0.160 174.276 174.700 -0.972 0.000 0.989 79 T CA 0.011 61.600 62.100 -0.851 0.000 1.129 79 T CB 0.270 68.672 68.868 -0.776 0.000 1.165 79 T HN 0.254 nan 8.240 nan 0.000 0.436 80 H N 0.491 119.117 119.070 -0.740 0.000 2.746 80 H HA 0.394 4.875 4.556 -0.124 0.000 0.269 80 H C -1.197 173.814 175.328 -0.528 0.000 1.248 80 H CA -0.672 55.052 56.048 -0.540 0.000 1.258 80 H CB -0.036 29.514 29.762 -0.353 0.000 1.441 80 H HN 0.293 nan 8.280 nan 0.000 0.508 81 W N 1.552 122.719 121.300 -0.221 0.000 2.381 81 W HA 0.305 4.889 4.660 -0.125 0.000 0.329 81 W C 0.375 176.980 176.519 0.144 0.000 1.157 81 W CA -0.641 56.684 57.345 -0.034 0.000 1.240 81 W CB 0.884 30.414 29.460 0.117 0.000 1.199 81 W HN 0.465 nan 8.180 nan 0.000 0.579 82 E N 2.162 122.589 120.200 0.378 0.000 2.191 82 E HA 0.127 4.402 4.350 -0.124 0.000 0.263 82 E C -0.996 175.777 176.600 0.288 0.000 0.881 82 E CA -0.639 55.947 56.400 0.310 0.000 0.757 82 E CB 1.154 30.944 29.700 0.150 0.000 1.147 82 E HN 0.525 nan 8.360 nan 0.000 0.414 83 E N 4.053 124.455 120.200 0.337 0.000 2.338 83 E HA 0.092 4.368 4.350 -0.124 0.000 0.272 83 E C -0.653 176.008 176.600 0.101 0.000 1.029 83 E CA -0.305 56.245 56.400 0.250 0.000 0.872 83 E CB 0.647 30.498 29.700 0.252 0.000 1.015 83 E HN 0.237 nan 8.360 nan 0.000 0.417 84 K N 3.736 124.147 120.400 0.019 0.000 2.280 84 K HA 0.478 4.724 4.320 -0.124 0.000 0.234 84 K C -2.417 174.212 176.600 0.048 0.000 1.028 84 K CA -2.200 54.084 56.287 -0.005 0.000 0.882 84 K CB 0.662 33.063 32.500 -0.165 0.000 1.194 84 K HN 0.438 nan 8.250 nan 0.000 0.458 85 P HA 0.033 nan 4.420 nan 0.000 0.268 85 P C -0.388 176.968 177.300 0.093 0.000 1.208 85 P CA -0.400 62.748 63.100 0.081 0.000 0.777 85 P CB 0.326 32.078 31.700 0.088 0.000 0.875 86 V N 1.873 121.810 119.914 0.038 0.000 2.584 86 V HA -0.024 4.022 4.120 -0.124 0.000 0.303 86 V C 1.571 177.691 176.094 0.044 0.000 1.035 86 V CA 1.290 63.595 62.300 0.008 0.000 1.172 86 V CB -0.075 31.751 31.823 0.004 0.000 0.896 86 V HN 0.773 nan 8.190 nan 0.000 0.486 87 A N 5.881 128.726 122.820 0.041 0.000 1.861 87 A HA 0.286 4.532 4.320 -0.124 0.000 0.212 87 A C 0.797 178.232 177.584 -0.249 0.000 1.199 87 A CA 0.771 52.827 52.037 0.031 0.000 0.613 87 A CB 0.021 18.990 19.000 -0.051 0.000 0.846 87 A HN 0.642 nan 8.150 nan 0.000 0.446 88 L N 0.723 121.683 121.223 -0.439 0.000 2.388 88 L HA 0.409 4.675 4.340 -0.124 0.000 0.267 88 L C -1.215 175.356 176.870 -0.497 0.000 0.995 88 L CA -0.593 53.751 54.840 -0.827 0.000 0.864 88 L CB 1.837 42.923 42.059 -1.621 0.000 1.216 88 L HN 0.253 nan 8.230 nan 0.000 0.430 89 L N 3.725 124.785 121.223 -0.272 0.000 2.265 89 L HA 0.603 4.869 4.340 -0.124 0.000 0.288 89 L C 0.773 177.747 176.870 0.172 0.000 1.058 89 L CA 0.005 54.810 54.840 -0.057 0.000 0.809 89 L CB 1.252 43.271 42.059 -0.066 0.000 1.179 89 L HN 0.671 nan 8.230 nan 0.000 0.429 90 A N 5.430 128.399 122.820 0.249 0.000 2.615 90 A HA -0.080 4.166 4.320 -0.124 0.000 0.240 90 A C 0.608 178.340 177.584 0.247 0.000 1.003 90 A CA 0.323 52.524 52.037 0.274 0.000 0.778 90 A CB -0.330 18.792 19.000 0.204 0.000 0.907 90 A HN 0.830 nan 8.150 nan 0.000 0.507 91 R N 2.208 122.808 120.500 0.166 0.000 2.401 91 R HA 0.381 4.647 4.340 -0.124 0.000 0.299 91 R C 1.293 177.652 176.300 0.099 0.000 1.064 91 R CA 1.211 57.389 56.100 0.130 0.000 1.000 91 R CB -0.068 30.277 30.300 0.076 0.000 0.973 91 R HN 1.805 nan 8.270 nan 0.000 0.438 92 G N 3.934 112.798 108.800 0.108 0.000 2.157 92 G HA2 -0.303 3.583 3.960 -0.124 0.000 0.248 92 G HA3 -0.303 3.583 3.960 -0.124 0.000 0.248 92 G C -0.016 174.936 174.900 0.087 0.000 0.979 92 G CA -0.061 45.083 45.100 0.074 0.000 0.650 92 G HN 0.647 nan 8.290 nan 0.000 0.529 93 F N 1.548 121.514 119.950 0.027 0.000 2.612 93 F HA 0.368 4.821 4.527 -0.123 0.000 0.389 93 F C 1.585 177.396 175.800 0.019 0.000 1.055 93 F CA 1.866 59.880 58.000 0.022 0.000 1.232 93 F CB 0.466 39.485 39.000 0.031 0.000 1.044 93 F HN 1.182 nan 8.300 nan 0.000 0.560 94 G N 2.849 111.198 108.800 -0.752 0.000 2.176 94 G HA2 -0.259 3.627 3.960 -0.124 0.000 0.253 94 G HA3 -0.259 3.627 3.960 -0.124 0.000 0.253 94 G C 0.244 175.013 174.900 -0.218 0.000 0.979 94 G CA 0.344 45.152 45.100 -0.487 0.000 0.641 94 G HN 1.060 nan 8.290 nan 0.000 0.530 95 S N -1.018 114.589 115.700 -0.155 0.000 3.605 95 S HA 0.586 4.982 4.470 -0.124 0.000 0.301 95 S C -1.443 173.116 174.600 -0.069 0.000 1.083 95 S CA 0.149 58.301 58.200 -0.079 0.000 1.109 95 S CB 0.934 64.113 63.200 -0.035 0.000 1.364 95 S HN 0.093 nan 8.310 nan 0.000 0.758 96 D N 2.091 122.470 120.400 -0.035 0.000 2.316 96 D HA 0.354 4.920 4.640 -0.124 0.000 0.245 96 D C -0.602 175.693 176.300 -0.009 0.000 1.171 96 D CA 0.033 54.019 54.000 -0.023 0.000 0.856 96 D CB 1.289 42.080 40.800 -0.014 0.000 1.090 96 D HN 0.238 nan 8.370 nan 0.000 0.476 97 V N 2.650 122.563 119.914 -0.002 0.000 2.555 97 V HA 0.115 4.161 4.120 -0.124 0.000 0.286 97 V C 1.607 177.705 176.094 0.007 0.000 1.044 97 V CA 0.236 62.548 62.300 0.020 0.000 1.026 97 V CB 1.220 33.069 31.823 0.043 0.000 0.981 97 V HN 0.737 nan 8.190 nan 0.000 0.480 98 T N 0.461 115.016 114.554 0.001 0.000 2.975 98 T HA 0.293 4.568 4.350 -0.124 0.000 0.257 98 T C 0.246 174.930 174.700 -0.028 0.000 1.003 98 T CA -0.052 62.043 62.100 -0.009 0.000 0.932 98 T CB 0.317 69.189 68.868 0.007 0.000 1.087 98 T HN 0.641 nan 8.240 nan 0.000 0.512 99 E N 0.369 120.513 120.200 -0.094 0.000 2.347 99 E HA 0.499 4.775 4.350 -0.124 0.000 0.285 99 E C -1.593 174.792 176.600 -0.358 0.000 0.925 99 E CA -0.620 55.624 56.400 -0.259 0.000 0.779 99 E CB 1.822 31.368 29.700 -0.255 0.000 1.233 99 E HN 0.245 nan 8.360 nan 0.000 0.414 100 M N 2.609 121.993 119.600 -0.361 0.000 2.644 100 M HA 0.402 4.808 4.480 -0.124 0.000 0.316 100 M C -1.220 174.840 176.300 -0.400 0.000 1.200 100 M CA -0.895 54.279 55.300 -0.210 0.000 0.944 100 M CB 1.595 34.315 32.600 0.199 0.000 1.691 100 M HN 0.476 nan 8.290 nan 0.000 0.471 101 Y N 1.274 121.640 120.300 0.111 0.000 2.717 101 Y HA 0.348 4.822 4.550 -0.126 0.000 0.329 101 Y C -0.311 175.854 175.900 0.442 0.000 1.017 101 Y CA -0.541 57.578 58.100 0.032 0.000 1.275 101 Y CB -0.045 38.175 38.460 -0.400 0.000 1.109 101 Y HN 0.394 nan 8.280 nan 0.000 0.511 102 F N 0.060 120.158 119.950 0.247 0.000 2.313 102 F HA 0.165 4.617 4.527 -0.125 0.000 0.288 102 F C 1.293 177.351 175.800 0.430 0.000 1.274 102 F CA -0.847 57.322 58.000 0.281 0.000 1.241 102 F CB 0.191 39.298 39.000 0.180 0.000 1.409 102 F HN 0.156 nan 8.300 nan 0.000 0.511 103 S N -0.743 115.211 115.700 0.424 0.000 2.584 103 S HA 0.562 4.958 4.470 -0.124 0.000 0.270 103 S C 0.415 175.237 174.600 0.369 0.000 1.346 103 S CA 0.259 58.619 58.200 0.266 0.000 1.018 103 S CB 0.821 64.060 63.200 0.065 0.000 0.899 103 S HN 0.949 nan 8.310 nan 0.000 0.542 104 G N 0.365 109.359 108.800 0.323 0.000 2.348 104 G HA2 0.563 4.449 3.960 -0.124 0.000 0.296 104 G HA3 0.563 4.449 3.960 -0.124 0.000 0.296 104 G C -1.188 173.882 174.900 0.283 0.000 1.258 104 G CA -0.069 45.271 45.100 0.400 0.000 0.868 104 G HN 1.057 nan 8.290 nan 0.000 0.488 105 S N -1.696 114.205 115.700 0.334 0.000 2.720 105 S HA 0.981 5.377 4.470 -0.124 0.000 0.287 105 S C -0.593 174.109 174.600 0.171 0.000 1.168 105 S CA 0.068 58.396 58.200 0.213 0.000 0.832 105 S CB 1.656 64.956 63.200 0.166 0.000 1.166 105 S HN 2.537 nan 8.310 nan 0.000 0.493 106 A N 0.021 122.912 122.820 0.118 0.000 2.566 106 A HA 0.810 5.056 4.320 -0.124 0.000 0.297 106 A C -0.752 176.922 177.584 0.149 0.000 1.059 106 A CA -0.341 51.757 52.037 0.102 0.000 0.691 106 A CB 1.228 20.284 19.000 0.094 0.000 1.282 106 A HN 2.159 nan 8.150 nan 0.000 0.401 107 V N -1.538 118.450 119.914 0.123 0.000 3.078 107 V HA 0.965 5.011 4.120 -0.124 0.000 0.311 107 V C 0.067 176.234 176.094 0.120 0.000 1.138 107 V CA -0.482 61.926 62.300 0.181 0.000 1.007 107 V CB 1.554 33.498 31.823 0.203 0.000 1.045 107 V HN 2.154 nan 8.190 nan 0.000 0.432 108 A N 1.430 124.343 122.820 0.154 0.000 2.279 108 A HA 0.568 4.814 4.320 -0.124 0.000 0.306 108 A C -0.044 177.630 177.584 0.149 0.000 1.300 108 A CA -0.074 51.978 52.037 0.025 0.000 0.925 108 A CB 0.071 19.020 19.000 -0.085 0.000 1.152 108 A HN 0.997 nan 8.150 nan 0.000 0.544 109 D N 3.335 123.788 120.400 0.088 0.000 2.713 109 D HA 0.149 4.715 4.640 -0.124 0.000 0.229 109 D C 1.386 177.719 176.300 0.055 0.000 1.136 109 D CA 0.230 54.323 54.000 0.155 0.000 1.010 109 D CB 0.018 40.846 40.800 0.047 0.000 1.084 109 D HN 0.316 nan 8.370 nan 0.000 0.495 110 V N 0.540 120.472 119.914 0.030 0.000 2.594 110 V HA -0.123 3.923 4.120 -0.124 0.000 0.253 110 V C 1.278 177.352 176.094 -0.034 0.000 1.069 110 V CA 1.214 63.516 62.300 0.002 0.000 1.082 110 V CB -0.467 31.367 31.823 0.019 0.000 0.680 110 V HN 0.265 nan 8.190 nan 0.000 0.469 111 N N 0.788 119.442 118.700 -0.076 0.000 2.336 111 N HA 0.067 4.733 4.740 -0.124 0.000 0.189 111 N C 0.722 176.196 175.510 -0.059 0.000 1.113 111 N CA 0.754 53.752 53.050 -0.088 0.000 0.858 111 N CB -0.434 37.955 38.487 -0.164 0.000 0.970 111 N HN 0.700 nan 8.380 nan 0.000 0.471 112 N N 0.514 119.192 118.700 -0.037 0.000 2.738 112 N HA -0.180 4.486 4.740 -0.124 0.000 0.249 112 N C 0.815 176.285 175.510 -0.067 0.000 1.047 112 N CA 0.935 53.954 53.050 -0.052 0.000 0.707 112 N CB -1.436 37.013 38.487 -0.063 0.000 0.937 112 N HN 0.404 nan 8.380 nan 0.000 0.545 113 T N -4.232 110.315 114.554 -0.011 0.000 2.915 113 T HA -0.134 4.142 4.350 -0.124 0.000 0.269 113 T C 1.885 176.519 174.700 -0.111 0.000 1.071 113 T CA 1.622 63.725 62.100 0.005 0.000 1.132 113 T CB -0.503 68.482 68.868 0.194 0.000 0.878 113 T HN 0.451 nan 8.240 nan 0.000 0.479 114 S N 0.781 116.357 115.700 -0.207 0.000 2.461 114 S HA 0.322 4.718 4.470 -0.124 0.000 0.228 114 S C 2.151 176.306 174.600 -0.743 0.000 1.005 114 S CA 0.684 58.576 58.200 -0.513 0.000 0.942 114 S CB -0.948 61.934 63.200 -0.530 0.000 0.776 114 S HN 1.360 nan 8.310 nan 0.000 0.514 115 G N 0.277 108.803 108.800 -0.457 0.000 2.179 115 G HA2 -0.255 3.630 3.960 -0.124 0.000 0.260 115 G HA3 -0.255 3.630 3.960 -0.124 0.000 0.260 115 G C 0.322 175.003 174.900 -0.365 0.000 0.977 115 G CA 0.357 45.230 45.100 -0.378 0.000 0.641 115 G HN 0.523 nan 8.290 nan 0.000 0.533 116 F N 1.707 121.443 119.950 -0.357 0.000 2.615 116 F HA 0.327 4.786 4.527 -0.114 0.000 0.297 116 F C 2.266 177.820 175.800 -0.411 0.000 1.124 116 F CA -0.053 57.593 58.000 -0.590 0.000 1.451 116 F CB -0.490 37.928 39.000 -0.969 0.000 1.103 116 F HN 0.314 nan 8.300 nan 0.000 0.569 117 G N 0.564 109.313 108.800 -0.085 0.000 2.491 117 G HA2 0.267 4.153 3.960 -0.124 0.000 0.238 117 G HA3 0.267 4.153 3.960 -0.124 0.000 0.238 117 G C 0.326 175.196 174.900 -0.051 0.000 1.277 117 G CA -0.284 44.782 45.100 -0.057 0.000 0.851 117 G HN 0.211 nan 8.290 nan 0.000 0.573 118 K N -0.359 120.024 120.400 -0.028 0.000 4.055 118 K HA 0.216 4.462 4.320 -0.124 0.000 0.274 118 K C 0.576 177.167 176.600 -0.015 0.000 0.996 118 K CA -0.096 56.180 56.287 -0.018 0.000 1.764 118 K CB 0.405 32.903 32.500 -0.003 0.000 3.206 118 K HN 0.490 nan 8.250 nan 0.000 0.889 119 D N 0.175 120.570 120.400 -0.009 0.000 2.424 119 D HA 0.143 4.709 4.640 -0.124 0.000 0.220 119 D C 0.616 176.913 176.300 -0.006 0.000 1.150 119 D CA -0.194 53.801 54.000 -0.008 0.000 0.831 119 D CB 0.513 41.310 40.800 -0.005 0.000 0.981 119 D HN 0.414 nan 8.370 nan 0.000 0.500 120 G N 0.288 109.084 108.800 -0.006 0.000 3.410 120 G HA2 0.247 4.133 3.960 -0.124 0.000 0.189 120 G HA3 0.247 4.133 3.960 -0.124 0.000 0.189 120 G C -0.087 174.811 174.900 -0.003 0.000 1.404 120 G CA -0.714 44.384 45.100 -0.004 0.000 0.898 120 G HN 0.035 nan 8.290 nan 0.000 0.650 121 K N 0.971 121.370 120.400 -0.002 0.000 2.276 121 K HA 0.335 4.581 4.320 -0.124 0.000 0.259 121 K C 0.447 177.043 176.600 -0.007 0.000 1.001 121 K CA 0.067 56.356 56.287 0.004 0.000 0.927 121 K CB 0.556 33.058 32.500 0.004 0.000 0.969 121 K HN 0.555 nan 8.250 nan 0.000 0.490 122 T N -0.172 114.381 114.554 -0.001 0.000 2.860 122 T HA 0.212 4.487 4.350 -0.124 0.000 0.299 122 T C -2.149 172.529 174.700 -0.036 0.000 1.045 122 T CA -1.573 60.518 62.100 -0.015 0.000 1.071 122 T CB 0.604 69.469 68.868 -0.005 0.000 0.985 122 T HN 0.352 nan 8.240 nan 0.000 0.537 123 P HA 0.366 nan 4.420 nan 0.000 0.282 123 P C -0.629 176.626 177.300 -0.074 0.000 1.249 123 P CA -0.677 62.400 63.100 -0.039 0.000 0.806 123 P CB 0.727 32.442 31.700 0.026 0.000 0.984 124 L N 2.230 123.370 121.223 -0.138 0.000 2.334 124 L HA 0.468 4.733 4.340 -0.124 0.000 0.277 124 L C 0.062 176.975 176.870 0.071 0.000 1.075 124 L CA -0.967 53.821 54.840 -0.088 0.000 0.804 124 L CB 1.371 43.332 42.059 -0.164 0.000 1.174 124 L HN 0.107 nan 8.230 nan 0.000 0.438 125 V N 1.996 121.996 119.914 0.142 0.000 2.531 125 V HA 0.615 4.661 4.120 -0.124 0.000 0.301 125 V C 0.049 176.219 176.094 0.126 0.000 1.034 125 V CA -0.632 61.773 62.300 0.174 0.000 0.865 125 V CB 1.675 33.512 31.823 0.024 0.000 0.995 125 V HN 0.863 nan 8.190 nan 0.000 0.424 126 A N 5.616 128.480 122.820 0.075 0.000 2.305 126 A HA 0.904 5.150 4.320 -0.124 0.000 0.322 126 A C -0.544 176.982 177.584 -0.096 0.000 1.187 126 A CA -0.520 51.404 52.037 -0.190 0.000 0.825 126 A CB 1.127 19.643 19.000 -0.806 0.000 1.164 126 A HN 0.914 nan 8.150 nan 0.000 0.498 127 M N 3.363 122.921 119.600 -0.070 0.000 2.190 127 M HA 0.661 5.066 4.480 -0.124 0.000 0.312 127 M C -1.678 174.579 176.300 -0.072 0.000 0.990 127 M CA -0.489 54.703 55.300 -0.180 0.000 0.927 127 M CB 1.120 33.618 32.600 -0.170 0.000 1.571 127 M HN 0.783 nan 8.290 nan 0.000 0.427 128 Y N 0.267 120.488 120.300 -0.133 0.000 2.625 128 Y HA 0.677 5.157 4.550 -0.116 0.000 0.338 128 Y C -0.921 174.947 175.900 -0.053 0.000 1.123 128 Y CA -1.335 56.754 58.100 -0.018 0.000 1.046 128 Y CB 0.793 39.169 38.460 -0.140 0.000 1.299 128 Y HN 0.406 nan 8.280 nan 0.000 0.464 129 T N 2.166 116.831 114.554 0.186 0.000 2.737 129 T HA 0.280 4.556 4.350 -0.124 0.000 0.296 129 T C -0.232 174.522 174.700 0.090 0.000 0.922 129 T CA -0.357 61.776 62.100 0.056 0.000 1.079 129 T CB 0.218 69.161 68.868 0.126 0.000 0.892 129 T HN 0.622 nan 8.240 nan 0.000 0.514 130 S N 3.337 118.958 115.700 -0.132 0.000 2.481 130 S HA 0.225 4.621 4.470 -0.124 0.000 0.276 130 S C -0.595 173.564 174.600 -0.735 0.000 1.247 130 S CA -0.559 57.379 58.200 -0.437 0.000 1.053 130 S CB -0.008 62.845 63.200 -0.578 0.000 0.925 130 S HN 0.627 nan 8.310 nan 0.000 0.491 131 Y N 4.159 123.870 120.300 -0.982 0.000 2.331 131 Y HA 0.446 4.921 4.550 -0.125 0.000 0.338 131 Y C -1.485 173.939 175.900 -0.792 0.000 0.976 131 Y CA -1.431 56.074 58.100 -0.991 0.000 1.137 131 Y CB 0.395 37.907 38.460 -1.580 0.000 1.172 131 Y HN 0.583 nan 8.280 nan 0.000 0.478 132 Y N 8.754 128.609 120.300 -0.741 0.000 2.504 132 Y HA 0.327 4.801 4.550 -0.126 0.000 0.339 132 Y C -1.737 173.709 175.900 -0.756 0.000 0.974 132 Y CA -2.977 54.772 58.100 -0.585 0.000 1.232 132 Y CB 0.785 39.063 38.460 -0.304 0.000 1.108 132 Y HN 0.536 nan 8.280 nan 0.000 0.509 133 P HA -0.076 nan 4.420 nan 0.000 0.226 133 P C -0.108 177.115 177.300 -0.127 0.000 1.153 133 P CA 0.915 63.801 63.100 -0.357 0.000 0.777 133 P CB 0.439 32.075 31.700 -0.106 0.000 0.794 134 V N -4.625 115.236 119.914 -0.088 0.000 2.841 134 V HA 0.817 4.863 4.120 -0.124 0.000 0.310 134 V C -0.247 175.816 176.094 -0.052 0.000 1.090 134 V CA -2.046 60.226 62.300 -0.045 0.000 0.930 134 V CB 1.244 33.049 31.823 -0.031 0.000 1.014 134 V HN 0.035 nan 8.190 nan 0.000 0.425 135 A N 4.133 126.923 122.820 -0.050 0.000 2.565 135 A HA 0.536 4.782 4.320 -0.124 0.000 0.237 135 A C 0.286 177.815 177.584 -0.091 0.000 1.053 135 A CA 0.913 52.904 52.037 -0.076 0.000 0.755 135 A CB -0.140 18.825 19.000 -0.058 0.000 0.980 135 A HN 1.579 nan 8.150 nan 0.000 0.506 136 Q N 0.149 119.869 119.800 -0.133 0.000 2.776 136 Q HA 0.508 4.774 4.340 -0.124 0.000 0.289 136 Q C -1.337 174.567 176.000 -0.160 0.000 0.912 136 Q CA -0.904 54.824 55.803 -0.126 0.000 0.789 136 Q CB 0.710 29.379 28.738 -0.114 0.000 1.498 136 Q HN 0.431 nan 8.270 nan 0.000 0.408 137 T N 1.757 116.238 114.554 -0.123 0.000 2.794 137 T HA 0.576 4.852 4.350 -0.124 0.000 0.280 137 T C -0.145 174.488 174.700 -0.112 0.000 0.987 137 T CA -0.549 61.478 62.100 -0.121 0.000 0.993 137 T CB 0.570 69.387 68.868 -0.086 0.000 0.939 137 T HN 0.348 nan 8.240 nan 0.000 0.449 138 L N 4.107 125.254 121.223 -0.126 0.000 2.387 138 L HA 0.355 4.621 4.340 -0.124 0.000 0.266 138 L C -1.256 175.575 176.870 -0.065 0.000 1.059 138 L CA -2.512 52.269 54.840 -0.098 0.000 0.801 138 L CB 1.006 42.991 42.059 -0.123 0.000 1.223 138 L HN 0.393 nan 8.230 nan 0.000 0.456 139 P HA -0.158 nan 4.420 nan 0.000 0.219 139 P C 1.399 178.669 177.300 -0.049 0.000 1.146 139 P CA 1.116 64.196 63.100 -0.034 0.000 0.808 139 P CB 0.107 31.798 31.700 -0.015 0.000 0.779 140 S N -1.832 113.827 115.700 -0.068 0.000 2.507 140 S HA 0.086 4.482 4.470 -0.124 0.000 0.235 140 S C 1.814 176.374 174.600 -0.068 0.000 0.988 140 S CA 0.930 59.080 58.200 -0.084 0.000 0.944 140 S CB -1.346 61.791 63.200 -0.104 0.000 0.762 140 S HN 0.316 nan 8.310 nan 0.000 0.526 141 G N 0.223 108.984 108.800 -0.065 0.000 2.175 141 G HA2 -0.239 3.647 3.960 -0.124 0.000 0.244 141 G HA3 -0.239 3.647 3.960 -0.124 0.000 0.244 141 G C -0.121 174.736 174.900 -0.071 0.000 0.982 141 G CA 0.054 45.117 45.100 -0.060 0.000 0.641 141 G HN 0.610 nan 8.290 nan 0.000 0.527 142 Q N 0.837 120.586 119.800 -0.085 0.000 2.352 142 Q HA 0.487 4.752 4.340 -0.124 0.000 0.260 142 Q C -0.168 175.751 176.000 -0.136 0.000 0.976 142 Q CA 0.513 56.257 55.803 -0.099 0.000 0.881 142 Q CB 0.811 29.490 28.738 -0.098 0.000 1.235 142 Q HN 0.218 nan 8.270 nan 0.000 0.419 143 T N 1.879 116.352 114.554 -0.135 0.000 2.795 143 T HA 0.456 4.732 4.350 -0.124 0.000 0.282 143 T C -0.337 174.241 174.700 -0.203 0.000 0.980 143 T CA -0.672 61.332 62.100 -0.161 0.000 1.012 143 T CB 0.922 69.718 68.868 -0.121 0.000 0.936 143 T HN 0.454 nan 8.240 nan 0.000 0.457 144 V N 1.713 121.461 119.914 -0.277 0.000 2.864 144 V HA 0.659 4.705 4.120 -0.124 0.000 0.314 144 V C -0.589 175.385 176.094 -0.200 0.000 1.073 144 V CA -1.139 60.980 62.300 -0.303 0.000 0.956 144 V CB 1.804 33.203 31.823 -0.706 0.000 1.023 144 V HN 0.804 nan 8.190 nan 0.000 0.435 145 Q N 0.794 120.527 119.800 -0.112 0.000 2.193 145 Q HA 0.396 4.662 4.340 -0.124 0.000 0.246 145 Q C -0.293 175.731 176.000 0.039 0.000 0.959 145 Q CA -0.628 55.149 55.803 -0.043 0.000 0.904 145 Q CB 1.913 30.609 28.738 -0.070 0.000 1.238 145 Q HN 0.912 nan 8.270 nan 0.000 0.469 146 E N 1.065 121.292 120.200 0.045 0.000 2.414 146 E HA -0.154 4.122 4.350 -0.124 0.000 0.263 146 E C -0.621 176.038 176.600 0.098 0.000 1.000 146 E CA 0.119 56.542 56.400 0.039 0.000 0.914 146 E CB 0.275 29.997 29.700 0.036 0.000 0.948 146 E HN 0.496 nan 8.360 nan 0.000 0.444 147 D N 1.799 122.194 120.400 -0.008 0.000 3.077 147 D HA -0.250 4.316 4.640 -0.124 0.000 0.217 147 D C -0.073 176.308 176.300 0.135 0.000 1.162 147 D CA 1.020 55.050 54.000 0.049 0.000 0.943 147 D CB -1.130 39.773 40.800 0.171 0.000 1.122 147 D HN 0.675 nan 8.370 nan 0.000 0.413 148 Q N 0.395 120.313 119.800 0.197 0.000 2.315 148 Q HA 0.079 4.345 4.340 -0.124 0.000 0.289 148 Q C -0.223 175.922 176.000 0.241 0.000 1.044 148 Q CA 0.687 56.694 55.803 0.340 0.000 0.920 148 Q CB 0.531 29.501 28.738 0.387 0.000 1.214 148 Q HN 0.203 nan 8.270 nan 0.000 0.392 149 Q N 2.013 121.959 119.800 0.243 0.000 2.331 149 Q HA 0.480 4.746 4.340 -0.124 0.000 0.267 149 Q C -1.317 174.814 176.000 0.219 0.000 1.006 149 Q CA -0.512 55.373 55.803 0.137 0.000 0.818 149 Q CB 2.289 31.107 28.738 0.133 0.000 1.276 149 Q HN 0.560 nan 8.270 nan 0.000 0.450 150 S N 1.482 117.238 115.700 0.093 0.000 2.627 150 S HA 0.413 4.809 4.470 -0.124 0.000 0.283 150 S C -1.254 173.271 174.600 -0.126 0.000 1.127 150 S CA -0.927 57.336 58.200 0.104 0.000 0.863 150 S CB 1.718 65.071 63.200 0.254 0.000 1.121 150 S HN 0.389 nan 8.310 nan 0.000 0.479 151 Q N 1.263 120.944 119.800 -0.198 0.000 2.257 151 Q HA 0.699 4.965 4.340 -0.124 0.000 0.255 151 Q C -0.660 175.142 176.000 -0.330 0.000 0.920 151 Q CA -0.283 55.309 55.803 -0.351 0.000 0.927 151 Q CB 1.461 29.906 28.738 -0.488 0.000 1.229 151 Q HN 0.529 nan 8.270 nan 0.000 0.433 152 S N 1.564 116.933 115.700 -0.552 0.000 2.667 152 S HA 0.832 5.228 4.470 -0.124 0.000 0.292 152 S C -0.315 173.772 174.600 -0.854 0.000 1.126 152 S CA -0.781 57.075 58.200 -0.573 0.000 0.881 152 S CB 1.429 64.325 63.200 -0.507 0.000 1.132 152 S HN 0.595 nan 8.310 nan 0.000 0.492 153 I N -1.153 119.204 120.570 -0.354 0.000 2.828 153 I HA 1.020 5.116 4.170 -0.124 0.000 0.302 153 I C -0.732 175.471 176.117 0.143 0.000 1.101 153 I CA -1.059 60.163 61.300 -0.130 0.000 1.031 153 I CB 1.873 39.913 38.000 0.066 0.000 1.231 153 I HN 0.698 nan 8.210 nan 0.000 0.427 154 A N 3.451 126.369 122.820 0.164 0.000 2.527 154 A HA 0.915 5.161 4.320 -0.124 0.000 0.293 154 A C -1.641 176.032 177.584 0.147 0.000 1.117 154 A CA -0.601 51.486 52.037 0.083 0.000 0.723 154 A CB 1.667 20.662 19.000 -0.009 0.000 1.313 154 A HN 1.019 nan 8.150 nan 0.000 0.411 155 Y N -1.196 119.067 120.300 -0.063 0.000 2.581 155 Y HA 0.843 5.319 4.550 -0.122 0.000 0.345 155 Y C -0.405 175.244 175.900 -0.417 0.000 1.036 155 Y CA -0.872 57.117 58.100 -0.185 0.000 1.042 155 Y CB 1.523 39.674 38.460 -0.515 0.000 1.289 155 Y HN 0.813 nan 8.280 nan 0.000 0.471 156 S N 2.262 117.599 115.700 -0.604 0.000 2.538 156 S HA 0.558 4.954 4.470 -0.124 0.000 0.288 156 S C -0.758 173.608 174.600 -0.391 0.000 1.108 156 S CA -0.788 56.874 58.200 -0.896 0.000 0.971 156 S CB 0.916 62.995 63.200 -1.869 0.000 1.041 156 S HN 0.866 nan 8.310 nan 0.000 0.483 157 L N 3.111 124.183 121.223 -0.251 0.000 2.808 157 L HA 0.362 4.628 4.340 -0.124 0.000 0.246 157 L C -0.002 176.796 176.870 -0.120 0.000 1.153 157 L CA -0.009 54.761 54.840 -0.117 0.000 0.956 157 L CB 0.166 42.212 42.059 -0.022 0.000 1.270 157 L HN 0.679 nan 8.230 nan 0.000 0.528 158 D N -2.398 117.893 120.400 -0.181 0.000 2.891 158 D HA 0.067 4.633 4.640 -0.124 0.000 0.332 158 D C -0.147 176.105 176.300 -0.080 0.000 1.369 158 D CA -0.477 53.459 54.000 -0.107 0.000 0.827 158 D CB 0.059 40.805 40.800 -0.091 0.000 1.141 158 D HN -0.129 nan 8.370 nan 0.000 0.464 159 D N 0.326 120.671 120.400 -0.091 0.000 2.723 159 D HA -0.134 4.432 4.640 -0.124 0.000 0.236 159 D C 1.327 177.641 176.300 0.023 0.000 1.138 159 D CA 1.592 55.599 54.000 0.012 0.000 0.676 159 D CB -1.371 39.521 40.800 0.154 0.000 1.069 159 D HN 0.738 nan 8.370 nan 0.000 0.430 160 G N -1.137 107.523 108.800 -0.234 0.000 2.195 160 G HA2 -0.400 3.485 3.960 -0.124 0.000 0.246 160 G HA3 -0.400 3.485 3.960 -0.124 0.000 0.246 160 G C 0.951 175.949 174.900 0.164 0.000 0.984 160 G CA 0.605 45.643 45.100 -0.104 0.000 0.633 160 G HN 0.472 nan 8.290 nan 0.000 0.525 161 L N 1.653 122.934 121.223 0.098 0.000 2.017 161 L HA 0.302 4.567 4.340 -0.124 0.000 0.208 161 L C 1.752 178.695 176.870 0.122 0.000 1.073 161 L CA 3.120 58.081 54.840 0.201 0.000 0.745 161 L CB -0.427 41.697 42.059 0.108 0.000 0.894 161 L HN 0.854 nan 8.230 nan 0.000 0.432 162 T N -4.428 110.037 114.554 -0.149 0.000 2.906 162 T HA 0.491 4.766 4.350 -0.124 0.000 0.295 162 T C -1.298 173.076 174.700 -0.542 0.000 1.075 162 T CA -0.619 61.390 62.100 -0.152 0.000 1.005 162 T CB 1.267 70.068 68.868 -0.112 0.000 1.136 162 T HN 0.159 nan 8.240 nan 0.000 0.498 163 W N 0.257 121.400 121.300 -0.262 0.000 2.998 163 W HA 0.576 5.158 4.660 -0.131 0.000 0.335 163 W C -0.742 175.499 176.519 -0.464 0.000 1.110 163 W CA -0.618 56.487 57.345 -0.401 0.000 1.230 163 W CB 2.540 31.726 29.460 -0.457 0.000 1.405 163 W HN 0.723 nan 8.180 nan 0.000 0.493 164 T N 1.789 116.041 114.554 -0.504 0.000 2.786 164 T HA 0.394 4.670 4.350 -0.124 0.000 0.283 164 T C 0.115 174.551 174.700 -0.441 0.000 0.992 164 T CA -0.618 61.149 62.100 -0.555 0.000 0.954 164 T CB 0.768 69.110 68.868 -0.877 0.000 0.934 164 T HN 0.377 nan 8.240 nan 0.000 0.440 165 T N 0.816 115.263 114.554 -0.178 0.000 2.913 165 T HA 0.217 4.493 4.350 -0.124 0.000 0.297 165 T C -0.049 174.717 174.700 0.111 0.000 1.029 165 T CA -0.645 61.453 62.100 -0.002 0.000 1.104 165 T CB 0.369 69.291 68.868 0.089 0.000 0.964 165 T HN 0.465 nan 8.240 nan 0.000 0.532 166 Y N 2.071 122.397 120.300 0.043 0.000 2.735 166 Y HA 0.210 4.684 4.550 -0.126 0.000 0.354 166 Y C 0.592 176.561 175.900 0.116 0.000 1.288 166 Y CA -1.650 56.517 58.100 0.111 0.000 1.836 166 Y CB -1.220 37.353 38.460 0.188 0.000 1.920 166 Y HN 0.680 nan 8.280 nan 0.000 0.438 167 D N 2.175 122.640 120.400 0.108 0.000 2.219 167 D HA -0.144 4.422 4.640 -0.124 0.000 0.205 167 D C 2.093 178.331 176.300 -0.103 0.000 0.970 167 D CA 1.259 55.266 54.000 0.011 0.000 0.851 167 D CB -0.018 40.808 40.800 0.043 0.000 0.943 167 D HN 0.596 nan 8.370 nan 0.000 0.488 168 A N 0.369 123.090 122.820 -0.166 0.000 1.972 168 A HA 0.080 4.326 4.320 -0.124 0.000 0.219 168 A C 2.014 179.410 177.584 -0.314 0.000 1.169 168 A CA 2.050 53.974 52.037 -0.189 0.000 0.635 168 A CB -0.049 18.904 19.000 -0.078 0.000 0.810 168 A HN 0.251 nan 8.150 nan 0.000 0.446 169 A N -1.564 120.891 122.820 -0.608 0.000 2.548 169 A HA 0.290 4.536 4.320 -0.124 0.000 0.236 169 A C 0.422 177.848 177.584 -0.263 0.000 1.246 169 A CA -0.359 51.409 52.037 -0.448 0.000 0.993 169 A CB -0.075 18.612 19.000 -0.523 0.000 1.209 169 A HN 0.495 nan 8.150 nan 0.000 0.570 170 N N 2.083 120.651 118.700 -0.221 0.000 2.479 170 N HA 0.249 4.915 4.740 -0.124 0.000 0.257 170 N C -2.622 172.881 175.510 -0.010 0.000 1.232 170 N CA -0.947 52.079 53.050 -0.039 0.000 0.920 170 N CB 0.835 39.348 38.487 0.044 0.000 1.105 170 N HN 0.246 nan 8.380 nan 0.000 0.444 171 P HA -0.002 nan 4.420 nan 0.000 0.277 171 P C 0.642 177.960 177.300 0.031 0.000 1.240 171 P CA -0.244 62.877 63.100 0.035 0.000 0.798 171 P CB 1.198 32.947 31.700 0.081 0.000 0.979 172 V N 0.042 119.976 119.914 0.032 0.000 3.052 172 V HA 0.198 4.244 4.120 -0.124 0.000 0.254 172 V C 0.994 177.133 176.094 0.076 0.000 1.100 172 V CA 0.891 63.260 62.300 0.114 0.000 1.112 172 V CB -0.683 31.291 31.823 0.251 0.000 0.738 172 V HN 0.304 nan 8.190 nan 0.000 0.469 173 I N 2.089 122.633 120.570 -0.044 0.000 2.595 173 I HA 0.346 4.442 4.170 -0.124 0.000 0.275 173 I C -1.860 174.323 176.117 0.109 0.000 1.092 173 I CA -1.680 59.600 61.300 -0.033 0.000 1.145 173 I CB 1.991 39.820 38.000 -0.285 0.000 1.276 173 I HN 0.028 nan 8.210 nan 0.000 0.497 174 P HA -0.048 nan 4.420 nan 0.000 0.217 174 P C -0.214 177.227 177.300 0.234 0.000 1.151 174 P CA 1.231 64.425 63.100 0.156 0.000 0.828 174 P CB 0.137 31.885 31.700 0.081 0.000 0.788 175 N N -0.473 118.337 118.700 0.183 0.000 2.272 175 N HA 0.394 5.060 4.740 -0.124 0.000 0.305 175 N C -2.879 172.488 175.510 -0.238 0.000 1.103 175 N CA -2.151 50.934 53.050 0.059 0.000 0.791 175 N CB 0.886 39.384 38.487 0.017 0.000 1.356 175 N HN -0.114 nan 8.380 nan 0.000 0.486 176 P HA 0.107 nan 4.420 nan 0.000 0.268 176 P C -2.509 174.618 177.300 -0.287 0.000 1.208 176 P CA -0.742 61.775 63.100 -0.972 0.000 0.777 176 P CB -0.258 31.046 31.700 -0.661 0.000 0.875 177 P HA 0.014 nan 4.420 nan 0.000 0.272 177 P C -0.020 177.240 177.300 -0.067 0.000 1.223 177 P CA 0.013 63.108 63.100 -0.009 0.000 0.784 177 P CB 0.362 32.083 31.700 0.035 0.000 0.923 178 S N 2.255 117.892 115.700 -0.106 0.000 2.572 178 S HA 0.168 4.564 4.470 -0.124 0.000 0.279 178 S C -1.455 172.908 174.600 -0.395 0.000 1.341 178 S CA -0.962 57.121 58.200 -0.195 0.000 1.043 178 S CB -0.520 62.602 63.200 -0.129 0.000 0.887 178 S HN 0.350 nan 8.310 nan 0.000 0.516 179 P HA 0.207 nan 4.420 nan 0.000 0.249 179 P C -0.817 176.246 177.300 -0.395 0.000 1.583 179 P CA -0.049 62.764 63.100 -0.479 0.000 0.988 179 P CB -0.316 31.120 31.700 -0.440 0.000 1.530 180 Y N -0.049 120.213 120.300 -0.063 0.000 2.683 180 Y HA 0.207 4.682 4.550 -0.126 0.000 0.297 180 Y C 1.694 177.556 175.900 -0.064 0.000 1.147 180 Y CA -0.564 57.494 58.100 -0.071 0.000 1.274 180 Y CB -0.523 37.880 38.460 -0.095 0.000 1.143 180 Y HN -0.038 nan 8.280 nan 0.000 0.527 181 E N 0.987 121.215 120.200 0.047 0.000 2.209 181 E HA -0.204 4.072 4.350 -0.124 0.000 0.196 181 E C 2.248 178.934 176.600 0.144 0.000 0.993 181 E CA 1.255 57.682 56.400 0.045 0.000 0.819 181 E CB -0.162 29.540 29.700 0.002 0.000 0.745 181 E HN 0.470 nan 8.360 nan 0.000 0.477 182 A N 0.979 123.889 122.820 0.149 0.000 2.178 182 A HA -0.145 4.101 4.320 -0.124 0.000 0.218 182 A C 1.301 178.993 177.584 0.180 0.000 1.157 182 A CA 0.961 53.126 52.037 0.212 0.000 0.689 182 A CB -0.114 18.960 19.000 0.124 0.000 0.787 182 A HN 0.002 nan 8.150 nan 0.000 0.465 183 E N -0.618 119.649 120.200 0.111 0.000 2.445 183 E HA 0.004 4.280 4.350 -0.124 0.000 0.189 183 E C 1.045 177.651 176.600 0.010 0.000 1.069 183 E CA 0.100 56.505 56.400 0.009 0.000 0.871 183 E CB -0.680 29.014 29.700 -0.009 0.000 0.991 183 E HN 0.958 nan 8.360 nan 0.000 0.481 184 Y N 0.203 120.534 120.300 0.051 0.000 2.365 184 Y HA -0.168 4.307 4.550 -0.125 0.000 0.287 184 Y C 1.637 177.633 175.900 0.159 0.000 1.162 184 Y CA 1.154 59.315 58.100 0.101 0.000 1.260 184 Y CB -0.443 38.057 38.460 0.067 0.000 0.976 184 Y HN 0.007 nan 8.280 nan 0.000 0.548 185 Q N 0.225 119.715 119.800 -0.516 0.000 2.424 185 Q HA 0.084 4.350 4.340 -0.124 0.000 0.204 185 Q C -0.229 175.759 176.000 -0.020 0.000 0.933 185 Q CA 0.256 55.903 55.803 -0.260 0.000 0.929 185 Q CB 0.215 28.711 28.738 -0.403 0.000 1.037 185 Q HN 0.504 nan 8.270 nan 0.000 0.511 186 N N 0.143 118.858 118.700 0.025 0.000 2.750 186 N HA 0.178 4.844 4.740 -0.124 0.000 0.253 186 N C -1.867 173.779 175.510 0.227 0.000 1.408 186 N CA -0.076 53.029 53.050 0.091 0.000 0.780 186 N CB 0.993 39.488 38.487 0.014 0.000 1.191 186 N HN 0.017 nan 8.380 nan 0.000 0.511 187 F N 2.995 122.984 119.950 0.065 0.000 3.152 187 F HA 0.389 4.838 4.527 -0.130 0.000 0.367 187 F C -1.164 174.696 175.800 0.100 0.000 1.272 187 F CA -0.579 57.472 58.000 0.085 0.000 1.172 187 F CB 0.671 39.726 39.000 0.091 0.000 1.552 187 F HN 0.253 nan 8.300 nan 0.000 0.616 188 R N 2.909 123.328 120.500 -0.135 0.000 2.728 188 R HA 0.628 4.894 4.340 -0.124 0.000 0.274 188 R C -1.751 174.526 176.300 -0.038 0.000 1.030 188 R CA -0.873 55.173 56.100 -0.091 0.000 0.876 188 R CB 1.284 31.650 30.300 0.110 0.000 1.259 188 R HN 0.238 nan 8.270 nan 0.000 0.468 189 D N -0.045 120.363 120.400 0.013 0.000 2.823 189 D HA -0.061 4.505 4.640 -0.124 0.000 0.248 189 D C -2.490 173.847 176.300 0.061 0.000 1.076 189 D CA 0.482 54.525 54.000 0.072 0.000 0.760 189 D CB -0.701 40.147 40.800 0.081 0.000 1.065 189 D HN 0.520 nan 8.370 nan 0.000 0.432 190 P HA 0.172 nan 4.420 nan 0.000 0.276 190 P C -0.384 176.986 177.300 0.118 0.000 1.253 190 P CA -0.285 62.805 63.100 -0.016 0.000 0.766 190 P CB 0.143 31.732 31.700 -0.185 0.000 0.845 191 F N 5.901 125.874 119.950 0.039 0.000 2.334 191 F HA 0.348 4.809 4.527 -0.110 0.000 0.367 191 F C -0.617 175.311 175.800 0.213 0.000 1.115 191 F CA -0.912 57.157 58.000 0.114 0.000 1.116 191 F CB 0.785 39.848 39.000 0.105 0.000 1.230 191 F HN 0.088 nan 8.300 nan 0.000 0.484 192 V N 8.584 128.285 119.914 -0.356 0.000 2.612 192 V HA 0.734 4.780 4.120 -0.124 0.000 0.301 192 V C -1.112 174.902 176.094 -0.133 0.000 1.046 192 V CA -0.429 61.779 62.300 -0.154 0.000 0.946 192 V CB 1.465 33.274 31.823 -0.023 0.000 1.003 192 V HN 0.663 nan 8.190 nan 0.000 0.459 193 F N 3.944 123.951 119.950 0.094 0.000 2.693 193 F HA 0.489 4.967 4.527 -0.082 0.000 0.309 193 F C -1.250 174.936 175.800 0.644 0.000 1.129 193 F CA -1.459 56.719 58.000 0.297 0.000 0.948 193 F CB 1.215 40.311 39.000 0.160 0.000 1.315 193 F HN 0.705 nan 8.300 nan 0.000 0.447 194 W N 3.949 125.569 121.300 0.533 0.000 2.358 194 W HA 0.289 4.837 4.660 -0.186 0.000 0.307 194 W C -1.145 175.567 176.519 0.322 0.000 1.203 194 W CA -0.341 57.036 57.345 0.054 0.000 1.279 194 W CB 0.612 29.943 29.460 -0.216 0.000 1.264 194 W HN 0.826 nan 8.180 nan 0.000 0.474 195 H N 5.953 124.752 119.070 -0.452 0.000 2.911 195 H HA 0.084 4.559 4.556 -0.135 0.000 0.273 195 H C 1.252 176.267 175.328 -0.522 0.000 1.157 195 H CA 0.393 56.353 56.048 -0.147 0.000 1.402 195 H CB 0.563 30.298 29.762 -0.044 0.000 1.463 195 H HN 0.444 nan 8.280 nan 0.000 0.475 196 D N 3.816 123.982 120.400 -0.391 0.000 2.123 196 D HA -0.179 4.387 4.640 -0.124 0.000 0.196 196 D C 1.115 177.203 176.300 -0.354 0.000 0.992 196 D CA 1.373 55.212 54.000 -0.269 0.000 0.833 196 D CB 0.321 41.146 40.800 0.042 0.000 0.954 196 D HN 0.674 nan 8.370 nan 0.000 0.455 197 E N 0.560 120.431 120.200 -0.548 0.000 2.106 197 E HA -0.106 4.170 4.350 -0.124 0.000 0.192 197 E C 2.117 178.553 176.600 -0.274 0.000 0.984 197 E CA 1.250 57.437 56.400 -0.355 0.000 0.806 197 E CB -0.042 29.498 29.700 -0.266 0.000 0.750 197 E HN 0.252 nan 8.360 nan 0.000 0.458 198 S N -0.573 114.938 115.700 -0.314 0.000 2.535 198 S HA 0.019 4.415 4.470 -0.124 0.000 0.214 198 S C 0.267 174.721 174.600 -0.243 0.000 0.980 198 S CA -0.324 57.802 58.200 -0.124 0.000 0.907 198 S CB 0.274 63.508 63.200 0.056 0.000 0.790 198 S HN 0.019 nan 8.310 nan 0.000 0.510 199 Q N 0.927 120.454 119.800 -0.456 0.000 2.452 199 Q HA -0.109 4.156 4.340 -0.124 0.000 0.318 199 Q C -0.969 174.577 176.000 -0.756 0.000 1.386 199 Q CA 1.040 56.499 55.803 -0.573 0.000 0.872 199 Q CB -1.396 27.304 28.738 -0.064 0.000 1.151 199 Q HN 0.618 nan 8.270 nan 0.000 0.417 200 K N -0.416 119.295 120.400 -1.148 0.000 2.502 200 K HA 0.362 4.608 4.320 -0.124 0.000 0.257 200 K C -0.457 175.705 176.600 -0.730 0.000 0.938 200 K CA -0.655 55.219 56.287 -0.688 0.000 0.819 200 K CB 0.920 33.261 32.500 -0.265 0.000 1.333 200 K HN 0.064 nan 8.250 nan 0.000 0.434 201 W N 1.720 122.995 121.300 -0.042 0.000 2.251 201 W HA 0.220 4.703 4.660 -0.295 0.000 0.327 201 W C 0.355 176.878 176.519 0.006 0.000 1.361 201 W CA -0.563 56.824 57.345 0.070 0.000 1.234 201 W CB 0.431 29.983 29.460 0.153 0.000 1.212 201 W HN -0.007 nan 8.180 nan 0.000 0.557 202 V N 5.010 124.956 119.914 0.053 0.000 2.555 202 V HA 0.524 4.570 4.120 -0.124 0.000 0.302 202 V C -0.555 175.532 176.094 -0.011 0.000 1.038 202 V CA -1.160 61.095 62.300 -0.075 0.000 0.887 202 V CB 1.575 33.052 31.823 -0.577 0.000 0.991 202 V HN 0.338 nan 8.190 nan 0.000 0.434 203 V N 5.791 125.810 119.914 0.175 0.000 2.656 203 V HA 0.679 4.725 4.120 -0.124 0.000 0.307 203 V C -0.806 175.385 176.094 0.161 0.000 1.051 203 V CA -0.320 62.001 62.300 0.035 0.000 0.893 203 V CB 2.377 33.976 31.823 -0.374 0.000 0.999 203 V HN 0.644 nan 8.190 nan 0.000 0.426 204 V N 5.894 125.931 119.914 0.205 0.000 2.417 204 V HA 0.697 4.743 4.120 -0.124 0.000 0.291 204 V C 0.280 176.493 176.094 0.197 0.000 1.024 204 V CA -0.064 62.374 62.300 0.231 0.000 0.861 204 V CB 1.691 33.658 31.823 0.239 0.000 0.985 204 V HN 1.063 nan 8.190 nan 0.000 0.436 205 T N 0.787 115.475 114.554 0.224 0.000 2.926 205 T HA 0.695 4.971 4.350 -0.124 0.000 0.289 205 T C -0.394 174.458 174.700 0.253 0.000 1.054 205 T CA -0.802 61.401 62.100 0.170 0.000 1.015 205 T CB 1.990 70.929 68.868 0.119 0.000 1.167 205 T HN 0.578 nan 8.240 nan 0.000 0.526 206 S N 0.386 116.223 115.700 0.229 0.000 2.552 206 S HA 0.526 4.922 4.470 -0.124 0.000 0.314 206 S C -0.438 174.351 174.600 0.315 0.000 1.099 206 S CA -0.956 57.415 58.200 0.285 0.000 1.070 206 S CB -0.145 63.221 63.200 0.278 0.000 0.998 206 S HN 0.637 nan 8.310 nan 0.000 0.474 207 I N 5.352 126.084 120.570 0.269 0.000 2.243 207 I HA 0.214 4.310 4.170 -0.124 0.000 0.297 207 I C 1.465 177.599 176.117 0.029 0.000 1.161 207 I CA -0.424 60.969 61.300 0.156 0.000 1.298 207 I CB 0.387 38.380 38.000 -0.011 0.000 1.475 207 I HN 0.811 nan 8.210 nan 0.000 0.561 208 A N 4.843 127.717 122.820 0.090 0.000 1.930 208 A HA -0.108 4.137 4.320 -0.124 0.000 0.217 208 A C 2.117 179.666 177.584 -0.058 0.000 1.175 208 A CA 1.218 53.320 52.037 0.107 0.000 0.627 208 A CB -0.131 18.953 19.000 0.141 0.000 0.815 208 A HN 0.629 nan 8.150 nan 0.000 0.443 209 E N -0.069 120.032 120.200 -0.166 0.000 2.274 209 E HA -0.028 4.248 4.350 -0.124 0.000 0.194 209 E C 1.629 177.810 176.600 -0.698 0.000 0.996 209 E CA 0.579 56.785 56.400 -0.323 0.000 0.840 209 E CB -0.167 29.412 29.700 -0.203 0.000 0.772 209 E HN 0.652 nan 8.360 nan 0.000 0.491 210 L N -0.306 120.552 121.223 -0.609 0.000 2.567 210 L HA 0.076 4.341 4.340 -0.124 0.000 0.225 210 L C -0.277 176.136 176.870 -0.762 0.000 1.119 210 L CA 0.097 54.544 54.840 -0.656 0.000 0.871 210 L CB -0.549 41.170 42.059 -0.567 0.000 1.036 210 L HN 0.233 nan 8.230 nan 0.000 0.459 211 H N -0.429 118.296 119.070 -0.574 0.000 2.756 211 H HA -0.197 4.285 4.556 -0.124 0.000 0.315 211 H C 0.183 174.733 175.328 -1.297 0.000 1.210 211 H CA 0.482 55.746 56.048 -1.306 0.000 1.150 211 H CB -1.280 27.612 29.762 -1.450 0.000 1.463 211 H HN 0.307 nan 8.280 nan 0.000 0.427 212 K N 1.175 121.269 120.400 -0.510 0.000 2.498 212 K HA 0.585 4.831 4.320 -0.124 0.000 0.254 212 K C -1.021 175.635 176.600 0.094 0.000 0.933 212 K CA -0.824 55.304 56.287 -0.265 0.000 0.806 212 K CB 1.728 34.028 32.500 -0.333 0.000 1.301 212 K HN 0.141 nan 8.250 nan 0.000 0.432 213 L N 2.341 123.727 121.223 0.271 0.000 2.334 213 L HA 0.723 4.989 4.340 -0.124 0.000 0.275 213 L C -0.281 176.738 176.870 0.247 0.000 1.036 213 L CA -1.121 53.912 54.840 0.323 0.000 0.807 213 L CB 1.845 44.147 42.059 0.405 0.000 1.231 213 L HN 0.731 nan 8.230 nan 0.000 0.438 214 A N 3.923 126.897 122.820 0.257 0.000 2.304 214 A HA 0.764 5.010 4.320 -0.124 0.000 0.314 214 A C -0.656 177.023 177.584 0.158 0.000 1.187 214 A CA -0.436 51.705 52.037 0.174 0.000 0.810 214 A CB 0.633 19.782 19.000 0.248 0.000 1.183 214 A HN 0.637 nan 8.150 nan 0.000 0.487 215 I N 2.327 122.911 120.570 0.023 0.000 2.377 215 I HA 0.456 4.552 4.170 -0.124 0.000 0.293 215 I C -1.018 175.065 176.117 -0.057 0.000 0.987 215 I CA -0.457 60.901 61.300 0.096 0.000 1.185 215 I CB 1.306 39.403 38.000 0.162 0.000 1.341 215 I HN 0.676 nan 8.210 nan 0.000 0.455 216 Y N 2.686 123.106 120.300 0.200 0.000 2.570 216 Y HA 0.571 5.034 4.550 -0.145 0.000 0.345 216 Y C 0.477 176.627 175.900 0.415 0.000 1.014 216 Y CA -0.792 57.488 58.100 0.300 0.000 1.063 216 Y CB 2.338 41.006 38.460 0.347 0.000 1.272 216 Y HN 0.545 nan 8.280 nan 0.000 0.477 217 T N -1.839 113.052 114.554 0.562 0.000 2.926 217 T HA 0.817 5.093 4.350 -0.124 0.000 0.289 217 T C -0.711 174.072 174.700 0.139 0.000 1.054 217 T CA -0.883 61.448 62.100 0.385 0.000 1.015 217 T CB 1.901 70.863 68.868 0.157 0.000 1.167 217 T HN 0.604 nan 8.240 nan 0.000 0.526 218 S N -0.977 114.630 115.700 -0.155 0.000 2.547 218 S HA 0.417 4.813 4.470 -0.124 0.000 0.270 218 S C -0.972 173.591 174.600 -0.062 0.000 1.150 218 S CA -0.653 57.291 58.200 -0.426 0.000 0.850 218 S CB 1.703 64.032 63.200 -1.452 0.000 1.118 218 S HN 0.723 nan 8.310 nan 0.000 0.461 219 D N 1.824 122.198 120.400 -0.044 0.000 2.349 219 D HA 0.155 4.721 4.640 -0.124 0.000 0.214 219 D C 0.782 177.189 176.300 0.178 0.000 1.063 219 D CA 0.386 54.444 54.000 0.096 0.000 0.847 219 D CB 0.180 40.995 40.800 0.025 0.000 0.933 219 D HN 0.646 nan 8.370 nan 0.000 0.513 220 N N -0.426 118.307 118.700 0.054 0.000 1.986 220 N HA 0.004 4.669 4.740 -0.124 0.000 0.227 220 N C 0.942 176.309 175.510 -0.238 0.000 1.387 220 N CA -0.059 52.962 53.050 -0.049 0.000 0.810 220 N CB 0.167 38.577 38.487 -0.127 0.000 1.140 220 N HN -0.010 nan 8.380 nan 0.000 0.504 221 L N -1.261 119.711 121.223 -0.418 0.000 5.174 221 L HA -0.325 3.941 4.340 -0.124 0.000 0.420 221 L C 1.150 177.989 176.870 -0.052 0.000 0.973 221 L CA 1.775 56.398 54.840 -0.361 0.000 1.381 221 L CB -1.229 40.591 42.059 -0.398 0.000 1.819 221 L HN 0.229 nan 8.230 nan 0.000 0.645 222 K N -0.683 119.604 120.400 -0.189 0.000 2.306 222 K HA 0.180 4.426 4.320 -0.124 0.000 0.200 222 K C 0.129 176.743 176.600 0.023 0.000 1.083 222 K CA 0.433 56.749 56.287 0.048 0.000 0.959 222 K CB 0.468 32.980 32.500 0.021 0.000 0.994 222 K HN 0.198 nan 8.250 nan 0.000 0.492 223 D N 0.052 120.305 120.400 -0.245 0.000 2.344 223 D HA 0.181 4.747 4.640 -0.124 0.000 0.239 223 D C -1.086 175.003 176.300 -0.352 0.000 1.064 223 D CA -0.194 53.722 54.000 -0.141 0.000 0.829 223 D CB 0.992 41.742 40.800 -0.082 0.000 1.129 223 D HN -0.019 nan 8.370 nan 0.000 0.506 224 W N 1.423 122.768 121.300 0.074 0.000 2.666 224 W HA 0.367 5.168 4.660 0.236 0.000 0.334 224 W C 0.387 177.028 176.519 0.204 0.000 1.051 224 W CA -0.951 56.463 57.345 0.116 0.000 1.224 224 W CB 2.071 31.530 29.460 -0.002 0.000 1.405 224 W HN 0.012 nan 8.180 nan 0.000 0.513 225 K N 3.181 123.878 120.400 0.494 0.000 2.426 225 K HA 0.473 4.719 4.320 -0.124 0.000 0.254 225 K C -1.153 175.694 176.600 0.411 0.000 0.936 225 K CA -0.983 55.526 56.287 0.370 0.000 0.801 225 K CB 1.388 34.004 32.500 0.194 0.000 1.139 225 K HN 0.552 nan 8.250 nan 0.000 0.424 226 L N 5.824 127.203 121.223 0.260 0.000 2.462 226 L HA 0.045 4.310 4.340 -0.124 0.000 0.272 226 L C 0.487 177.316 176.870 -0.069 0.000 1.166 226 L CA 0.569 55.294 54.840 -0.192 0.000 0.880 226 L CB 1.272 43.183 42.059 -0.247 0.000 1.142 226 L HN 0.642 nan 8.230 nan 0.000 0.473 227 V N 0.772 120.637 119.914 -0.081 0.000 3.484 227 V HA 0.502 4.548 4.120 -0.124 0.000 0.252 227 V C 0.427 176.520 176.094 -0.001 0.000 1.282 227 V CA 0.796 63.092 62.300 -0.007 0.000 1.104 227 V CB -0.192 31.653 31.823 0.036 0.000 0.868 227 V HN 0.902 nan 8.190 nan 0.000 0.457 228 S N -0.683 115.015 115.700 -0.003 0.000 2.611 228 S HA 0.672 5.068 4.470 -0.124 0.000 0.268 228 S C -1.471 173.168 174.600 0.064 0.000 1.156 228 S CA -0.708 57.523 58.200 0.051 0.000 0.817 228 S CB 2.264 65.534 63.200 0.116 0.000 1.122 228 S HN 0.451 nan 8.310 nan 0.000 0.466 229 E N 0.039 120.307 120.200 0.113 0.000 2.288 229 E HA 0.651 4.927 4.350 -0.124 0.000 0.268 229 E C -1.864 174.876 176.600 0.234 0.000 0.885 229 E CA -0.616 55.872 56.400 0.147 0.000 0.767 229 E CB 2.311 32.072 29.700 0.101 0.000 1.220 229 E HN 0.515 nan 8.360 nan 0.000 0.427 230 F N 1.624 121.635 119.950 0.101 0.000 2.529 230 F HA 0.652 5.105 4.527 -0.123 0.000 0.320 230 F C 0.239 176.089 175.800 0.082 0.000 1.118 230 F CA 0.373 58.457 58.000 0.141 0.000 0.915 230 F CB 1.436 40.545 39.000 0.182 0.000 1.161 230 F HN 0.635 nan 8.300 nan 0.000 0.445 231 G N 5.106 113.413 108.800 -0.822 0.000 2.685 231 G HA2 -0.053 3.833 3.960 -0.124 0.000 0.387 231 G HA3 -0.053 3.833 3.960 -0.124 0.000 0.387 231 G C -3.234 171.228 174.900 -0.730 0.000 1.324 231 G CA -0.787 43.721 45.100 -0.988 0.000 0.878 231 G HN 0.596 nan 8.290 nan 0.000 0.527 232 P HA 0.614 nan 4.420 nan 0.000 0.276 232 P C -1.094 175.754 177.300 -0.753 0.000 1.244 232 P CA 0.044 62.694 63.100 -0.749 0.000 0.801 232 P CB 0.567 31.927 31.700 -0.567 0.000 1.006 233 Y N -0.885 119.403 120.300 -0.021 0.000 2.625 233 Y HA 0.255 4.730 4.550 -0.125 0.000 0.338 233 Y C 1.001 177.112 175.900 0.352 0.000 1.123 233 Y CA -0.446 57.714 58.100 0.100 0.000 1.046 233 Y CB 0.980 39.454 38.460 0.023 0.000 1.299 233 Y HN 0.365 nan 8.280 nan 0.000 0.464 234 N N -0.057 118.908 118.700 0.442 0.000 1.170 234 N HA -0.279 4.387 4.740 -0.124 0.000 0.121 234 N C -0.369 175.298 175.510 0.261 0.000 0.786 234 N CA 1.107 54.351 53.050 0.323 0.000 0.876 234 N CB -1.343 37.302 38.487 0.262 0.000 1.094 234 N HN 0.927 nan 8.380 nan 0.000 0.586 235 A N 0.510 123.426 122.820 0.160 0.000 2.491 235 A HA 0.304 4.550 4.320 -0.124 0.000 0.261 235 A C 0.576 178.346 177.584 0.310 0.000 1.101 235 A CA 0.534 52.673 52.037 0.170 0.000 0.772 235 A CB -0.125 18.898 19.000 0.039 0.000 1.043 235 A HN 0.420 nan 8.150 nan 0.000 0.501 236 Q N 2.071 121.964 119.800 0.155 0.000 2.055 236 Q HA 0.173 4.439 4.340 -0.124 0.000 0.226 236 Q C 1.145 177.016 176.000 -0.215 0.000 0.805 236 Q CA 0.365 56.091 55.803 -0.129 0.000 1.072 236 Q CB 1.072 29.661 28.738 -0.250 0.000 1.219 236 Q HN 0.883 nan 8.270 nan 0.000 0.451 237 G N 0.047 108.862 108.800 0.026 0.000 3.262 237 G HA2 0.422 4.308 3.960 -0.124 0.000 0.228 237 G HA3 0.422 4.308 3.960 -0.124 0.000 0.228 237 G C 0.307 175.267 174.900 0.100 0.000 1.197 237 G CA 0.440 45.577 45.100 0.061 0.000 0.819 237 G HN 0.257 nan 8.290 nan 0.000 0.531 238 G N -1.058 107.821 108.800 0.132 0.000 2.576 238 G HA2 0.518 4.404 3.960 -0.124 0.000 0.290 238 G HA3 0.518 4.404 3.960 -0.124 0.000 0.290 238 G C -0.662 174.478 174.900 0.399 0.000 1.442 238 G CA -0.060 45.174 45.100 0.224 0.000 0.792 238 G HN 0.753 nan 8.290 nan 0.000 0.491 239 V N -1.761 118.366 119.914 0.355 0.000 2.655 239 V HA 0.435 4.481 4.120 -0.124 0.000 0.300 239 V C -0.355 176.075 176.094 0.561 0.000 1.044 239 V CA -0.820 61.717 62.300 0.396 0.000 1.095 239 V CB 0.425 32.358 31.823 0.183 0.000 0.952 239 V HN 0.517 nan 8.190 nan 0.000 0.485 240 W N 3.312 124.783 121.300 0.284 0.000 2.287 240 W HA 0.609 5.192 4.660 -0.127 0.000 0.313 240 W C 0.446 177.076 176.519 0.186 0.000 1.267 240 W CA -0.448 57.044 57.345 0.245 0.000 1.201 240 W CB 0.075 29.681 29.460 0.243 0.000 1.196 240 W HN 0.760 nan 8.180 nan 0.000 0.536 241 E N 0.959 121.343 120.200 0.306 0.000 2.429 241 E HA 0.367 4.643 4.350 -0.124 0.000 0.276 241 E C -0.675 175.950 176.600 0.043 0.000 0.953 241 E CA -0.955 55.554 56.400 0.181 0.000 0.787 241 E CB 1.810 31.629 29.700 0.199 0.000 1.307 241 E HN 0.284 nan 8.360 nan 0.000 0.458 242 C N 1.557 120.864 119.300 0.012 0.000 4.056 242 C HA -0.094 4.292 4.460 -0.124 0.000 0.302 242 C C -1.962 172.989 174.990 -0.066 0.000 1.356 242 C CA -0.366 58.611 59.018 -0.069 0.000 2.074 242 C CB -2.537 25.078 27.740 -0.208 0.000 1.328 242 C HN 0.493 nan 8.230 nan 0.000 0.684 243 P HA 0.514 nan 4.420 nan 0.000 0.274 243 P C 0.324 177.580 177.300 -0.073 0.000 1.231 243 P CA 0.968 64.071 63.100 0.005 0.000 0.790 243 P CB 1.212 32.978 31.700 0.109 0.000 0.951 244 G N 0.515 109.214 108.800 -0.168 0.000 2.677 244 G HA2 0.559 4.445 3.960 -0.124 0.000 0.291 244 G HA3 0.559 4.445 3.960 -0.124 0.000 0.291 244 G C -2.361 172.380 174.900 -0.266 0.000 1.435 244 G CA -0.539 44.301 45.100 -0.433 0.000 0.826 244 G HN 0.588 nan 8.290 nan 0.000 0.491 245 L N 0.834 121.914 121.223 -0.239 0.000 2.516 245 L HA 0.854 5.120 4.340 -0.124 0.000 0.267 245 L C -1.417 175.385 176.870 -0.113 0.000 0.957 245 L CA -0.802 53.957 54.840 -0.135 0.000 0.860 245 L CB 1.805 43.778 42.059 -0.144 0.000 1.265 245 L HN 0.860 nan 8.230 nan 0.000 0.403 246 V N 4.454 124.356 119.914 -0.021 0.000 3.012 246 V HA 0.536 4.582 4.120 -0.124 0.000 0.307 246 V C -1.072 174.747 176.094 -0.457 0.000 1.166 246 V CA -0.776 61.373 62.300 -0.253 0.000 0.974 246 V CB 2.433 34.033 31.823 -0.371 0.000 1.040 246 V HN 0.864 nan 8.190 nan 0.000 0.428 247 K N 5.291 125.072 120.400 -1.032 0.000 2.248 247 K HA 0.625 4.871 4.320 -0.124 0.000 0.281 247 K C -1.225 175.063 176.600 -0.521 0.000 1.054 247 K CA -0.395 55.220 56.287 -1.120 0.000 0.903 247 K CB 0.649 32.289 32.500 -1.434 0.000 1.077 247 K HN 0.638 nan 8.250 nan 0.000 0.474 248 L N 6.379 127.399 121.223 -0.338 0.000 2.334 248 L HA 0.546 4.812 4.340 -0.124 0.000 0.273 248 L C -2.078 174.745 176.870 -0.079 0.000 1.013 248 L CA -2.567 52.183 54.840 -0.148 0.000 0.816 248 L CB 1.770 43.745 42.059 -0.140 0.000 1.278 248 L HN 0.597 nan 8.230 nan 0.000 0.431 249 P HA 0.109 nan 4.420 nan 0.000 0.275 249 P C -1.072 176.234 177.300 0.011 0.000 1.227 249 P CA -0.366 62.736 63.100 0.004 0.000 0.781 249 P CB 1.612 33.330 31.700 0.030 0.000 0.906 250 L N 3.704 124.938 121.223 0.019 0.000 2.305 250 L HA 0.420 4.686 4.340 -0.124 0.000 0.284 250 L C 0.182 177.072 176.870 0.033 0.000 1.013 250 L CA 0.438 55.296 54.840 0.030 0.000 0.819 250 L CB 0.122 42.203 42.059 0.037 0.000 1.227 250 L HN 0.440 nan 8.230 nan 0.000 0.417 251 D N 2.237 122.658 120.400 0.035 0.000 3.497 251 D HA -0.269 4.297 4.640 -0.124 0.000 0.178 251 D C 0.538 176.855 176.300 0.028 0.000 1.185 251 D CA 1.352 55.371 54.000 0.032 0.000 1.091 251 D CB -0.689 40.131 40.800 0.032 0.000 0.574 251 D HN 0.606 nan 8.370 nan 0.000 0.650 252 S N -0.270 115.444 115.700 0.023 0.000 2.526 252 S HA 0.362 4.758 4.470 -0.124 0.000 0.220 252 S C 0.873 175.484 174.600 0.017 0.000 1.017 252 S CA 0.443 58.654 58.200 0.018 0.000 0.930 252 S CB 1.034 64.242 63.200 0.014 0.000 0.856 252 S HN 0.595 nan 8.310 nan 0.000 0.497 253 G N 2.674 111.486 108.800 0.020 0.000 2.624 253 G HA2 0.153 4.039 3.960 -0.124 0.000 0.217 253 G HA3 0.153 4.039 3.960 -0.124 0.000 0.217 253 G C 0.347 175.260 174.900 0.021 0.000 1.506 253 G CA -0.137 44.975 45.100 0.019 0.000 1.072 253 G HN 0.463 nan 8.290 nan 0.000 0.568 254 N N -1.178 117.535 118.700 0.022 0.000 2.235 254 N HA 0.144 4.810 4.740 -0.124 0.000 0.209 254 N C 0.296 175.822 175.510 0.027 0.000 1.122 254 N CA -0.312 52.752 53.050 0.023 0.000 0.845 254 N CB 0.503 39.004 38.487 0.024 0.000 1.004 254 N HN 0.131 nan 8.380 nan 0.000 0.499 255 S N 0.360 116.077 115.700 0.028 0.000 2.576 255 S HA 0.420 4.816 4.470 -0.124 0.000 0.276 255 S C 0.401 175.017 174.600 0.026 0.000 1.339 255 S CA -0.216 58.003 58.200 0.033 0.000 1.039 255 S CB 0.646 63.868 63.200 0.036 0.000 0.902 255 S HN 0.618 nan 8.310 nan 0.000 0.516 256 T N 0.633 115.204 114.554 0.028 0.000 2.865 256 T HA 0.731 5.007 4.350 -0.124 0.000 0.294 256 T C -1.429 173.287 174.700 0.027 0.000 1.119 256 T CA -1.030 61.070 62.100 -0.000 0.000 1.007 256 T CB 1.569 70.409 68.868 -0.047 0.000 1.225 256 T HN 0.380 nan 8.240 nan 0.000 0.515 257 K N -0.002 120.397 120.400 -0.002 0.000 2.551 257 K HA 0.323 4.569 4.320 -0.124 0.000 0.269 257 K C -1.747 174.893 176.600 0.066 0.000 0.949 257 K CA -0.443 55.903 56.287 0.099 0.000 0.849 257 K CB 2.302 34.875 32.500 0.122 0.000 1.411 257 K HN 0.752 nan 8.250 nan 0.000 0.432 258 W N 0.843 122.242 121.300 0.166 0.000 2.381 258 W HA 0.466 5.053 4.660 -0.121 0.000 0.329 258 W C -0.023 176.674 176.519 0.296 0.000 1.157 258 W CA -0.424 57.056 57.345 0.226 0.000 1.240 258 W CB 1.157 30.830 29.460 0.355 0.000 1.199 258 W HN 0.012 nan 8.180 nan 0.000 0.579 259 V N 4.917 125.050 119.914 0.364 0.000 2.577 259 V HA 0.355 4.401 4.120 -0.124 0.000 0.303 259 V C -0.220 175.855 176.094 -0.031 0.000 1.042 259 V CA -1.121 61.292 62.300 0.189 0.000 0.872 259 V CB 1.452 33.277 31.823 0.005 0.000 0.998 259 V HN 0.339 nan 8.190 nan 0.000 0.423 260 I N 4.685 125.121 120.570 -0.224 0.000 2.342 260 I HA 0.385 4.480 4.170 -0.124 0.000 0.291 260 I C 0.581 176.669 176.117 -0.048 0.000 1.010 260 I CA 0.030 61.142 61.300 -0.314 0.000 1.308 260 I CB 1.801 39.370 38.000 -0.719 0.000 1.400 260 I HN 0.732 nan 8.210 nan 0.000 0.488 261 T N 2.307 116.821 114.554 -0.066 0.000 2.859 261 T HA 0.737 5.013 4.350 -0.124 0.000 0.281 261 T C -0.297 174.369 174.700 -0.056 0.000 1.005 261 T CA -0.750 61.337 62.100 -0.021 0.000 1.025 261 T CB 1.675 70.569 68.868 0.044 0.000 0.977 261 T HN 0.648 nan 8.240 nan 0.000 0.458 262 S N 0.629 116.275 115.700 -0.089 0.000 2.537 262 S HA 0.760 5.156 4.470 -0.124 0.000 0.271 262 S C -0.192 174.309 174.600 -0.165 0.000 1.148 262 S CA -0.899 57.210 58.200 -0.152 0.000 0.868 262 S CB 1.265 64.321 63.200 -0.241 0.000 1.115 262 S HN 1.244 nan 8.310 nan 0.000 0.461 263 G N 0.814 109.540 108.800 -0.123 0.000 2.461 263 G HA2 0.779 4.665 3.960 -0.124 0.000 0.329 263 G HA3 0.779 4.665 3.960 -0.124 0.000 0.329 263 G C -0.697 174.311 174.900 0.181 0.000 1.170 263 G CA -1.057 44.069 45.100 0.043 0.000 0.935 263 G HN 1.563 nan 8.290 nan 0.000 0.492 264 L N -1.204 120.279 121.223 0.434 0.000 2.466 264 L HA 0.847 5.113 4.340 -0.124 0.000 0.258 264 L C -1.536 175.533 176.870 0.331 0.000 0.973 264 L CA -1.248 53.823 54.840 0.386 0.000 0.826 264 L CB 2.732 44.976 42.059 0.307 0.000 1.372 264 L HN 0.471 nan 8.230 nan 0.000 0.409 265 N N 2.554 121.404 118.700 0.250 0.000 2.500 265 N HA 0.630 5.296 4.740 -0.124 0.000 0.291 265 N C -2.772 172.788 175.510 0.084 0.000 1.092 265 N CA -1.214 51.886 53.050 0.084 0.000 0.890 265 N CB 2.980 41.473 38.487 0.010 0.000 1.466 265 N HN 0.506 nan 8.380 nan 0.000 0.507 266 P HA 0.339 nan 4.420 nan 0.000 0.342 266 P C 0.175 177.529 177.300 0.091 0.000 1.384 266 P CA 0.533 63.660 63.100 0.046 0.000 0.837 266 P CB 0.110 31.830 31.700 0.033 0.000 2.025 267 G N -1.693 107.154 108.800 0.078 0.000 2.160 267 G HA2 -0.117 3.769 3.960 -0.124 0.000 0.244 267 G HA3 -0.117 3.769 3.960 -0.124 0.000 0.244 267 G C 0.632 175.621 174.900 0.149 0.000 1.022 267 G CA 0.062 45.233 45.100 0.118 0.000 0.741 267 G HN 0.782 nan 8.290 nan 0.000 0.508 268 G N 0.177 108.989 108.800 0.021 0.000 2.583 268 G HA2 0.562 4.448 3.960 -0.124 0.000 0.275 268 G HA3 0.562 4.448 3.960 -0.124 0.000 0.275 268 G C -1.264 173.248 174.900 -0.647 0.000 1.342 268 G CA -0.178 44.826 45.100 -0.160 0.000 1.030 268 G HN 0.346 nan 8.290 nan 0.000 0.520 269 P HA 0.175 nan 4.420 nan 0.000 0.269 269 P C -2.587 174.330 177.300 -0.639 0.000 1.215 269 P CA -1.035 61.061 63.100 -1.674 0.000 0.780 269 P CB -0.101 30.668 31.700 -1.552 0.000 0.898 270 P HA -0.011 nan 4.420 nan 0.000 0.261 270 P C 1.106 178.441 177.300 0.058 0.000 1.173 270 P CA 1.767 64.842 63.100 -0.042 0.000 0.760 270 P CB -0.283 31.495 31.700 0.130 0.000 0.783 271 G N 1.483 110.328 108.800 0.075 0.000 2.213 271 G HA2 -0.192 3.694 3.960 -0.124 0.000 0.236 271 G HA3 -0.192 3.694 3.960 -0.124 0.000 0.236 271 G C 0.289 175.306 174.900 0.194 0.000 0.991 271 G CA 0.266 45.450 45.100 0.142 0.000 0.629 271 G HN 0.836 nan 8.290 nan 0.000 0.517 272 T N -1.839 112.794 114.554 0.130 0.000 2.950 272 T HA 0.745 5.021 4.350 -0.124 0.000 0.288 272 T C -0.518 174.226 174.700 0.073 0.000 1.035 272 T CA -0.327 61.868 62.100 0.158 0.000 1.028 272 T CB 2.806 71.672 68.868 -0.004 0.000 1.109 272 T HN 0.905 nan 8.240 nan 0.000 0.514 273 V N 2.003 121.978 119.914 0.101 0.000 2.376 273 V HA 0.773 4.819 4.120 -0.124 0.000 0.287 273 V C 0.897 177.012 176.094 0.035 0.000 1.015 273 V CA 0.452 62.793 62.300 0.069 0.000 0.834 273 V CB 0.218 32.098 31.823 0.095 0.000 1.001 273 V HN 1.610 nan 8.190 nan 0.000 0.428 274 G N 4.346 113.144 108.800 -0.003 0.000 2.341 274 G HA2 -0.001 3.885 3.960 -0.124 0.000 0.196 274 G HA3 -0.001 3.885 3.960 -0.124 0.000 0.196 274 G C -0.196 174.654 174.900 -0.084 0.000 1.231 274 G CA -0.276 44.796 45.100 -0.047 0.000 1.155 274 G HN 1.251 nan 8.290 nan 0.000 0.529 275 S N -0.171 115.423 115.700 -0.176 0.000 2.601 275 S HA 0.840 5.236 4.470 -0.124 0.000 0.271 275 S C 0.559 175.081 174.600 -0.129 0.000 1.305 275 S CA 0.889 58.902 58.200 -0.312 0.000 1.022 275 S CB 1.553 64.224 63.200 -0.883 0.000 0.940 275 S HN 2.497 nan 8.310 nan 0.000 0.525 276 G N 0.128 109.006 108.800 0.131 0.000 2.554 276 G HA2 0.577 4.463 3.960 -0.124 0.000 0.306 276 G HA3 0.577 4.463 3.960 -0.124 0.000 0.306 276 G C -1.585 173.625 174.900 0.516 0.000 1.320 276 G CA -0.750 44.543 45.100 0.321 0.000 0.800 276 G HN 0.785 nan 8.290 nan 0.000 0.481 277 T N 0.891 115.720 114.554 0.458 0.000 2.841 277 T HA 0.597 4.872 4.350 -0.124 0.000 0.285 277 T C -0.195 174.651 174.700 0.243 0.000 0.991 277 T CA -0.491 61.803 62.100 0.323 0.000 0.966 277 T CB 1.513 70.582 68.868 0.334 0.000 0.962 277 T HN 0.802 nan 8.240 nan 0.000 0.438 278 Q N 2.208 121.971 119.800 -0.062 0.000 2.445 278 Q HA 0.810 5.076 4.340 -0.124 0.000 0.281 278 Q C -1.380 174.423 176.000 -0.330 0.000 1.101 278 Q CA -1.114 54.426 55.803 -0.438 0.000 0.833 278 Q CB 2.034 30.234 28.738 -0.897 0.000 1.416 278 Q HN 0.787 nan 8.270 nan 0.000 0.451 279 Y N -1.771 118.130 120.300 -0.665 0.000 2.689 279 Y HA 0.817 5.293 4.550 -0.125 0.000 0.333 279 Y C -1.860 173.515 175.900 -0.875 0.000 1.190 279 Y CA -1.529 56.228 58.100 -0.572 0.000 1.063 279 Y CB 1.553 39.854 38.460 -0.265 0.000 1.294 279 Y HN 0.564 nan 8.280 nan 0.000 0.466 280 F N 0.380 120.412 119.950 0.137 0.000 2.581 280 F HA 0.640 5.093 4.527 -0.123 0.000 0.311 280 F C -1.094 174.908 175.800 0.338 0.000 1.113 280 F CA -1.256 56.829 58.000 0.142 0.000 0.935 280 F CB 2.293 41.402 39.000 0.181 0.000 1.232 280 F HN 0.390 nan 8.300 nan 0.000 0.445 281 V N 2.008 122.223 119.914 0.502 0.000 2.435 281 V HA 0.962 5.008 4.120 -0.124 0.000 0.290 281 V C 0.161 176.465 176.094 0.351 0.000 1.030 281 V CA -0.111 62.449 62.300 0.433 0.000 0.881 281 V CB 0.986 32.989 31.823 0.299 0.000 0.983 281 V HN 1.059 nan 8.190 nan 0.000 0.445 282 G N 3.809 112.782 108.800 0.290 0.000 2.529 282 G HA2 0.564 4.450 3.960 -0.124 0.000 0.238 282 G HA3 0.564 4.450 3.960 -0.124 0.000 0.238 282 G C -1.636 173.244 174.900 -0.035 0.000 1.207 282 G CA -0.351 44.673 45.100 -0.126 0.000 0.928 282 G HN 0.446 nan 8.290 nan 0.000 0.495 283 E N -0.806 119.212 120.200 -0.303 0.000 2.343 283 E HA 0.670 4.946 4.350 -0.124 0.000 0.270 283 E C -1.977 174.527 176.600 -0.160 0.000 0.895 283 E CA -0.587 55.801 56.400 -0.021 0.000 0.767 283 E CB 2.983 32.673 29.700 -0.017 0.000 1.248 283 E HN 0.348 nan 8.360 nan 0.000 0.440 284 F N 2.341 122.053 119.950 -0.397 0.000 2.561 284 F HA 0.269 4.713 4.527 -0.138 0.000 0.313 284 F C -0.500 175.041 175.800 -0.432 0.000 1.126 284 F CA -0.993 56.648 58.000 -0.599 0.000 0.918 284 F CB 1.396 39.682 39.000 -1.191 0.000 1.199 284 F HN 0.309 nan 8.300 nan 0.000 0.444 285 D N 2.312 122.091 120.400 -1.035 0.000 2.538 285 D HA 0.291 4.857 4.640 -0.124 0.000 0.231 285 D C 1.332 177.173 176.300 -0.765 0.000 1.229 285 D CA 0.385 54.012 54.000 -0.620 0.000 0.828 285 D CB 0.320 40.916 40.800 -0.339 0.000 1.035 285 D HN 0.978 nan 8.370 nan 0.000 0.495 286 G N 0.301 108.089 108.800 -1.688 0.000 2.253 286 G HA2 -0.380 3.506 3.960 -0.124 0.000 0.251 286 G HA3 -0.380 3.506 3.960 -0.124 0.000 0.251 286 G C 1.112 175.536 174.900 -0.794 0.000 0.998 286 G CA 1.111 45.467 45.100 -1.241 0.000 0.621 286 G HN 0.684 nan 8.290 nan 0.000 0.524 287 T N -4.228 109.880 114.554 -0.743 0.000 3.115 287 T HA 0.430 4.706 4.350 -0.124 0.000 0.256 287 T C 0.686 175.369 174.700 -0.028 0.000 0.970 287 T CA 1.323 63.285 62.100 -0.229 0.000 1.010 287 T CB 0.980 69.765 68.868 -0.139 0.000 1.151 287 T HN 0.509 nan 8.240 nan 0.000 0.479 288 T N 2.379 116.846 114.554 -0.145 0.000 2.807 288 T HA 0.601 4.877 4.350 -0.124 0.000 0.279 288 T C -1.784 173.044 174.700 0.214 0.000 0.993 288 T CA -0.526 61.625 62.100 0.085 0.000 0.970 288 T CB 1.406 70.281 68.868 0.012 0.000 0.950 288 T HN 0.301 nan 8.240 nan 0.000 0.441 289 F N 3.518 123.623 119.950 0.259 0.000 2.390 289 F HA 0.403 4.854 4.527 -0.127 0.000 0.361 289 F C 0.274 176.145 175.800 0.117 0.000 1.124 289 F CA -0.345 57.751 58.000 0.160 0.000 1.149 289 F CB 0.577 39.516 39.000 -0.101 0.000 1.160 289 F HN 0.365 nan 8.300 nan 0.000 0.501 290 T N 8.643 122.929 114.554 -0.447 0.000 2.733 290 T HA 0.302 4.578 4.350 -0.124 0.000 0.294 290 T C -2.553 171.806 174.700 -0.569 0.000 0.956 290 T CA -1.301 60.613 62.100 -0.310 0.000 0.987 290 T CB 0.850 69.608 68.868 -0.184 0.000 0.920 290 T HN 0.347 nan 8.240 nan 0.000 0.470 291 P HA 0.230 nan 4.420 nan 0.000 0.275 291 P C -0.401 176.827 177.300 -0.120 0.000 1.227 291 P CA -0.532 62.489 63.100 -0.131 0.000 0.781 291 P CB 0.665 32.367 31.700 0.003 0.000 0.906 292 D N 1.299 121.665 120.400 -0.058 0.000 2.400 292 D HA 0.081 4.647 4.640 -0.124 0.000 0.238 292 D C 1.574 177.847 176.300 -0.045 0.000 1.157 292 D CA 0.072 54.054 54.000 -0.031 0.000 0.889 292 D CB 0.490 41.304 40.800 0.023 0.000 1.199 292 D HN 0.315 nan 8.370 nan 0.000 0.436 293 A N 2.389 125.191 122.820 -0.030 0.000 1.986 293 A HA -0.209 4.037 4.320 -0.124 0.000 0.220 293 A C 1.357 178.915 177.584 -0.042 0.000 1.171 293 A CA 1.821 53.839 52.037 -0.032 0.000 0.640 293 A CB -0.252 18.746 19.000 -0.003 0.000 0.811 293 A HN 0.650 nan 8.150 nan 0.000 0.451 294 D N -2.624 117.767 120.400 -0.015 0.000 2.340 294 D HA 0.024 4.590 4.640 -0.124 0.000 0.217 294 D C 1.199 177.458 176.300 -0.068 0.000 1.081 294 D CA 1.013 55.023 54.000 0.016 0.000 0.842 294 D CB -0.524 40.329 40.800 0.088 0.000 0.934 294 D HN 0.209 nan 8.370 nan 0.000 0.511 295 T N -0.112 114.346 114.554 -0.160 0.000 3.057 295 T HA 0.132 4.408 4.350 -0.124 0.000 0.254 295 T C 0.574 174.897 174.700 -0.629 0.000 1.094 295 T CA 0.231 62.185 62.100 -0.244 0.000 1.088 295 T CB 0.034 68.915 68.868 0.022 0.000 0.934 295 T HN 0.150 nan 8.240 nan 0.000 0.497 296 V N 0.247 119.787 119.914 -0.623 0.000 2.581 296 V HA 0.730 4.776 4.120 -0.124 0.000 0.303 296 V C -1.341 174.356 176.094 -0.663 0.000 1.041 296 V CA -1.354 60.591 62.300 -0.592 0.000 0.907 296 V CB 0.974 32.571 31.823 -0.377 0.000 0.994 296 V HN 0.122 nan 8.190 nan 0.000 0.442 297 Y N 2.527 122.885 120.300 0.097 0.000 2.409 297 Y HA 0.712 5.189 4.550 -0.122 0.000 0.343 297 Y C -2.323 173.637 175.900 0.100 0.000 0.973 297 Y CA -2.994 55.154 58.100 0.080 0.000 1.064 297 Y CB 1.351 39.846 38.460 0.059 0.000 1.207 297 Y HN 0.510 nan 8.280 nan 0.000 0.452 298 P HA 0.273 nan 4.420 nan 0.000 0.265 298 P C 0.540 177.935 177.300 0.158 0.000 1.187 298 P CA 1.022 64.216 63.100 0.157 0.000 0.766 298 P CB 0.531 32.306 31.700 0.125 0.000 0.820 299 G N 2.899 111.775 108.800 0.127 0.000 2.545 299 G HA2 -0.151 3.735 3.960 -0.124 0.000 0.216 299 G HA3 -0.151 3.735 3.960 -0.124 0.000 0.216 299 G C -0.226 174.750 174.900 0.127 0.000 1.314 299 G CA 0.074 45.241 45.100 0.112 0.000 0.906 299 G HN 0.752 nan 8.290 nan 0.000 0.563 300 N N -0.963 117.808 118.700 0.118 0.000 2.301 300 N HA 0.320 4.986 4.740 -0.124 0.000 0.247 300 N C 0.905 176.495 175.510 0.133 0.000 1.347 300 N CA 1.064 54.185 53.050 0.118 0.000 0.844 300 N CB 0.386 38.916 38.487 0.072 0.000 1.332 300 N HN 1.046 nan 8.380 nan 0.000 0.494 301 S N -1.444 114.345 115.700 0.147 0.000 2.891 301 S HA 0.196 4.592 4.470 -0.124 0.000 0.247 301 S C 0.599 175.308 174.600 0.182 0.000 1.063 301 S CA 0.138 58.434 58.200 0.159 0.000 0.857 301 S CB -0.478 62.802 63.200 0.134 0.000 0.800 301 S HN 0.060 nan 8.310 nan 0.000 0.540 302 T N 3.067 117.717 114.554 0.159 0.000 2.928 302 T HA 0.632 4.908 4.350 -0.124 0.000 0.305 302 T C -0.018 174.753 174.700 0.117 0.000 1.035 302 T CA 0.571 62.736 62.100 0.109 0.000 1.145 302 T CB 0.761 69.617 68.868 -0.021 0.000 0.963 302 T HN 0.735 nan 8.240 nan 0.000 0.545 303 A N 3.346 126.104 122.820 -0.104 0.000 2.593 303 A HA 0.673 4.919 4.320 -0.124 0.000 0.290 303 A C -1.024 176.164 177.584 -0.659 0.000 1.126 303 A CA -1.216 50.554 52.037 -0.445 0.000 0.695 303 A CB 1.136 19.517 19.000 -1.032 0.000 1.290 303 A HN 0.804 nan 8.150 nan 0.000 0.414 304 N N 0.328 118.547 118.700 -0.801 0.000 2.426 304 N HA 0.420 5.086 4.740 -0.124 0.000 0.257 304 N C -1.531 173.356 175.510 -1.039 0.000 1.002 304 N CA 0.023 52.548 53.050 -0.876 0.000 0.942 304 N CB 0.634 38.271 38.487 -1.416 0.000 1.112 304 N HN 0.611 nan 8.380 nan 0.000 0.499 305 W N 2.730 123.782 121.300 -0.414 0.000 2.338 305 W HA 0.287 4.873 4.660 -0.123 0.000 0.307 305 W C 1.505 178.000 176.519 -0.040 0.000 1.167 305 W CA -0.809 56.278 57.345 -0.430 0.000 1.208 305 W CB 0.793 29.569 29.460 -1.140 0.000 1.228 305 W HN 0.532 nan 8.180 nan 0.000 0.499 306 M N 1.155 120.929 119.600 0.291 0.000 2.175 306 M HA -0.111 4.295 4.480 -0.124 0.000 0.264 306 M C 0.038 176.378 176.300 0.067 0.000 1.063 306 M CA 1.914 57.346 55.300 0.219 0.000 1.119 306 M CB 0.168 32.895 32.600 0.212 0.000 1.377 306 M HN 0.303 nan 8.290 nan 0.000 0.415 307 D N -2.021 118.422 120.400 0.073 0.000 2.934 307 D HA 0.092 4.657 4.640 -0.124 0.000 0.230 307 D C -1.090 175.189 176.300 -0.034 0.000 1.204 307 D CA -0.433 53.555 54.000 -0.021 0.000 0.873 307 D CB 0.878 41.566 40.800 -0.187 0.000 1.645 307 D HN 0.288 nan 8.370 nan 0.000 0.502 308 W N 2.076 123.351 121.300 -0.041 0.000 3.290 308 W HA 0.280 4.866 4.660 -0.122 0.000 0.287 308 W C 1.311 177.730 176.519 -0.166 0.000 1.288 308 W CA -0.229 57.054 57.345 -0.102 0.000 1.725 308 W CB 0.614 30.051 29.460 -0.039 0.000 1.103 308 W HN 0.306 nan 8.180 nan 0.000 0.670 309 G N 0.713 109.496 108.800 -0.028 0.000 2.511 309 G HA2 0.271 4.157 3.960 -0.124 0.000 0.316 309 G HA3 0.271 4.157 3.960 -0.124 0.000 0.316 309 G C -1.630 173.071 174.900 -0.332 0.000 1.210 309 G CA -0.969 43.984 45.100 -0.245 0.000 0.969 309 G HN -0.233 nan 8.290 nan 0.000 0.492 310 P HA 0.077 nan 4.420 nan 0.000 0.231 310 P C -0.125 177.064 177.300 -0.185 0.000 1.168 310 P CA 0.832 63.707 63.100 -0.375 0.000 0.779 310 P CB 0.673 32.084 31.700 -0.482 0.000 0.844 311 D N -0.376 119.941 120.400 -0.138 0.000 3.010 311 D HA 0.205 4.771 4.640 -0.124 0.000 0.347 311 D C -1.061 175.247 176.300 0.014 0.000 1.340 311 D CA -0.260 53.670 54.000 -0.117 0.000 0.858 311 D CB -0.079 40.655 40.800 -0.109 0.000 1.111 311 D HN 0.065 nan 8.370 nan 0.000 0.482 312 F N 2.190 122.095 119.950 -0.075 0.000 2.771 312 F HA 0.304 4.756 4.527 -0.124 0.000 0.365 312 F C -1.759 174.146 175.800 0.176 0.000 1.169 312 F CA -0.802 57.212 58.000 0.022 0.000 1.093 312 F CB 0.848 39.851 39.000 0.005 0.000 1.363 312 F HN -0.124 nan 8.300 nan 0.000 0.496 313 Y N 3.449 123.555 120.300 -0.324 0.000 2.609 313 Y HA 0.596 5.073 4.550 -0.122 0.000 0.342 313 Y C 0.278 176.139 175.900 -0.064 0.000 1.058 313 Y CA -0.899 57.153 58.100 -0.079 0.000 1.055 313 Y CB 2.259 40.800 38.460 0.134 0.000 1.292 313 Y HN 0.669 nan 8.280 nan 0.000 0.476 314 A N 1.400 123.699 122.820 -0.869 0.000 2.822 314 A HA 0.002 4.248 4.320 -0.124 0.000 0.287 314 A C 0.016 177.385 177.584 -0.358 0.000 1.479 314 A CA 0.830 52.521 52.037 -0.576 0.000 0.779 314 A CB -2.141 16.681 19.000 -0.296 0.000 1.022 314 A HN 1.663 nan 8.150 nan 0.000 0.532 315 A N -0.523 122.088 122.820 -0.350 0.000 2.409 315 A HA 0.735 4.981 4.320 -0.124 0.000 0.267 315 A C 0.659 178.121 177.584 -0.203 0.000 1.127 315 A CA 0.795 52.690 52.037 -0.237 0.000 0.795 315 A CB 0.216 19.174 19.000 -0.071 0.000 1.061 315 A HN 2.339 nan 8.150 nan 0.000 0.502 316 A N 2.157 124.780 122.820 -0.327 0.000 2.454 316 A HA 0.828 5.074 4.320 -0.124 0.000 0.302 316 A C 0.240 177.287 177.584 -0.896 0.000 1.079 316 A CA -0.060 51.636 52.037 -0.568 0.000 0.731 316 A CB 1.381 20.176 19.000 -0.341 0.000 1.299 316 A HN 1.693 nan 8.150 nan 0.000 0.413 317 G N -0.511 107.632 108.800 -1.094 0.000 2.412 317 G HA2 0.515 4.401 3.960 -0.124 0.000 0.318 317 G HA3 0.515 4.401 3.960 -0.124 0.000 0.318 317 G C -0.995 173.846 174.900 -0.097 0.000 1.146 317 G CA -0.369 44.328 45.100 -0.671 0.000 0.882 317 G HN 0.528 nan 8.290 nan 0.000 0.501 318 Y N 0.811 121.210 120.300 0.164 0.000 2.465 318 Y HA 0.067 4.543 4.550 -0.123 0.000 0.331 318 Y C 1.295 177.435 175.900 0.400 0.000 1.102 318 Y CA 0.495 58.788 58.100 0.322 0.000 1.358 318 Y CB 0.604 39.277 38.460 0.355 0.000 1.213 318 Y HN 0.524 nan 8.280 nan 0.000 0.525 319 N N 0.786 119.805 118.700 0.532 0.000 2.445 319 N HA 0.380 5.046 4.740 -0.124 0.000 0.264 319 N C 0.670 176.496 175.510 0.527 0.000 1.227 319 N CA 0.637 53.995 53.050 0.514 0.000 0.963 319 N CB 0.674 39.420 38.487 0.432 0.000 1.188 319 N HN 0.846 nan 8.380 nan 0.000 0.491 320 G N -0.292 108.783 108.800 0.458 0.000 2.143 320 G HA2 -0.239 3.647 3.960 -0.124 0.000 0.249 320 G HA3 -0.239 3.647 3.960 -0.124 0.000 0.249 320 G C -0.333 174.764 174.900 0.329 0.000 0.981 320 G CA -0.084 45.268 45.100 0.420 0.000 0.665 320 G HN 0.305 nan 8.290 nan 0.000 0.528 321 L N 1.103 122.470 121.223 0.240 0.000 2.330 321 L HA 0.695 4.961 4.340 -0.124 0.000 0.271 321 L C 1.139 177.919 176.870 -0.151 0.000 1.013 321 L CA -0.523 54.313 54.840 -0.007 0.000 0.816 321 L CB 1.925 43.961 42.059 -0.037 0.000 1.287 321 L HN 0.340 nan 8.230 nan 0.000 0.435 322 S N 0.725 116.286 115.700 -0.232 0.000 2.645 322 S HA 0.191 4.587 4.470 -0.124 0.000 0.266 322 S C 0.870 175.187 174.600 -0.470 0.000 1.258 322 S CA -0.685 57.383 58.200 -0.219 0.000 0.990 322 S CB 1.157 64.299 63.200 -0.097 0.000 0.967 322 S HN 0.578 nan 8.310 nan 0.000 0.556 323 L N 1.034 122.135 121.223 -0.203 0.000 2.034 323 L HA -0.186 4.079 4.340 -0.124 0.000 0.217 323 L C 1.491 178.322 176.870 -0.065 0.000 1.077 323 L CA 2.025 56.823 54.840 -0.071 0.000 0.769 323 L CB -1.028 41.034 42.059 0.005 0.000 0.890 323 L HN 0.743 nan 8.230 nan 0.000 0.435 324 N N -0.779 117.882 118.700 -0.065 0.000 2.322 324 N HA 0.011 4.677 4.740 -0.124 0.000 0.194 324 N C 0.164 175.742 175.510 0.112 0.000 1.126 324 N CA 0.470 53.543 53.050 0.039 0.000 0.845 324 N CB 0.111 38.621 38.487 0.039 0.000 0.976 324 N HN 0.453 nan 8.380 nan 0.000 0.475 325 D N -0.692 119.655 120.400 -0.088 0.000 2.479 325 D HA 0.053 4.619 4.640 -0.124 0.000 0.218 325 D C 0.083 176.311 176.300 -0.120 0.000 1.177 325 D CA -0.142 53.826 54.000 -0.053 0.000 0.830 325 D CB 0.292 41.006 40.800 -0.143 0.000 1.014 325 D HN 0.160 nan 8.370 nan 0.000 0.503 326 H N 0.466 119.464 119.070 -0.119 0.000 2.815 326 H HA 0.256 4.737 4.556 -0.125 0.000 0.350 326 H C 0.131 175.390 175.328 -0.114 0.000 1.080 326 H CA 0.419 56.418 56.048 -0.082 0.000 1.433 326 H CB 1.348 31.055 29.762 -0.093 0.000 1.432 326 H HN -0.214 nan 8.280 nan 0.000 0.592 327 V N 3.860 123.934 119.914 0.267 0.000 2.733 327 V HA 0.127 4.173 4.120 -0.124 0.000 0.306 327 V C -0.581 175.793 176.094 0.466 0.000 1.084 327 V CA -0.752 61.721 62.300 0.288 0.000 0.905 327 V CB 2.016 33.971 31.823 0.221 0.000 1.010 327 V HN 0.735 nan 8.190 nan 0.000 0.424 328 H N 3.255 122.443 119.070 0.197 0.000 2.529 328 H HA 0.728 5.210 4.556 -0.124 0.000 0.348 328 H C -0.593 174.871 175.328 0.226 0.000 1.152 328 H CA -0.521 55.629 56.048 0.169 0.000 1.202 328 H CB 1.777 31.607 29.762 0.112 0.000 1.562 328 H HN 0.519 nan 8.280 nan 0.000 0.515 329 I N 1.611 122.308 120.570 0.212 0.000 2.474 329 I HA 0.474 4.570 4.170 -0.124 0.000 0.294 329 I C 0.561 176.685 176.117 0.012 0.000 1.005 329 I CA -0.732 60.668 61.300 0.167 0.000 1.113 329 I CB 2.123 40.190 38.000 0.113 0.000 1.289 329 I HN 0.613 nan 8.210 nan 0.000 0.436 330 G N 3.684 112.454 108.800 -0.050 0.000 2.453 330 G HA2 0.370 4.256 3.960 -0.124 0.000 0.323 330 G HA3 0.370 4.256 3.960 -0.124 0.000 0.323 330 G C -1.942 172.860 174.900 -0.162 0.000 1.198 330 G CA -0.432 44.398 45.100 -0.450 0.000 0.959 330 G HN 0.570 nan 8.290 nan 0.000 0.482 331 W N 3.081 124.169 121.300 -0.355 0.000 2.304 331 W HA 0.471 5.057 4.660 -0.122 0.000 0.313 331 W C 0.505 176.917 176.519 -0.179 0.000 1.323 331 W CA -1.268 55.941 57.345 -0.225 0.000 1.223 331 W CB 1.128 30.467 29.460 -0.202 0.000 1.237 331 W HN 0.284 nan 8.180 nan 0.000 0.535 332 M N 7.828 127.246 119.600 -0.304 0.000 3.561 332 M HA 0.166 4.571 4.480 -0.124 0.000 0.230 332 M C -0.892 175.046 176.300 -0.602 0.000 1.387 332 M CA 0.420 55.526 55.300 -0.322 0.000 1.570 332 M CB -0.841 31.680 32.600 -0.132 0.000 1.057 332 M HN 0.521 nan 8.290 nan 0.000 0.607 333 N N 0.651 118.786 118.700 -0.943 0.000 3.261 333 N HA 0.426 5.091 4.740 -0.124 0.000 0.248 333 N C -2.237 172.639 175.510 -1.056 0.000 1.498 333 N CA -0.616 51.767 53.050 -1.111 0.000 0.884 333 N CB 1.457 38.856 38.487 -1.813 0.000 1.428 333 N HN 0.451 nan 8.380 nan 0.000 0.517 334 N N 0.175 118.314 118.700 -0.934 0.000 2.336 334 N HA 0.246 4.912 4.740 -0.124 0.000 0.290 334 N C -0.114 175.032 175.510 -0.608 0.000 1.058 334 N CA -0.354 52.237 53.050 -0.765 0.000 0.865 334 N CB 0.768 38.710 38.487 -0.908 0.000 1.581 334 N HN 0.686 nan 8.380 nan 0.000 0.480 335 W N 1.400 122.566 121.300 -0.223 0.000 2.465 335 W HA -0.105 4.480 4.660 -0.125 0.000 0.268 335 W C 2.180 178.624 176.519 -0.125 0.000 1.242 335 W CA 0.295 57.614 57.345 -0.043 0.000 1.248 335 W CB 0.264 29.703 29.460 -0.033 0.000 1.118 335 W HN 0.656 nan 8.180 nan 0.000 0.587 336 Q N 0.934 120.706 119.800 -0.045 0.000 2.096 336 Q HA -0.277 3.989 4.340 -0.124 0.000 0.208 336 Q C 1.444 177.505 176.000 0.102 0.000 0.993 336 Q CA 2.627 58.423 55.803 -0.012 0.000 0.862 336 Q CB -0.679 28.047 28.738 -0.020 0.000 0.915 336 Q HN 0.596 nan 8.270 nan 0.000 0.416 337 Y N -4.767 115.659 120.300 0.210 0.000 2.610 337 Y HA 0.602 5.078 4.550 -0.123 0.000 0.254 337 Y C 1.511 177.511 175.900 0.167 0.000 1.110 337 Y CA -0.274 57.967 58.100 0.235 0.000 1.238 337 Y CB -0.552 38.133 38.460 0.375 0.000 1.322 337 Y HN -0.004 nan 8.280 nan 0.000 0.547 338 G N 1.395 110.278 108.800 0.138 0.000 2.450 338 G HA2 -0.223 3.663 3.960 -0.124 0.000 0.220 338 G HA3 -0.223 3.663 3.960 -0.124 0.000 0.220 338 G C 1.673 176.792 174.900 0.365 0.000 1.130 338 G CA 1.230 46.439 45.100 0.183 0.000 0.760 338 G HN 0.586 nan 8.290 nan 0.000 0.557 339 A N 0.470 123.493 122.820 0.338 0.000 2.121 339 A HA 0.044 4.290 4.320 -0.124 0.000 0.218 339 A C 1.778 179.419 177.584 0.096 0.000 1.154 339 A CA 1.389 53.558 52.037 0.220 0.000 0.679 339 A CB -0.243 18.807 19.000 0.085 0.000 0.795 339 A HN 0.502 nan 8.150 nan 0.000 0.458 340 N N -0.424 118.288 118.700 0.020 0.000 2.200 340 N HA 0.262 4.928 4.740 -0.124 0.000 0.224 340 N C 0.031 175.153 175.510 -0.647 0.000 1.179 340 N CA -0.252 52.705 53.050 -0.156 0.000 0.877 340 N CB 0.436 38.939 38.487 0.027 0.000 1.072 340 N HN 0.667 nan 8.380 nan 0.000 0.519 341 I N -0.960 119.181 120.570 -0.714 0.000 2.692 341 I HA 0.245 4.341 4.170 -0.124 0.000 0.284 341 I C -2.050 173.483 176.117 -0.974 0.000 1.159 341 I CA -1.632 58.897 61.300 -1.285 0.000 1.423 341 I CB 0.485 38.019 38.000 -0.776 0.000 1.380 341 I HN -0.127 nan 8.210 nan 0.000 0.580 342 P HA 0.093 nan 4.420 nan 0.000 0.220 342 P C -0.277 176.857 177.300 -0.277 0.000 1.778 342 P CA -0.090 62.656 63.100 -0.589 0.000 0.912 342 P CB -0.682 30.716 31.700 -0.502 0.000 1.861 343 T N -1.815 112.513 114.554 -0.376 0.000 2.925 343 T HA 0.601 4.877 4.350 -0.124 0.000 0.285 343 T C -1.205 173.253 174.700 -0.402 0.000 1.021 343 T CA -0.832 60.966 62.100 -0.504 0.000 1.042 343 T CB 1.824 70.041 68.868 -1.084 0.000 1.037 343 T HN 0.131 nan 8.240 nan 0.000 0.481 344 Y N 2.423 122.398 120.300 -0.542 0.000 2.474 344 Y HA 0.455 4.932 4.550 -0.123 0.000 0.326 344 Y C -2.543 173.424 175.900 0.112 0.000 1.160 344 Y CA -1.897 56.084 58.100 -0.198 0.000 1.056 344 Y CB 2.368 40.779 38.460 -0.082 0.000 1.330 344 Y HN 0.520 nan 8.280 nan 0.000 0.447 345 P HA 0.088 nan 4.420 nan 0.000 0.262 345 P C -0.572 176.580 177.300 -0.247 0.000 1.304 345 P CA 0.392 62.917 63.100 -0.959 0.000 0.859 345 P CB -0.115 31.088 31.700 -0.829 0.000 1.310 346 W N 1.113 122.294 121.300 -0.199 0.000 2.390 346 W HA 0.677 5.263 4.660 -0.124 0.000 0.362 346 W C -0.633 175.876 176.519 -0.016 0.000 1.206 346 W CA -1.183 56.101 57.345 -0.102 0.000 1.355 346 W CB 0.866 30.240 29.460 -0.144 0.000 1.278 346 W HN -0.335 nan 8.180 nan 0.000 0.653 347 R N 2.719 123.066 120.500 -0.255 0.000 2.512 347 R HA 0.477 4.743 4.340 -0.124 0.000 0.291 347 R C -1.422 174.757 176.300 -0.203 0.000 1.097 347 R CA -0.314 55.585 56.100 -0.334 0.000 0.940 347 R CB 1.359 31.671 30.300 0.020 0.000 1.198 347 R HN 0.861 nan 8.270 nan 0.000 0.429 348 S N 0.559 116.195 115.700 -0.106 0.000 2.996 348 S HA 0.136 4.532 4.470 -0.124 0.000 0.849 348 S C -1.377 173.313 174.600 0.149 0.000 0.950 348 S CA -0.251 57.930 58.200 -0.032 0.000 1.370 348 S CB -0.638 62.499 63.200 -0.106 0.000 0.976 348 S HN 0.942 nan 8.310 nan 0.000 0.237 349 A N 2.936 125.786 122.820 0.050 0.000 2.527 349 A HA 0.893 5.139 4.320 -0.124 0.000 0.293 349 A C -0.567 177.041 177.584 0.040 0.000 1.117 349 A CA -0.848 51.203 52.037 0.022 0.000 0.723 349 A CB 0.836 19.843 19.000 0.013 0.000 1.313 349 A HN 0.623 nan 8.150 nan 0.000 0.411 350 M N 1.132 120.782 119.600 0.083 0.000 2.247 350 M HA 0.500 4.906 4.480 -0.124 0.000 0.326 350 M C 0.847 177.263 176.300 0.194 0.000 1.134 350 M CA -0.336 55.032 55.300 0.113 0.000 1.136 350 M CB 0.636 33.275 32.600 0.065 0.000 1.454 350 M HN 0.903 nan 8.290 nan 0.000 0.467 351 A N 2.385 125.339 122.820 0.224 0.000 2.267 351 A HA 0.548 4.794 4.320 -0.124 0.000 0.271 351 A C 0.207 178.006 177.584 0.360 0.000 1.131 351 A CA -0.592 51.668 52.037 0.370 0.000 0.818 351 A CB 0.013 19.285 19.000 0.452 0.000 1.118 351 A HN 0.797 nan 8.150 nan 0.000 0.501 352 I N 1.399 122.153 120.570 0.307 0.000 2.683 352 I HA 0.070 4.166 4.170 -0.124 0.000 0.286 352 I C -1.950 174.293 176.117 0.211 0.000 1.175 352 I CA -1.127 60.252 61.300 0.131 0.000 1.429 352 I CB 0.416 38.504 38.000 0.147 0.000 1.371 352 I HN 0.362 nan 8.210 nan 0.000 0.569 353 P HA 0.020 nan 4.420 nan 0.000 0.265 353 P C -0.944 176.469 177.300 0.189 0.000 1.187 353 P CA 0.038 63.247 63.100 0.181 0.000 0.766 353 P CB 0.430 32.193 31.700 0.105 0.000 0.820 354 R N 2.342 122.990 120.500 0.247 0.000 2.320 354 R HA 0.252 4.518 4.340 -0.124 0.000 0.319 354 R C 0.090 176.509 176.300 0.198 0.000 0.969 354 R CA -0.567 55.679 56.100 0.244 0.000 0.857 354 R CB 0.248 30.701 30.300 0.255 0.000 1.160 354 R HN 0.660 nan 8.270 nan 0.000 0.491 355 H N 4.654 123.778 119.070 0.091 0.000 2.848 355 H HA 0.133 4.616 4.556 -0.122 0.000 0.341 355 H C -0.699 174.662 175.328 0.054 0.000 1.060 355 H CA 0.459 56.545 56.048 0.064 0.000 1.444 355 H CB 0.787 30.560 29.762 0.018 0.000 1.446 355 H HN 0.264 nan 8.280 nan 0.000 0.583 356 M N 4.076 123.387 119.600 -0.483 0.000 2.243 356 M HA 0.507 4.913 4.480 -0.124 0.000 0.324 356 M C -0.383 175.764 176.300 -0.255 0.000 1.031 356 M CA -0.587 54.547 55.300 -0.275 0.000 0.949 356 M CB 1.282 33.732 32.600 -0.249 0.000 1.615 356 M HN 0.672 nan 8.290 nan 0.000 0.430 357 A N 3.655 126.423 122.820 -0.086 0.000 2.588 357 A HA 0.957 5.203 4.320 -0.124 0.000 0.290 357 A C -1.769 175.797 177.584 -0.030 0.000 1.136 357 A CA -0.728 51.299 52.037 -0.015 0.000 0.681 357 A CB 1.755 20.824 19.000 0.114 0.000 1.282 357 A HN 0.773 nan 8.150 nan 0.000 0.421 358 L N 0.549 121.770 121.223 -0.003 0.000 2.365 358 L HA 0.594 4.860 4.340 -0.124 0.000 0.273 358 L C -0.309 176.583 176.870 0.037 0.000 1.000 358 L CA -0.435 54.411 54.840 0.010 0.000 0.819 358 L CB 2.127 44.196 42.059 0.017 0.000 1.284 358 L HN 0.693 nan 8.230 nan 0.000 0.418 359 K N 1.032 121.462 120.400 0.049 0.000 2.371 359 K HA 0.457 4.703 4.320 -0.124 0.000 0.251 359 K C -0.933 175.706 176.600 0.065 0.000 0.934 359 K CA -0.793 55.527 56.287 0.054 0.000 0.798 359 K CB 2.436 34.967 32.500 0.052 0.000 1.204 359 K HN 0.405 nan 8.250 nan 0.000 0.427 360 T N 3.499 118.089 114.554 0.059 0.000 2.743 360 T HA 0.275 4.551 4.350 -0.124 0.000 0.290 360 T C 0.064 174.801 174.700 0.062 0.000 0.908 360 T CA 0.058 62.196 62.100 0.063 0.000 1.092 360 T CB -0.407 68.493 68.868 0.055 0.000 0.882 360 T HN 0.284 nan 8.240 nan 0.000 0.531 361 I N 1.962 122.576 120.570 0.074 0.000 2.418 361 I HA 0.444 4.540 4.170 -0.124 0.000 0.287 361 I C 1.060 177.221 176.117 0.072 0.000 1.008 361 I CA -0.932 60.410 61.300 0.070 0.000 1.104 361 I CB 1.699 39.745 38.000 0.077 0.000 1.264 361 I HN 0.762 nan 8.210 nan 0.000 0.438 362 G N 4.310 113.146 108.800 0.060 0.000 2.366 362 G HA2 -0.304 3.581 3.960 -0.124 0.000 0.299 362 G HA3 -0.304 3.581 3.960 -0.124 0.000 0.299 362 G C 0.538 175.476 174.900 0.063 0.000 1.020 362 G CA 0.617 45.752 45.100 0.058 0.000 1.026 362 G HN 0.882 nan 8.290 nan 0.000 0.512 363 S N -2.343 113.393 115.700 0.060 0.000 3.490 363 S HA -0.215 4.181 4.470 -0.124 0.000 0.301 363 S C 0.384 175.028 174.600 0.073 0.000 1.233 363 S CA 2.015 60.252 58.200 0.061 0.000 0.914 363 S CB -0.964 62.269 63.200 0.056 0.000 1.047 363 S HN 1.283 nan 8.310 nan 0.000 0.602 364 K N 0.778 121.229 120.400 0.085 0.000 2.471 364 K HA 0.666 4.912 4.320 -0.124 0.000 0.252 364 K C -0.156 176.511 176.600 0.112 0.000 0.938 364 K CA -0.272 56.078 56.287 0.105 0.000 0.796 364 K CB 1.598 34.172 32.500 0.123 0.000 1.161 364 K HN 0.275 nan 8.250 nan 0.000 0.425 365 A N 2.912 125.801 122.820 0.115 0.000 2.515 365 A HA 0.214 4.460 4.320 -0.124 0.000 0.263 365 A C -0.467 177.217 177.584 0.166 0.000 1.096 365 A CA 0.592 52.702 52.037 0.121 0.000 0.769 365 A CB -0.041 19.029 19.000 0.117 0.000 1.040 365 A HN 0.623 nan 8.150 nan 0.000 0.505 366 T N 3.173 117.818 114.554 0.151 0.000 2.886 366 T HA 0.412 4.688 4.350 -0.124 0.000 0.292 366 T C -0.386 174.377 174.700 0.105 0.000 1.012 366 T CA -0.454 61.764 62.100 0.197 0.000 0.982 366 T CB 1.160 70.129 68.868 0.169 0.000 1.018 366 T HN 0.634 nan 8.240 nan 0.000 0.451 367 L N 5.454 126.694 121.223 0.029 0.000 2.462 367 L HA 0.471 4.736 4.340 -0.124 0.000 0.272 367 L C -0.277 176.560 176.870 -0.056 0.000 1.166 367 L CA 0.140 54.847 54.840 -0.222 0.000 0.880 367 L CB 0.063 41.662 42.059 -0.767 0.000 1.142 367 L HN 0.498 nan 8.230 nan 0.000 0.473 368 V N 2.892 122.789 119.914 -0.028 0.000 2.495 368 V HA 0.642 4.687 4.120 -0.124 0.000 0.298 368 V C -0.412 175.715 176.094 0.056 0.000 1.031 368 V CA -0.750 61.575 62.300 0.042 0.000 0.871 368 V CB 1.435 33.300 31.823 0.069 0.000 0.988 368 V HN 0.851 nan 8.190 nan 0.000 0.432 369 Q N 2.994 122.864 119.800 0.117 0.000 2.306 369 Q HA 0.638 4.904 4.340 -0.124 0.000 0.265 369 Q C -1.087 175.075 176.000 0.269 0.000 1.022 369 Q CA -0.599 55.321 55.803 0.194 0.000 0.853 369 Q CB 2.697 31.552 28.738 0.195 0.000 1.327 369 Q HN 0.837 nan 8.270 nan 0.000 0.449 370 Q N 1.706 121.627 119.800 0.202 0.000 2.365 370 Q HA 0.421 4.687 4.340 -0.124 0.000 0.269 370 Q C -2.448 173.489 176.000 -0.105 0.000 1.061 370 Q CA -2.396 53.399 55.803 -0.014 0.000 0.816 370 Q CB 1.906 30.617 28.738 -0.044 0.000 1.325 370 Q HN 0.315 nan 8.270 nan 0.000 0.446 371 P HA -0.029 nan 4.420 nan 0.000 0.269 371 P C -0.978 176.371 177.300 0.082 0.000 1.263 371 P CA -0.127 62.743 63.100 -0.384 0.000 0.813 371 P CB 0.522 31.650 31.700 -0.952 0.000 0.868 372 Q N 3.166 122.983 119.800 0.029 0.000 2.571 372 Q HA 0.232 4.498 4.340 -0.124 0.000 0.222 372 Q C -0.503 175.285 176.000 -0.353 0.000 1.167 372 Q CA 0.147 55.898 55.803 -0.086 0.000 0.966 372 Q CB 0.146 28.867 28.738 -0.029 0.000 1.274 372 Q HN 0.393 nan 8.270 nan 0.000 0.552 373 E N 0.556 120.285 120.200 -0.784 0.000 2.445 373 E HA 0.683 4.959 4.350 -0.124 0.000 0.273 373 E C -1.153 174.753 176.600 -1.157 0.000 0.961 373 E CA -1.243 54.440 56.400 -1.195 0.000 0.807 373 E CB 1.420 30.062 29.700 -1.763 0.000 1.362 373 E HN 0.397 nan 8.360 nan 0.000 0.453 374 A N 0.959 123.277 122.820 -0.835 0.000 3.056 374 A HA 0.130 4.376 4.320 -0.124 0.000 0.274 374 A C 0.031 177.382 177.584 -0.390 0.000 1.661 374 A CA -0.275 51.474 52.037 -0.481 0.000 1.363 374 A CB -1.087 17.730 19.000 -0.306 0.000 1.139 374 A HN 0.712 nan 8.150 nan 0.000 0.598 375 W N 0.920 122.128 121.300 -0.154 0.000 2.342 375 W HA -0.262 4.324 4.660 -0.123 0.000 0.297 375 W C 2.562 179.005 176.519 -0.127 0.000 1.213 375 W CA 1.419 58.675 57.345 -0.149 0.000 1.251 375 W CB -0.087 29.299 29.460 -0.123 0.000 1.136 375 W HN 0.741 nan 8.180 nan 0.000 0.526 376 S N -0.139 115.606 115.700 0.075 0.000 2.447 376 S HA -0.194 4.202 4.470 -0.124 0.000 0.233 376 S C 1.818 176.419 174.600 0.001 0.000 1.006 376 S CA 1.338 59.550 58.200 0.019 0.000 0.957 376 S CB -0.929 62.266 63.200 -0.009 0.000 0.773 376 S HN 0.247 nan 8.310 nan 0.000 0.507 377 S N 1.989 117.680 115.700 -0.014 0.000 2.489 377 S HA 0.141 4.537 4.470 -0.124 0.000 0.228 377 S C 1.579 176.195 174.600 0.027 0.000 0.995 377 S CA 0.421 58.621 58.200 -0.000 0.000 0.934 377 S CB -0.812 62.400 63.200 0.020 0.000 0.771 377 S HN 0.912 nan 8.310 nan 0.000 0.522 378 I N -2.422 118.159 120.570 0.018 0.000 4.338 378 I HA 0.458 4.554 4.170 -0.124 0.000 0.329 378 I C -0.477 175.665 176.117 0.042 0.000 1.378 378 I CA -0.620 60.693 61.300 0.022 0.000 1.170 378 I CB 0.742 38.715 38.000 -0.046 0.000 1.206 378 I HN -0.012 nan 8.210 nan 0.000 0.432 379 S N 2.012 117.743 115.700 0.052 0.000 2.454 379 S HA 0.434 4.830 4.470 -0.124 0.000 0.306 379 S C -0.222 174.408 174.600 0.049 0.000 1.100 379 S CA -0.508 57.721 58.200 0.049 0.000 1.087 379 S CB 1.192 64.398 63.200 0.011 0.000 1.019 379 S HN 0.205 nan 8.310 nan 0.000 0.480 380 N N 2.705 121.457 118.700 0.086 0.000 2.356 380 N HA 0.032 4.698 4.740 -0.124 0.000 0.252 380 N C 1.034 176.621 175.510 0.128 0.000 1.241 380 N CA 0.121 53.233 53.050 0.103 0.000 0.861 380 N CB 0.443 39.006 38.487 0.127 0.000 1.075 380 N HN 0.477 nan 8.380 nan 0.000 0.461 381 K N 1.290 121.746 120.400 0.094 0.000 2.243 381 K HA -0.025 4.221 4.320 -0.124 0.000 0.201 381 K C 0.606 177.318 176.600 0.187 0.000 1.051 381 K CA 0.469 56.811 56.287 0.091 0.000 0.970 381 K CB 0.280 32.804 32.500 0.041 0.000 0.755 381 K HN 0.449 nan 8.250 nan 0.000 0.465 382 R N 2.642 123.234 120.500 0.154 0.000 2.229 382 R HA 0.159 4.425 4.340 -0.124 0.000 0.328 382 R C -2.477 173.867 176.300 0.073 0.000 1.009 382 R CA -1.707 54.459 56.100 0.109 0.000 0.864 382 R CB 0.953 31.280 30.300 0.046 0.000 1.085 382 R HN -0.129 nan 8.270 nan 0.000 0.453 383 P HA 0.030 nan 4.420 nan 0.000 0.271 383 P C 0.821 178.012 177.300 -0.182 0.000 1.216 383 P CA -0.022 62.834 63.100 -0.408 0.000 0.776 383 P CB 0.609 31.872 31.700 -0.727 0.000 0.881 384 I N -0.190 120.299 120.570 -0.136 0.000 2.676 384 I HA 0.068 4.164 4.170 -0.124 0.000 0.259 384 I C 0.416 176.534 176.117 0.002 0.000 1.194 384 I CA 0.780 62.050 61.300 -0.051 0.000 1.473 384 I CB -0.442 37.537 38.000 -0.036 0.000 1.096 384 I HN 0.175 nan 8.210 nan 0.000 0.443 385 Y N 0.704 120.894 120.300 -0.183 0.000 2.441 385 Y HA 0.618 5.094 4.550 -0.124 0.000 0.334 385 Y C -1.054 174.750 175.900 -0.160 0.000 1.061 385 Y CA -0.843 57.178 58.100 -0.133 0.000 1.032 385 Y CB 1.849 40.252 38.460 -0.095 0.000 1.266 385 Y HN -0.030 nan 8.280 nan 0.000 0.441 386 S N 6.762 122.109 115.700 -0.588 0.000 2.652 386 S HA 0.730 5.126 4.470 -0.124 0.000 0.273 386 S C -1.959 172.316 174.600 -0.541 0.000 1.172 386 S CA -0.716 57.238 58.200 -0.410 0.000 1.009 386 S CB 0.631 63.673 63.200 -0.263 0.000 1.094 386 S HN 0.711 nan 8.310 nan 0.000 0.471 387 R N 1.617 121.881 120.500 -0.394 0.000 2.739 387 R HA 0.659 4.925 4.340 -0.124 0.000 0.271 387 R C -0.983 175.144 176.300 -0.288 0.000 1.010 387 R CA -0.638 55.213 56.100 -0.415 0.000 0.897 387 R CB 1.473 31.487 30.300 -0.477 0.000 1.236 387 R HN 0.811 nan 8.270 nan 0.000 0.466 388 T N -1.518 112.759 114.554 -0.462 0.000 2.893 388 T HA 0.795 5.071 4.350 -0.124 0.000 0.291 388 T C -0.712 173.648 174.700 -0.567 0.000 1.028 388 T CA -0.603 61.306 62.100 -0.319 0.000 0.995 388 T CB 1.111 69.885 68.868 -0.156 0.000 1.051 388 T HN 0.295 nan 8.240 nan 0.000 0.470 389 F N 1.358 121.299 119.950 -0.014 0.000 2.579 389 F HA 0.521 4.974 4.527 -0.124 0.000 0.325 389 F C 1.306 177.088 175.800 -0.031 0.000 1.162 389 F CA -1.234 56.754 58.000 -0.020 0.000 0.946 389 F CB 2.308 41.299 39.000 -0.015 0.000 1.211 389 F HN 0.708 nan 8.300 nan 0.000 0.447 390 K N 1.014 121.476 120.400 0.104 0.000 2.032 390 K HA -0.029 4.216 4.320 -0.124 0.000 0.209 390 K C -0.079 176.556 176.600 0.058 0.000 1.048 390 K CA 1.449 57.770 56.287 0.055 0.000 0.927 390 K CB 0.139 32.654 32.500 0.025 0.000 0.712 390 K HN 0.646 nan 8.250 nan 0.000 0.441 391 T N 1.259 115.861 114.554 0.080 0.000 2.890 391 T HA 0.297 4.572 4.350 -0.124 0.000 0.295 391 T C -1.377 173.344 174.700 0.035 0.000 0.993 391 T CA -0.741 61.379 62.100 0.033 0.000 0.979 391 T CB 1.641 70.512 68.868 0.005 0.000 0.967 391 T HN 0.081 nan 8.240 nan 0.000 0.441 392 L N 4.557 125.746 121.223 -0.058 0.000 2.290 392 L HA 0.553 4.819 4.340 -0.124 0.000 0.284 392 L C 0.683 177.469 176.870 -0.140 0.000 1.078 392 L CA -0.065 54.649 54.840 -0.210 0.000 0.815 392 L CB 0.736 42.559 42.059 -0.393 0.000 1.162 392 L HN 0.755 nan 8.230 nan 0.000 0.435 393 S N 3.067 118.695 115.700 -0.120 0.000 2.572 393 S HA 0.127 4.523 4.470 -0.124 0.000 0.279 393 S C 0.164 174.721 174.600 -0.071 0.000 1.341 393 S CA -0.596 57.560 58.200 -0.073 0.000 1.043 393 S CB 0.350 63.520 63.200 -0.050 0.000 0.887 393 S HN 0.778 nan 8.310 nan 0.000 0.516 394 E N 1.101 121.273 120.200 -0.046 0.000 2.529 394 E HA 0.386 4.662 4.350 -0.124 0.000 0.259 394 E C 0.708 177.283 176.600 -0.042 0.000 0.966 394 E CA 0.829 57.209 56.400 -0.032 0.000 0.937 394 E CB -0.471 29.214 29.700 -0.025 0.000 0.923 394 E HN 1.049 nan 8.360 nan 0.000 0.468 395 G N 2.560 111.334 108.800 -0.043 0.000 2.298 395 G HA2 -0.061 3.825 3.960 -0.124 0.000 0.309 395 G HA3 -0.061 3.825 3.960 -0.124 0.000 0.309 395 G C -1.150 173.698 174.900 -0.086 0.000 1.279 395 G CA -0.327 44.736 45.100 -0.062 0.000 1.042 395 G HN 0.548 nan 8.290 nan 0.000 0.480 396 S N 0.139 115.770 115.700 -0.116 0.000 2.500 396 S HA 0.781 5.177 4.470 -0.124 0.000 0.301 396 S C 0.572 175.082 174.600 -0.150 0.000 1.092 396 S CA 0.121 58.222 58.200 -0.165 0.000 1.030 396 S CB 1.615 64.665 63.200 -0.249 0.000 1.031 396 S HN 1.441 nan 8.310 nan 0.000 0.483 397 T N 0.907 115.378 114.554 -0.138 0.000 2.732 397 T HA 0.299 4.575 4.350 -0.124 0.000 0.287 397 T C 0.419 175.078 174.700 -0.068 0.000 0.993 397 T CA -0.674 61.383 62.100 -0.071 0.000 0.966 397 T CB 0.099 68.961 68.868 -0.009 0.000 1.047 397 T HN 0.445 nan 8.240 nan 0.000 0.527 398 N N 0.371 119.077 118.700 0.010 0.000 2.416 398 N HA 0.105 4.770 4.740 -0.124 0.000 0.246 398 N C -0.295 175.234 175.510 0.032 0.000 1.260 398 N CA 0.195 53.261 53.050 0.027 0.000 0.897 398 N CB 0.192 38.724 38.487 0.076 0.000 1.110 398 N HN 0.672 nan 8.380 nan 0.000 0.439 399 T N 1.332 115.921 114.554 0.059 0.000 2.907 399 T HA 0.296 4.572 4.350 -0.124 0.000 0.298 399 T C 0.318 175.082 174.700 0.106 0.000 1.017 399 T CA -0.233 61.944 62.100 0.128 0.000 1.118 399 T CB 0.385 69.380 68.868 0.212 0.000 0.948 399 T HN 0.623 nan 8.240 nan 0.000 0.531 400 T N -0.202 114.390 114.554 0.064 0.000 2.924 400 T HA 0.603 4.879 4.350 -0.124 0.000 0.291 400 T C -0.334 174.368 174.700 0.004 0.000 1.045 400 T CA -0.823 61.290 62.100 0.021 0.000 1.015 400 T CB 1.612 70.436 68.868 -0.074 0.000 1.103 400 T HN 0.351 nan 8.240 nan 0.000 0.496 401 T N 1.843 116.379 114.554 -0.030 0.000 2.767 401 T HA 0.497 4.773 4.350 -0.124 0.000 0.284 401 T C 1.306 175.885 174.700 -0.201 0.000 0.973 401 T CA -0.296 61.736 62.100 -0.114 0.000 0.996 401 T CB 1.252 70.079 68.868 -0.068 0.000 0.927 401 T HN 0.937 nan 8.240 nan 0.000 0.456 402 T N -0.251 114.109 114.554 -0.324 0.000 2.971 402 T HA 0.507 4.783 4.350 -0.124 0.000 0.252 402 T C 1.171 175.704 174.700 -0.279 0.000 1.022 402 T CA 0.298 62.099 62.100 -0.499 0.000 0.980 402 T CB -0.111 68.016 68.868 -1.234 0.000 1.044 402 T HN 1.070 nan 8.240 nan 0.000 0.501 403 G N 1.756 110.472 108.800 -0.141 0.000 2.750 403 G HA2 -0.222 3.663 3.960 -0.124 0.000 0.228 403 G HA3 -0.222 3.663 3.960 -0.124 0.000 0.228 403 G C 0.183 175.194 174.900 0.186 0.000 1.367 403 G CA 0.112 45.225 45.100 0.021 0.000 0.871 403 G HN 0.377 nan 8.290 nan 0.000 0.560 404 E N -0.460 119.893 120.200 0.254 0.000 2.400 404 E HA 0.169 4.445 4.350 -0.124 0.000 0.195 404 E C 1.092 177.906 176.600 0.356 0.000 1.012 404 E CA 1.024 57.609 56.400 0.309 0.000 0.875 404 E CB 0.312 30.132 29.700 0.199 0.000 0.859 404 E HN 0.774 nan 8.360 nan 0.000 0.498 405 T N -0.350 114.464 114.554 0.433 0.000 2.864 405 T HA 0.568 4.844 4.350 -0.124 0.000 0.299 405 T C -0.527 174.458 174.700 0.474 0.000 1.011 405 T CA -0.931 61.419 62.100 0.417 0.000 0.975 405 T CB 0.117 69.241 68.868 0.427 0.000 0.962 405 T HN 0.118 nan 8.240 nan 0.000 0.448 406 F N -0.813 119.271 119.950 0.224 0.000 2.770 406 F HA 0.740 5.193 4.527 -0.123 0.000 0.313 406 F C -1.378 174.429 175.800 0.012 0.000 1.154 406 F CA -1.425 56.627 58.000 0.087 0.000 0.923 406 F CB 1.593 40.625 39.000 0.052 0.000 1.301 406 F HN 0.619 nan 8.300 nan 0.000 0.449 407 K N 1.879 122.303 120.400 0.039 0.000 2.270 407 K HA 0.787 5.033 4.320 -0.124 0.000 0.255 407 K C -1.956 174.653 176.600 0.014 0.000 0.936 407 K CA -0.776 55.332 56.287 -0.299 0.000 0.809 407 K CB 2.210 34.301 32.500 -0.681 0.000 1.131 407 K HN 0.695 nan 8.250 nan 0.000 0.427 408 V N 3.205 123.089 119.914 -0.050 0.000 2.459 408 V HA 0.296 4.342 4.120 -0.124 0.000 0.295 408 V C -0.763 175.326 176.094 -0.009 0.000 1.029 408 V CA -0.900 61.434 62.300 0.058 0.000 0.874 408 V CB 1.660 33.551 31.823 0.113 0.000 0.985 408 V HN 0.796 nan 8.190 nan 0.000 0.438 409 D N 4.862 125.304 120.400 0.070 0.000 2.344 409 D HA 0.640 5.206 4.640 -0.124 0.000 0.239 409 D C -0.668 175.719 176.300 0.145 0.000 1.064 409 D CA -0.065 53.981 54.000 0.077 0.000 0.829 409 D CB 2.315 43.171 40.800 0.095 0.000 1.129 409 D HN 0.327 nan 8.370 nan 0.000 0.506 410 L N 1.325 122.652 121.223 0.174 0.000 2.370 410 L HA 0.571 4.836 4.340 -0.124 0.000 0.266 410 L C 0.027 177.039 176.870 0.236 0.000 1.002 410 L CA -0.712 54.314 54.840 0.309 0.000 0.818 410 L CB 2.059 44.413 42.059 0.490 0.000 1.325 410 L HN 0.370 nan 8.230 nan 0.000 0.418 411 S N 1.325 117.181 115.700 0.260 0.000 2.556 411 S HA 0.916 5.312 4.470 -0.124 0.000 0.271 411 S C -1.002 173.680 174.600 0.138 0.000 1.135 411 S CA -0.699 57.495 58.200 -0.010 0.000 0.858 411 S CB 2.254 65.411 63.200 -0.070 0.000 1.114 411 S HN 0.576 nan 8.310 nan 0.000 0.468 412 F N -1.956 117.969 119.950 -0.042 0.000 2.799 412 F HA 0.711 5.164 4.527 -0.123 0.000 0.316 412 F C -0.522 175.261 175.800 -0.028 0.000 1.155 412 F CA -1.048 56.903 58.000 -0.082 0.000 0.916 412 F CB 0.931 39.809 39.000 -0.203 0.000 1.294 412 F HN 0.653 nan 8.300 nan 0.000 0.447 413 S N 0.753 116.559 115.700 0.176 0.000 2.505 413 S HA 0.532 4.928 4.470 -0.124 0.000 0.276 413 S C 1.072 175.824 174.600 0.253 0.000 1.274 413 S CA 0.060 58.322 58.200 0.104 0.000 1.053 413 S CB 1.056 64.278 63.200 0.036 0.000 0.919 413 S HN 1.269 nan 8.310 nan 0.000 0.490 414 A N 5.204 128.137 122.820 0.188 0.000 2.070 414 A HA -0.020 4.226 4.320 -0.124 0.000 0.220 414 A C 1.862 179.590 177.584 0.241 0.000 1.159 414 A CA 1.197 53.443 52.037 0.347 0.000 0.656 414 A CB -0.290 18.828 19.000 0.197 0.000 0.800 414 A HN 0.896 nan 8.150 nan 0.000 0.453 415 K N 0.702 121.140 120.400 0.063 0.000 2.444 415 K HA 0.136 4.382 4.320 -0.124 0.000 0.193 415 K C 0.055 176.564 176.600 -0.152 0.000 1.024 415 K CA -0.094 56.182 56.287 -0.019 0.000 1.077 415 K CB 0.159 32.654 32.500 -0.008 0.000 0.833 415 K HN 0.364 nan 8.250 nan 0.000 0.517 416 S N 1.680 117.177 115.700 -0.338 0.000 2.566 416 S HA -0.049 4.347 4.470 -0.124 0.000 0.280 416 S C 1.147 175.451 174.600 -0.494 0.000 1.343 416 S CA 0.021 57.923 58.200 -0.497 0.000 1.036 416 S CB 0.849 63.565 63.200 -0.807 0.000 0.866 416 S HN 0.373 nan 8.310 nan 0.000 0.526 417 K N 0.820 121.044 120.400 -0.295 0.000 2.361 417 K HA 0.300 4.546 4.320 -0.124 0.000 0.196 417 K C 0.731 177.253 176.600 -0.131 0.000 1.039 417 K CA 0.410 56.595 56.287 -0.171 0.000 1.001 417 K CB -0.050 32.391 32.500 -0.100 0.000 0.795 417 K HN 0.527 nan 8.250 nan 0.000 0.495 418 A N 1.879 124.601 122.820 -0.163 0.000 2.555 418 A HA 0.041 4.286 4.320 -0.124 0.000 0.233 418 A C 1.401 179.071 177.584 0.143 0.000 1.060 418 A CA 0.307 52.348 52.037 0.006 0.000 0.759 418 A CB 0.289 19.352 19.000 0.105 0.000 0.995 418 A HN 0.502 nan 8.150 nan 0.000 0.506 419 S N 0.741 116.543 115.700 0.170 0.000 2.371 419 S HA 0.063 4.459 4.470 -0.124 0.000 0.224 419 S C 0.834 175.630 174.600 0.327 0.000 1.029 419 S CA 1.190 59.510 58.200 0.200 0.000 0.978 419 S CB -0.606 62.639 63.200 0.074 0.000 0.833 419 S HN 1.646 nan 8.310 nan 0.000 0.466 420 T N -1.293 113.447 114.554 0.310 0.000 2.903 420 T HA 0.679 4.955 4.350 -0.124 0.000 0.299 420 T C -1.333 173.623 174.700 0.428 0.000 1.093 420 T CA -0.852 61.443 62.100 0.325 0.000 1.002 420 T CB 1.660 70.641 68.868 0.187 0.000 1.127 420 T HN 0.221 nan 8.240 nan 0.000 0.488 421 F N 1.538 121.593 119.950 0.174 0.000 2.520 421 F HA 0.846 5.299 4.527 -0.124 0.000 0.322 421 F C -0.654 175.065 175.800 -0.134 0.000 1.103 421 F CA -0.641 57.340 58.000 -0.031 0.000 0.926 421 F CB 1.356 40.205 39.000 -0.251 0.000 1.154 421 F HN 1.159 nan 8.300 nan 0.000 0.453 422 A N 6.069 128.248 122.820 -1.069 0.000 2.612 422 A HA 0.640 4.886 4.320 -0.124 0.000 0.293 422 A C -2.038 175.042 177.584 -0.839 0.000 1.075 422 A CA -0.722 50.818 52.037 -0.829 0.000 0.680 422 A CB 1.152 19.948 19.000 -0.339 0.000 1.279 422 A HN 0.951 nan 8.150 nan 0.000 0.411 423 I N 1.203 121.451 120.570 -0.537 0.000 2.353 423 I HA 0.645 4.741 4.170 -0.124 0.000 0.293 423 I C 0.349 176.376 176.117 -0.149 0.000 0.992 423 I CA -0.583 60.539 61.300 -0.296 0.000 1.268 423 I CB 1.367 39.261 38.000 -0.176 0.000 1.387 423 I HN 0.834 nan 8.210 nan 0.000 0.478 424 A N 8.417 131.202 122.820 -0.058 0.000 2.252 424 A HA 0.645 4.891 4.320 -0.124 0.000 0.309 424 A C -0.829 176.868 177.584 0.188 0.000 1.285 424 A CA -0.436 51.660 52.037 0.098 0.000 0.900 424 A CB 0.287 19.394 19.000 0.178 0.000 1.157 424 A HN 0.657 nan 8.150 nan 0.000 0.536 425 L N -0.333 120.982 121.223 0.153 0.000 2.322 425 L HA 0.804 5.070 4.340 -0.124 0.000 0.252 425 L C 0.338 177.299 176.870 0.151 0.000 1.055 425 L CA -1.148 53.797 54.840 0.175 0.000 0.849 425 L CB 0.576 42.783 42.059 0.246 0.000 1.446 425 L HN 0.500 nan 8.230 nan 0.000 0.416 426 R N -0.703 119.905 120.500 0.180 0.000 3.225 426 R HA -0.132 4.134 4.340 -0.124 0.000 0.245 426 R C -0.441 175.883 176.300 0.041 0.000 0.928 426 R CA 1.055 57.229 56.100 0.123 0.000 0.632 426 R CB -2.373 28.011 30.300 0.139 0.000 1.038 426 R HN 0.991 nan 8.270 nan 0.000 0.461 427 A N 0.477 123.269 122.820 -0.047 0.000 2.317 427 A HA 0.594 4.839 4.320 -0.124 0.000 0.327 427 A C 0.753 178.214 177.584 -0.205 0.000 1.178 427 A CA 0.036 51.936 52.037 -0.228 0.000 0.817 427 A CB 1.030 19.661 19.000 -0.615 0.000 1.189 427 A HN 0.443 nan 8.150 nan 0.000 0.489 428 S N 1.378 116.969 115.700 -0.182 0.000 2.596 428 S HA 0.378 4.774 4.470 -0.124 0.000 0.260 428 S C 1.352 175.696 174.600 -0.427 0.000 1.336 428 S CA 0.016 58.157 58.200 -0.099 0.000 0.993 428 S CB 0.742 63.904 63.200 -0.063 0.000 0.923 428 S HN 1.708 nan 8.310 nan 0.000 0.567 429 A N 1.411 123.948 122.820 -0.471 0.000 2.019 429 A HA -0.113 4.133 4.320 -0.124 0.000 0.219 429 A C 1.715 179.131 177.584 -0.279 0.000 1.164 429 A CA 1.629 53.229 52.037 -0.728 0.000 0.644 429 A CB -1.142 17.527 19.000 -0.552 0.000 0.805 429 A HN 0.986 nan 8.150 nan 0.000 0.449 430 N N -2.926 115.691 118.700 -0.138 0.000 2.230 430 N HA 0.185 4.851 4.740 -0.124 0.000 0.202 430 N C 0.055 175.674 175.510 0.183 0.000 1.119 430 N CA -0.173 52.915 53.050 0.063 0.000 0.851 430 N CB -0.667 37.831 38.487 0.018 0.000 0.990 430 N HN 0.248 nan 8.380 nan 0.000 0.497 431 F N -0.626 119.294 119.950 -0.049 0.000 3.034 431 F HA -0.298 4.155 4.527 -0.124 0.000 0.286 431 F C 1.538 177.315 175.800 -0.040 0.000 0.804 431 F CA 1.062 59.044 58.000 -0.030 0.000 1.161 431 F CB -2.379 36.596 39.000 -0.042 0.000 1.317 431 F HN 0.341 nan 8.300 nan 0.000 0.453 432 T N -3.334 111.247 114.554 0.045 0.000 3.023 432 T HA -0.054 4.222 4.350 -0.124 0.000 0.266 432 T C 0.628 175.336 174.700 0.013 0.000 1.093 432 T CA 1.041 63.136 62.100 -0.008 0.000 1.129 432 T CB 0.211 69.073 68.868 -0.010 0.000 0.899 432 T HN 0.497 nan 8.240 nan 0.000 0.491 433 E N 1.657 121.875 120.200 0.030 0.000 2.151 433 E HA 0.433 4.709 4.350 -0.124 0.000 0.275 433 E C -0.722 175.904 176.600 0.044 0.000 0.936 433 E CA -0.702 55.738 56.400 0.067 0.000 0.777 433 E CB 0.739 30.473 29.700 0.057 0.000 1.108 433 E HN 0.677 nan 8.360 nan 0.000 0.401 434 Q N 1.362 121.223 119.800 0.101 0.000 2.848 434 Q HA 0.336 4.601 4.340 -0.124 0.000 0.288 434 Q C -1.605 174.468 176.000 0.122 0.000 0.907 434 Q CA -1.013 54.854 55.803 0.107 0.000 0.792 434 Q CB 1.308 30.150 28.738 0.173 0.000 1.534 434 Q HN 0.317 nan 8.270 nan 0.000 0.419 435 T N 1.706 116.322 114.554 0.103 0.000 2.841 435 T HA 0.561 4.837 4.350 -0.124 0.000 0.285 435 T C -0.760 173.972 174.700 0.053 0.000 0.991 435 T CA -0.571 61.574 62.100 0.073 0.000 0.966 435 T CB 0.651 69.548 68.868 0.049 0.000 0.962 435 T HN 0.394 nan 8.240 nan 0.000 0.438 436 L N 3.306 124.554 121.223 0.041 0.000 2.295 436 L HA 0.737 5.003 4.340 -0.124 0.000 0.285 436 L C -0.606 176.162 176.870 -0.169 0.000 1.035 436 L CA -0.967 53.866 54.840 -0.012 0.000 0.806 436 L CB 1.531 43.664 42.059 0.123 0.000 1.214 436 L HN 0.322 nan 8.230 nan 0.000 0.426 437 V N 2.512 122.247 119.914 -0.298 0.000 2.443 437 V HA 0.882 4.928 4.120 -0.124 0.000 0.293 437 V C 0.259 175.980 176.094 -0.623 0.000 1.021 437 V CA -0.251 61.791 62.300 -0.430 0.000 0.848 437 V CB 1.245 32.943 31.823 -0.210 0.000 0.998 437 V HN 0.974 nan 8.190 nan 0.000 0.424 438 G N 3.086 111.257 108.800 -1.049 0.000 2.664 438 G HA2 0.579 4.464 3.960 -0.124 0.000 0.303 438 G HA3 0.579 4.464 3.960 -0.124 0.000 0.303 438 G C -2.364 172.264 174.900 -0.453 0.000 1.243 438 G CA -0.473 44.134 45.100 -0.821 0.000 0.826 438 G HN 0.452 nan 8.290 nan 0.000 0.498 439 Y N 0.629 120.825 120.300 -0.172 0.000 2.433 439 Y HA 0.541 5.017 4.550 -0.124 0.000 0.337 439 Y C -1.493 174.388 175.900 -0.031 0.000 1.026 439 Y CA -0.987 57.104 58.100 -0.015 0.000 1.037 439 Y CB 2.425 40.889 38.460 0.007 0.000 1.245 439 Y HN 0.459 nan 8.280 nan 0.000 0.443 440 D N 5.414 125.595 120.400 -0.365 0.000 2.396 440 D HA 0.106 4.672 4.640 -0.124 0.000 0.225 440 D C 0.335 176.308 176.300 -0.544 0.000 1.121 440 D CA 0.032 53.840 54.000 -0.320 0.000 0.853 440 D CB 0.476 41.155 40.800 -0.202 0.000 1.043 440 D HN 0.559 nan 8.370 nan 0.000 0.500 441 F N 2.642 122.582 119.950 -0.017 0.000 2.134 441 F HA -0.105 4.348 4.527 -0.123 0.000 0.299 441 F C 2.525 178.334 175.800 0.014 0.000 1.097 441 F CA 1.122 59.186 58.000 0.107 0.000 1.264 441 F CB -0.533 38.592 39.000 0.208 0.000 1.001 441 F HN 0.519 nan 8.300 nan 0.000 0.479 442 A N -0.052 122.854 122.820 0.144 0.000 1.898 442 A HA -0.140 4.106 4.320 -0.124 0.000 0.216 442 A C 2.147 179.723 177.584 -0.014 0.000 1.181 442 A CA 1.354 53.429 52.037 0.064 0.000 0.620 442 A CB -0.450 18.570 19.000 0.033 0.000 0.819 442 A HN 0.299 nan 8.150 nan 0.000 0.442 443 K N -0.634 119.708 120.400 -0.096 0.000 2.400 443 K HA 0.040 4.286 4.320 -0.124 0.000 0.194 443 K C -0.350 176.145 176.600 -0.175 0.000 1.033 443 K CA 0.349 56.553 56.287 -0.138 0.000 1.021 443 K CB 0.126 32.516 32.500 -0.183 0.000 0.808 443 K HN 0.565 nan 8.250 nan 0.000 0.505 444 Q N 1.040 120.685 119.800 -0.258 0.000 2.452 444 Q HA -0.221 4.045 4.340 -0.124 0.000 0.318 444 Q C -0.940 174.864 176.000 -0.327 0.000 1.386 444 Q CA 0.786 56.423 55.803 -0.277 0.000 0.872 444 Q CB -1.594 27.170 28.738 0.043 0.000 1.151 444 Q HN 0.442 nan 8.270 nan 0.000 0.417 445 Q N 0.050 119.511 119.800 -0.564 0.000 2.347 445 Q HA 0.563 4.829 4.340 -0.124 0.000 0.271 445 Q C -0.272 175.622 176.000 -0.177 0.000 1.064 445 Q CA -0.787 54.856 55.803 -0.267 0.000 0.800 445 Q CB 1.811 30.473 28.738 -0.128 0.000 1.304 445 Q HN 0.281 nan 8.270 nan 0.000 0.438 446 I N 3.527 124.115 120.570 0.030 0.000 2.648 446 I HA 0.106 4.201 4.170 -0.124 0.000 0.284 446 I C -0.197 175.979 176.117 0.098 0.000 1.153 446 I CA 0.209 61.562 61.300 0.088 0.000 1.426 446 I CB -0.015 38.010 38.000 0.041 0.000 1.381 446 I HN 0.473 nan 8.210 nan 0.000 0.571 447 F N 5.612 125.520 119.950 -0.071 0.000 2.593 447 F HA 0.817 5.269 4.527 -0.124 0.000 0.320 447 F C -1.250 174.459 175.800 -0.151 0.000 1.060 447 F CA -1.212 56.653 58.000 -0.226 0.000 0.940 447 F CB 1.417 40.225 39.000 -0.320 0.000 1.268 447 F HN 0.241 nan 8.300 nan 0.000 0.475 448 L N 2.784 123.964 121.223 -0.071 0.000 2.457 448 L HA 0.386 4.652 4.340 -0.124 0.000 0.266 448 L C -1.761 175.127 176.870 0.030 0.000 0.979 448 L CA -0.416 54.392 54.840 -0.053 0.000 0.857 448 L CB 1.237 43.289 42.059 -0.011 0.000 1.213 448 L HN 0.819 nan 8.230 nan 0.000 0.418 449 D N 4.721 125.160 120.400 0.066 0.000 2.454 449 D HA 0.221 4.787 4.640 -0.124 0.000 0.225 449 D C 0.461 176.774 176.300 0.022 0.000 1.081 449 D CA -0.435 53.588 54.000 0.038 0.000 0.864 449 D CB 1.039 41.924 40.800 0.142 0.000 1.040 449 D HN 0.678 nan 8.370 nan 0.000 0.517 450 R N 1.469 121.950 120.500 -0.032 0.000 2.552 450 R HA 0.106 4.372 4.340 -0.124 0.000 0.314 450 R C 0.991 177.264 176.300 -0.046 0.000 1.041 450 R CA -0.122 55.965 56.100 -0.023 0.000 1.076 450 R CB -0.461 29.796 30.300 -0.071 0.000 1.290 450 R HN 0.215 nan 8.270 nan 0.000 0.563 451 T N -2.336 112.176 114.554 -0.069 0.000 2.833 451 T HA -0.144 4.132 4.350 -0.124 0.000 0.269 451 T C 0.907 175.415 174.700 -0.320 0.000 1.054 451 T CA 0.976 62.969 62.100 -0.179 0.000 1.135 451 T CB -0.298 68.465 68.868 -0.175 0.000 0.869 451 T HN 0.444 nan 8.240 nan 0.000 0.466 452 H N 0.740 119.825 119.070 0.025 0.000 2.505 452 H HA 0.401 4.883 4.556 -0.123 0.000 0.260 452 H C 1.254 176.621 175.328 0.065 0.000 1.168 452 H CA 0.345 56.418 56.048 0.042 0.000 0.945 452 H CB 0.457 30.241 29.762 0.037 0.000 1.800 452 H HN 0.565 nan 8.280 nan 0.000 0.586 453 S N -1.260 114.526 115.700 0.144 0.000 2.558 453 S HA 0.301 4.697 4.470 -0.124 0.000 0.217 453 S C 1.409 176.106 174.600 0.162 0.000 0.975 453 S CA 0.395 58.683 58.200 0.145 0.000 0.912 453 S CB 1.003 64.284 63.200 0.134 0.000 0.776 453 S HN 0.627 nan 8.310 nan 0.000 0.526 454 G N 1.462 110.362 108.800 0.166 0.000 2.181 454 G HA2 -0.025 3.861 3.960 -0.124 0.000 0.098 454 G HA3 -0.025 3.861 3.960 -0.124 0.000 0.098 454 G C -1.743 173.248 174.900 0.151 0.000 1.237 454 G CA -0.250 44.951 45.100 0.168 0.000 1.238 454 G HN 0.291 nan 8.290 nan 0.000 0.468 455 D N 1.551 122.059 120.400 0.181 0.000 2.363 455 D HA 0.361 4.927 4.640 -0.124 0.000 0.263 455 D C 1.321 177.639 176.300 0.031 0.000 1.258 455 D CA 0.820 54.888 54.000 0.113 0.000 0.907 455 D CB 1.038 41.915 40.800 0.128 0.000 1.107 455 D HN 1.228 nan 8.370 nan 0.000 0.495 456 V N 1.488 121.328 119.914 -0.122 0.000 3.166 456 V HA 0.167 4.213 4.120 -0.124 0.000 0.332 456 V C 1.281 177.034 176.094 -0.568 0.000 1.434 456 V CA 0.371 62.446 62.300 -0.374 0.000 1.121 456 V CB -0.247 31.540 31.823 -0.059 0.000 1.062 456 V HN 0.436 nan 8.190 nan 0.000 0.489 457 S N 0.932 116.391 115.700 -0.402 0.000 2.522 457 S HA 0.011 4.407 4.470 -0.124 0.000 0.227 457 S C 1.418 175.863 174.600 -0.259 0.000 0.986 457 S CA 1.083 59.139 58.200 -0.240 0.000 0.929 457 S CB -0.751 62.404 63.200 -0.074 0.000 0.769 457 S HN 0.928 nan 8.310 nan 0.000 0.529 458 F N 0.560 120.390 119.950 -0.202 0.000 2.727 458 F HA 0.537 4.990 4.527 -0.124 0.000 0.302 458 F C 0.227 175.966 175.800 -0.102 0.000 1.097 458 F CA -0.845 57.049 58.000 -0.176 0.000 1.330 458 F CB 0.024 38.860 39.000 -0.274 0.000 1.084 458 F HN 0.123 nan 8.300 nan 0.000 0.578 459 D N 0.615 120.758 120.400 -0.428 0.000 2.836 459 D HA 0.059 4.625 4.640 -0.124 0.000 0.215 459 D C -0.066 176.140 176.300 -0.156 0.000 1.255 459 D CA -0.171 53.755 54.000 -0.124 0.000 0.822 459 D CB 1.609 42.474 40.800 0.109 0.000 1.656 459 D HN 0.164 nan 8.370 nan 0.000 0.511 460 E N 0.381 120.552 120.200 -0.048 0.000 2.268 460 E HA -0.094 4.182 4.350 -0.124 0.000 0.195 460 E C 1.659 178.250 176.600 -0.016 0.000 0.995 460 E CA 1.322 57.695 56.400 -0.045 0.000 0.836 460 E CB 0.254 29.943 29.700 -0.018 0.000 0.763 460 E HN 0.570 nan 8.360 nan 0.000 0.491 461 T N -1.775 112.808 114.554 0.049 0.000 3.088 461 T HA -0.033 4.243 4.350 -0.124 0.000 0.259 461 T C 1.544 176.294 174.700 0.084 0.000 1.122 461 T CA -0.100 62.049 62.100 0.081 0.000 1.095 461 T CB -0.234 68.728 68.868 0.156 0.000 0.930 461 T HN 0.074 nan 8.240 nan 0.000 0.508 462 F N 2.993 122.863 119.950 -0.133 0.000 2.134 462 F HA 0.311 4.763 4.527 -0.124 0.000 0.299 462 F C 1.724 177.428 175.800 -0.160 0.000 1.097 462 F CA 0.585 58.438 58.000 -0.245 0.000 1.264 462 F CB -0.465 38.160 39.000 -0.625 0.000 1.001 462 F HN 0.248 nan 8.300 nan 0.000 0.479 463 A N 0.905 123.689 122.820 -0.061 0.000 2.906 463 A HA 0.500 4.746 4.320 -0.124 0.000 0.289 463 A C -0.154 177.309 177.584 -0.202 0.000 1.675 463 A CA 0.146 52.106 52.037 -0.128 0.000 1.372 463 A CB -0.755 18.162 19.000 -0.138 0.000 1.091 463 A HN 0.235 nan 8.150 nan 0.000 0.579 464 S N -0.089 115.429 115.700 -0.303 0.000 2.661 464 S HA 0.640 5.036 4.470 -0.124 0.000 0.285 464 S C -0.575 173.651 174.600 -0.623 0.000 1.138 464 S CA -0.603 57.318 58.200 -0.464 0.000 0.855 464 S CB 1.908 64.765 63.200 -0.572 0.000 1.136 464 S HN 0.423 nan 8.310 nan 0.000 0.484 465 V N 2.329 121.872 119.914 -0.619 0.000 2.398 465 V HA 0.513 4.559 4.120 -0.124 0.000 0.286 465 V C -1.421 174.225 176.094 -0.746 0.000 1.026 465 V CA -0.475 61.506 62.300 -0.532 0.000 0.868 465 V CB 0.433 32.100 31.823 -0.260 0.000 0.982 465 V HN 0.782 nan 8.190 nan 0.000 0.443 466 Y N 2.676 122.835 120.300 -0.236 0.000 2.567 466 Y HA 0.748 5.224 4.550 -0.123 0.000 0.333 466 Y C 0.094 175.765 175.900 -0.381 0.000 1.106 466 Y CA -0.861 57.131 58.100 -0.181 0.000 1.157 466 Y CB 1.718 40.118 38.460 -0.100 0.000 1.277 466 Y HN 0.674 nan 8.280 nan 0.000 0.490 467 H N -0.832 118.360 119.070 0.203 0.000 2.996 467 H HA 0.691 5.173 4.556 -0.124 0.000 0.368 467 H C -0.494 174.804 175.328 -0.050 0.000 1.185 467 H CA -0.964 55.122 56.048 0.063 0.000 1.160 467 H CB 2.150 31.909 29.762 -0.006 0.000 1.820 467 H HN 0.872 nan 8.280 nan 0.000 0.547 468 G N 1.599 110.314 108.800 -0.141 0.000 2.659 468 G HA2 0.461 4.346 3.960 -0.124 0.000 0.296 468 G HA3 0.461 4.346 3.960 -0.124 0.000 0.296 468 G C -3.178 171.368 174.900 -0.591 0.000 1.369 468 G CA -1.865 42.802 45.100 -0.722 0.000 0.937 468 G HN 0.350 nan 8.290 nan 0.000 0.485 469 P HA 0.454 nan 4.420 nan 0.000 0.279 469 P C -1.127 176.064 177.300 -0.182 0.000 1.239 469 P CA -0.431 62.440 63.100 -0.383 0.000 0.789 469 P CB 2.214 33.703 31.700 -0.351 0.000 0.933 470 L N 2.820 124.033 121.223 -0.016 0.000 2.676 470 L HA 0.315 4.581 4.340 -0.124 0.000 0.262 470 L C -0.678 176.297 176.870 0.175 0.000 0.965 470 L CA 0.038 54.934 54.840 0.092 0.000 0.920 470 L CB 1.499 43.651 42.059 0.155 0.000 1.260 470 L HN 0.241 nan 8.230 nan 0.000 0.422 471 T N 5.531 120.145 114.554 0.099 0.000 2.897 471 T HA 0.451 4.727 4.350 -0.124 0.000 0.294 471 T C -2.353 172.383 174.700 0.061 0.000 1.004 471 T CA -0.746 61.414 62.100 0.100 0.000 1.106 471 T CB 0.682 69.590 68.868 0.067 0.000 0.949 471 T HN 0.412 nan 8.240 nan 0.000 0.520 472 P HA 0.090 nan 4.420 nan 0.000 0.270 472 P C -0.086 177.201 177.300 -0.021 0.000 1.227 472 P CA -0.408 62.674 63.100 -0.029 0.000 0.788 472 P CB 0.369 32.072 31.700 0.005 0.000 0.926 473 D N -1.005 119.364 120.400 -0.051 0.000 2.414 473 D HA -0.014 4.551 4.640 -0.124 0.000 0.259 473 D C 1.021 177.312 176.300 -0.015 0.000 1.269 473 D CA -0.130 53.852 54.000 -0.030 0.000 1.028 473 D CB -0.354 40.419 40.800 -0.044 0.000 1.093 473 D HN 0.268 nan 8.370 nan 0.000 0.545 474 S N -1.601 114.094 115.700 -0.008 0.000 2.419 474 S HA -0.208 4.188 4.470 -0.124 0.000 0.233 474 S C 1.743 176.340 174.600 -0.004 0.000 1.016 474 S CA 1.489 59.688 58.200 -0.001 0.000 0.974 474 S CB -1.351 61.850 63.200 0.001 0.000 0.786 474 S HN 0.768 nan 8.310 nan 0.000 0.492 475 T N -2.771 111.775 114.554 -0.014 0.000 3.107 475 T HA 0.507 4.783 4.350 -0.124 0.000 0.249 475 T C 1.452 176.141 174.700 -0.018 0.000 1.096 475 T CA 0.551 62.642 62.100 -0.016 0.000 1.012 475 T CB -0.167 68.688 68.868 -0.022 0.000 0.977 475 T HN 1.181 nan 8.240 nan 0.000 0.527 476 G N 0.514 109.303 108.800 -0.019 0.000 2.141 476 G HA2 -0.198 3.687 3.960 -0.124 0.000 0.242 476 G HA3 -0.198 3.687 3.960 -0.124 0.000 0.242 476 G C -0.062 174.806 174.900 -0.052 0.000 0.982 476 G CA -0.120 44.971 45.100 -0.015 0.000 0.662 476 G HN 0.698 nan 8.290 nan 0.000 0.527 477 V N 0.954 120.811 119.914 -0.095 0.000 2.439 477 V HA 0.580 4.626 4.120 -0.124 0.000 0.282 477 V C 0.727 176.646 176.094 -0.291 0.000 1.039 477 V CA -0.747 61.447 62.300 -0.177 0.000 0.913 477 V CB 1.838 33.575 31.823 -0.143 0.000 0.983 477 V HN 0.228 nan 8.190 nan 0.000 0.460 478 V N 5.762 125.346 119.914 -0.549 0.000 2.407 478 V HA 0.422 4.468 4.120 -0.124 0.000 0.278 478 V C 0.092 175.702 176.094 -0.807 0.000 1.037 478 V CA -0.704 61.122 62.300 -0.790 0.000 0.900 478 V CB 1.317 32.362 31.823 -1.297 0.000 0.983 478 V HN 0.821 nan 8.190 nan 0.000 0.459 479 K N 5.730 125.870 120.400 -0.434 0.000 2.292 479 K HA 0.747 4.993 4.320 -0.124 0.000 0.257 479 K C -1.407 175.124 176.600 -0.114 0.000 0.940 479 K CA -0.592 55.548 56.287 -0.244 0.000 0.811 479 K CB 2.245 34.667 32.500 -0.130 0.000 1.120 479 K HN 0.490 nan 8.250 nan 0.000 0.428 480 L N 1.501 122.720 121.223 -0.007 0.000 2.385 480 L HA 0.437 4.703 4.340 -0.124 0.000 0.273 480 L C -0.551 176.366 176.870 0.078 0.000 0.990 480 L CA -0.816 54.069 54.840 0.074 0.000 0.821 480 L CB 2.211 44.350 42.059 0.134 0.000 1.279 480 L HN 0.523 nan 8.230 nan 0.000 0.412 481 S N 3.721 119.481 115.700 0.099 0.000 2.449 481 S HA 0.707 5.103 4.470 -0.124 0.000 0.310 481 S C -0.453 174.209 174.600 0.102 0.000 1.096 481 S CA -0.425 57.794 58.200 0.032 0.000 1.095 481 S CB 1.305 64.510 63.200 0.008 0.000 1.007 481 S HN 0.360 nan 8.310 nan 0.000 0.474 482 I N 3.203 123.727 120.570 -0.076 0.000 2.447 482 I HA 0.429 4.525 4.170 -0.124 0.000 0.287 482 I C -1.307 174.693 176.117 -0.196 0.000 1.023 482 I CA -0.501 60.800 61.300 0.003 0.000 1.083 482 I CB 1.286 39.282 38.000 -0.006 0.000 1.245 482 I HN 0.475 nan 8.210 nan 0.000 0.434 483 F N 5.696 125.666 119.950 0.034 0.000 2.404 483 F HA 0.538 4.992 4.527 -0.122 0.000 0.354 483 F C 0.009 175.796 175.800 -0.023 0.000 1.122 483 F CA -0.829 57.192 58.000 0.035 0.000 1.080 483 F CB 1.661 40.778 39.000 0.195 0.000 1.131 483 F HN 0.036 nan 8.300 nan 0.000 0.471 484 V N 3.243 123.107 119.914 -0.083 0.000 2.448 484 V HA 0.421 4.467 4.120 -0.124 0.000 0.295 484 V C -0.690 175.358 176.094 -0.076 0.000 1.025 484 V CA -0.513 61.606 62.300 -0.301 0.000 0.859 484 V CB 1.706 32.933 31.823 -0.993 0.000 0.988 484 V HN 0.671 nan 8.190 nan 0.000 0.431 485 D N 2.353 122.707 120.400 -0.078 0.000 2.614 485 D HA 0.444 5.010 4.640 -0.124 0.000 0.264 485 D C 1.086 177.361 176.300 -0.042 0.000 1.092 485 D CA -0.790 53.168 54.000 -0.070 0.000 1.071 485 D CB 2.005 42.591 40.800 -0.356 0.000 1.443 485 D HN 0.272 nan 8.370 nan 0.000 0.528 486 R N -0.620 119.897 120.500 0.029 0.000 2.117 486 R HA -0.082 4.184 4.340 -0.124 0.000 0.243 486 R C 0.999 177.353 176.300 0.090 0.000 1.143 486 R CA 1.624 57.789 56.100 0.108 0.000 0.968 486 R CB -0.185 30.217 30.300 0.170 0.000 0.863 486 R HN 0.372 nan 8.270 nan 0.000 0.444 487 S N -0.730 114.944 115.700 -0.042 0.000 2.751 487 S HA 0.223 4.619 4.470 -0.124 0.000 0.247 487 S C -0.393 173.977 174.600 -0.383 0.000 1.103 487 S CA -0.621 57.414 58.200 -0.276 0.000 1.090 487 S CB 0.655 63.633 63.200 -0.369 0.000 0.928 487 S HN 0.174 nan 8.310 nan 0.000 0.502 488 S N -0.392 115.140 115.700 -0.279 0.000 2.565 488 S HA 0.797 5.193 4.470 -0.124 0.000 0.269 488 S C -1.265 173.236 174.600 -0.165 0.000 1.153 488 S CA -0.777 57.261 58.200 -0.269 0.000 0.835 488 S CB 1.556 64.518 63.200 -0.397 0.000 1.122 488 S HN 0.365 nan 8.310 nan 0.000 0.462 489 V N 1.208 121.050 119.914 -0.120 0.000 2.577 489 V HA 0.600 4.645 4.120 -0.124 0.000 0.303 489 V C -0.895 175.191 176.094 -0.013 0.000 1.042 489 V CA -0.454 61.812 62.300 -0.056 0.000 0.872 489 V CB 1.679 33.463 31.823 -0.066 0.000 0.998 489 V HN 0.991 nan 8.190 nan 0.000 0.423 490 E N 2.847 123.102 120.200 0.091 0.000 2.224 490 E HA 0.646 4.922 4.350 -0.124 0.000 0.265 490 E C -1.459 175.217 176.600 0.127 0.000 0.878 490 E CA -0.554 55.895 56.400 0.083 0.000 0.759 490 E CB 2.669 32.490 29.700 0.201 0.000 1.164 490 E HN 0.451 nan 8.360 nan 0.000 0.414 491 V N 4.157 124.030 119.914 -0.069 0.000 2.384 491 V HA 0.377 4.423 4.120 -0.124 0.000 0.287 491 V C -0.872 175.137 176.094 -0.142 0.000 1.020 491 V CA -0.677 61.623 62.300 0.000 0.000 0.850 491 V CB 0.478 32.280 31.823 -0.034 0.000 0.987 491 V HN 0.577 nan 8.190 nan 0.000 0.436 492 F N 2.952 122.956 119.950 0.091 0.000 2.361 492 F HA 0.666 5.119 4.527 -0.124 0.000 0.364 492 F C 1.016 176.842 175.800 0.043 0.000 1.117 492 F CA -0.396 57.646 58.000 0.070 0.000 1.071 492 F CB 1.574 40.636 39.000 0.103 0.000 1.188 492 F HN 0.567 nan 8.300 nan 0.000 0.464 493 G N 1.686 110.571 108.800 0.141 0.000 2.377 493 G HA2 0.485 4.371 3.960 -0.124 0.000 0.299 493 G HA3 0.485 4.371 3.960 -0.124 0.000 0.299 493 G C 0.465 175.409 174.900 0.074 0.000 1.150 493 G CA 0.051 45.200 45.100 0.082 0.000 0.847 493 G HN 1.031 nan 8.290 nan 0.000 0.501 494 G N 1.707 110.519 108.800 0.019 0.000 2.660 494 G HA2 -0.364 3.522 3.960 -0.124 0.000 0.321 494 G HA3 -0.364 3.522 3.960 -0.124 0.000 0.321 494 G C 1.095 176.012 174.900 0.028 0.000 1.246 494 G CA 0.885 45.986 45.100 0.000 0.000 1.000 494 G HN 0.787 nan 8.290 nan 0.000 0.550 495 Q N 1.687 121.510 119.800 0.038 0.000 2.415 495 Q HA 0.389 4.655 4.340 -0.124 0.000 0.206 495 Q C 1.730 177.783 176.000 0.089 0.000 0.946 495 Q CA 0.963 56.793 55.803 0.046 0.000 0.951 495 Q CB 0.412 29.173 28.738 0.037 0.000 1.026 495 Q HN 2.023 nan 8.270 nan 0.000 0.510 496 G N 1.440 110.320 108.800 0.134 0.000 2.168 496 G HA2 -0.227 3.659 3.960 -0.124 0.000 0.197 496 G HA3 -0.227 3.659 3.960 -0.124 0.000 0.197 496 G C 0.737 175.725 174.900 0.147 0.000 0.997 496 G CA 0.266 45.490 45.100 0.207 0.000 0.658 496 G HN 0.444 nan 8.290 nan 0.000 0.513 497 E N 0.279 120.548 120.200 0.114 0.000 2.274 497 E HA 0.010 4.286 4.350 -0.124 0.000 0.194 497 E C 0.278 176.966 176.600 0.147 0.000 0.996 497 E CA 1.402 57.873 56.400 0.119 0.000 0.840 497 E CB -0.073 29.694 29.700 0.111 0.000 0.772 497 E HN 0.396 nan 8.360 nan 0.000 0.491 498 T N 1.706 116.328 114.554 0.112 0.000 2.890 498 T HA 0.330 4.606 4.350 -0.124 0.000 0.295 498 T C -0.596 174.121 174.700 0.029 0.000 0.993 498 T CA -0.576 61.591 62.100 0.112 0.000 0.979 498 T CB 1.692 70.572 68.868 0.019 0.000 0.967 498 T HN 0.224 nan 8.240 nan 0.000 0.441 499 T N 1.435 115.986 114.554 -0.005 0.000 2.885 499 T HA 0.822 5.098 4.350 -0.124 0.000 0.285 499 T C -0.653 173.977 174.700 -0.115 0.000 1.019 499 T CA -0.968 60.986 62.100 -0.245 0.000 1.010 499 T CB 1.546 70.068 68.868 -0.576 0.000 1.022 499 T HN 0.488 nan 8.240 nan 0.000 0.466 500 L N 1.878 122.995 121.223 -0.176 0.000 2.439 500 L HA 0.600 4.865 4.340 -0.124 0.000 0.270 500 L C -1.008 175.767 176.870 -0.159 0.000 0.972 500 L CA -0.415 54.367 54.840 -0.097 0.000 0.836 500 L CB 2.152 44.192 42.059 -0.032 0.000 1.255 500 L HN 0.897 nan 8.230 nan 0.000 0.404 501 T N 3.616 118.080 114.554 -0.150 0.000 2.812 501 T HA 0.797 5.073 4.350 -0.124 0.000 0.282 501 T C -0.721 173.892 174.700 -0.145 0.000 0.990 501 T CA -0.480 61.550 62.100 -0.116 0.000 0.960 501 T CB 1.634 70.481 68.868 -0.035 0.000 0.948 501 T HN 0.645 nan 8.240 nan 0.000 0.438 502 A N 3.506 126.240 122.820 -0.143 0.000 2.429 502 A HA 0.573 4.818 4.320 -0.124 0.000 0.289 502 A C -0.477 177.013 177.584 -0.158 0.000 1.043 502 A CA -0.852 51.074 52.037 -0.184 0.000 0.722 502 A CB 1.094 19.978 19.000 -0.193 0.000 1.243 502 A HN 0.737 nan 8.150 nan 0.000 0.415 503 Q N 0.856 120.581 119.800 -0.126 0.000 2.392 503 Q HA 0.547 4.813 4.340 -0.124 0.000 0.262 503 Q C -0.133 175.779 176.000 -0.146 0.000 1.003 503 Q CA 0.373 56.068 55.803 -0.179 0.000 0.888 503 Q CB 1.129 29.836 28.738 -0.052 0.000 1.260 503 Q HN 0.774 nan 8.270 nan 0.000 0.435 504 I N -2.369 117.953 120.570 -0.413 0.000 2.894 504 I HA 0.508 4.604 4.170 -0.124 0.000 0.302 504 I C -1.210 174.453 176.117 -0.756 0.000 1.188 504 I CA -1.125 60.013 61.300 -0.270 0.000 1.014 504 I CB 1.747 39.694 38.000 -0.088 0.000 1.242 504 I HN 0.417 nan 8.210 nan 0.000 0.430 505 F N 3.314 123.263 119.950 -0.003 0.000 2.622 505 F HA 0.511 4.963 4.527 -0.124 0.000 0.338 505 F C -2.573 173.281 175.800 0.091 0.000 1.334 505 F CA -1.834 56.012 58.000 -0.256 0.000 1.179 505 F CB 0.809 39.440 39.000 -0.616 0.000 1.471 505 F HN 0.218 nan 8.300 nan 0.000 0.576 506 P HA 0.265 nan 4.420 nan 0.000 0.276 506 P C -0.043 177.445 177.300 0.314 0.000 1.244 506 P CA -0.437 62.817 63.100 0.257 0.000 0.801 506 P CB 1.098 32.898 31.700 0.168 0.000 1.006 507 S N -0.478 115.344 115.700 0.203 0.000 2.645 507 S HA 0.131 4.527 4.470 -0.124 0.000 0.266 507 S C 1.399 176.061 174.600 0.104 0.000 1.258 507 S CA 0.154 58.446 58.200 0.152 0.000 0.990 507 S CB -0.083 63.184 63.200 0.111 0.000 0.967 507 S HN 0.493 nan 8.310 nan 0.000 0.556 508 S N 0.168 115.905 115.700 0.063 0.000 2.442 508 S HA -0.165 4.231 4.470 -0.124 0.000 0.236 508 S C 1.238 175.854 174.600 0.027 0.000 1.007 508 S CA 1.032 59.254 58.200 0.038 0.000 0.965 508 S CB -0.811 62.400 63.200 0.018 0.000 0.773 508 S HN 0.903 nan 8.310 nan 0.000 0.504 509 D N 1.706 122.127 120.400 0.035 0.000 2.349 509 D HA 0.121 4.687 4.640 -0.124 0.000 0.215 509 D C 0.813 177.120 176.300 0.012 0.000 1.016 509 D CA 0.492 54.512 54.000 0.034 0.000 0.870 509 D CB -0.126 40.717 40.800 0.072 0.000 0.917 509 D HN 0.506 nan 8.370 nan 0.000 0.524 510 A N 1.347 124.179 122.820 0.020 0.000 3.063 510 A HA 0.369 4.615 4.320 -0.124 0.000 0.263 510 A C 0.933 178.491 177.584 -0.045 0.000 1.736 510 A CA -0.459 51.589 52.037 0.018 0.000 1.408 510 A CB -0.609 18.428 19.000 0.062 0.000 1.108 510 A HN 0.268 nan 8.150 nan 0.000 0.621 511 V N -1.990 117.776 119.914 -0.248 0.000 3.199 511 V HA 0.325 4.371 4.120 -0.124 0.000 0.331 511 V C 0.023 175.839 176.094 -0.464 0.000 1.446 511 V CA -0.335 61.792 62.300 -0.290 0.000 1.120 511 V CB -1.692 29.970 31.823 -0.267 0.000 1.051 511 V HN 0.621 nan 8.190 nan 0.000 0.495 512 H N 1.099 120.085 119.070 -0.140 0.000 2.525 512 H HA 0.947 5.429 4.556 -0.123 0.000 0.340 512 H C 0.172 175.443 175.328 -0.095 0.000 1.168 512 H CA 0.418 56.371 56.048 -0.158 0.000 1.247 512 H CB 1.939 31.518 29.762 -0.305 0.000 1.568 512 H HN 0.584 nan 8.280 nan 0.000 0.536 513 A N 1.320 124.244 122.820 0.173 0.000 2.587 513 A HA 0.806 5.052 4.320 -0.124 0.000 0.293 513 A C -1.036 176.662 177.584 0.190 0.000 1.087 513 A CA -0.917 51.228 52.037 0.180 0.000 0.692 513 A CB 1.930 20.882 19.000 -0.080 0.000 1.291 513 A HN 0.897 nan 8.150 nan 0.000 0.407 514 R N 0.150 120.681 120.500 0.053 0.000 2.741 514 R HA 0.666 4.932 4.340 -0.124 0.000 0.276 514 R C -2.071 174.122 176.300 -0.179 0.000 1.028 514 R CA -0.939 55.079 56.100 -0.136 0.000 0.865 514 R CB 0.547 30.681 30.300 -0.277 0.000 1.268 514 R HN 0.528 nan 8.270 nan 0.000 0.475 515 L N 0.819 121.936 121.223 -0.177 0.000 2.322 515 L HA 0.820 5.086 4.340 -0.124 0.000 0.279 515 L C -0.391 176.367 176.870 -0.188 0.000 1.036 515 L CA -1.087 53.642 54.840 -0.185 0.000 0.807 515 L CB 1.916 43.966 42.059 -0.014 0.000 1.226 515 L HN 0.884 nan 8.230 nan 0.000 0.433 516 A N 1.672 124.347 122.820 -0.241 0.000 2.357 516 A HA 0.563 4.809 4.320 -0.124 0.000 0.295 516 A C -0.645 176.921 177.584 -0.031 0.000 1.121 516 A CA -0.389 51.563 52.037 -0.143 0.000 0.742 516 A CB 1.696 20.609 19.000 -0.146 0.000 1.181 516 A HN 0.519 nan 8.150 nan 0.000 0.454 517 S N 2.030 117.770 115.700 0.066 0.000 2.498 517 S HA 0.606 5.002 4.470 -0.124 0.000 0.324 517 S C -0.352 174.292 174.600 0.074 0.000 1.071 517 S CA -0.191 58.108 58.200 0.165 0.000 1.113 517 S CB 0.298 63.571 63.200 0.122 0.000 0.976 517 S HN 0.666 nan 8.310 nan 0.000 0.462 518 T N 3.649 118.261 114.554 0.096 0.000 2.758 518 T HA 0.606 4.882 4.350 -0.124 0.000 0.285 518 T C 1.110 175.840 174.700 0.049 0.000 0.981 518 T CA 0.259 62.387 62.100 0.047 0.000 0.965 518 T CB 1.097 69.987 68.868 0.038 0.000 0.927 518 T HN 1.217 nan 8.240 nan 0.000 0.448 519 G N 2.072 110.883 108.800 0.018 0.000 2.176 519 G HA2 0.121 4.007 3.960 -0.124 0.000 0.253 519 G HA3 0.121 4.007 3.960 -0.124 0.000 0.253 519 G C 0.400 175.303 174.900 0.004 0.000 0.979 519 G CA -0.043 45.063 45.100 0.011 0.000 0.641 519 G HN 1.386 nan 8.290 nan 0.000 0.530 520 G N -2.014 106.788 108.800 0.003 0.000 2.315 520 G HA2 0.691 4.577 3.960 -0.124 0.000 0.294 520 G HA3 0.691 4.577 3.960 -0.124 0.000 0.294 520 G C -0.167 174.717 174.900 -0.026 0.000 1.300 520 G CA 0.643 45.731 45.100 -0.020 0.000 0.843 520 G HN 1.684 nan 8.290 nan 0.000 0.527 521 T N -1.789 112.733 114.554 -0.053 0.000 2.828 521 T HA 0.653 4.928 4.350 -0.124 0.000 0.290 521 T C -0.009 174.623 174.700 -0.112 0.000 1.019 521 T CA 0.032 62.089 62.100 -0.071 0.000 1.031 521 T CB 1.567 70.393 68.868 -0.070 0.000 1.001 521 T HN 0.689 nan 8.240 nan 0.000 0.531 522 T N 2.036 116.510 114.554 -0.134 0.000 2.848 522 T HA 0.432 4.707 4.350 -0.124 0.000 0.285 522 T C -0.688 173.909 174.700 -0.171 0.000 0.995 522 T CA -0.826 61.152 62.100 -0.204 0.000 0.970 522 T CB 1.547 70.215 68.868 -0.334 0.000 0.976 522 T HN 0.616 nan 8.240 nan 0.000 0.441 523 E N 1.812 121.937 120.200 -0.125 0.000 2.222 523 E HA 0.265 4.541 4.350 -0.124 0.000 0.272 523 E C -0.402 176.190 176.600 -0.014 0.000 0.982 523 E CA -0.586 55.779 56.400 -0.057 0.000 0.842 523 E CB 0.885 30.555 29.700 -0.051 0.000 1.144 523 E HN 0.646 nan 8.360 nan 0.000 0.397 524 D N 0.188 120.595 120.400 0.012 0.000 2.697 524 D HA -0.143 4.423 4.640 -0.124 0.000 0.238 524 D C -0.459 175.877 176.300 0.060 0.000 1.152 524 D CA 0.528 54.547 54.000 0.033 0.000 0.666 524 D CB -1.582 39.228 40.800 0.018 0.000 1.037 524 D HN 0.052 nan 8.370 nan 0.000 0.423 525 V N 0.712 120.671 119.914 0.075 0.000 2.530 525 V HA 0.305 4.351 4.120 -0.124 0.000 0.282 525 V C 1.021 177.227 176.094 0.188 0.000 1.048 525 V CA -0.008 62.346 62.300 0.090 0.000 0.997 525 V CB 1.402 33.229 31.823 0.006 0.000 0.987 525 V HN 0.099 nan 8.190 nan 0.000 0.477 526 R N 3.382 123.999 120.500 0.195 0.000 2.575 526 R HA 0.817 5.083 4.340 -0.124 0.000 0.293 526 R C -0.951 175.492 176.300 0.238 0.000 0.983 526 R CA -0.573 55.625 56.100 0.164 0.000 0.887 526 R CB 2.281 32.635 30.300 0.090 0.000 1.184 526 R HN 0.755 nan 8.270 nan 0.000 0.445 527 A N 2.838 125.804 122.820 0.243 0.000 2.408 527 A HA 0.519 4.765 4.320 -0.124 0.000 0.295 527 A C -1.445 176.282 177.584 0.239 0.000 1.040 527 A CA -0.760 51.463 52.037 0.311 0.000 0.707 527 A CB 1.385 20.679 19.000 0.490 0.000 1.235 527 A HN 0.671 nan 8.150 nan 0.000 0.418 528 D N 1.778 122.280 120.400 0.170 0.000 2.819 528 D HA 0.557 5.123 4.640 -0.124 0.000 0.232 528 D C -1.133 175.151 176.300 -0.026 0.000 1.160 528 D CA -0.053 53.957 54.000 0.017 0.000 0.858 528 D CB 2.277 43.048 40.800 -0.049 0.000 1.610 528 D HN 0.464 nan 8.370 nan 0.000 0.481 529 I N 1.894 122.366 120.570 -0.164 0.000 2.498 529 I HA 0.320 4.416 4.170 -0.124 0.000 0.290 529 I C -1.239 174.700 176.117 -0.298 0.000 1.032 529 I CA -0.782 60.460 61.300 -0.098 0.000 1.073 529 I CB 1.524 39.498 38.000 -0.043 0.000 1.251 529 I HN 0.205 nan 8.210 nan 0.000 0.426 530 Y N 4.329 124.655 120.300 0.043 0.000 2.409 530 Y HA 0.377 4.853 4.550 -0.123 0.000 0.343 530 Y C 0.162 176.104 175.900 0.070 0.000 0.973 530 Y CA -0.877 57.237 58.100 0.023 0.000 1.064 530 Y CB 1.793 40.234 38.460 -0.033 0.000 1.207 530 Y HN 0.422 nan 8.280 nan 0.000 0.452 531 K N 3.577 124.101 120.400 0.208 0.000 2.326 531 K HA 0.443 4.689 4.320 -0.124 0.000 0.275 531 K C -1.175 175.517 176.600 0.154 0.000 1.018 531 K CA -0.004 56.394 56.287 0.185 0.000 0.962 531 K CB 0.398 32.972 32.500 0.124 0.000 0.953 531 K HN 0.735 nan 8.250 nan 0.000 0.475 532 I N 3.570 124.227 120.570 0.146 0.000 2.436 532 I HA 0.280 4.376 4.170 -0.124 0.000 0.289 532 I C 0.041 176.225 176.117 0.110 0.000 1.010 532 I CA -0.835 60.505 61.300 0.067 0.000 1.098 532 I CB 1.890 39.830 38.000 -0.100 0.000 1.266 532 I HN 0.757 nan 8.210 nan 0.000 0.434 533 A N 4.404 127.273 122.820 0.081 0.000 2.296 533 A HA 0.495 4.741 4.320 -0.124 0.000 0.264 533 A C 0.266 177.909 177.584 0.098 0.000 1.097 533 A CA -0.215 51.879 52.037 0.094 0.000 0.811 533 A CB 0.806 19.851 19.000 0.074 0.000 1.072 533 A HN 0.652 nan 8.150 nan 0.000 0.495 534 S N -1.321 114.446 115.700 0.111 0.000 2.580 534 S HA 0.309 4.705 4.470 -0.124 0.000 0.274 534 S C 1.321 175.916 174.600 -0.009 0.000 1.329 534 S CA 0.231 58.492 58.200 0.101 0.000 1.036 534 S CB 0.431 63.731 63.200 0.167 0.000 0.919 534 S HN 1.166 nan 8.310 nan 0.000 0.515 535 T N 1.119 115.542 114.554 -0.217 0.000 3.086 535 T HA 0.249 4.525 4.350 -0.124 0.000 0.250 535 T C 0.368 174.877 174.700 -0.319 0.000 1.074 535 T CA -0.527 61.320 62.100 -0.422 0.000 0.988 535 T CB -0.195 68.172 68.868 -0.835 0.000 0.988 535 T HN 0.616 nan 8.240 nan 0.000 0.530 536 W N 0.000 121.258 121.300 -0.070 0.000 2.388 536 W HA 0.000 4.585 4.660 -0.124 0.000 0.303 536 W CA 0.000 57.266 57.345 -0.131 0.000 1.226 536 W CB 0.000 29.258 29.460 -0.337 0.000 1.126 536 W HN 0.000 nan 8.180 nan 0.000 0.535