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 2xe5_1_E DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.711 177.584 0.212 0.000 1.274 1 A CA 0.000 52.183 52.037 0.243 0.000 0.836 1 A CB 0.000 19.182 19.000 0.304 0.000 0.831 2 E N 1.941 122.230 120.200 0.149 0.000 2.166 2 E HA 0.359 4.709 4.350 0.000 0.000 0.279 2 E C 0.626 177.306 176.600 0.133 0.000 1.095 2 E CA 0.039 56.520 56.400 0.135 0.000 0.888 2 E CB 0.116 29.870 29.700 0.090 0.000 1.041 2 E HN 0.658 nan 8.360 nan 0.000 0.414 3 I N 2.328 122.996 120.570 0.163 0.000 4.018 3 I HA 0.329 4.499 4.170 0.000 0.000 0.337 3 I C -0.659 175.585 176.117 0.212 0.000 1.327 3 I CA -0.464 60.930 61.300 0.156 0.000 1.100 3 I CB 0.377 38.465 38.000 0.147 0.000 1.025 3 I HN 0.336 nan 8.210 nan 0.000 0.396 4 Y N 1.723 122.048 120.300 0.041 0.000 2.390 4 Y HA 0.552 5.102 4.550 0.000 0.000 0.324 4 Y C -1.833 174.085 175.900 0.029 0.000 1.151 4 Y CA -1.126 56.989 58.100 0.025 0.000 1.053 4 Y CB 1.313 39.780 38.460 0.011 0.000 1.277 4 Y HN 0.109 nan 8.280 nan 0.000 0.432 5 N N 5.586 124.024 118.700 -0.437 0.000 2.655 5 N HA 0.323 5.063 4.740 0.000 0.000 0.277 5 N C -2.151 173.097 175.510 -0.437 0.000 1.177 5 N CA -0.408 52.462 53.050 -0.300 0.000 0.882 5 N CB 1.451 39.870 38.487 -0.113 0.000 1.481 5 N HN 0.786 nan 8.380 nan 0.000 0.547 6 K N 2.114 122.247 120.400 -0.445 0.000 2.583 6 K HA 0.223 4.543 4.320 0.000 0.000 0.260 6 K C -1.266 175.263 176.600 -0.118 0.000 0.931 6 K CA -0.364 55.715 56.287 -0.346 0.000 0.849 6 K CB 0.769 32.910 32.500 -0.598 0.000 1.347 6 K HN 0.312 nan 8.250 nan 0.000 0.425 7 D N 2.934 123.302 120.400 -0.054 0.000 2.692 7 D HA -0.211 4.429 4.640 0.000 0.000 0.233 7 D C 0.685 177.005 176.300 0.034 0.000 1.172 7 D CA 2.254 56.257 54.000 0.005 0.000 0.636 7 D CB -1.064 39.756 40.800 0.033 0.000 1.028 7 D HN 1.061 nan 8.370 nan 0.000 0.419 8 G N -0.615 108.200 108.800 0.025 0.000 2.176 8 G HA2 -0.361 3.599 3.960 0.000 0.000 0.253 8 G HA3 -0.361 3.599 3.960 0.000 0.000 0.253 8 G C 0.198 175.143 174.900 0.075 0.000 0.979 8 G CA 0.353 45.481 45.100 0.047 0.000 0.641 8 G HN 0.643 nan 8.290 nan 0.000 0.530 9 N N 0.383 119.145 118.700 0.103 0.000 2.269 9 N HA 0.640 5.380 4.740 0.000 0.000 0.304 9 N C -0.429 175.188 175.510 0.177 0.000 1.072 9 N CA -0.477 52.671 53.050 0.163 0.000 0.802 9 N CB 1.057 39.681 38.487 0.228 0.000 1.348 9 N HN 0.580 nan 8.380 nan 0.000 0.484 10 K N 1.465 121.971 120.400 0.178 0.000 2.435 10 K HA 0.715 5.035 4.320 0.000 0.000 0.251 10 K C -1.817 174.911 176.600 0.214 0.000 0.954 10 K CA -0.957 55.443 56.287 0.187 0.000 0.820 10 K CB 1.949 34.509 32.500 0.100 0.000 1.292 10 K HN 0.335 nan 8.250 nan 0.000 0.436 11 L N 1.678 123.042 121.223 0.233 0.000 2.470 11 L HA 0.393 4.733 4.340 0.000 0.000 0.268 11 L C -1.902 175.094 176.870 0.211 0.000 0.964 11 L CA -0.184 54.777 54.840 0.202 0.000 0.839 11 L CB 1.955 44.092 42.059 0.130 0.000 1.276 11 L HN 0.848 nan 8.230 nan 0.000 0.403 12 D N 4.466 125.013 120.400 0.244 0.000 2.349 12 D HA 0.297 4.937 4.640 0.000 0.000 0.232 12 D C -1.278 175.237 176.300 0.357 0.000 1.071 12 D CA -0.258 53.904 54.000 0.270 0.000 0.832 12 D CB 1.414 42.355 40.800 0.234 0.000 1.086 12 D HN 0.491 nan 8.370 nan 0.000 0.504 13 L N 6.630 128.047 121.223 0.323 0.000 2.257 13 L HA 0.408 4.748 4.340 0.000 0.000 0.290 13 L C -1.347 175.743 176.870 0.368 0.000 1.044 13 L CA -0.433 54.604 54.840 0.327 0.000 0.810 13 L CB 0.184 42.427 42.059 0.306 0.000 1.193 13 L HN 0.334 nan 8.230 nan 0.000 0.425 14 Y N 2.975 123.324 120.300 0.081 0.000 2.602 14 Y HA 1.023 5.573 4.550 0.000 0.000 0.342 14 Y C -0.060 175.462 175.900 -0.629 0.000 1.029 14 Y CA -0.762 57.135 58.100 -0.339 0.000 1.080 14 Y CB 1.677 40.009 38.460 -0.214 0.000 1.284 14 Y HN 0.800 nan 8.280 nan 0.000 0.485 15 G N 1.026 109.222 108.800 -1.008 0.000 2.338 15 G HA2 0.506 4.466 3.960 0.000 0.000 0.295 15 G HA3 0.506 4.466 3.960 0.000 0.000 0.295 15 G C -2.343 172.236 174.900 -0.535 0.000 1.461 15 G CA -1.067 43.601 45.100 -0.721 0.000 0.817 15 G HN 1.053 nan 8.290 nan 0.000 0.556 16 K N -1.472 118.841 120.400 -0.146 0.000 2.556 16 K HA 0.772 5.092 4.320 0.000 0.000 0.274 16 K C -1.650 174.956 176.600 0.011 0.000 0.966 16 K CA -1.027 55.238 56.287 -0.036 0.000 0.865 16 K CB 2.291 34.744 32.500 -0.078 0.000 1.444 16 K HN 0.590 nan 8.250 nan 0.000 0.433 17 V N 0.881 120.829 119.914 0.056 0.000 2.487 17 V HA 0.360 4.480 4.120 0.000 0.000 0.298 17 V C -0.877 175.148 176.094 -0.115 0.000 1.028 17 V CA -0.603 61.677 62.300 -0.035 0.000 0.860 17 V CB 1.230 33.087 31.823 0.058 0.000 0.991 17 V HN 0.910 nan 8.190 nan 0.000 0.427 18 E N 3.239 123.243 120.200 -0.327 0.000 2.101 18 E HA 0.540 4.890 4.350 0.000 0.000 0.260 18 E C 0.368 176.836 176.600 -0.220 0.000 0.897 18 E CA -0.423 55.785 56.400 -0.320 0.000 0.744 18 E CB 1.170 30.498 29.700 -0.620 0.000 1.140 18 E HN 0.895 nan 8.360 nan 0.000 0.419 19 G N 4.220 112.954 108.800 -0.110 0.000 2.367 19 G HA2 0.375 4.336 3.960 0.000 0.000 0.280 19 G HA3 0.375 4.336 3.960 0.000 0.000 0.280 19 G C -0.951 173.913 174.900 -0.059 0.000 1.175 19 G CA -0.160 44.902 45.100 -0.065 0.000 1.001 19 G HN 0.388 nan 8.290 nan 0.000 0.437 20 L N 2.507 123.722 121.223 -0.014 0.000 2.436 20 L HA 0.658 4.998 4.340 0.000 0.000 0.268 20 L C -1.144 175.768 176.870 0.070 0.000 0.974 20 L CA -1.118 53.743 54.840 0.035 0.000 0.826 20 L CB 2.267 44.386 42.059 0.100 0.000 1.291 20 L HN 0.628 nan 8.230 nan 0.000 0.406 21 H N 3.152 122.215 119.070 -0.010 0.000 2.667 21 H HA 0.610 5.166 4.556 0.000 0.000 0.353 21 H C -1.648 173.665 175.328 -0.024 0.000 1.072 21 H CA -0.316 55.663 56.048 -0.116 0.000 1.214 21 H CB 1.223 30.820 29.762 -0.275 0.000 1.600 21 H HN 0.494 nan 8.280 nan 0.000 0.527 22 Y N 4.115 124.054 120.300 -0.602 0.000 2.342 22 Y HA 0.321 4.871 4.550 0.000 0.000 0.334 22 Y C -0.854 174.764 175.900 -0.469 0.000 1.067 22 Y CA -1.030 56.885 58.100 -0.307 0.000 1.128 22 Y CB 0.641 39.012 38.460 -0.148 0.000 1.200 22 Y HN 0.510 nan 8.280 nan 0.000 0.464 23 F N 1.487 121.559 119.950 0.204 0.000 2.449 23 F HA 0.587 5.115 4.527 0.000 0.000 0.342 23 F C 0.201 176.055 175.800 0.090 0.000 1.127 23 F CA -0.492 57.601 58.000 0.155 0.000 0.975 23 F CB 2.020 41.100 39.000 0.134 0.000 1.146 23 F HN 0.295 nan 8.300 nan 0.000 0.444 24 S N 1.282 117.122 115.700 0.233 0.000 2.547 24 S HA 0.269 4.739 4.470 0.000 0.000 0.270 24 S C -0.121 174.543 174.600 0.107 0.000 1.150 24 S CA -0.726 57.556 58.200 0.137 0.000 0.850 24 S CB 1.276 64.533 63.200 0.094 0.000 1.118 24 S HN 0.596 nan 8.310 nan 0.000 0.461 25 D N 1.485 121.930 120.400 0.075 0.000 2.269 25 D HA -0.012 4.628 4.640 0.000 0.000 0.208 25 D C 0.453 176.777 176.300 0.040 0.000 0.963 25 D CA 0.708 54.742 54.000 0.056 0.000 0.864 25 D CB -0.159 40.667 40.800 0.043 0.000 0.936 25 D HN 0.453 nan 8.370 nan 0.000 0.505 26 N N 1.933 120.653 118.700 0.033 0.000 2.405 26 N HA -0.056 4.684 4.740 0.000 0.000 0.260 26 N C 0.337 175.863 175.510 0.027 0.000 1.152 26 N CA 0.066 53.128 53.050 0.019 0.000 0.948 26 N CB 0.860 39.350 38.487 0.004 0.000 1.111 26 N HN -0.149 nan 8.380 nan 0.000 0.485 27 D N 1.215 121.627 120.400 0.019 0.000 2.218 27 D HA -0.149 4.492 4.640 0.000 0.000 0.204 27 D C 1.399 177.702 176.300 0.006 0.000 0.976 27 D CA 1.120 55.130 54.000 0.018 0.000 0.853 27 D CB 0.010 40.817 40.800 0.012 0.000 0.939 27 D HN 0.685 nan 8.370 nan 0.000 0.481 28 S N -0.350 115.350 115.700 -0.000 0.000 2.561 28 S HA 0.007 4.477 4.470 0.000 0.000 0.225 28 S C 1.366 175.967 174.600 0.002 0.000 0.977 28 S CA 0.381 58.574 58.200 -0.012 0.000 0.926 28 S CB 0.178 63.365 63.200 -0.022 0.000 0.769 28 S HN 0.002 nan 8.310 nan 0.000 0.533 29 K N 0.868 121.290 120.400 0.037 0.000 2.413 29 K HA 0.318 4.638 4.320 0.000 0.000 0.204 29 K C -0.860 175.827 176.600 0.147 0.000 1.041 29 K CA 0.015 56.375 56.287 0.121 0.000 1.082 29 K CB 0.392 32.973 32.500 0.135 0.000 0.871 29 K HN 0.433 nan 8.250 nan 0.000 0.535 30 D N 0.146 120.569 120.400 0.039 0.000 2.308 30 D HA 0.522 5.162 4.640 0.000 0.000 0.242 30 D C 0.247 176.464 176.300 -0.138 0.000 1.059 30 D CA 0.235 54.232 54.000 -0.005 0.000 0.830 30 D CB 1.095 41.919 40.800 0.041 0.000 1.161 30 D HN 0.258 nan 8.370 nan 0.000 0.494 31 G N 3.118 111.678 108.800 -0.399 0.000 2.318 31 G HA2 -0.025 3.935 3.960 0.000 0.000 0.367 31 G HA3 -0.025 3.935 3.960 0.000 0.000 0.367 31 G C -1.045 173.382 174.900 -0.789 0.000 1.260 31 G CA -0.715 44.030 45.100 -0.591 0.000 1.055 31 G HN 0.601 nan 8.290 nan 0.000 0.484 32 D N 0.387 120.556 120.400 -0.385 0.000 2.417 32 D HA 0.475 5.115 4.640 0.000 0.000 0.250 32 D C 0.834 176.998 176.300 -0.226 0.000 1.166 32 D CA 0.186 54.066 54.000 -0.201 0.000 0.881 32 D CB 0.713 41.492 40.800 -0.035 0.000 1.164 32 D HN 0.356 nan 8.370 nan 0.000 0.467 33 K N 2.405 122.681 120.400 -0.207 0.000 2.536 33 K HA 0.123 4.443 4.320 0.000 0.000 0.203 33 K C -0.204 176.402 176.600 0.010 0.000 1.063 33 K CA -0.298 55.869 56.287 -0.200 0.000 1.063 33 K CB 0.422 32.633 32.500 -0.481 0.000 0.843 33 K HN 0.405 nan 8.250 nan 0.000 0.521 34 T N 2.521 117.081 114.554 0.011 0.000 2.933 34 T HA 0.038 4.388 4.350 0.000 0.000 0.306 34 T C -0.067 174.700 174.700 0.111 0.000 1.045 34 T CA 0.806 62.922 62.100 0.026 0.000 1.143 34 T CB -0.145 68.718 68.868 -0.007 0.000 1.003 34 T HN 0.282 nan 8.240 nan 0.000 0.540 35 Y N 0.487 120.759 120.300 -0.048 0.000 2.670 35 Y HA 0.758 5.308 4.550 0.000 0.000 0.334 35 Y C -1.179 174.686 175.900 -0.057 0.000 1.185 35 Y CA -1.758 56.296 58.100 -0.077 0.000 1.053 35 Y CB 1.492 39.888 38.460 -0.107 0.000 1.298 35 Y HN 0.461 nan 8.280 nan 0.000 0.459 36 M N 2.714 122.342 119.600 0.046 0.000 2.464 36 M HA 0.590 5.070 4.480 0.000 0.000 0.308 36 M C -1.837 174.494 176.300 0.051 0.000 1.127 36 M CA -0.516 54.772 55.300 -0.020 0.000 0.913 36 M CB 2.468 35.068 32.600 0.000 0.000 1.689 36 M HN 1.065 nan 8.290 nan 0.000 0.445 37 R N 2.553 123.061 120.500 0.013 0.000 2.750 37 R HA 0.836 5.176 4.340 0.000 0.000 0.281 37 R C -1.844 174.397 176.300 -0.099 0.000 0.972 37 R CA -0.787 55.290 56.100 -0.038 0.000 0.912 37 R CB 2.557 32.877 30.300 0.034 0.000 1.187 37 R HN 0.613 nan 8.270 nan 0.000 0.464 38 L N 0.804 121.905 121.223 -0.203 0.000 2.513 38 L HA 0.797 5.137 4.340 0.000 0.000 0.261 38 L C -1.255 175.275 176.870 -0.567 0.000 0.945 38 L CA 0.006 54.688 54.840 -0.264 0.000 0.848 38 L CB 2.345 44.385 42.059 -0.032 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.507 110.786 108.800 -0.868 0.000 2.645 39 G HA2 0.658 4.618 3.960 0.000 0.000 0.292 39 G HA3 0.658 4.618 3.960 0.000 0.000 0.292 39 G C -1.945 172.635 174.900 -0.533 0.000 1.415 39 G CA -0.372 44.160 45.100 -0.947 0.000 0.785 39 G HN 0.887 nan 8.290 nan 0.000 0.483 40 F N -0.864 119.034 119.950 -0.086 0.000 2.576 40 F HA 0.893 5.420 4.527 0.000 0.000 0.313 40 F C -0.727 175.225 175.800 0.253 0.000 1.078 40 F CA -1.268 56.812 58.000 0.133 0.000 0.921 40 F CB 2.584 41.680 39.000 0.160 0.000 1.232 40 F HN 0.494 nan 8.300 nan 0.000 0.459 41 K N 2.561 123.309 120.400 0.581 0.000 2.507 41 K HA 0.653 4.973 4.320 0.000 0.000 0.252 41 K C -1.153 175.669 176.600 0.370 0.000 0.943 41 K CA -0.793 55.735 56.287 0.402 0.000 0.808 41 K CB 1.902 34.570 32.500 0.281 0.000 1.142 41 K HN 1.112 nan 8.250 nan 0.000 0.426 42 G N 2.676 111.690 108.800 0.357 0.000 2.566 42 G HA2 0.406 4.366 3.960 0.000 0.000 0.311 42 G HA3 0.406 4.366 3.960 0.000 0.000 0.311 42 G C -1.611 173.442 174.900 0.255 0.000 1.322 42 G CA -0.376 44.889 45.100 0.274 0.000 0.969 42 G HN 0.586 nan 8.290 nan 0.000 0.490 43 E N 0.573 120.896 120.200 0.205 0.000 2.263 43 E HA 0.537 4.887 4.350 0.000 0.000 0.268 43 E C -1.386 175.312 176.600 0.162 0.000 0.884 43 E CA -0.630 55.890 56.400 0.199 0.000 0.766 43 E CB 2.250 32.036 29.700 0.144 0.000 1.196 43 E HN 0.390 nan 8.360 nan 0.000 0.416 44 T N 3.371 118.024 114.554 0.165 0.000 2.824 44 T HA 0.231 4.581 4.350 0.000 0.000 0.282 44 T C -0.945 173.827 174.700 0.119 0.000 0.993 44 T CA -0.657 61.521 62.100 0.130 0.000 0.967 44 T CB 1.245 70.183 68.868 0.118 0.000 0.960 44 T HN 0.395 nan 8.240 nan 0.000 0.441 45 Q N 4.196 124.052 119.800 0.093 0.000 2.307 45 Q HA 0.230 4.570 4.340 0.000 0.000 0.259 45 Q C 0.934 176.984 176.000 0.082 0.000 0.998 45 Q CA -0.113 55.739 55.803 0.081 0.000 0.923 45 Q CB 1.695 30.467 28.738 0.056 0.000 1.196 45 Q HN 0.609 nan 8.270 nan 0.000 0.416 46 V N 2.128 122.100 119.914 0.096 0.000 2.341 46 V HA -0.039 4.081 4.120 0.000 0.000 0.240 46 V C 1.224 177.371 176.094 0.087 0.000 1.035 46 V CA 1.860 64.216 62.300 0.094 0.000 1.033 46 V CB 0.059 31.950 31.823 0.112 0.000 0.678 46 V HN 0.849 nan 8.190 nan 0.000 0.464 47 T N -3.567 111.047 114.554 0.101 0.000 2.773 47 T HA 0.271 4.621 4.350 0.000 0.000 0.278 47 T C 0.368 175.103 174.700 0.059 0.000 1.011 47 T CA -0.321 61.833 62.100 0.089 0.000 1.014 47 T CB 1.565 70.510 68.868 0.128 0.000 1.293 47 T HN 0.109 nan 8.240 nan 0.000 0.554 48 D N 0.073 120.496 120.400 0.038 0.000 2.263 48 D HA -0.052 4.589 4.640 0.000 0.000 0.208 48 D C 1.684 177.950 176.300 -0.056 0.000 0.971 48 D CA 1.250 55.250 54.000 -0.001 0.000 0.867 48 D CB 0.155 40.953 40.800 -0.003 0.000 0.929 48 D HN 0.613 nan 8.370 nan 0.000 0.492 49 Q N -0.747 118.999 119.800 -0.090 0.000 2.378 49 Q HA 0.156 4.496 4.340 0.000 0.000 0.229 49 Q C 0.061 175.901 176.000 -0.266 0.000 0.882 49 Q CA -0.192 55.404 55.803 -0.344 0.000 0.936 49 Q CB 1.133 29.428 28.738 -0.738 0.000 1.092 49 Q HN 0.044 nan 8.270 nan 0.000 0.535 50 L N 1.947 123.206 121.223 0.061 0.000 2.298 50 L HA 0.369 4.710 4.340 0.000 0.000 0.284 50 L C -0.495 176.473 176.870 0.165 0.000 1.013 50 L CA -0.149 54.837 54.840 0.243 0.000 0.824 50 L CB 1.492 43.779 42.059 0.380 0.000 1.221 50 L HN -0.013 nan 8.230 nan 0.000 0.418 51 T N 1.444 116.104 114.554 0.176 0.000 2.888 51 T HA 0.872 5.222 4.350 0.000 0.000 0.284 51 T C 0.100 174.951 174.700 0.253 0.000 1.017 51 T CA -0.445 61.767 62.100 0.187 0.000 1.022 51 T CB 1.633 70.599 68.868 0.164 0.000 1.013 51 T HN 0.795 nan 8.240 nan 0.000 0.465 52 G N 1.321 110.254 108.800 0.222 0.000 2.417 52 G HA2 0.683 4.643 3.960 0.000 0.000 0.334 52 G HA3 0.683 4.643 3.960 0.000 0.000 0.334 52 G C -1.436 173.635 174.900 0.285 0.000 1.150 52 G CA -1.098 44.117 45.100 0.192 0.000 0.923 52 G HN 1.003 nan 8.290 nan 0.000 0.485 53 Y N -1.330 119.061 120.300 0.153 0.000 2.638 53 Y HA 0.815 5.365 4.550 0.000 0.000 0.335 53 Y C -0.127 175.876 175.900 0.171 0.000 1.155 53 Y CA -1.365 56.831 58.100 0.159 0.000 1.046 53 Y CB 1.349 39.909 38.460 0.167 0.000 1.303 53 Y HN 0.958 nan 8.280 nan 0.000 0.460 54 G N 0.824 109.814 108.800 0.316 0.000 2.718 54 G HA2 0.538 4.498 3.960 0.000 0.000 0.295 54 G HA3 0.538 4.498 3.960 0.000 0.000 0.295 54 G C -2.487 172.456 174.900 0.073 0.000 1.421 54 G CA -0.969 44.226 45.100 0.159 0.000 0.902 54 G HN 0.888 nan 8.290 nan 0.000 0.501 55 Q N -0.287 119.288 119.800 -0.374 0.000 2.353 55 Q HA 0.565 4.905 4.340 0.000 0.000 0.275 55 Q C -2.368 173.267 176.000 -0.610 0.000 1.029 55 Q CA -0.935 54.561 55.803 -0.512 0.000 0.848 55 Q CB 2.854 31.258 28.738 -0.558 0.000 1.390 55 Q HN 0.666 nan 8.270 nan 0.000 0.401 56 W N 3.216 124.004 121.300 -0.852 0.000 3.097 56 W HA 0.564 5.224 4.660 0.000 0.000 0.335 56 W C -1.882 174.363 176.519 -0.456 0.000 1.114 56 W CA -0.243 56.675 57.345 -0.712 0.000 1.231 56 W CB 1.607 30.413 29.460 -1.091 0.000 1.388 56 W HN 0.716 nan 8.180 nan 0.000 0.485 57 E N 4.667 124.261 120.200 -1.010 0.000 2.308 57 E HA 0.372 4.722 4.350 0.000 0.000 0.275 57 E C -2.336 173.722 176.600 -0.904 0.000 0.890 57 E CA -0.778 55.104 56.400 -0.863 0.000 0.754 57 E CB 2.181 31.722 29.700 -0.265 0.000 1.207 57 E HN 0.412 nan 8.360 nan 0.000 0.426 58 Y N 2.020 121.702 120.300 -1.030 0.000 2.477 58 Y HA 0.338 4.889 4.550 0.000 0.000 0.347 58 Y C -1.201 174.378 175.900 -0.534 0.000 0.981 58 Y CA -0.590 57.049 58.100 -0.769 0.000 1.033 58 Y CB 2.180 40.137 38.460 -0.839 0.000 1.245 58 Y HN 0.586 nan 8.280 nan 0.000 0.455 59 Q N 4.995 124.248 119.800 -0.912 0.000 2.337 59 Q HA 0.752 5.092 4.340 0.000 0.000 0.266 59 Q C -1.886 173.442 176.000 -1.120 0.000 1.023 59 Q CA -0.654 54.592 55.803 -0.929 0.000 0.829 59 Q CB 1.456 29.529 28.738 -1.108 0.000 1.306 59 Q HN 0.732 nan 8.270 nan 0.000 0.449 60 I N 3.460 123.655 120.570 -0.625 0.000 2.468 60 I HA 0.227 4.397 4.170 0.000 0.000 0.285 60 I C -0.572 175.392 176.117 -0.255 0.000 1.039 60 I CA -1.075 59.965 61.300 -0.433 0.000 1.074 60 I CB 1.862 39.758 38.000 -0.174 0.000 1.228 60 I HN 0.513 nan 8.210 nan 0.000 0.436 61 Q N 3.626 123.272 119.800 -0.257 0.000 2.364 61 Q HA 0.214 4.554 4.340 0.000 0.000 0.267 61 Q C 0.868 176.853 176.000 -0.026 0.000 0.999 61 Q CA 0.192 55.941 55.803 -0.091 0.000 0.886 61 Q CB 1.462 30.175 28.738 -0.042 0.000 1.243 61 Q HN 0.926 nan 8.270 nan 0.000 0.415 62 G N 1.766 110.576 108.800 0.017 0.000 3.651 62 G HA2 -0.038 3.922 3.960 0.000 0.000 0.279 62 G HA3 -0.038 3.922 3.960 0.000 0.000 0.279 62 G C 0.385 175.287 174.900 0.003 0.000 1.024 62 G CA -0.272 44.832 45.100 0.007 0.000 0.813 62 G HN 0.599 nan 8.290 nan 0.000 0.518 63 N N 0.015 118.716 118.700 0.001 0.000 2.234 63 N HA 0.123 4.863 4.740 0.000 0.000 0.227 63 N C -0.123 175.380 175.510 -0.012 0.000 1.151 63 N CA -0.252 52.791 53.050 -0.012 0.000 0.865 63 N CB 0.619 39.087 38.487 -0.033 0.000 1.066 63 N HN 0.300 nan 8.380 nan 0.000 0.515 64 E N 0.987 121.184 120.200 -0.004 0.000 2.235 64 E HA 0.465 4.815 4.350 0.000 0.000 0.265 64 E C -2.263 174.338 176.600 0.002 0.000 0.940 64 E CA -1.921 54.479 56.400 -0.001 0.000 0.819 64 E CB 1.477 31.181 29.700 0.006 0.000 1.206 64 E HN 0.170 nan 8.360 nan 0.000 0.409 65 P HA 0.087 nan 4.420 nan 0.000 0.274 65 P C -0.259 177.046 177.300 0.008 0.000 1.256 65 P CA -0.077 63.026 63.100 0.004 0.000 0.795 65 P CB 0.766 32.468 31.700 0.004 0.000 1.038 66 E N -0.363 119.842 120.200 0.008 0.000 2.418 66 E HA -0.088 4.262 4.350 0.000 0.000 0.197 66 E C 1.619 178.226 176.600 0.013 0.000 1.026 66 E CA 0.893 57.300 56.400 0.011 0.000 0.862 66 E CB -0.019 29.686 29.700 0.009 0.000 0.799 66 E HN 0.492 nan 8.360 nan 0.000 0.518 67 S N 0.182 115.889 115.700 0.012 0.000 2.496 67 S HA -0.076 4.394 4.470 0.000 0.000 0.224 67 S C 0.628 175.238 174.600 0.016 0.000 0.996 67 S CA 0.422 58.630 58.200 0.013 0.000 0.927 67 S CB 0.366 63.572 63.200 0.010 0.000 0.774 67 S HN 0.042 nan 8.310 nan 0.000 0.524 68 D N 0.709 121.119 120.400 0.017 0.000 2.752 68 D HA 0.224 4.864 4.640 0.000 0.000 0.242 68 D C -1.458 174.856 176.300 0.024 0.000 1.295 68 D CA -0.224 53.789 54.000 0.021 0.000 0.846 68 D CB -0.081 40.729 40.800 0.017 0.000 1.454 68 D HN 0.404 nan 8.370 nan 0.000 0.535 69 N N 1.114 119.831 118.700 0.029 0.000 2.372 69 N HA 0.478 5.218 4.740 0.000 0.000 0.291 69 N C -0.726 174.809 175.510 0.041 0.000 1.024 69 N CA -0.459 52.608 53.050 0.028 0.000 0.873 69 N CB 0.975 39.474 38.487 0.021 0.000 1.206 69 N HN 0.220 nan 8.380 nan 0.000 0.486 70 S N 1.612 117.340 115.700 0.047 0.000 2.509 70 S HA 0.715 5.185 4.470 0.000 0.000 0.297 70 S C -0.448 174.152 174.600 -0.001 0.000 1.118 70 S CA -0.619 57.635 58.200 0.090 0.000 1.074 70 S CB 1.547 64.850 63.200 0.172 0.000 1.038 70 S HN 0.628 nan 8.310 nan 0.000 0.498 71 S N 0.553 116.252 115.700 -0.002 0.000 2.638 71 S HA 0.912 5.382 4.470 0.000 0.000 0.274 71 S C -1.560 172.937 174.600 -0.171 0.000 1.157 71 S CA -1.046 56.921 58.200 -0.389 0.000 0.826 71 S CB 0.730 63.679 63.200 -0.418 0.000 1.139 71 S HN 1.591 nan 8.310 nan 0.000 0.474 72 W N -1.214 119.684 121.300 -0.670 0.000 3.298 72 W HA 0.635 5.295 4.660 0.000 0.000 0.302 72 W C -1.692 174.586 176.519 -0.402 0.000 1.255 72 W CA -0.831 56.289 57.345 -0.374 0.000 1.196 72 W CB 0.299 29.638 29.460 -0.202 0.000 1.364 72 W HN 0.571 nan 8.180 nan 0.000 0.566 73 T N 2.954 117.669 114.554 0.269 0.000 2.761 73 T HA 0.256 4.606 4.350 0.000 0.000 0.296 73 T C 0.997 175.797 174.700 0.167 0.000 0.934 73 T CA -0.339 61.919 62.100 0.265 0.000 1.091 73 T CB 1.129 70.219 68.868 0.371 0.000 0.896 73 T HN 0.513 nan 8.240 nan 0.000 0.515 74 R N 1.883 122.396 120.500 0.022 0.000 2.064 74 R HA 0.196 4.536 4.340 0.000 0.000 0.221 74 R C 0.828 177.106 176.300 -0.038 0.000 1.136 74 R CA 0.548 56.657 56.100 0.016 0.000 0.980 74 R CB 0.199 30.489 30.300 -0.017 0.000 0.876 74 R HN 0.592 nan 8.270 nan 0.000 0.437 75 V N -3.569 116.320 119.914 -0.043 0.000 3.007 75 V HA 0.895 5.015 4.120 0.000 0.000 0.311 75 V C -1.470 174.652 176.094 0.047 0.000 1.120 75 V CA -1.130 61.209 62.300 0.064 0.000 0.980 75 V CB 2.024 33.978 31.823 0.218 0.000 1.033 75 V HN 0.089 nan 8.190 nan 0.000 0.429 76 A N 4.188 127.102 122.820 0.158 0.000 2.562 76 A HA 0.802 5.122 4.320 0.000 0.000 0.297 76 A C -1.131 176.552 177.584 0.166 0.000 1.100 76 A CA -0.292 51.820 52.037 0.126 0.000 0.914 76 A CB 0.387 19.534 19.000 0.244 0.000 1.490 76 A HN 2.177 nan 8.150 nan 0.000 0.391 77 F N -0.079 119.920 119.950 0.081 0.000 2.631 77 F HA 0.941 5.468 4.527 0.000 0.000 0.308 77 F C -0.260 175.583 175.800 0.072 0.000 1.097 77 F CA -0.937 57.095 58.000 0.052 0.000 0.952 77 F CB 1.276 40.297 39.000 0.035 0.000 1.307 77 F HN 0.811 nan 8.300 nan 0.000 0.450 78 A N 1.023 124.003 122.820 0.266 0.000 2.374 78 A HA 1.016 5.336 4.320 0.000 0.000 0.317 78 A C -0.379 177.180 177.584 -0.042 0.000 1.094 78 A CA -0.344 51.747 52.037 0.091 0.000 0.765 78 A CB 1.249 20.305 19.000 0.092 0.000 1.268 78 A HN 1.871 nan 8.150 nan 0.000 0.438 79 G N -0.390 108.120 108.800 -0.484 0.000 2.608 79 G HA2 0.587 4.548 3.960 0.000 0.000 0.291 79 G HA3 0.587 4.548 3.960 0.000 0.000 0.291 79 G C -1.755 172.762 174.900 -0.639 0.000 1.425 79 G CA -0.636 44.066 45.100 -0.663 0.000 0.787 79 G HN 0.757 nan 8.290 nan 0.000 0.484 80 L N -0.057 121.103 121.223 -0.105 0.000 2.370 80 L HA 0.711 5.051 4.340 0.000 0.000 0.266 80 L C -0.318 176.778 176.870 0.377 0.000 1.002 80 L CA -0.905 54.035 54.840 0.166 0.000 0.818 80 L CB 2.661 44.833 42.059 0.188 0.000 1.325 80 L HN 0.517 nan 8.230 nan 0.000 0.418 81 K N 2.141 122.775 120.400 0.389 0.000 2.507 81 K HA 0.482 4.802 4.320 0.000 0.000 0.252 81 K C -1.887 174.880 176.600 0.277 0.000 0.943 81 K CA -0.460 56.010 56.287 0.304 0.000 0.808 81 K CB 1.654 34.294 32.500 0.233 0.000 1.142 81 K HN 0.372 nan 8.250 nan 0.000 0.426 82 F N 2.987 122.993 119.950 0.094 0.000 2.469 82 F HA 0.305 4.832 4.527 0.000 0.000 0.332 82 F C 0.023 175.854 175.800 0.050 0.000 1.103 82 F CA -0.479 57.568 58.000 0.077 0.000 0.979 82 F CB 1.711 40.765 39.000 0.089 0.000 1.137 82 F HN 0.522 nan 8.300 nan 0.000 0.463 83 Q N 3.929 123.400 119.800 -0.548 0.000 2.300 83 Q HA 0.134 4.474 4.340 0.000 0.000 0.280 83 Q C 0.016 175.928 176.000 -0.148 0.000 1.033 83 Q CA 0.872 56.487 55.803 -0.313 0.000 0.903 83 Q CB 0.196 28.720 28.738 -0.356 0.000 1.195 83 Q HN 0.717 nan 8.270 nan 0.000 0.386 84 D N 1.841 122.216 120.400 -0.041 0.000 3.039 84 D HA -0.181 4.459 4.640 0.000 0.000 0.222 84 D C 0.055 176.447 176.300 0.153 0.000 1.179 84 D CA 1.120 55.151 54.000 0.052 0.000 0.880 84 D CB -1.336 39.515 40.800 0.085 0.000 1.115 84 D HN 0.343 nan 8.370 nan 0.000 0.416 85 V N -1.863 118.140 119.914 0.147 0.000 3.251 85 V HA 0.579 4.699 4.120 0.000 0.000 0.239 85 V C 1.280 177.417 176.094 0.071 0.000 1.332 85 V CA 0.949 63.402 62.300 0.255 0.000 1.224 85 V CB 1.168 33.272 31.823 0.469 0.000 1.004 85 V HN 0.595 nan 8.190 nan 0.000 0.464 86 G N 0.704 109.500 108.800 -0.007 0.000 2.331 86 G HA2 0.238 4.198 3.960 0.000 0.000 0.402 86 G HA3 0.238 4.198 3.960 0.000 0.000 0.402 86 G C -0.609 174.228 174.900 -0.105 0.000 1.275 86 G CA -0.060 44.897 45.100 -0.239 0.000 1.003 86 G HN 0.921 nan 8.290 nan 0.000 0.500 87 S N -1.313 114.239 115.700 -0.247 0.000 2.599 87 S HA 0.875 5.345 4.470 0.000 0.000 0.294 87 S C -1.122 173.526 174.600 0.080 0.000 1.094 87 S CA -0.579 57.633 58.200 0.021 0.000 0.931 87 S CB 2.492 65.734 63.200 0.071 0.000 1.093 87 S HN 1.940 nan 8.310 nan 0.000 0.488 88 F N 1.510 121.526 119.950 0.111 0.000 2.556 88 F HA 0.668 5.195 4.527 0.000 0.000 0.314 88 F C -1.868 174.016 175.800 0.140 0.000 1.106 88 F CA -0.492 57.593 58.000 0.141 0.000 0.911 88 F CB 1.685 40.794 39.000 0.182 0.000 1.190 88 F HN 0.919 nan 8.300 nan 0.000 0.448 89 D N 3.427 123.407 120.400 -0.699 0.000 2.661 89 D HA 0.379 5.019 4.640 0.000 0.000 0.228 89 D C -2.065 173.869 176.300 -0.610 0.000 1.183 89 D CA -0.555 53.145 54.000 -0.500 0.000 0.844 89 D CB 1.906 42.640 40.800 -0.111 0.000 1.555 89 D HN 0.474 nan 8.370 nan 0.000 0.453 90 Y N 0.452 120.553 120.300 -0.331 0.000 2.442 90 Y HA 0.702 5.252 4.550 0.000 0.000 0.344 90 Y C 0.141 176.099 175.900 0.095 0.000 0.976 90 Y CA 0.327 58.358 58.100 -0.116 0.000 1.040 90 Y CB 1.913 40.383 38.460 0.016 0.000 1.228 90 Y HN 0.960 nan 8.280 nan 0.000 0.451 91 G N 4.283 112.675 108.800 -0.680 0.000 2.373 91 G HA2 0.078 4.038 3.960 0.000 0.000 0.250 91 G HA3 0.078 4.038 3.960 0.000 0.000 0.250 91 G C -1.760 172.992 174.900 -0.246 0.000 1.304 91 G CA -1.201 43.648 45.100 -0.417 0.000 0.948 91 G HN 0.739 nan 8.290 nan 0.000 0.474 92 R N 0.774 121.262 120.500 -0.020 0.000 2.298 92 R HA 0.600 4.940 4.340 0.000 0.000 0.310 92 R C -0.330 176.076 176.300 0.177 0.000 1.068 92 R CA -0.197 55.928 56.100 0.041 0.000 0.957 92 R CB 0.496 30.822 30.300 0.044 0.000 1.003 92 R HN 0.646 nan 8.270 nan 0.000 0.454 93 N N 2.190 121.015 118.700 0.207 0.000 3.449 93 N HA 0.169 4.909 4.740 0.000 0.000 0.312 93 N C -1.876 173.600 175.510 -0.057 0.000 1.557 93 N CA -0.641 52.468 53.050 0.098 0.000 0.864 93 N CB 0.568 39.013 38.487 -0.070 0.000 1.799 93 N HN 0.363 nan 8.380 nan 0.000 0.554 94 Y N 0.683 120.878 120.300 -0.175 0.000 2.327 94 Y HA 0.451 5.001 4.550 0.000 0.000 0.336 94 Y C 1.453 176.948 175.900 -0.674 0.000 1.035 94 Y CA -0.130 57.794 58.100 -0.294 0.000 1.165 94 Y CB 0.927 39.283 38.460 -0.174 0.000 1.181 94 Y HN 0.484 nan 8.280 nan 0.000 0.494 95 G N 1.679 110.114 108.800 -0.609 0.000 2.491 95 G HA2 0.109 4.069 3.960 0.000 0.000 0.238 95 G HA3 0.109 4.069 3.960 0.000 0.000 0.238 95 G C 0.944 175.657 174.900 -0.312 0.000 1.277 95 G CA -0.445 44.217 45.100 -0.730 0.000 0.851 95 G HN 0.708 nan 8.290 nan 0.000 0.573 96 V N 2.654 122.388 119.914 -0.300 0.000 2.594 96 V HA -0.180 3.940 4.120 0.000 0.000 0.253 96 V C 2.907 178.924 176.094 -0.129 0.000 1.069 96 V CA 1.959 64.157 62.300 -0.170 0.000 1.082 96 V CB -0.343 31.399 31.823 -0.134 0.000 0.680 96 V HN 0.536 nan 8.190 nan 0.000 0.469 97 V N -0.642 119.198 119.914 -0.123 0.000 2.317 97 V HA -0.336 3.784 4.120 0.000 0.000 0.251 97 V C 2.210 178.206 176.094 -0.163 0.000 1.065 97 V CA 2.717 64.933 62.300 -0.140 0.000 1.049 97 V CB -1.045 30.698 31.823 -0.132 0.000 0.651 97 V HN 0.747 nan 8.190 nan 0.000 0.450 98 Y N 1.337 121.489 120.300 -0.247 0.000 2.569 98 Y HA -0.191 4.359 4.550 0.000 0.000 0.293 98 Y C 2.109 177.863 175.900 -0.243 0.000 1.144 98 Y CA 1.227 59.186 58.100 -0.235 0.000 1.321 98 Y CB -0.397 38.002 38.460 -0.102 0.000 0.982 98 Y HN 0.378 nan 8.280 nan 0.000 0.558 99 D N -1.045 119.223 120.400 -0.221 0.000 2.221 99 D HA -0.154 4.486 4.640 0.000 0.000 0.204 99 D C 2.021 177.997 176.300 -0.540 0.000 0.982 99 D CA 1.469 55.306 54.000 -0.271 0.000 0.857 99 D CB 0.034 40.735 40.800 -0.165 0.000 0.934 99 D HN 0.330 nan 8.370 nan 0.000 0.475 100 V N 0.016 119.540 119.914 -0.651 0.000 2.806 100 V HA -0.077 4.043 4.120 0.000 0.000 0.239 100 V C 2.508 178.114 176.094 -0.813 0.000 1.113 100 V CA 1.328 62.993 62.300 -1.057 0.000 1.137 100 V CB -0.290 31.084 31.823 -0.748 0.000 0.865 100 V HN 0.229 nan 8.190 nan 0.000 0.482 101 T N -0.081 114.170 114.554 -0.506 0.000 2.881 101 T HA -0.197 4.153 4.350 0.000 0.000 0.270 101 T C 1.996 176.501 174.700 -0.325 0.000 1.068 101 T CA 1.724 63.638 62.100 -0.310 0.000 1.131 101 T CB -0.620 68.105 68.868 -0.237 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.260 115.526 115.700 -0.724 0.000 2.419 102 S HA -0.150 4.321 4.470 0.000 0.000 0.235 102 S C 1.650 176.196 174.600 -0.089 0.000 1.019 102 S CA 0.748 58.488 58.200 -0.766 0.000 0.982 102 S CB -1.095 61.397 63.200 -1.180 0.000 0.789 102 S HN 0.681 nan 8.310 nan 0.000 0.490 103 W N 2.918 124.113 121.300 -0.174 0.000 2.364 103 W HA 0.042 4.702 4.660 0.000 0.000 0.281 103 W C 2.540 179.122 176.519 0.105 0.000 1.219 103 W CA 1.343 58.690 57.345 0.003 0.000 1.220 103 W CB -1.612 27.846 29.460 -0.003 0.000 1.127 103 W HN 0.637 nan 8.180 nan 0.000 0.556 104 T N -4.106 110.591 114.554 0.239 0.000 3.040 104 T HA 0.019 4.369 4.350 0.000 0.000 0.250 104 T C 0.569 175.344 174.700 0.126 0.000 1.058 104 T CA 0.123 62.325 62.100 0.170 0.000 0.988 104 T CB 0.022 68.935 68.868 0.075 0.000 0.993 104 T HN -0.212 nan 8.240 nan 0.000 0.519 105 D N 2.693 123.163 120.400 0.118 0.000 2.934 105 D HA 0.164 4.804 4.640 0.000 0.000 0.237 105 D C 0.960 177.302 176.300 0.070 0.000 1.158 105 D CA -0.235 53.843 54.000 0.129 0.000 0.971 105 D CB -0.089 40.847 40.800 0.227 0.000 1.123 105 D HN 0.404 nan 8.370 nan 0.000 0.467 106 V N -0.890 119.042 119.914 0.029 0.000 3.199 106 V HA 0.336 4.456 4.120 0.000 0.000 0.331 106 V C 0.490 176.553 176.094 -0.051 0.000 1.446 106 V CA -0.565 61.699 62.300 -0.060 0.000 1.120 106 V CB -0.686 31.016 31.823 -0.202 0.000 1.051 106 V HN 0.023 nan 8.190 nan 0.000 0.495 107 L N 0.589 121.809 121.223 -0.006 0.000 2.466 107 L HA 0.394 4.734 4.340 0.000 0.000 0.257 107 L C -0.906 175.884 176.870 -0.132 0.000 1.189 107 L CA -1.424 53.406 54.840 -0.017 0.000 0.813 107 L CB 0.408 42.508 42.059 0.068 0.000 1.118 107 L HN 0.031 nan 8.230 nan 0.000 0.471 108 P HA -0.167 nan 4.420 nan 0.000 0.215 108 P C 0.833 177.710 177.300 -0.706 0.000 1.153 108 P CA 1.186 63.929 63.100 -0.595 0.000 0.853 108 P CB 0.400 31.679 31.700 -0.702 0.000 0.788 109 E N -3.128 116.761 120.200 -0.518 0.000 2.684 109 E HA 0.140 4.490 4.350 0.000 0.000 0.204 109 E C 0.636 176.997 176.600 -0.398 0.000 0.900 109 E CA 0.051 56.172 56.400 -0.465 0.000 1.481 109 E CB -0.320 29.044 29.700 -0.561 0.000 1.468 109 E HN -0.113 nan 8.360 nan 0.000 0.778 110 F N 0.950 120.901 119.950 0.002 0.000 2.139 110 F HA 0.637 5.164 4.527 0.000 0.000 0.273 110 F C 1.546 177.391 175.800 0.074 0.000 1.058 110 F CA 0.441 58.451 58.000 0.016 0.000 1.149 110 F CB -0.368 38.596 39.000 -0.060 0.000 1.739 110 F HN 0.184 nan 8.300 nan 0.000 0.536 111 G N -1.131 107.906 108.800 0.395 0.000 2.795 111 G HA2 0.390 4.350 3.960 0.000 0.000 0.664 111 G HA3 0.390 4.350 3.960 0.000 0.000 0.664 111 G C 0.463 175.434 174.900 0.118 0.000 1.381 111 G CA -0.256 44.990 45.100 0.243 0.000 0.853 111 G HN 1.877 nan 8.290 nan 0.000 0.545 112 G N -0.843 107.984 108.800 0.044 0.000 2.179 112 G HA2 0.035 3.995 3.960 0.000 0.000 0.257 112 G HA3 0.035 3.995 3.960 0.000 0.000 0.257 112 G C 0.499 175.115 174.900 -0.474 0.000 1.010 112 G CA 1.371 46.434 45.100 -0.062 0.000 0.736 112 G HN 2.328 nan 8.290 nan 0.000 0.513 113 D N -0.783 119.428 120.400 -0.314 0.000 2.650 113 D HA 0.146 4.786 4.640 0.000 0.000 0.265 113 D C 1.475 177.639 176.300 -0.227 0.000 1.339 113 D CA 0.549 54.368 54.000 -0.302 0.000 0.816 113 D CB -0.689 40.072 40.800 -0.064 0.000 1.091 113 D HN 0.430 nan 8.370 nan 0.000 0.483 114 T N -2.226 112.179 114.554 -0.248 0.000 3.194 114 T HA 0.209 4.559 4.350 0.000 0.000 0.251 114 T C 0.270 175.034 174.700 0.107 0.000 1.132 114 T CA 0.045 62.125 62.100 -0.034 0.000 1.028 114 T CB -0.888 68.009 68.868 0.048 0.000 0.976 114 T HN 0.376 nan 8.240 nan 0.000 0.535 115 Y N -2.229 118.108 120.300 0.061 0.000 2.764 115 Y HA 0.776 5.326 4.550 0.000 0.000 0.331 115 Y C -1.452 174.483 175.900 0.058 0.000 1.280 115 Y CA -1.815 56.332 58.100 0.079 0.000 1.065 115 Y CB 0.659 39.180 38.460 0.101 0.000 1.319 115 Y HN -0.109 nan 8.280 nan 0.000 0.453 116 D N -0.107 120.448 120.400 0.258 0.000 2.531 116 D HA 0.404 5.044 4.640 0.000 0.000 0.244 116 D C -1.055 175.331 176.300 0.144 0.000 1.090 116 D CA -0.736 53.325 54.000 0.102 0.000 0.989 116 D CB 2.351 43.168 40.800 0.027 0.000 1.433 116 D HN 0.562 nan 8.370 nan 0.000 0.492 117 S N 0.365 116.078 115.700 0.022 0.000 2.572 117 S HA 0.036 4.506 4.470 0.000 0.000 0.279 117 S C 0.079 174.656 174.600 -0.038 0.000 1.341 117 S CA -0.123 58.058 58.200 -0.032 0.000 1.043 117 S CB 0.246 63.374 63.200 -0.120 0.000 0.887 117 S HN 0.446 nan 8.310 nan 0.000 0.516 118 D N 1.268 121.641 120.400 -0.046 0.000 2.689 118 D HA -0.194 4.446 4.640 0.000 0.000 0.237 118 D C -0.251 176.000 176.300 -0.082 0.000 1.148 118 D CA 0.643 54.597 54.000 -0.076 0.000 0.656 118 D CB -1.227 39.513 40.800 -0.100 0.000 1.050 118 D HN 0.713 nan 8.370 nan 0.000 0.426 119 N N 0.337 119.026 118.700 -0.020 0.000 2.765 119 N HA 0.237 4.977 4.740 0.000 0.000 0.277 119 N C 0.396 175.979 175.510 0.122 0.000 1.750 119 N CA -0.448 52.619 53.050 0.028 0.000 0.827 119 N CB 0.432 39.031 38.487 0.187 0.000 1.200 119 N HN -0.064 nan 8.380 nan 0.000 0.494 120 F N -0.054 119.968 119.950 0.120 0.000 2.169 120 F HA -0.407 4.120 4.527 0.000 0.000 0.314 120 F C 1.273 177.177 175.800 0.174 0.000 0.318 120 F CA 1.160 59.216 58.000 0.095 0.000 0.904 120 F CB -0.590 38.443 39.000 0.055 0.000 4.078 120 F HN 0.283 nan 8.300 nan 0.000 0.173 121 M N 0.246 120.079 119.600 0.389 0.000 2.549 121 M HA 0.133 4.614 4.480 0.000 0.000 0.273 121 M C 1.036 177.412 176.300 0.127 0.000 1.213 121 M CA 0.302 55.802 55.300 0.335 0.000 0.976 121 M CB 0.150 32.905 32.600 0.259 0.000 1.457 121 M HN 0.436 nan 8.290 nan 0.000 0.485 122 Q N 0.078 119.955 119.800 0.129 0.000 2.212 122 Q HA 0.054 4.394 4.340 0.000 0.000 0.199 122 Q C 1.384 177.328 176.000 -0.093 0.000 0.950 122 Q CA 0.890 56.682 55.803 -0.019 0.000 0.863 122 Q CB 0.634 29.391 28.738 0.031 0.000 0.944 122 Q HN 0.540 nan 8.270 nan 0.000 0.465 123 Q N -0.750 119.061 119.800 0.018 0.000 2.860 123 Q HA 0.282 4.622 4.340 0.000 0.000 0.401 123 Q C -0.840 175.109 176.000 -0.085 0.000 0.669 123 Q CA -0.615 55.159 55.803 -0.049 0.000 0.916 123 Q CB 1.119 29.894 28.738 0.062 0.000 1.310 123 Q HN 0.011 nan 8.270 nan 0.000 0.394 124 R N -0.423 119.925 120.500 -0.253 0.000 2.643 124 R HA 0.499 4.839 4.340 0.000 0.000 0.270 124 R C -0.022 176.282 176.300 0.007 0.000 1.061 124 R CA 0.672 56.590 56.100 -0.303 0.000 1.107 124 R CB 0.532 30.559 30.300 -0.454 0.000 0.999 124 R HN 0.628 nan 8.270 nan 0.000 0.460 125 G N 1.045 109.927 108.800 0.137 0.000 2.523 125 G HA2 0.150 4.110 3.960 0.000 0.000 0.291 125 G HA3 0.150 4.110 3.960 0.000 0.000 0.291 125 G C -1.575 173.175 174.900 -0.249 0.000 1.450 125 G CA -1.017 44.059 45.100 -0.040 0.000 0.790 125 G HN 0.596 nan 8.290 nan 0.000 0.496 126 N N -0.309 118.179 118.700 -0.352 0.000 2.518 126 N HA 0.472 5.212 4.740 0.000 0.000 0.283 126 N C 0.824 176.042 175.510 -0.487 0.000 1.119 126 N CA 0.659 53.519 53.050 -0.318 0.000 0.983 126 N CB 1.425 39.804 38.487 -0.181 0.000 1.139 126 N HN 1.568 nan 8.380 nan 0.000 0.465 127 G N 0.939 109.499 108.800 -0.400 0.000 2.256 127 G HA2 -0.260 3.701 3.960 0.000 0.000 0.272 127 G HA3 -0.260 3.701 3.960 0.000 0.000 0.272 127 G C -0.732 174.022 174.900 -0.243 0.000 1.076 127 G CA -0.472 44.437 45.100 -0.318 0.000 0.882 127 G HN 0.395 nan 8.290 nan 0.000 0.497 128 F N 0.732 120.576 119.950 -0.177 0.000 2.424 128 F HA 0.616 5.144 4.527 0.000 0.000 0.356 128 F C 0.789 176.605 175.800 0.028 0.000 1.110 128 F CA -0.509 57.466 58.000 -0.041 0.000 1.161 128 F CB 1.705 40.650 39.000 -0.092 0.000 1.115 128 F HN 0.408 nan 8.300 nan 0.000 0.507 129 A N 3.055 126.156 122.820 0.467 0.000 2.253 129 A HA 0.670 4.990 4.320 0.000 0.000 0.316 129 A C -0.347 177.419 177.584 0.304 0.000 1.327 129 A CA -0.402 51.893 52.037 0.431 0.000 0.917 129 A CB 0.003 19.389 19.000 0.643 0.000 1.162 129 A HN 0.676 nan 8.150 nan 0.000 0.535 130 T N 2.458 117.010 114.554 -0.004 0.000 2.809 130 T HA 0.421 4.771 4.350 0.000 0.000 0.284 130 T C -0.970 173.792 174.700 0.104 0.000 0.992 130 T CA -0.131 61.989 62.100 0.034 0.000 0.957 130 T CB 0.654 69.449 68.868 -0.121 0.000 0.942 130 T HN 0.512 nan 8.240 nan 0.000 0.439 131 Y N 3.417 123.815 120.300 0.163 0.000 2.342 131 Y HA 0.649 5.200 4.550 0.000 0.000 0.334 131 Y C -0.038 175.859 175.900 -0.006 0.000 1.067 131 Y CA -0.918 57.285 58.100 0.171 0.000 1.128 131 Y CB 0.836 39.438 38.460 0.237 0.000 1.200 131 Y HN 0.521 nan 8.280 nan 0.000 0.464 132 R N 4.395 124.364 120.500 -0.885 0.000 2.673 132 R HA 0.332 4.672 4.340 0.000 0.000 0.281 132 R C -1.624 174.030 176.300 -1.076 0.000 0.991 132 R CA -1.155 54.497 56.100 -0.746 0.000 0.896 132 R CB 1.781 31.843 30.300 -0.397 0.000 1.201 132 R HN 0.628 nan 8.270 nan 0.000 0.457 133 N N 1.418 119.546 118.700 -0.953 0.000 2.399 133 N HA 0.223 4.963 4.740 0.000 0.000 0.284 133 N C -1.542 173.661 175.510 -0.511 0.000 1.025 133 N CA -0.241 52.291 53.050 -0.863 0.000 0.885 133 N CB 2.160 39.907 38.487 -1.232 0.000 1.339 133 N HN 0.650 nan 8.380 nan 0.000 0.487 134 T N 0.123 114.490 114.554 -0.311 0.000 2.797 134 T HA 0.390 4.740 4.350 0.000 0.000 0.279 134 T C -0.259 174.422 174.700 -0.031 0.000 0.991 134 T CA -0.442 61.581 62.100 -0.129 0.000 0.979 134 T CB 1.004 69.802 68.868 -0.117 0.000 0.943 134 T HN 0.478 nan 8.240 nan 0.000 0.444 135 D N 0.650 121.100 120.400 0.084 0.000 2.945 135 D HA -0.207 4.433 4.640 0.000 0.000 0.225 135 D C 0.052 176.530 176.300 0.296 0.000 1.158 135 D CA 0.896 54.999 54.000 0.172 0.000 0.805 135 D CB -1.787 39.080 40.800 0.111 0.000 1.098 135 D HN 0.884 nan 8.370 nan 0.000 0.426 136 F N -0.094 119.940 119.950 0.141 0.000 2.384 136 F HA -0.330 4.197 4.527 0.000 0.000 0.199 136 F C 0.376 176.383 175.800 0.346 0.000 1.027 136 F CA 0.929 59.089 58.000 0.267 0.000 0.870 136 F CB -1.555 37.661 39.000 0.360 0.000 0.895 136 F HN 0.162 nan 8.300 nan 0.000 0.818 137 F N 1.137 121.070 119.950 -0.028 0.000 3.100 137 F HA -0.239 4.288 4.527 0.000 0.000 0.284 137 F C 1.590 177.427 175.800 0.061 0.000 0.875 137 F CA 1.468 59.453 58.000 -0.025 0.000 1.039 137 F CB -1.531 37.395 39.000 -0.122 0.000 1.111 137 F HN 1.151 nan 8.300 nan 0.000 0.575 138 G N -0.742 108.172 108.800 0.191 0.000 2.162 138 G HA2 -0.342 3.618 3.960 0.000 0.000 0.260 138 G HA3 -0.342 3.618 3.960 0.000 0.000 0.260 138 G C 0.804 175.824 174.900 0.200 0.000 0.976 138 G CA 0.372 45.570 45.100 0.162 0.000 0.655 138 G HN 0.547 nan 8.290 nan 0.000 0.533 139 L N -0.830 120.569 121.223 0.294 0.000 2.408 139 L HA 0.300 4.640 4.340 0.000 0.000 0.215 139 L C 0.640 177.662 176.870 0.253 0.000 1.081 139 L CA 0.570 55.582 54.840 0.287 0.000 0.840 139 L CB 0.462 42.756 42.059 0.391 0.000 1.002 139 L HN 0.123 nan 8.230 nan 0.000 0.468 140 V N 0.248 120.341 119.914 0.297 0.000 2.385 140 V HA 0.217 4.337 4.120 0.000 0.000 0.277 140 V C -0.929 175.317 176.094 0.253 0.000 1.012 140 V CA -0.989 61.453 62.300 0.237 0.000 0.832 140 V CB 1.268 33.202 31.823 0.186 0.000 1.028 140 V HN 0.039 nan 8.190 nan 0.000 0.436 141 D N 3.959 124.486 120.400 0.212 0.000 2.472 141 D HA 0.349 4.989 4.640 0.000 0.000 0.248 141 D C 1.299 177.716 176.300 0.195 0.000 1.174 141 D CA 1.892 55.998 54.000 0.177 0.000 0.883 141 D CB 1.395 42.282 40.800 0.145 0.000 1.149 141 D HN 0.967 nan 8.370 nan 0.000 0.488 142 G N 1.886 110.763 108.800 0.129 0.000 2.194 142 G HA2 -0.265 3.695 3.960 0.000 0.000 0.236 142 G HA3 -0.265 3.695 3.960 0.000 0.000 0.236 142 G C 0.129 175.130 174.900 0.170 0.000 0.987 142 G CA -0.238 44.884 45.100 0.037 0.000 0.635 142 G HN 0.470 nan 8.290 nan 0.000 0.520 143 L N 2.544 123.964 121.223 0.329 0.000 2.268 143 L HA 0.698 5.038 4.340 0.000 0.000 0.289 143 L C -0.918 176.154 176.870 0.336 0.000 1.064 143 L CA -0.983 54.097 54.840 0.399 0.000 0.824 143 L CB 0.841 43.122 42.059 0.369 0.000 1.202 143 L HN 0.112 nan 8.230 nan 0.000 0.433 144 D N 5.039 125.614 120.400 0.291 0.000 2.342 144 D HA 0.650 5.290 4.640 0.000 0.000 0.243 144 D C -0.766 175.729 176.300 0.325 0.000 1.019 144 D CA 0.238 54.363 54.000 0.208 0.000 0.864 144 D CB 1.823 42.680 40.800 0.095 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.054 118.956 119.950 0.100 0.000 2.686 145 F HA 0.840 5.367 4.527 0.000 0.000 0.311 145 F C -1.891 173.955 175.800 0.077 0.000 1.128 145 F CA -1.203 56.861 58.000 0.106 0.000 0.946 145 F CB 1.292 40.395 39.000 0.172 0.000 1.336 145 F HN 0.375 nan 8.300 nan 0.000 0.457 146 A N 1.634 124.597 122.820 0.239 0.000 2.455 146 A HA 0.772 5.092 4.320 0.000 0.000 0.300 146 A C -2.083 175.647 177.584 0.244 0.000 1.040 146 A CA -0.827 51.284 52.037 0.123 0.000 0.697 146 A CB 1.664 20.666 19.000 0.004 0.000 1.265 146 A HN 0.947 nan 8.150 nan 0.000 0.407 147 V N 1.945 122.024 119.914 0.276 0.000 2.495 147 V HA 0.650 4.770 4.120 0.000 0.000 0.298 147 V C -0.126 176.015 176.094 0.078 0.000 1.031 147 V CA -0.371 62.021 62.300 0.154 0.000 0.871 147 V CB 1.547 33.483 31.823 0.188 0.000 0.988 147 V HN 0.957 nan 8.190 nan 0.000 0.432 148 Q N 2.808 122.548 119.800 -0.101 0.000 2.331 148 Q HA 0.579 4.919 4.340 0.000 0.000 0.272 148 Q C -2.172 173.710 176.000 -0.197 0.000 1.062 148 Q CA -0.640 55.140 55.803 -0.038 0.000 0.806 148 Q CB 2.529 31.251 28.738 -0.027 0.000 1.312 148 Q HN 0.725 nan 8.270 nan 0.000 0.431 149 Y N 1.035 121.479 120.300 0.239 0.000 2.393 149 Y HA 0.368 4.919 4.550 0.000 0.000 0.341 149 Y C -0.365 175.707 175.900 0.287 0.000 0.988 149 Y CA -0.719 57.519 58.100 0.230 0.000 1.078 149 Y CB 2.079 40.660 38.460 0.202 0.000 1.203 149 Y HN 0.495 nan 8.280 nan 0.000 0.453 150 Q N 1.954 121.970 119.800 0.360 0.000 2.325 150 Q HA 0.582 4.922 4.340 0.000 0.000 0.270 150 Q C -0.373 175.706 176.000 0.132 0.000 1.020 150 Q CA -0.805 55.108 55.803 0.182 0.000 0.785 150 Q CB 1.545 30.313 28.738 0.050 0.000 1.259 150 Q HN 0.981 nan 8.270 nan 0.000 0.452 151 G N 2.942 111.805 108.800 0.104 0.000 2.467 151 G HA2 0.095 4.055 3.960 0.000 0.000 0.257 151 G HA3 0.095 4.055 3.960 0.000 0.000 0.257 151 G C -0.617 174.305 174.900 0.036 0.000 1.227 151 G CA -0.483 44.672 45.100 0.093 0.000 0.835 151 G HN 0.736 nan 8.290 nan 0.000 0.556 152 K N 1.287 121.715 120.400 0.047 0.000 2.513 152 K HA -0.088 4.232 4.320 0.000 0.000 0.275 152 K C -0.461 176.143 176.600 0.006 0.000 1.025 152 K CA 0.483 56.789 56.287 0.032 0.000 1.125 152 K CB 0.039 32.562 32.500 0.040 0.000 0.843 152 K HN 0.448 nan 8.250 nan 0.000 0.486 153 N N 3.163 121.853 118.700 -0.016 0.000 2.518 153 N HA 0.232 4.973 4.740 0.000 0.000 0.254 153 N C -0.230 175.268 175.510 -0.019 0.000 0.979 153 N CA -0.350 52.681 53.050 -0.033 0.000 0.930 153 N CB 1.943 40.386 38.487 -0.074 0.000 1.152 153 N HN 0.749 nan 8.380 nan 0.000 0.505 154 G N 0.327 109.123 108.800 -0.007 0.000 3.008 154 G HA2 0.430 4.390 3.960 0.000 0.000 0.181 154 G HA3 0.430 4.390 3.960 0.000 0.000 0.181 154 G C -0.144 174.758 174.900 0.004 0.000 1.309 154 G CA -0.355 44.752 45.100 0.011 0.000 1.009 154 G HN 0.413 nan 8.290 nan 0.000 0.584 155 S N -1.011 114.700 115.700 0.018 0.000 2.632 155 S HA 0.507 4.977 4.470 0.000 0.000 0.267 155 S C 1.248 175.817 174.600 -0.052 0.000 1.276 155 S CA 0.220 58.427 58.200 0.012 0.000 0.998 155 S CB 1.575 64.811 63.200 0.060 0.000 0.953 155 S HN 1.180 nan 8.310 nan 0.000 0.547 156 A N 0.020 122.774 122.820 -0.109 0.000 2.119 156 A HA 0.168 4.489 4.320 0.000 0.000 0.216 156 A C 0.640 177.851 177.584 -0.621 0.000 1.152 156 A CA 0.534 52.360 52.037 -0.352 0.000 0.708 156 A CB -0.504 18.250 19.000 -0.410 0.000 0.805 156 A HN 0.845 nan 8.150 nan 0.000 0.460 157 H N -2.362 116.719 119.070 0.019 0.000 2.930 157 H HA 0.470 5.026 4.556 0.000 0.000 0.371 157 H C 0.763 176.096 175.328 0.008 0.000 1.169 157 H CA -0.187 55.868 56.048 0.013 0.000 1.157 157 H CB 1.066 30.837 29.762 0.015 0.000 1.789 157 H HN 0.585 nan 8.280 nan 0.000 0.547 158 G N 2.109 110.978 108.800 0.116 0.000 2.539 158 G HA2 -0.262 3.698 3.960 0.000 0.000 0.256 158 G HA3 -0.262 3.698 3.960 0.000 0.000 0.256 158 G C -0.336 174.560 174.900 -0.007 0.000 1.233 158 G CA -0.148 44.975 45.100 0.040 0.000 0.936 158 G HN 0.645 nan 8.290 nan 0.000 0.571 159 E N 1.167 121.332 120.200 -0.059 0.000 2.413 159 E HA 0.389 4.739 4.350 0.000 0.000 0.263 159 E C 1.198 177.776 176.600 -0.037 0.000 1.015 159 E CA 1.180 57.520 56.400 -0.101 0.000 0.916 159 E CB 0.301 29.849 29.700 -0.254 0.000 0.947 159 E HN 2.209 nan 8.360 nan 0.000 0.440 160 G N 2.871 111.658 108.800 -0.022 0.000 2.143 160 G HA2 -0.354 3.606 3.960 0.000 0.000 0.248 160 G HA3 -0.354 3.606 3.960 0.000 0.000 0.248 160 G C 0.214 175.126 174.900 0.021 0.000 0.991 160 G CA 0.313 45.427 45.100 0.023 0.000 0.689 160 G HN 0.514 nan 8.290 nan 0.000 0.522 161 M N 2.157 121.759 119.600 0.003 0.000 2.239 161 M HA 0.491 4.971 4.480 0.000 0.000 0.348 161 M C 0.991 177.284 176.300 -0.010 0.000 1.239 161 M CA 0.940 56.234 55.300 -0.010 0.000 1.114 161 M CB 0.517 33.106 32.600 -0.018 0.000 1.641 161 M HN 0.542 nan 8.290 nan 0.000 0.453 162 T N 0.213 114.756 114.554 -0.017 0.000 2.942 162 T HA 0.269 4.619 4.350 0.000 0.000 0.289 162 T C 0.704 175.390 174.700 -0.023 0.000 1.044 162 T CA -0.468 61.625 62.100 -0.012 0.000 1.023 162 T CB 1.548 70.414 68.868 -0.004 0.000 1.123 162 T HN 0.722 nan 8.240 nan 0.000 0.512 163 T N 0.906 115.453 114.554 -0.012 0.000 2.803 163 T HA -0.130 4.221 4.350 0.000 0.000 0.269 163 T C 1.218 175.908 174.700 -0.017 0.000 1.052 163 T CA 1.804 63.897 62.100 -0.012 0.000 1.136 163 T CB -0.855 68.015 68.868 0.003 0.000 0.864 163 T HN 0.795 nan 8.240 nan 0.000 0.467 164 N N 0.676 119.368 118.700 -0.013 0.000 2.453 164 N HA 0.241 4.981 4.740 0.000 0.000 0.270 164 N C 0.477 175.968 175.510 -0.032 0.000 1.195 164 N CA -0.266 52.775 53.050 -0.016 0.000 0.902 164 N CB -0.355 38.129 38.487 -0.005 0.000 1.186 164 N HN 0.319 nan 8.380 nan 0.000 0.510 165 G N 1.186 109.957 108.800 -0.048 0.000 2.554 165 G HA2 0.273 4.233 3.960 0.000 0.000 0.238 165 G HA3 0.273 4.233 3.960 0.000 0.000 0.238 165 G C 0.089 174.956 174.900 -0.054 0.000 1.259 165 G CA -0.435 44.632 45.100 -0.055 0.000 0.843 165 G HN 0.531 nan 8.290 nan 0.000 0.582 166 R N 1.288 121.767 120.500 -0.036 0.000 2.621 166 R HA 0.341 4.681 4.340 0.000 0.000 0.284 166 R C -1.124 175.177 176.300 0.001 0.000 0.998 166 R CA -0.944 55.143 56.100 -0.022 0.000 0.895 166 R CB 1.473 31.759 30.300 -0.023 0.000 1.195 166 R HN 0.344 nan 8.270 nan 0.000 0.450 167 D N 0.220 120.632 120.400 0.019 0.000 2.323 167 D HA -0.062 4.578 4.640 0.000 0.000 0.209 167 D C -0.354 175.970 176.300 0.040 0.000 0.973 167 D CA 0.940 54.969 54.000 0.048 0.000 0.874 167 D CB 0.238 41.086 40.800 0.080 0.000 0.930 167 D HN 0.518 nan 8.370 nan 0.000 0.521 168 D N 0.842 121.260 120.400 0.031 0.000 2.342 168 D HA -0.029 4.612 4.640 0.000 0.000 0.260 168 D C 1.400 177.721 176.300 0.034 0.000 1.278 168 D CA -0.116 53.911 54.000 0.045 0.000 0.910 168 D CB 1.277 42.108 40.800 0.053 0.000 1.079 168 D HN -0.227 nan 8.370 nan 0.000 0.496 169 V N 4.485 124.392 119.914 -0.012 0.000 2.469 169 V HA -0.267 3.853 4.120 0.000 0.000 0.251 169 V C 1.762 177.842 176.094 -0.023 0.000 1.064 169 V CA 1.415 63.683 62.300 -0.053 0.000 1.066 169 V CB -0.605 31.124 31.823 -0.157 0.000 0.667 169 V HN 0.549 nan 8.190 nan 0.000 0.461 170 F N 0.164 120.161 119.950 0.079 0.000 2.604 170 F HA -0.029 4.498 4.527 0.000 0.000 0.298 170 F C 2.092 177.894 175.800 0.003 0.000 1.131 170 F CA 0.972 59.017 58.000 0.076 0.000 1.457 170 F CB -0.209 38.721 39.000 -0.117 0.000 1.095 170 F HN 0.268 nan 8.300 nan 0.000 0.574 171 E N -0.842 119.413 120.200 0.091 0.000 2.501 171 E HA 0.078 4.428 4.350 0.000 0.000 0.201 171 E C 0.414 176.959 176.600 -0.091 0.000 1.016 171 E CA -0.114 56.270 56.400 -0.026 0.000 0.920 171 E CB 0.263 29.946 29.700 -0.027 0.000 1.023 171 E HN 0.434 nan 8.360 nan 0.000 0.474 172 Q N 1.368 121.116 119.800 -0.086 0.000 2.199 172 Q HA 0.318 4.658 4.340 0.000 0.000 0.232 172 Q C -0.140 175.749 176.000 -0.186 0.000 0.969 172 Q CA -0.488 55.261 55.803 -0.090 0.000 0.925 172 Q CB 1.091 29.820 28.738 -0.016 0.000 1.198 172 Q HN 0.128 nan 8.270 nan 0.000 0.494 173 N N -1.270 117.382 118.700 -0.081 0.000 2.859 173 N HA 0.321 5.061 4.740 0.000 0.000 0.250 173 N C -0.984 174.575 175.510 0.082 0.000 1.341 173 N CA -0.602 52.464 53.050 0.026 0.000 0.881 173 N CB 1.029 39.515 38.487 -0.000 0.000 1.516 173 N HN 0.620 nan 8.380 nan 0.000 0.503 174 G N -0.286 108.598 108.800 0.141 0.000 2.532 174 G HA2 0.263 4.223 3.960 0.000 0.000 0.291 174 G HA3 0.263 4.223 3.960 0.000 0.000 0.291 174 G C -0.537 174.422 174.900 0.100 0.000 1.349 174 G CA -0.353 44.806 45.100 0.097 0.000 1.038 174 G HN 0.606 nan 8.290 nan 0.000 0.518 175 D N -0.237 120.215 120.400 0.087 0.000 2.488 175 D HA 0.420 5.061 4.640 0.000 0.000 0.238 175 D C 0.591 176.960 176.300 0.115 0.000 1.138 175 D CA 0.931 54.994 54.000 0.104 0.000 0.873 175 D CB 1.193 42.051 40.800 0.097 0.000 1.183 175 D HN 0.547 nan 8.370 nan 0.000 0.458 176 G N -0.220 108.668 108.800 0.147 0.000 2.660 176 G HA2 0.614 4.574 3.960 0.000 0.000 0.294 176 G HA3 0.614 4.574 3.960 0.000 0.000 0.294 176 G C -1.311 173.674 174.900 0.141 0.000 1.369 176 G CA -0.543 44.635 45.100 0.130 0.000 0.912 176 G HN 0.331 nan 8.290 nan 0.000 0.479 177 V N -0.538 119.410 119.914 0.057 0.000 2.888 177 V HA 0.975 5.095 4.120 0.000 0.000 0.309 177 V C 0.380 176.430 176.094 -0.073 0.000 1.114 177 V CA -0.098 62.171 62.300 -0.052 0.000 0.940 177 V CB 1.746 33.532 31.823 -0.061 0.000 1.021 177 V HN 1.426 nan 8.190 nan 0.000 0.426 178 G N 0.750 109.476 108.800 -0.124 0.000 2.677 178 G HA2 0.817 4.777 3.960 0.000 0.000 0.291 178 G HA3 0.817 4.777 3.960 0.000 0.000 0.291 178 G C -0.830 174.021 174.900 -0.081 0.000 1.435 178 G CA -0.092 44.955 45.100 -0.089 0.000 0.826 178 G HN 1.190 nan 8.290 nan 0.000 0.491 179 G N -1.026 107.749 108.800 -0.043 0.000 2.690 179 G HA2 0.836 4.797 3.960 0.000 0.000 0.291 179 G HA3 0.836 4.797 3.960 0.000 0.000 0.291 179 G C -0.727 174.184 174.900 0.018 0.000 1.403 179 G CA 0.247 45.356 45.100 0.015 0.000 0.864 179 G HN 1.728 nan 8.290 nan 0.000 0.480 180 S N -0.637 115.105 115.700 0.070 0.000 2.541 180 S HA 0.802 5.273 4.470 0.000 0.000 0.271 180 S C -1.065 173.618 174.600 0.139 0.000 1.133 180 S CA -0.806 57.424 58.200 0.049 0.000 0.876 180 S CB 1.708 64.897 63.200 -0.018 0.000 1.105 180 S HN 0.789 nan 8.310 nan 0.000 0.470 181 I N 1.963 122.601 120.570 0.113 0.000 2.619 181 I HA 0.637 4.807 4.170 0.000 0.000 0.292 181 I C -0.753 175.462 176.117 0.163 0.000 1.100 181 I CA -0.704 60.704 61.300 0.180 0.000 1.043 181 I CB 2.484 40.567 38.000 0.139 0.000 1.239 181 I HN 0.955 nan 8.210 nan 0.000 0.420 182 T N 1.377 116.072 114.554 0.234 0.000 2.952 182 T HA 0.551 4.901 4.350 0.000 0.000 0.305 182 T C -1.496 173.413 174.700 0.350 0.000 1.064 182 T CA -0.770 61.510 62.100 0.300 0.000 1.008 182 T CB 2.106 71.178 68.868 0.340 0.000 1.078 182 T HN 0.477 nan 8.240 nan 0.000 0.459 183 Y N 2.446 122.881 120.300 0.225 0.000 2.338 183 Y HA 0.592 5.142 4.550 0.000 0.000 0.333 183 Y C -1.065 174.937 175.900 0.171 0.000 0.968 183 Y CA -1.212 56.991 58.100 0.171 0.000 1.123 183 Y CB 1.663 40.199 38.460 0.126 0.000 1.165 183 Y HN 0.799 nan 8.280 nan 0.000 0.452 184 N N 5.499 123.905 118.700 -0.490 0.000 2.354 184 N HA 0.237 4.977 4.740 0.000 0.000 0.287 184 N C -2.211 173.000 175.510 -0.498 0.000 1.016 184 N CA -0.461 52.367 53.050 -0.371 0.000 0.871 184 N CB 2.204 40.560 38.487 -0.218 0.000 1.299 184 N HN 0.671 nan 8.380 nan 0.000 0.482 185 Y N 1.527 121.589 120.300 -0.396 0.000 2.361 185 Y HA 0.115 4.665 4.550 0.000 0.000 0.328 185 Y C -0.090 175.819 175.900 0.015 0.000 1.044 185 Y CA -0.508 57.469 58.100 -0.206 0.000 1.085 185 Y CB 0.818 39.213 38.460 -0.108 0.000 1.194 185 Y HN 0.510 nan 8.280 nan 0.000 0.438 186 E N 4.355 124.247 120.200 -0.514 0.000 2.328 186 E HA -0.276 4.074 4.350 0.000 0.000 0.233 186 E C 1.074 177.564 176.600 -0.183 0.000 1.219 186 E CA 1.606 57.784 56.400 -0.369 0.000 0.717 186 E CB -1.305 28.146 29.700 -0.416 0.000 1.210 186 E HN 1.317 nan 8.360 nan 0.000 0.381 187 G N -1.221 107.412 108.800 -0.278 0.000 2.241 187 G HA2 -0.343 3.617 3.960 0.000 0.000 0.244 187 G HA3 -0.343 3.617 3.960 0.000 0.000 0.244 187 G C 0.141 174.722 174.900 -0.532 0.000 0.998 187 G CA 0.201 44.998 45.100 -0.506 0.000 0.621 187 G HN 0.231 nan 8.290 nan 0.000 0.519 188 F N 1.468 121.349 119.950 -0.115 0.000 2.384 188 F HA 0.590 5.117 4.527 0.000 0.000 0.338 188 F C 1.037 176.766 175.800 -0.117 0.000 1.103 188 F CA 0.412 58.404 58.000 -0.014 0.000 1.157 188 F CB 1.867 40.937 39.000 0.117 0.000 1.167 188 F HN 0.282 nan 8.300 nan 0.000 0.529 189 G N 3.633 112.453 108.800 0.033 0.000 2.687 189 G HA2 0.702 4.662 3.960 0.000 0.000 0.301 189 G HA3 0.702 4.662 3.960 0.000 0.000 0.301 189 G C -1.447 173.554 174.900 0.168 0.000 1.416 189 G CA -0.575 44.469 45.100 -0.093 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 1.002 121.785 120.570 0.355 0.000 2.646 190 I HA 0.872 5.042 4.170 0.000 0.000 0.299 190 I C 0.437 176.856 176.117 0.503 0.000 1.036 190 I CA -0.943 60.614 61.300 0.429 0.000 1.074 190 I CB 2.706 40.886 38.000 0.300 0.000 1.258 190 I HN 0.704 nan 8.210 nan 0.000 0.430 191 G N 2.815 111.814 108.800 0.331 0.000 2.673 191 G HA2 0.789 4.749 3.960 0.000 0.000 0.292 191 G HA3 0.789 4.749 3.960 0.000 0.000 0.292 191 G C -2.164 172.726 174.900 -0.016 0.000 1.450 191 G CA -0.514 44.649 45.100 0.104 0.000 0.837 191 G HN 0.882 nan 8.290 nan 0.000 0.505 192 A N -0.783 122.020 122.820 -0.028 0.000 2.549 192 A HA 1.079 5.399 4.320 0.000 0.000 0.297 192 A C -0.494 177.068 177.584 -0.037 0.000 1.061 192 A CA 0.015 52.044 52.037 -0.014 0.000 0.690 192 A CB 1.718 20.744 19.000 0.045 0.000 1.287 192 A HN 2.519 nan 8.150 nan 0.000 0.402 193 A N 0.541 123.339 122.820 -0.037 0.000 2.547 193 A HA 0.753 5.073 4.320 0.000 0.000 0.297 193 A C -1.413 176.145 177.584 -0.043 0.000 1.056 193 A CA -0.444 51.561 52.037 -0.053 0.000 0.688 193 A CB 1.432 20.363 19.000 -0.116 0.000 1.282 193 A HN 1.666 nan 8.150 nan 0.000 0.400 194 V N 1.388 121.264 119.914 -0.064 0.000 2.789 194 V HA 0.860 4.981 4.120 0.000 0.000 0.311 194 V C -0.012 175.983 176.094 -0.165 0.000 1.073 194 V CA -0.108 62.106 62.300 -0.143 0.000 0.921 194 V CB 2.071 33.855 31.823 -0.065 0.000 1.009 194 V HN 1.468 nan 8.190 nan 0.000 0.426 195 S N 1.642 117.192 115.700 -0.249 0.000 2.588 195 S HA 0.856 5.326 4.470 0.000 0.000 0.275 195 S C -0.846 173.627 174.600 -0.213 0.000 1.130 195 S CA -0.712 57.388 58.200 -0.168 0.000 0.855 195 S CB 2.108 65.250 63.200 -0.096 0.000 1.116 195 S HN 0.956 nan 8.310 nan 0.000 0.472 196 S N 0.948 116.571 115.700 -0.129 0.000 2.706 196 S HA 0.660 5.130 4.470 0.000 0.000 0.270 196 S C -1.409 173.147 174.600 -0.073 0.000 1.163 196 S CA -0.420 57.703 58.200 -0.127 0.000 1.042 196 S CB 0.799 63.942 63.200 -0.096 0.000 1.079 196 S HN 0.788 nan 8.310 nan 0.000 0.474 197 S N 3.749 119.376 115.700 -0.122 0.000 2.500 197 S HA 0.471 4.941 4.470 0.000 0.000 0.301 197 S C -0.527 174.008 174.600 -0.107 0.000 1.092 197 S CA -0.833 57.336 58.200 -0.051 0.000 1.030 197 S CB 1.583 64.819 63.200 0.061 0.000 1.031 197 S HN 0.740 nan 8.310 nan 0.000 0.483 198 K N 1.755 122.146 120.400 -0.015 0.000 2.382 198 K HA 0.208 4.528 4.320 0.000 0.000 0.275 198 K C -0.140 176.465 176.600 0.008 0.000 1.009 198 K CA -0.058 56.219 56.287 -0.017 0.000 0.970 198 K CB 0.495 33.010 32.500 0.024 0.000 0.934 198 K HN 0.501 nan 8.250 nan 0.000 0.479 199 R N 1.032 121.509 120.500 -0.039 0.000 2.457 199 R HA 0.143 4.483 4.340 0.000 0.000 0.284 199 R C 0.063 176.380 176.300 0.028 0.000 1.024 199 R CA -0.473 55.618 56.100 -0.014 0.000 1.025 199 R CB 1.372 31.574 30.300 -0.162 0.000 1.063 199 R HN 0.727 nan 8.270 nan 0.000 0.493 200 T N -2.110 112.476 114.554 0.053 0.000 2.816 200 T HA 0.036 4.386 4.350 0.000 0.000 0.282 200 T C 0.873 175.641 174.700 0.113 0.000 0.993 200 T CA -0.686 61.471 62.100 0.095 0.000 0.994 200 T CB 0.813 69.741 68.868 0.101 0.000 1.025 200 T HN 0.765 nan 8.240 nan 0.000 0.529 201 W N 0.924 122.227 121.300 0.006 0.000 2.355 201 W HA -0.047 4.613 4.660 0.000 0.000 0.309 201 W C 1.679 178.208 176.519 0.016 0.000 1.206 201 W CA 1.699 59.049 57.345 0.009 0.000 1.284 201 W CB -0.425 29.042 29.460 0.012 0.000 1.145 201 W HN 0.831 nan 8.180 nan 0.000 0.502 202 D N -0.365 120.192 120.400 0.261 0.000 2.123 202 D HA -0.249 4.391 4.640 0.000 0.000 0.196 202 D C 2.076 178.366 176.300 -0.018 0.000 0.992 202 D CA 1.772 55.850 54.000 0.130 0.000 0.833 202 D CB -0.574 40.321 40.800 0.158 0.000 0.954 202 D HN 0.348 nan 8.370 nan 0.000 0.455 203 Q N -0.402 119.400 119.800 0.003 0.000 2.167 203 Q HA -0.048 4.292 4.340 0.000 0.000 0.202 203 Q C 1.146 177.117 176.000 -0.048 0.000 0.970 203 Q CA 0.770 56.587 55.803 0.023 0.000 0.855 203 Q CB 0.120 28.800 28.738 -0.095 0.000 0.911 203 Q HN 0.226 nan 8.270 nan 0.000 0.438 204 N N -0.134 118.460 118.700 -0.177 0.000 2.280 204 N HA 0.033 4.773 4.740 0.000 0.000 0.192 204 N C 0.062 175.371 175.510 -0.335 0.000 1.109 204 N CA 0.385 53.302 53.050 -0.222 0.000 0.855 204 N CB 0.529 38.875 38.487 -0.234 0.000 0.974 204 N HN 0.191 nan 8.380 nan 0.000 0.482 205 N N -0.316 118.107 118.700 -0.462 0.000 2.377 205 N HA 0.055 4.795 4.740 0.000 0.000 0.259 205 N C -0.069 175.242 175.510 -0.332 0.000 1.332 205 N CA 0.231 52.919 53.050 -0.604 0.000 0.877 205 N CB 1.044 38.617 38.487 -1.524 0.000 1.299 205 N HN 0.120 nan 8.380 nan 0.000 0.501 206 T N -3.265 111.191 114.554 -0.163 0.000 3.266 206 T HA 0.319 4.669 4.350 0.000 0.000 0.278 206 T C 1.129 175.808 174.700 -0.036 0.000 1.010 206 T CA 0.118 62.176 62.100 -0.070 0.000 0.909 206 T CB 0.377 69.221 68.868 -0.040 0.000 1.122 206 T HN 0.178 nan 8.240 nan 0.000 0.536 207 G N 1.565 110.342 108.800 -0.038 0.000 2.160 207 G HA2 -0.226 3.734 3.960 0.000 0.000 0.251 207 G HA3 -0.226 3.734 3.960 0.000 0.000 0.251 207 G C -0.068 174.850 174.900 0.029 0.000 1.008 207 G CA 0.305 45.403 45.100 -0.003 0.000 0.724 207 G HN 0.671 nan 8.290 nan 0.000 0.514 208 L N 0.374 121.626 121.223 0.048 0.000 2.439 208 L HA 0.668 5.008 4.340 0.000 0.000 0.259 208 L C 1.621 178.583 176.870 0.154 0.000 1.129 208 L CA -1.262 53.631 54.840 0.087 0.000 0.803 208 L CB 0.806 42.891 42.059 0.044 0.000 1.161 208 L HN 0.344 nan 8.230 nan 0.000 0.462 209 I N -1.323 119.355 120.570 0.180 0.000 2.823 209 I HA 0.534 4.704 4.170 0.000 0.000 0.290 209 I C 0.907 177.218 176.117 0.322 0.000 1.091 209 I CA -0.227 61.203 61.300 0.216 0.000 1.365 209 I CB 0.729 38.861 38.000 0.220 0.000 1.427 209 I HN 0.764 nan 8.210 nan 0.000 0.583 210 G N 2.811 111.773 108.800 0.269 0.000 2.289 210 G HA2 -0.200 3.760 3.960 0.000 0.000 0.280 210 G HA3 -0.200 3.760 3.960 0.000 0.000 0.280 210 G C 0.043 175.074 174.900 0.219 0.000 1.089 210 G CA 0.213 45.485 45.100 0.287 0.000 0.939 210 G HN 1.270 nan 8.290 nan 0.000 0.499 211 T N -1.876 112.753 114.554 0.126 0.000 2.881 211 T HA 0.971 5.322 4.350 0.000 0.000 0.278 211 T C 0.713 175.398 174.700 -0.026 0.000 0.982 211 T CA 0.179 62.285 62.100 0.011 0.000 0.989 211 T CB 2.842 71.712 68.868 0.005 0.000 1.058 211 T HN 2.151 nan 8.240 nan 0.000 0.529 212 G N -0.232 108.520 108.800 -0.079 0.000 2.337 212 G HA2 0.171 4.131 3.960 0.000 0.000 0.298 212 G HA3 0.171 4.131 3.960 0.000 0.000 0.298 212 G C -0.091 174.750 174.900 -0.100 0.000 1.335 212 G CA -0.107 44.952 45.100 -0.068 0.000 0.875 212 G HN 0.629 nan 8.290 nan 0.000 0.579 213 D N -0.409 119.946 120.400 -0.075 0.000 2.178 213 D HA -0.018 4.622 4.640 0.000 0.000 0.201 213 D C 0.698 176.938 176.300 -0.101 0.000 0.980 213 D CA 1.013 54.972 54.000 -0.067 0.000 0.842 213 D CB 0.215 40.990 40.800 -0.042 0.000 0.948 213 D HN 0.363 nan 8.370 nan 0.000 0.472 214 R N -0.952 119.465 120.500 -0.139 0.000 2.698 214 R HA 0.610 4.950 4.340 0.000 0.000 0.275 214 R C -1.090 175.039 176.300 -0.284 0.000 1.001 214 R CA -0.724 55.263 56.100 -0.189 0.000 0.896 214 R CB 2.363 32.585 30.300 -0.130 0.000 1.218 214 R HN -0.137 nan 8.270 nan 0.000 0.462 215 A N 2.231 124.764 122.820 -0.477 0.000 2.276 215 A HA 0.499 4.819 4.320 0.000 0.000 0.316 215 A C -0.670 176.677 177.584 -0.395 0.000 1.229 215 A CA -0.430 51.226 52.037 -0.636 0.000 0.851 215 A CB 0.737 18.760 19.000 -1.628 0.000 1.165 215 A HN 0.722 nan 8.150 nan 0.000 0.513 216 E N 0.682 120.763 120.200 -0.199 0.000 2.293 216 E HA 0.617 4.967 4.350 0.000 0.000 0.270 216 E C -0.932 175.591 176.600 -0.128 0.000 0.879 216 E CA -0.727 55.573 56.400 -0.167 0.000 0.756 216 E CB 2.485 32.139 29.700 -0.076 0.000 1.208 216 E HN 0.734 nan 8.360 nan 0.000 0.428 217 T N -0.650 113.684 114.554 -0.368 0.000 2.912 217 T HA 0.609 4.959 4.350 0.000 0.000 0.299 217 T C -1.399 172.941 174.700 -0.600 0.000 1.052 217 T CA -0.689 61.237 62.100 -0.290 0.000 0.996 217 T CB 0.615 69.398 68.868 -0.142 0.000 1.070 217 T HN 0.369 nan 8.240 nan 0.000 0.465 218 Y N 0.533 120.854 120.300 0.036 0.000 2.373 218 Y HA 0.630 5.180 4.550 0.000 0.000 0.336 218 Y C 0.224 176.124 175.900 -0.001 0.000 0.979 218 Y CA -0.859 57.261 58.100 0.033 0.000 1.080 218 Y CB 2.779 41.289 38.460 0.084 0.000 1.190 218 Y HN 0.781 nan 8.280 nan 0.000 0.446 219 T N 2.233 116.849 114.554 0.104 0.000 2.881 219 T HA 0.697 5.047 4.350 0.000 0.000 0.290 219 T C -0.122 174.614 174.700 0.060 0.000 1.000 219 T CA -0.904 61.215 62.100 0.033 0.000 0.978 219 T CB 1.655 70.479 68.868 -0.074 0.000 0.997 219 T HN 0.882 nan 8.240 nan 0.000 0.443 220 G N 0.523 109.391 108.800 0.113 0.000 2.482 220 G HA2 0.776 4.737 3.960 0.000 0.000 0.317 220 G HA3 0.776 4.737 3.960 0.000 0.000 0.317 220 G C -0.668 174.292 174.900 0.099 0.000 1.241 220 G CA -0.872 44.296 45.100 0.113 0.000 0.967 220 G HN 0.952 nan 8.290 nan 0.000 0.482 221 G N -0.638 108.209 108.800 0.080 0.000 2.720 221 G HA2 0.635 4.595 3.960 0.000 0.000 0.295 221 G HA3 0.635 4.595 3.960 0.000 0.000 0.295 221 G C -1.569 173.550 174.900 0.366 0.000 1.437 221 G CA -0.646 44.534 45.100 0.135 0.000 0.886 221 G HN 0.697 nan 8.290 nan 0.000 0.509 222 L N 0.362 121.854 121.223 0.449 0.000 2.434 222 L HA 0.764 5.104 4.340 0.000 0.000 0.260 222 L C -0.533 176.487 176.870 0.249 0.000 0.983 222 L CA -0.987 54.083 54.840 0.384 0.000 0.820 222 L CB 3.015 45.220 42.059 0.244 0.000 1.361 222 L HN 0.847 nan 8.230 nan 0.000 0.410 223 K N 1.156 121.557 120.400 0.001 0.000 2.562 223 K HA 0.517 4.837 4.320 0.000 0.000 0.267 223 K C -2.126 174.318 176.600 -0.260 0.000 0.938 223 K CA -0.929 55.191 56.287 -0.279 0.000 0.840 223 K CB 2.398 34.502 32.500 -0.661 0.000 1.390 223 K HN 0.399 nan 8.250 nan 0.000 0.428 224 Y N 1.639 121.643 120.300 -0.493 0.000 2.350 224 Y HA 0.424 4.975 4.550 0.000 0.000 0.338 224 Y C -1.597 173.961 175.900 -0.570 0.000 0.961 224 Y CA -0.633 57.138 58.100 -0.548 0.000 1.100 224 Y CB 2.043 40.203 38.460 -0.501 0.000 1.179 224 Y HN 0.866 nan 8.280 nan 0.000 0.454 225 D N 5.093 124.861 120.400 -1.054 0.000 2.429 225 D HA 0.635 5.276 4.640 0.000 0.000 0.255 225 D C -1.496 174.358 176.300 -0.742 0.000 1.257 225 D CA 0.154 53.757 54.000 -0.661 0.000 0.890 225 D CB 0.367 40.959 40.800 -0.347 0.000 1.267 225 D HN 0.821 nan 8.370 nan 0.000 0.521 226 A N 2.097 124.416 122.820 -0.834 0.000 2.540 226 A HA 0.549 4.870 4.320 0.000 0.000 0.291 226 A C -0.323 177.079 177.584 -0.304 0.000 1.083 226 A CA -0.729 50.975 52.037 -0.553 0.000 0.650 226 A CB 0.643 19.274 19.000 -0.615 0.000 1.292 226 A HN 0.216 nan 8.150 nan 0.000 0.435 227 N N 1.437 120.031 118.700 -0.176 0.000 2.708 227 N HA -0.227 4.513 4.740 0.000 0.000 0.251 227 N C 0.179 175.631 175.510 -0.097 0.000 1.017 227 N CA 1.356 54.361 53.050 -0.075 0.000 0.742 227 N CB -0.952 37.554 38.487 0.032 0.000 0.943 227 N HN 0.828 nan 8.380 nan 0.000 0.539 228 N N -2.332 116.236 118.700 -0.218 0.000 2.900 228 N HA -0.229 4.511 4.740 0.000 0.000 0.240 228 N C -0.102 175.179 175.510 -0.383 0.000 0.953 228 N CA 1.393 54.199 53.050 -0.407 0.000 0.950 228 N CB -1.109 36.979 38.487 -0.665 0.000 1.102 228 N HN 0.603 nan 8.380 nan 0.000 0.593 229 I N 0.519 121.029 120.570 -0.100 0.000 2.359 229 I HA 0.256 4.426 4.170 0.000 0.000 0.294 229 I C -0.222 175.918 176.117 0.039 0.000 0.987 229 I CA -0.754 60.595 61.300 0.080 0.000 1.225 229 I CB 1.137 39.279 38.000 0.237 0.000 1.366 229 I HN -0.034 nan 8.210 nan 0.000 0.466 230 Y N 7.226 127.496 120.300 -0.050 0.000 2.338 230 Y HA 0.645 5.196 4.550 0.000 0.000 0.328 230 Y C -1.377 174.522 175.900 -0.001 0.000 0.965 230 Y CA -0.621 57.430 58.100 -0.082 0.000 1.208 230 Y CB 1.054 39.443 38.460 -0.117 0.000 1.132 230 Y HN 0.369 nan 8.280 nan 0.000 0.469 231 L N 5.798 126.786 121.223 -0.391 0.000 2.365 231 L HA 0.985 5.325 4.340 0.000 0.000 0.273 231 L C -0.737 175.872 176.870 -0.435 0.000 1.000 231 L CA -0.964 53.736 54.840 -0.233 0.000 0.819 231 L CB 1.918 43.942 42.059 -0.058 0.000 1.284 231 L HN 0.736 nan 8.230 nan 0.000 0.418 232 A N 2.517 125.220 122.820 -0.194 0.000 2.589 232 A HA 0.952 5.272 4.320 0.000 0.000 0.296 232 A C -1.585 176.025 177.584 0.043 0.000 1.062 232 A CA -0.307 51.678 52.037 -0.086 0.000 0.686 232 A CB 1.979 20.951 19.000 -0.047 0.000 1.282 232 A HN 0.804 nan 8.150 nan 0.000 0.404 233 A N 1.043 123.924 122.820 0.102 0.000 2.488 233 A HA 0.793 5.114 4.320 0.000 0.000 0.298 233 A C -1.012 176.635 177.584 0.105 0.000 1.044 233 A CA -0.354 51.715 52.037 0.052 0.000 0.693 233 A CB 1.600 20.699 19.000 0.164 0.000 1.272 233 A HN 1.883 nan 8.150 nan 0.000 0.402 234 Q N 0.545 120.339 119.800 -0.010 0.000 2.347 234 Q HA 0.689 5.029 4.340 0.000 0.000 0.271 234 Q C -1.685 174.425 176.000 0.183 0.000 1.064 234 Q CA -0.620 55.228 55.803 0.075 0.000 0.800 234 Q CB 1.747 30.482 28.738 -0.006 0.000 1.304 234 Q HN 0.825 nan 8.270 nan 0.000 0.438 235 Y N 1.301 121.706 120.300 0.174 0.000 2.341 235 Y HA 0.719 5.270 4.550 0.000 0.000 0.338 235 Y C -1.291 174.693 175.900 0.140 0.000 0.965 235 Y CA -0.380 57.866 58.100 0.244 0.000 1.108 235 Y CB 2.332 40.957 38.460 0.274 0.000 1.180 235 Y HN 0.828 nan 8.280 nan 0.000 0.458 236 T N 6.337 120.547 114.554 -0.574 0.000 2.881 236 T HA 0.289 4.639 4.350 0.000 0.000 0.290 236 T C -1.349 173.003 174.700 -0.581 0.000 1.000 236 T CA -0.700 61.160 62.100 -0.399 0.000 0.978 236 T CB 1.489 70.261 68.868 -0.160 0.000 0.997 236 T HN 0.643 nan 8.240 nan 0.000 0.443 237 Q N 2.175 121.817 119.800 -0.263 0.000 2.322 237 Q HA 0.616 4.956 4.340 0.000 0.000 0.265 237 Q C -0.544 175.457 176.000 0.002 0.000 0.985 237 Q CA -0.635 55.089 55.803 -0.132 0.000 0.849 237 Q CB 1.043 29.834 28.738 0.089 0.000 1.274 237 Q HN 0.815 nan 8.270 nan 0.000 0.449 238 T N 0.377 114.831 114.554 -0.166 0.000 2.908 238 T HA 0.620 4.970 4.350 0.000 0.000 0.290 238 T C -1.160 173.339 174.700 -0.335 0.000 1.034 238 T CA -0.509 61.537 62.100 -0.089 0.000 1.010 238 T CB 0.875 69.730 68.868 -0.022 0.000 1.068 238 T HN 0.406 nan 8.240 nan 0.000 0.481 239 Y N 1.104 121.423 120.300 0.032 0.000 2.346 239 Y HA 0.444 4.994 4.550 0.000 0.000 0.332 239 Y C 0.577 176.439 175.900 -0.063 0.000 0.985 239 Y CA -1.193 56.916 58.100 0.015 0.000 1.112 239 Y CB 1.466 39.943 38.460 0.029 0.000 1.170 239 Y HN 0.795 nan 8.280 nan 0.000 0.447 240 N N 0.943 119.696 118.700 0.087 0.000 2.708 240 N HA -0.239 4.501 4.740 0.000 0.000 0.249 240 N C 0.344 175.752 175.510 -0.169 0.000 1.097 240 N CA 1.142 54.174 53.050 -0.031 0.000 0.710 240 N CB -0.932 37.463 38.487 -0.153 0.000 1.032 240 N HN 0.824 nan 8.380 nan 0.000 0.551 241 A N -1.788 121.064 122.820 0.053 0.000 2.048 241 A HA 0.208 4.528 4.320 0.000 0.000 0.197 241 A C 0.729 178.587 177.584 0.456 0.000 1.486 241 A CA 0.588 52.700 52.037 0.125 0.000 1.029 241 A CB 0.491 19.495 19.000 0.007 0.000 1.101 241 A HN 0.155 nan 8.150 nan 0.000 0.470 242 T N 1.564 116.347 114.554 0.381 0.000 2.744 242 T HA 0.386 4.736 4.350 0.000 0.000 0.291 242 T C 0.034 174.956 174.700 0.370 0.000 0.957 242 T CA -0.349 61.948 62.100 0.328 0.000 1.002 242 T CB 0.940 69.917 68.868 0.182 0.000 0.919 242 T HN 0.419 nan 8.240 nan 0.000 0.468 243 R N 2.673 123.334 120.500 0.269 0.000 2.491 243 R HA 0.329 4.669 4.340 0.000 0.000 0.283 243 R C -0.893 175.389 176.300 -0.031 0.000 1.072 243 R CA -0.208 55.908 56.100 0.028 0.000 1.048 243 R CB 0.350 30.561 30.300 -0.150 0.000 0.983 243 R HN 0.406 nan 8.270 nan 0.000 0.450 244 V N 6.107 125.972 119.914 -0.081 0.000 2.225 244 V HA 0.276 4.397 4.120 0.000 0.000 0.264 244 V C 1.080 177.045 176.094 -0.215 0.000 1.067 244 V CA 0.268 62.535 62.300 -0.054 0.000 0.903 244 V CB -0.030 31.843 31.823 0.084 0.000 1.136 244 V HN 1.206 nan 8.190 nan 0.000 0.456 245 G N 4.095 112.727 108.800 -0.281 0.000 2.611 245 G HA2 -0.352 3.608 3.960 0.000 0.000 0.301 245 G HA3 -0.352 3.608 3.960 0.000 0.000 0.301 245 G C 1.141 175.778 174.900 -0.438 0.000 1.233 245 G CA 0.769 45.664 45.100 -0.342 0.000 0.993 245 G HN 1.225 nan 8.290 nan 0.000 0.553 246 S N 0.027 115.533 115.700 -0.322 0.000 2.593 246 S HA 0.362 4.832 4.470 0.000 0.000 0.217 246 S C 2.252 176.807 174.600 -0.075 0.000 0.966 246 S CA 1.059 59.117 58.200 -0.236 0.000 0.914 246 S CB 0.204 63.314 63.200 -0.149 0.000 0.776 246 S HN 0.578 nan 8.310 nan 0.000 0.523 247 L N 0.843 122.008 121.223 -0.097 0.000 2.240 247 L HA 0.314 4.654 4.340 0.000 0.000 0.211 247 L C 1.681 178.587 176.870 0.060 0.000 1.106 247 L CA 0.783 55.623 54.840 -0.001 0.000 0.793 247 L CB -0.636 41.415 42.059 -0.013 0.000 0.927 247 L HN 0.675 nan 8.230 nan 0.000 0.446 248 G N -1.956 106.872 108.800 0.047 0.000 2.295 248 G HA2 -0.084 3.876 3.960 0.000 0.000 0.155 248 G HA3 -0.084 3.876 3.960 0.000 0.000 0.155 248 G C -1.717 173.111 174.900 -0.120 0.000 1.307 248 G CA -0.691 44.356 45.100 -0.088 0.000 1.140 248 G HN -0.029 nan 8.290 nan 0.000 0.470 249 W N 0.345 121.795 121.300 0.251 0.000 2.894 249 W HA 0.723 5.383 4.660 0.000 0.000 0.345 249 W C 0.235 176.844 176.519 0.151 0.000 1.152 249 W CA -0.348 57.127 57.345 0.216 0.000 1.089 249 W CB 1.968 31.559 29.460 0.219 0.000 1.454 249 W HN 0.970 nan 8.180 nan 0.000 0.589 250 A N 1.729 124.767 122.820 0.363 0.000 2.289 250 A HA 0.201 4.521 4.320 0.000 0.000 0.298 250 A C 0.934 178.619 177.584 0.168 0.000 1.208 250 A CA -0.380 51.784 52.037 0.211 0.000 0.845 250 A CB 0.259 19.338 19.000 0.133 0.000 1.125 250 A HN 0.654 nan 8.150 nan 0.000 0.517 251 N N 1.026 119.813 118.700 0.145 0.000 2.094 251 N HA -0.134 4.606 4.740 0.000 0.000 0.191 251 N C 0.473 176.030 175.510 0.079 0.000 1.023 251 N CA 1.557 54.684 53.050 0.127 0.000 0.857 251 N CB -0.021 38.537 38.487 0.118 0.000 1.013 251 N HN 0.770 nan 8.380 nan 0.000 0.426 252 K N -0.408 119.986 120.400 -0.010 0.000 2.501 252 K HA 0.580 4.900 4.320 0.000 0.000 0.252 252 K C -1.950 174.569 176.600 -0.136 0.000 0.934 252 K CA -0.555 55.603 56.287 -0.216 0.000 0.797 252 K CB 2.199 34.572 32.500 -0.213 0.000 1.270 252 K HN -0.026 nan 8.250 nan 0.000 0.431 253 A N 3.403 126.111 122.820 -0.186 0.000 2.414 253 A HA 0.471 4.791 4.320 0.000 0.000 0.306 253 A C -1.522 175.993 177.584 -0.115 0.000 1.054 253 A CA -0.722 51.262 52.037 -0.088 0.000 0.724 253 A CB 1.683 20.671 19.000 -0.020 0.000 1.267 253 A HN 0.707 nan 8.150 nan 0.000 0.418 254 Q N 1.797 121.570 119.800 -0.045 0.000 2.368 254 Q HA 0.374 4.714 4.340 0.000 0.000 0.263 254 Q C -1.177 174.820 176.000 -0.005 0.000 1.009 254 Q CA -0.714 55.074 55.803 -0.025 0.000 0.818 254 Q CB 1.607 30.435 28.738 0.151 0.000 1.239 254 Q HN 0.681 nan 8.270 nan 0.000 0.464 255 N N 2.446 121.062 118.700 -0.140 0.000 2.372 255 N HA 0.513 5.253 4.740 0.000 0.000 0.291 255 N C -1.528 174.037 175.510 0.091 0.000 1.024 255 N CA -0.298 52.737 53.050 -0.024 0.000 0.873 255 N CB 1.535 40.000 38.487 -0.037 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.739 120.712 119.950 0.038 0.000 2.581 256 F HA 0.414 4.941 4.527 0.000 0.000 0.311 256 F C -1.040 174.792 175.800 0.053 0.000 1.113 256 F CA -0.611 57.471 58.000 0.136 0.000 0.935 256 F CB 1.624 40.785 39.000 0.268 0.000 1.232 256 F HN 0.344 nan 8.300 nan 0.000 0.445 257 E N 4.398 124.129 120.200 -0.781 0.000 2.275 257 E HA 0.747 5.097 4.350 0.000 0.000 0.270 257 E C -1.563 174.580 176.600 -0.761 0.000 0.882 257 E CA -1.221 54.824 56.400 -0.592 0.000 0.758 257 E CB 2.174 31.727 29.700 -0.245 0.000 1.195 257 E HN 0.725 nan 8.360 nan 0.000 0.419 258 A N 1.951 124.507 122.820 -0.440 0.000 2.475 258 A HA 0.793 5.114 4.320 0.000 0.000 0.301 258 A C -1.171 176.413 177.584 0.000 0.000 1.059 258 A CA -0.649 51.280 52.037 -0.180 0.000 0.710 258 A CB 1.542 20.538 19.000 -0.007 0.000 1.288 258 A HN 0.294 nan 8.150 nan 0.000 0.408 259 V N 0.129 120.076 119.914 0.056 0.000 2.808 259 V HA 0.805 4.925 4.120 0.000 0.000 0.308 259 V C -0.070 176.100 176.094 0.127 0.000 1.099 259 V CA -0.264 62.103 62.300 0.113 0.000 0.920 259 V CB 1.601 33.526 31.823 0.171 0.000 1.014 259 V HN 1.638 nan 8.190 nan 0.000 0.425 260 A N 3.912 126.812 122.820 0.134 0.000 2.356 260 A HA 0.920 5.240 4.320 0.000 0.000 0.310 260 A C -0.852 176.826 177.584 0.155 0.000 1.075 260 A CA -0.551 51.566 52.037 0.132 0.000 0.746 260 A CB 1.778 20.837 19.000 0.099 0.000 1.221 260 A HN 0.809 nan 8.150 nan 0.000 0.443 261 Q N 0.210 120.118 119.800 0.179 0.000 2.416 261 Q HA 0.530 4.870 4.340 0.000 0.000 0.281 261 Q C -2.114 173.985 176.000 0.166 0.000 1.067 261 Q CA -0.617 55.283 55.803 0.160 0.000 0.809 261 Q CB 2.978 31.795 28.738 0.132 0.000 1.418 261 Q HN 0.743 nan 8.270 nan 0.000 0.411 262 Y N 0.841 121.117 120.300 -0.040 0.000 2.492 262 Y HA 0.352 4.903 4.550 0.000 0.000 0.346 262 Y C -1.381 174.389 175.900 -0.216 0.000 0.997 262 Y CA -0.631 57.368 58.100 -0.169 0.000 1.025 262 Y CB 2.243 40.529 38.460 -0.291 0.000 1.263 262 Y HN 0.551 nan 8.280 nan 0.000 0.454 263 Q N 5.026 124.248 119.800 -0.962 0.000 2.413 263 Q HA 0.413 4.753 4.340 0.000 0.000 0.258 263 Q C -1.949 173.567 176.000 -0.806 0.000 1.037 263 Q CA -0.347 55.075 55.803 -0.635 0.000 0.764 263 Q CB 0.201 28.656 28.738 -0.472 0.000 1.217 263 Q HN 0.535 nan 8.270 nan 0.000 0.490 264 F N 2.486 122.217 119.950 -0.366 0.000 2.529 264 F HA 0.055 4.582 4.527 0.000 0.000 0.365 264 F C 1.342 176.904 175.800 -0.397 0.000 1.102 264 F CA 0.083 57.887 58.000 -0.327 0.000 1.271 264 F CB 0.695 39.312 39.000 -0.638 0.000 1.120 264 F HN 0.622 nan 8.300 nan 0.000 0.579 265 D N 2.289 122.685 120.400 -0.007 0.000 2.170 265 D HA -0.292 4.348 4.640 0.000 0.000 0.193 265 D C 1.942 178.268 176.300 0.042 0.000 1.004 265 D CA 1.979 55.989 54.000 0.016 0.000 0.860 265 D CB -0.412 40.458 40.800 0.116 0.000 0.931 265 D HN 0.589 nan 8.370 nan 0.000 0.448 266 F N -2.123 117.920 119.950 0.156 0.000 2.699 266 F HA 0.275 4.802 4.527 0.000 0.000 0.298 266 F C 1.600 177.472 175.800 0.119 0.000 1.154 266 F CA 0.760 58.843 58.000 0.139 0.000 1.457 266 F CB 0.013 39.103 39.000 0.151 0.000 1.106 266 F HN 0.013 nan 8.300 nan 0.000 0.585 267 G N 0.485 109.132 108.800 -0.255 0.000 2.480 267 G HA2 -0.176 3.785 3.960 0.000 0.000 0.193 267 G HA3 -0.176 3.785 3.960 0.000 0.000 0.193 267 G C -0.359 174.402 174.900 -0.232 0.000 1.004 267 G CA -0.199 44.721 45.100 -0.299 0.000 0.696 267 G HN 0.384 nan 8.290 nan 0.000 0.478 268 L N 1.873 122.988 121.223 -0.180 0.000 2.367 268 L HA 0.766 5.106 4.340 0.000 0.000 0.275 268 L C 0.601 177.560 176.870 0.149 0.000 1.129 268 L CA -0.289 54.617 54.840 0.109 0.000 0.839 268 L CB 0.854 43.044 42.059 0.218 0.000 1.133 268 L HN 0.265 nan 8.230 nan 0.000 0.453 269 R N 6.119 126.722 120.500 0.172 0.000 2.487 269 R HA 0.480 4.820 4.340 0.000 0.000 0.288 269 R C -2.631 173.773 176.300 0.173 0.000 1.394 269 R CA -1.679 54.515 56.100 0.156 0.000 1.155 269 R CB 0.955 31.353 30.300 0.162 0.000 1.156 269 R HN 0.451 nan 8.270 nan 0.000 0.553 270 P HA 0.089 nan 4.420 nan 0.000 0.272 270 P C -1.062 176.336 177.300 0.164 0.000 1.223 270 P CA -0.227 63.002 63.100 0.215 0.000 0.784 270 P CB 1.411 33.280 31.700 0.281 0.000 0.923 271 S N 1.234 117.023 115.700 0.148 0.000 2.572 271 S HA 0.663 5.134 4.470 0.000 0.000 0.274 271 S C -1.797 172.884 174.600 0.136 0.000 1.150 271 S CA -0.519 57.759 58.200 0.130 0.000 0.944 271 S CB 0.218 63.479 63.200 0.103 0.000 1.071 271 S HN 0.297 nan 8.310 nan 0.000 0.479 272 L N 4.319 125.621 121.223 0.132 0.000 2.409 272 L HA 0.978 5.318 4.340 0.000 0.000 0.272 272 L C -0.689 176.259 176.870 0.130 0.000 0.980 272 L CA 0.036 54.954 54.840 0.129 0.000 0.826 272 L CB 1.489 43.617 42.059 0.115 0.000 1.268 272 L HN 0.844 nan 8.230 nan 0.000 0.407 273 A N 3.788 126.691 122.820 0.139 0.000 2.556 273 A HA 0.752 5.072 4.320 0.000 0.000 0.294 273 A C -2.289 175.383 177.584 0.147 0.000 1.091 273 A CA -0.471 51.641 52.037 0.126 0.000 0.704 273 A CB 1.372 20.435 19.000 0.105 0.000 1.300 273 A HN 0.718 nan 8.150 nan 0.000 0.406 274 Y N 0.729 121.003 120.300 -0.043 0.000 2.421 274 Y HA 0.705 5.255 4.550 0.000 0.000 0.339 274 Y C -1.898 173.883 175.900 -0.198 0.000 0.996 274 Y CA -0.947 57.102 58.100 -0.084 0.000 1.046 274 Y CB 1.546 40.023 38.460 0.028 0.000 1.226 274 Y HN 0.618 nan 8.280 nan 0.000 0.445 275 L N 5.370 125.977 121.223 -1.027 0.000 2.401 275 L HA 0.625 4.965 4.340 0.000 0.000 0.266 275 L C -1.024 175.300 176.870 -0.909 0.000 0.991 275 L CA -0.508 53.809 54.840 -0.871 0.000 0.818 275 L CB 2.433 43.950 42.059 -0.902 0.000 1.321 275 L HN 0.687 nan 8.230 nan 0.000 0.413 276 Q N 0.961 120.495 119.800 -0.443 0.000 2.295 276 Q HA 0.595 4.935 4.340 0.000 0.000 0.268 276 Q C -1.720 174.254 176.000 -0.044 0.000 1.010 276 Q CA -0.344 55.331 55.803 -0.213 0.000 0.856 276 Q CB 2.439 31.166 28.738 -0.020 0.000 1.349 276 Q HN 0.564 nan 8.270 nan 0.000 0.412 277 S N 3.178 118.863 115.700 -0.026 0.000 2.659 277 S HA 0.464 4.934 4.470 0.000 0.000 0.312 277 S C -1.353 173.261 174.600 0.024 0.000 1.114 277 S CA -0.577 57.631 58.200 0.014 0.000 1.063 277 S CB 0.569 63.777 63.200 0.014 0.000 0.996 277 S HN 0.430 nan 8.310 nan 0.000 0.478 278 K N 3.378 123.797 120.400 0.032 0.000 2.316 278 K HA 0.372 4.692 4.320 0.000 0.000 0.267 278 K C 0.357 176.954 176.600 -0.006 0.000 1.025 278 K CA -0.552 55.744 56.287 0.016 0.000 0.896 278 K CB 1.446 33.969 32.500 0.039 0.000 1.124 278 K HN 0.679 nan 8.250 nan 0.000 0.451 279 G N 3.311 112.091 108.800 -0.034 0.000 2.370 279 G HA2 0.168 4.128 3.960 0.000 0.000 0.272 279 G HA3 0.168 4.128 3.960 0.000 0.000 0.272 279 G C -0.300 174.571 174.900 -0.049 0.000 1.208 279 G CA -0.446 44.632 45.100 -0.036 0.000 0.856 279 G HN 0.306 nan 8.290 nan 0.000 0.500 280 K N 1.692 122.080 120.400 -0.020 0.000 2.207 280 K HA 0.228 4.549 4.320 0.000 0.000 0.255 280 K C 0.294 176.904 176.600 0.017 0.000 0.941 280 K CA -1.143 55.139 56.287 -0.008 0.000 0.825 280 K CB 1.544 34.041 32.500 -0.004 0.000 1.119 280 K HN 0.621 nan 8.250 nan 0.000 0.430 281 N N 2.025 120.739 118.700 0.022 0.000 2.678 281 N HA -0.204 4.536 4.740 0.000 0.000 0.268 281 N C 0.115 175.668 175.510 0.071 0.000 1.010 281 N CA 0.202 53.278 53.050 0.044 0.000 0.784 281 N CB -0.918 37.597 38.487 0.047 0.000 0.905 281 N HN 0.637 nan 8.380 nan 0.000 0.552 282 L N -0.240 121.034 121.223 0.086 0.000 2.156 282 L HA 0.143 4.483 4.340 0.000 0.000 0.208 282 L C 1.709 178.684 176.870 0.175 0.000 1.095 282 L CA 0.836 55.760 54.840 0.139 0.000 0.770 282 L CB -0.755 41.398 42.059 0.156 0.000 0.914 282 L HN 0.715 nan 8.230 nan 0.000 0.439 283 G N -0.577 108.315 108.800 0.154 0.000 2.661 283 G HA2 -0.212 3.748 3.960 0.000 0.000 0.685 283 G HA3 -0.212 3.748 3.960 0.000 0.000 0.685 283 G C 0.181 175.162 174.900 0.135 0.000 1.298 283 G CA -0.198 44.977 45.100 0.126 0.000 0.855 283 G HN 0.259 nan 8.290 nan 0.000 0.560 284 R N -0.901 119.628 120.500 0.049 0.000 3.651 284 R HA -0.120 4.220 4.340 0.000 0.000 0.292 284 R C 1.554 177.691 176.300 -0.272 0.000 1.161 284 R CA 2.302 58.376 56.100 -0.044 0.000 0.787 284 R CB -1.551 28.789 30.300 0.067 0.000 1.249 284 R HN 2.948 nan 8.270 nan 0.000 0.476 285 G N -1.825 106.869 108.800 -0.176 0.000 2.162 285 G HA2 -0.369 3.591 3.960 0.000 0.000 0.260 285 G HA3 -0.369 3.591 3.960 0.000 0.000 0.260 285 G C 0.140 174.911 174.900 -0.216 0.000 0.976 285 G CA 0.569 45.540 45.100 -0.215 0.000 0.655 285 G HN 0.436 nan 8.290 nan 0.000 0.533 286 Y N 0.231 120.559 120.300 0.047 0.000 2.476 286 Y HA 0.191 4.742 4.550 0.000 0.000 0.283 286 Y C 1.984 177.852 175.900 -0.053 0.000 1.109 286 Y CA 0.053 58.164 58.100 0.019 0.000 1.246 286 Y CB 0.139 38.641 38.460 0.070 0.000 1.068 286 Y HN 0.308 nan 8.280 nan 0.000 0.552 287 D N -0.304 120.161 120.400 0.109 0.000 3.996 287 D HA -0.252 4.388 4.640 0.000 0.000 0.140 287 D C -0.697 175.598 176.300 -0.008 0.000 0.829 287 D CA 1.749 55.772 54.000 0.039 0.000 1.111 287 D CB -1.086 39.727 40.800 0.021 0.000 0.516 287 D HN 0.161 nan 8.370 nan 0.000 0.517 288 D N 2.469 122.843 120.400 -0.043 0.000 2.233 288 D HA 0.523 5.163 4.640 0.000 0.000 0.240 288 D C -0.055 176.137 176.300 -0.182 0.000 1.074 288 D CA 0.174 54.121 54.000 -0.089 0.000 0.838 288 D CB 1.152 41.921 40.800 -0.051 0.000 1.124 288 D HN 0.113 nan 8.370 nan 0.000 0.475 289 E N 1.065 121.080 120.200 -0.308 0.000 2.356 289 E HA 0.216 4.566 4.350 0.000 0.000 0.275 289 E C -1.079 175.333 176.600 -0.314 0.000 0.904 289 E CA -0.763 55.350 56.400 -0.477 0.000 0.757 289 E CB 2.262 31.193 29.700 -1.281 0.000 1.232 289 E HN 0.253 nan 8.360 nan 0.000 0.442 290 D N 2.056 122.353 120.400 -0.172 0.000 2.383 290 D HA 0.146 4.786 4.640 0.000 0.000 0.252 290 D C 1.126 177.465 176.300 0.065 0.000 1.166 290 D CA 0.141 54.120 54.000 -0.035 0.000 0.879 290 D CB 1.121 41.930 40.800 0.015 0.000 1.164 290 D HN 0.381 nan 8.370 nan 0.000 0.462 291 I N 1.559 122.184 120.570 0.091 0.000 3.035 291 I HA 0.021 4.191 4.170 0.000 0.000 0.271 291 I C 0.552 176.727 176.117 0.097 0.000 1.190 291 I CA 0.410 61.814 61.300 0.173 0.000 1.472 291 I CB 0.262 38.335 38.000 0.123 0.000 1.116 291 I HN 0.164 nan 8.210 nan 0.000 0.443 292 L N 0.357 121.613 121.223 0.054 0.000 2.545 292 L HA 0.474 4.814 4.340 0.000 0.000 0.258 292 L C -1.221 175.638 176.870 -0.018 0.000 0.942 292 L CA -0.349 54.511 54.840 0.033 0.000 0.855 292 L CB 1.761 43.827 42.059 0.011 0.000 1.374 292 L HN -0.074 nan 8.230 nan 0.000 0.411 293 K N 3.964 124.361 120.400 -0.006 0.000 2.636 293 K HA 0.479 4.799 4.320 0.000 0.000 0.286 293 K C -2.268 174.334 176.600 0.003 0.000 1.100 293 K CA -0.545 55.690 56.287 -0.086 0.000 0.991 293 K CB 0.922 33.431 32.500 0.014 0.000 1.323 293 K HN 0.616 nan 8.250 nan 0.000 0.478 294 Y N -0.320 119.847 120.300 -0.222 0.000 2.581 294 Y HA 0.636 5.186 4.550 0.000 0.000 0.337 294 Y C -1.690 174.136 175.900 -0.122 0.000 1.108 294 Y CA -1.208 56.802 58.100 -0.149 0.000 1.033 294 Y CB 0.977 39.334 38.460 -0.171 0.000 1.318 294 Y HN -0.031 nan 8.280 nan 0.000 0.459 295 V N 2.584 122.624 119.914 0.210 0.000 2.532 295 V HA 0.378 4.498 4.120 0.000 0.000 0.295 295 V C -0.814 175.405 176.094 0.209 0.000 1.041 295 V CA -0.532 61.888 62.300 0.201 0.000 0.926 295 V CB 1.569 33.489 31.823 0.162 0.000 0.992 295 V HN 0.877 nan 8.190 nan 0.000 0.457 296 D N 2.744 123.266 120.400 0.204 0.000 2.593 296 D HA 0.524 5.164 4.640 0.000 0.000 0.251 296 D C -1.526 174.871 176.300 0.161 0.000 1.140 296 D CA -0.142 53.985 54.000 0.211 0.000 0.855 296 D CB 2.364 43.364 40.800 0.333 0.000 1.267 296 D HN 0.299 nan 8.370 nan 0.000 0.532 297 V N 2.519 122.523 119.914 0.151 0.000 2.540 297 V HA 0.875 4.995 4.120 0.000 0.000 0.302 297 V C 0.699 176.929 176.094 0.227 0.000 1.035 297 V CA -0.480 61.925 62.300 0.174 0.000 0.873 297 V CB 1.527 33.449 31.823 0.165 0.000 0.992 297 V HN 0.704 nan 8.190 nan 0.000 0.428 298 G N 2.470 111.385 108.800 0.191 0.000 2.608 298 G HA2 0.880 4.840 3.960 0.000 0.000 0.291 298 G HA3 0.880 4.840 3.960 0.000 0.000 0.291 298 G C -1.591 173.401 174.900 0.155 0.000 1.425 298 G CA -0.111 45.099 45.100 0.184 0.000 0.787 298 G HN 1.224 nan 8.290 nan 0.000 0.484 299 A N -0.425 122.484 122.820 0.149 0.000 2.517 299 A HA 0.835 5.155 4.320 0.000 0.000 0.297 299 A C -0.618 177.038 177.584 0.119 0.000 1.050 299 A CA -0.447 51.673 52.037 0.138 0.000 0.694 299 A CB 1.724 20.815 19.000 0.152 0.000 1.277 299 A HN 0.975 nan 8.150 nan 0.000 0.400 300 T N 1.690 116.274 114.554 0.050 0.000 2.807 300 T HA 0.523 4.873 4.350 0.000 0.000 0.279 300 T C -1.315 173.303 174.700 -0.136 0.000 0.993 300 T CA -0.043 62.006 62.100 -0.085 0.000 0.970 300 T CB 0.842 69.522 68.868 -0.314 0.000 0.950 300 T HN 0.525 nan 8.240 nan 0.000 0.441 301 Y N 2.961 123.083 120.300 -0.298 0.000 2.331 301 Y HA 0.490 5.040 4.550 0.000 0.000 0.338 301 Y C -1.410 174.186 175.900 -0.506 0.000 0.976 301 Y CA -1.404 56.498 58.100 -0.331 0.000 1.137 301 Y CB 0.604 38.873 38.460 -0.319 0.000 1.172 301 Y HN 0.607 nan 8.280 nan 0.000 0.478 302 Y N 7.478 127.315 120.300 -0.772 0.000 2.518 302 Y HA 0.199 4.749 4.550 0.000 0.000 0.344 302 Y C 0.319 175.810 175.900 -0.681 0.000 0.982 302 Y CA -0.469 57.320 58.100 -0.518 0.000 1.234 302 Y CB 0.149 38.420 38.460 -0.316 0.000 1.114 302 Y HN 0.693 nan 8.280 nan 0.000 0.515 303 F N 1.123 120.987 119.950 -0.144 0.000 2.134 303 F HA -0.191 4.336 4.527 0.000 0.000 0.299 303 F C 0.979 176.784 175.800 0.009 0.000 1.097 303 F CA 1.171 59.164 58.000 -0.011 0.000 1.264 303 F CB -0.124 38.955 39.000 0.133 0.000 1.001 303 F HN 0.568 nan 8.300 nan 0.000 0.479 304 N N -2.113 116.714 118.700 0.212 0.000 3.496 304 N HA 0.075 4.815 4.740 0.000 0.000 0.331 304 N C -0.158 175.408 175.510 0.093 0.000 1.532 304 N CA -0.733 52.385 53.050 0.114 0.000 0.863 304 N CB 0.256 38.813 38.487 0.116 0.000 1.927 304 N HN -0.228 nan 8.380 nan 0.000 0.529 305 K N -0.647 119.776 120.400 0.037 0.000 2.365 305 K HA 0.158 4.478 4.320 0.000 0.000 0.199 305 K C 0.263 176.870 176.600 0.011 0.000 1.045 305 K CA 1.234 57.520 56.287 -0.001 0.000 0.962 305 K CB -0.344 32.138 32.500 -0.030 0.000 0.759 305 K HN 0.446 nan 8.250 nan 0.000 0.469 306 N N -0.818 117.902 118.700 0.033 0.000 2.197 306 N HA 0.090 4.830 4.740 0.000 0.000 0.201 306 N C -0.643 174.862 175.510 -0.008 0.000 1.148 306 N CA -0.053 52.965 53.050 -0.053 0.000 0.883 306 N CB 0.627 39.094 38.487 -0.033 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.831 120.521 119.600 0.150 0.000 2.324 307 M HA 0.422 4.903 4.480 0.000 0.000 0.288 307 M C -1.700 174.836 176.300 0.394 0.000 1.097 307 M CA -0.631 54.823 55.300 0.257 0.000 0.928 307 M CB 1.801 34.544 32.600 0.237 0.000 1.648 307 M HN 0.049 nan 8.290 nan 0.000 0.460 308 S N 1.553 117.458 115.700 0.342 0.000 2.565 308 S HA 0.905 5.376 4.470 0.000 0.000 0.269 308 S C -1.001 173.723 174.600 0.207 0.000 1.153 308 S CA -0.781 57.538 58.200 0.199 0.000 0.835 308 S CB 2.031 65.178 63.200 -0.087 0.000 1.122 308 S HN 0.788 nan 8.310 nan 0.000 0.462 309 T N 1.085 115.697 114.554 0.097 0.000 2.909 309 T HA 0.772 5.123 4.350 0.000 0.000 0.299 309 T C -2.069 172.658 174.700 0.045 0.000 1.073 309 T CA -0.532 61.603 62.100 0.059 0.000 0.999 309 T CB 1.093 70.062 68.868 0.168 0.000 1.098 309 T HN 1.194 nan 8.240 nan 0.000 0.477 310 Y N 0.870 121.174 120.300 0.007 0.000 2.581 310 Y HA 0.808 5.358 4.550 0.000 0.000 0.337 310 Y C -1.783 174.140 175.900 0.038 0.000 1.108 310 Y CA -1.387 56.709 58.100 -0.006 0.000 1.033 310 Y CB 0.815 39.245 38.460 -0.050 0.000 1.318 310 Y HN 0.479 nan 8.280 nan 0.000 0.459 311 V N 2.383 122.489 119.914 0.320 0.000 2.604 311 V HA 0.624 4.744 4.120 0.000 0.000 0.305 311 V C -1.693 174.586 176.094 0.308 0.000 1.043 311 V CA -0.256 62.210 62.300 0.276 0.000 0.888 311 V CB 1.647 33.566 31.823 0.159 0.000 0.995 311 V HN 0.907 nan 8.190 nan 0.000 0.429 312 D N 4.536 125.122 120.400 0.311 0.000 2.629 312 D HA 0.318 4.959 4.640 0.000 0.000 0.250 312 D C -1.887 174.698 176.300 0.475 0.000 1.126 312 D CA -0.130 54.045 54.000 0.293 0.000 0.852 312 D CB 1.653 42.492 40.800 0.065 0.000 1.335 312 D HN 0.491 nan 8.370 nan 0.000 0.518 313 Y N 3.441 123.899 120.300 0.264 0.000 2.388 313 Y HA 0.304 4.854 4.550 0.000 0.000 0.328 313 Y C -0.626 175.327 175.900 0.089 0.000 0.963 313 Y CA -1.200 57.006 58.100 0.176 0.000 1.240 313 Y CB 0.830 39.360 38.460 0.117 0.000 1.118 313 Y HN 0.224 nan 8.280 nan 0.000 0.484 314 K N 8.023 128.421 120.400 -0.003 0.000 2.263 314 K HA 0.387 4.708 4.320 0.000 0.000 0.282 314 K C -0.950 175.398 176.600 -0.420 0.000 1.089 314 K CA -0.296 55.724 56.287 -0.445 0.000 0.907 314 K CB 0.135 31.925 32.500 -1.183 0.000 1.148 314 K HN 0.746 nan 8.250 nan 0.000 0.470 315 I N 4.462 124.793 120.570 -0.400 0.000 2.281 315 I HA 0.033 4.203 4.170 0.000 0.000 0.293 315 I C 0.230 176.274 176.117 -0.122 0.000 1.085 315 I CA -0.596 60.496 61.300 -0.346 0.000 1.257 315 I CB 0.346 38.131 38.000 -0.358 0.000 1.430 315 I HN 0.511 nan 8.210 nan 0.000 0.489 316 N N 6.918 125.546 118.700 -0.120 0.000 2.411 316 N HA 0.196 4.936 4.740 0.000 0.000 0.259 316 N C 0.389 175.903 175.510 0.006 0.000 1.103 316 N CA 0.008 53.025 53.050 -0.055 0.000 0.954 316 N CB 1.257 39.680 38.487 -0.107 0.000 1.085 316 N HN 0.568 nan 8.380 nan 0.000 0.485 317 L N 3.316 124.573 121.223 0.056 0.000 2.607 317 L HA 0.236 4.576 4.340 0.000 0.000 0.228 317 L C 0.642 177.545 176.870 0.055 0.000 1.123 317 L CA -0.044 54.832 54.840 0.061 0.000 0.890 317 L CB 0.017 42.136 42.059 0.100 0.000 1.103 317 L HN 0.354 nan 8.230 nan 0.000 0.468 318 L N 0.522 121.773 121.223 0.048 0.000 2.456 318 L HA 0.081 4.421 4.340 0.000 0.000 0.272 318 L C -0.040 176.855 176.870 0.041 0.000 1.189 318 L CA 0.002 54.872 54.840 0.050 0.000 0.846 318 L CB 0.328 42.417 42.059 0.050 0.000 1.111 318 L HN 0.042 nan 8.230 nan 0.000 0.475 319 D N 1.305 121.734 120.400 0.049 0.000 2.255 319 D HA 0.068 4.708 4.640 0.000 0.000 0.249 319 D C -0.450 175.878 176.300 0.048 0.000 1.078 319 D CA -0.287 53.739 54.000 0.044 0.000 0.896 319 D CB 1.532 42.359 40.800 0.045 0.000 1.194 319 D HN 0.394 nan 8.370 nan 0.000 0.429 320 D N 1.504 121.925 120.400 0.036 0.000 2.346 320 D HA 0.071 4.711 4.640 0.000 0.000 0.260 320 D C -0.332 175.995 176.300 0.046 0.000 1.252 320 D CA -0.015 54.004 54.000 0.031 0.000 0.895 320 D CB 0.041 40.853 40.800 0.019 0.000 1.097 320 D HN 0.355 nan 8.370 nan 0.000 0.489 321 N N 1.695 120.432 118.700 0.062 0.000 3.204 321 N HA 0.208 4.949 4.740 0.000 0.000 0.285 321 N C 0.637 176.208 175.510 0.100 0.000 1.536 321 N CA -0.862 52.240 53.050 0.086 0.000 0.832 321 N CB 0.659 39.212 38.487 0.110 0.000 1.645 321 N HN 0.182 nan 8.380 nan 0.000 0.586 322 R N -0.918 119.668 120.500 0.143 0.000 2.083 322 R HA -0.109 4.232 4.340 0.000 0.000 0.237 322 R C 1.703 178.119 176.300 0.195 0.000 1.137 322 R CA 1.618 57.823 56.100 0.175 0.000 0.951 322 R CB -0.559 29.881 30.300 0.233 0.000 0.851 322 R HN 0.552 nan 8.270 nan 0.000 0.434 323 F N 1.478 121.459 119.950 0.052 0.000 2.102 323 F HA -0.225 4.302 4.527 0.000 0.000 0.298 323 F C 2.414 178.092 175.800 -0.204 0.000 1.105 323 F CA 2.309 60.164 58.000 -0.242 0.000 1.239 323 F CB -0.724 38.071 39.000 -0.343 0.000 0.991 323 F HN 0.146 nan 8.300 nan 0.000 0.474 324 T N -1.504 112.944 114.554 -0.176 0.000 2.867 324 T HA -0.102 4.248 4.350 0.000 0.000 0.268 324 T C 2.102 176.657 174.700 -0.242 0.000 1.057 324 T CA 1.119 63.053 62.100 -0.277 0.000 1.136 324 T CB -0.524 68.314 68.868 -0.051 0.000 0.874 324 T HN 0.340 nan 8.240 nan 0.000 0.466 325 R N 0.895 121.314 120.500 -0.134 0.000 2.062 325 R HA -0.017 4.323 4.340 0.000 0.000 0.229 325 R C 2.446 178.676 176.300 -0.117 0.000 1.128 325 R CA 1.488 57.532 56.100 -0.093 0.000 0.960 325 R CB -0.500 29.782 30.300 -0.029 0.000 0.855 325 R HN 0.380 nan 8.270 nan 0.000 0.432 326 D N 0.682 121.012 120.400 -0.117 0.000 2.117 326 D HA -0.114 4.526 4.640 0.000 0.000 0.197 326 D C 1.625 177.801 176.300 -0.207 0.000 0.987 326 D CA 1.555 55.497 54.000 -0.097 0.000 0.829 326 D CB -0.017 40.801 40.800 0.030 0.000 0.961 326 D HN 0.216 nan 8.370 nan 0.000 0.460 327 A N -0.691 121.879 122.820 -0.416 0.000 2.119 327 A HA 0.299 4.620 4.320 0.000 0.000 0.217 327 A C 1.850 179.245 177.584 -0.315 0.000 1.153 327 A CA 1.444 53.203 52.037 -0.463 0.000 0.692 327 A CB -0.562 17.940 19.000 -0.831 0.000 0.799 327 A HN 0.502 nan 8.150 nan 0.000 0.458 328 G N -0.948 107.701 108.800 -0.251 0.000 2.176 328 G HA2 -0.229 3.731 3.960 0.000 0.000 0.252 328 G HA3 -0.229 3.731 3.960 0.000 0.000 0.252 328 G C 0.029 174.820 174.900 -0.182 0.000 1.024 328 G CA 0.333 45.323 45.100 -0.183 0.000 0.755 328 G HN 0.495 nan 8.290 nan 0.000 0.507 329 I N 0.428 120.872 120.570 -0.210 0.000 2.428 329 I HA 0.181 4.351 4.170 0.000 0.000 0.289 329 I C 0.724 176.775 176.117 -0.110 0.000 1.019 329 I CA -0.871 60.331 61.300 -0.164 0.000 1.351 329 I CB 1.038 38.934 38.000 -0.172 0.000 1.412 329 I HN 0.198 nan 8.210 nan 0.000 0.513 330 N N 3.554 122.199 118.700 -0.092 0.000 2.475 330 N HA 0.016 4.756 4.740 0.000 0.000 0.267 330 N C 0.716 176.187 175.510 -0.065 0.000 1.169 330 N CA 0.127 53.132 53.050 -0.076 0.000 0.947 330 N CB 0.783 39.221 38.487 -0.083 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.112 113.413 114.554 -0.048 0.000 3.044 331 T HA 0.200 4.550 4.350 0.000 0.000 0.260 331 T C -0.033 174.646 174.700 -0.036 0.000 1.019 331 T CA -0.316 61.766 62.100 -0.031 0.000 0.921 331 T CB -0.065 68.797 68.868 -0.008 0.000 1.053 331 T HN 0.350 nan 8.240 nan 0.000 0.533 332 D N 2.373 122.745 120.400 -0.047 0.000 2.312 332 D HA 0.286 4.927 4.640 0.000 0.000 0.248 332 D C -0.591 175.662 176.300 -0.077 0.000 1.086 332 D CA -0.354 53.623 54.000 -0.038 0.000 0.948 332 D CB 1.161 41.952 40.800 -0.016 0.000 1.162 332 D HN 0.250 nan 8.370 nan 0.000 0.446 333 D N 0.505 120.884 120.400 -0.036 0.000 2.362 333 D HA 0.328 4.968 4.640 0.000 0.000 0.242 333 D C 0.097 176.376 176.300 -0.035 0.000 1.132 333 D CA 0.224 54.205 54.000 -0.032 0.000 0.907 333 D CB 1.013 41.891 40.800 0.131 0.000 1.195 333 D HN 0.209 nan 8.370 nan 0.000 0.429 334 I N 0.403 120.909 120.570 -0.105 0.000 2.619 334 I HA 0.272 4.442 4.170 0.000 0.000 0.292 334 I C -0.728 175.460 176.117 0.118 0.000 1.100 334 I CA -1.087 60.167 61.300 -0.077 0.000 1.043 334 I CB 2.179 39.981 38.000 -0.329 0.000 1.239 334 I HN -0.094 nan 8.210 nan 0.000 0.420 335 V N 4.123 124.169 119.914 0.219 0.000 2.459 335 V HA 0.769 4.889 4.120 0.000 0.000 0.295 335 V C 0.157 176.443 176.094 0.321 0.000 1.029 335 V CA -0.510 61.966 62.300 0.294 0.000 0.874 335 V CB 1.591 33.502 31.823 0.146 0.000 0.985 335 V HN 0.844 nan 8.190 nan 0.000 0.438 336 A N 4.888 127.875 122.820 0.278 0.000 2.331 336 A HA 0.892 5.212 4.320 0.000 0.000 0.320 336 A C -1.242 176.495 177.584 0.256 0.000 1.138 336 A CA -0.523 51.620 52.037 0.175 0.000 0.790 336 A CB 1.316 20.253 19.000 -0.106 0.000 1.206 336 A HN 0.776 nan 8.150 nan 0.000 0.470 337 L N 2.339 123.699 121.223 0.229 0.000 2.376 337 L HA 0.821 5.161 4.340 0.000 0.000 0.275 337 L C 0.087 176.889 176.870 -0.113 0.000 0.987 337 L CA 0.071 54.970 54.840 0.099 0.000 0.828 337 L CB 1.679 43.897 42.059 0.265 0.000 1.249 337 L HN 0.867 nan 8.230 nan 0.000 0.409 338 G N 4.115 112.602 108.800 -0.522 0.000 2.620 338 G HA2 0.636 4.596 3.960 0.000 0.000 0.301 338 G HA3 0.636 4.596 3.960 0.000 0.000 0.301 338 G C -2.365 172.240 174.900 -0.492 0.000 1.347 338 G CA -0.542 44.147 45.100 -0.686 0.000 0.971 338 G HN 0.568 nan 8.290 nan 0.000 0.488 339 L N 1.708 122.790 121.223 -0.234 0.000 2.406 339 L HA 0.730 5.071 4.340 0.000 0.000 0.272 339 L C -1.052 175.804 176.870 -0.024 0.000 0.980 339 L CA -0.716 54.083 54.840 -0.069 0.000 0.831 339 L CB 2.215 44.266 42.059 -0.014 0.000 1.253 339 L HN 0.342 nan 8.230 nan 0.000 0.406 340 V N 5.303 125.247 119.914 0.051 0.000 2.443 340 V HA 0.339 4.459 4.120 0.000 0.000 0.293 340 V C -1.172 175.004 176.094 0.137 0.000 1.021 340 V CA -0.662 61.681 62.300 0.072 0.000 0.848 340 V CB 1.367 33.246 31.823 0.095 0.000 0.998 340 V HN 0.638 nan 8.190 nan 0.000 0.424 341 Y N 5.690 126.013 120.300 0.038 0.000 2.328 341 Y HA 0.671 5.221 4.550 0.000 0.000 0.337 341 Y C 0.124 176.083 175.900 0.100 0.000 1.008 341 Y CA -0.319 57.826 58.100 0.075 0.000 1.129 341 Y CB 1.280 39.779 38.460 0.066 0.000 1.185 341 Y HN 0.749 nan 8.280 nan 0.000 0.476 342 Q N 6.093 125.495 119.800 -0.662 0.000 2.451 342 Q HA 0.629 4.970 4.340 0.000 0.000 0.281 342 Q C -1.787 173.887 176.000 -0.544 0.000 1.099 342 Q CA -0.925 54.586 55.803 -0.487 0.000 0.806 342 Q CB 2.813 31.409 28.738 -0.237 0.000 1.419 342 Q HN 0.644 nan 8.270 nan 0.000 0.427 343 F N 0.000 119.772 119.950 -0.296 0.000 2.286 343 F HA 0.000 4.527 4.527 0.000 0.000 0.279 343 F CA 0.000 57.930 58.000 -0.117 0.000 1.383 343 F CB 0.000 39.013 39.000 0.021 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574