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 1jdj_1_A DATA FIRST_RESID 9 DATA SEQUENCE KDELLYLNKA VVFGSGAFGT ALAMVLSKKC REVCVWHMNE EEVRLVNEKR DATA SEQUENCE ENVLFLKGVQ LASNITFTSD VEKAYNGAEI ILFVIPTQFL RGFFEKSGGN DATA SEQUENCE LIAYAKEKQV PVLVCTKGIE RSTLKFPAEI IGEFLPSPLL SVLAGPSFAI DATA SEQUENCE EVATGVFTCV SIASADINVA RRLQRIMSTG DRSFVCWATT DTVGCEVASA DATA SEQUENCE VKNVLAIGSG VANGLGMGLN ARAALIMRGL LEIRDLTAAL GGDGSAVFGL DATA SEQUENCE AGLGDLQLTC SSELSRNFTV GKKLGKGLPI EEIQRXXXAV AEGVATADPL DATA SEQUENCE MRLAKQLKVK MPLCHQIYEI VYKKKNPRDA LADLLSCGLQ DEGLPPLFK 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.590 176.600 -0.017 0.000 0.988 9 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 9 K CB 0.000 32.500 32.500 -0.000 0.000 1.064 10 D N 1.963 122.351 120.400 -0.020 0.000 2.319 10 D HA 0.009 4.649 4.640 -0.000 0.000 0.230 10 D C -0.367 175.922 176.300 -0.020 0.000 1.094 10 D CA 0.153 54.132 54.000 -0.034 0.000 0.856 10 D CB 0.366 41.142 40.800 -0.039 0.000 0.915 10 D HN 0.500 nan 8.370 nan 0.000 0.517 11 E N 1.082 121.280 120.200 -0.003 0.000 2.229 11 E HA 0.176 4.525 4.350 -0.000 0.000 0.283 11 E C -0.115 176.494 176.600 0.015 0.000 1.030 11 E CA -0.501 55.910 56.400 0.019 0.000 0.836 11 E CB 0.623 30.341 29.700 0.030 0.000 1.068 11 E HN 0.126 nan 8.360 nan 0.000 0.401 12 L N 4.173 125.410 121.223 0.023 0.000 2.473 12 L HA 0.171 4.511 4.340 -0.000 0.000 0.268 12 L C 0.070 176.931 176.870 -0.015 0.000 1.215 12 L CA -0.110 54.705 54.840 -0.042 0.000 0.823 12 L CB 0.195 42.184 42.059 -0.117 0.000 1.099 12 L HN 0.499 nan 8.230 nan 0.000 0.483 13 L N 1.400 122.549 121.223 -0.124 0.000 2.341 13 L HA 0.448 4.788 4.340 -0.000 0.000 0.278 13 L C -1.120 175.646 176.870 -0.174 0.000 1.005 13 L CA -0.582 54.234 54.840 -0.039 0.000 0.818 13 L CB 1.533 43.578 42.059 -0.024 0.000 1.259 13 L HN 0.343 nan 8.230 nan 0.000 0.418 14 Y N 3.044 123.348 120.300 0.006 0.000 2.446 14 Y HA 0.666 5.216 4.550 -0.000 0.000 0.338 14 Y C 0.003 175.907 175.900 0.006 0.000 1.055 14 Y CA -0.567 57.536 58.100 0.005 0.000 1.101 14 Y CB 1.758 40.220 38.460 0.004 0.000 1.221 14 Y HN 0.315 nan 8.280 nan 0.000 0.460 15 L N 1.391 122.693 121.223 0.132 0.000 2.279 15 L HA 0.495 4.834 4.340 -0.000 0.000 0.262 15 L C 0.579 177.496 176.870 0.078 0.000 1.019 15 L CA -0.954 53.935 54.840 0.082 0.000 0.823 15 L CB 1.483 43.567 42.059 0.042 0.000 1.358 15 L HN 0.622 nan 8.230 nan 0.000 0.432 16 N N 0.226 118.961 118.700 0.058 0.000 2.305 16 N HA 0.025 4.765 4.740 -0.000 0.000 0.179 16 N C -0.042 175.488 175.510 0.034 0.000 1.019 16 N CA 0.924 54.001 53.050 0.045 0.000 0.869 16 N CB 0.575 39.087 38.487 0.041 0.000 1.000 16 N HN 0.442 nan 8.380 nan 0.000 0.431 17 K N -0.169 120.251 120.400 0.034 0.000 2.527 17 K HA 0.616 4.936 4.320 -0.000 0.000 0.260 17 K C -1.973 174.637 176.600 0.016 0.000 0.937 17 K CA -0.585 55.713 56.287 0.019 0.000 0.826 17 K CB 2.389 34.901 32.500 0.020 0.000 1.359 17 K HN -0.038 nan 8.250 nan 0.000 0.434 18 A N 2.076 124.887 122.820 -0.015 0.000 2.475 18 A HA 0.678 4.997 4.320 -0.000 0.000 0.301 18 A C -1.752 175.784 177.584 -0.080 0.000 1.059 18 A CA -0.699 51.318 52.037 -0.034 0.000 0.710 18 A CB 2.042 21.010 19.000 -0.054 0.000 1.288 18 A HN 0.420 nan 8.150 nan 0.000 0.408 19 V N 2.230 122.082 119.914 -0.104 0.000 2.656 19 V HA 0.725 4.845 4.120 -0.000 0.000 0.307 19 V C -1.337 174.576 176.094 -0.302 0.000 1.051 19 V CA -0.430 61.734 62.300 -0.226 0.000 0.893 19 V CB 1.912 33.601 31.823 -0.222 0.000 0.999 19 V HN 0.847 nan 8.190 nan 0.000 0.426 20 V N 7.399 127.071 119.914 -0.403 0.000 2.376 20 V HA 0.483 4.603 4.120 -0.000 0.000 0.287 20 V C -0.692 175.150 176.094 -0.420 0.000 1.015 20 V CA -0.382 61.711 62.300 -0.346 0.000 0.834 20 V CB 1.376 33.038 31.823 -0.267 0.000 1.001 20 V HN 0.758 nan 8.190 nan 0.000 0.428 21 F N 3.412 123.218 119.950 -0.240 0.000 2.375 21 F HA 0.707 5.234 4.527 -0.000 0.000 0.362 21 F C 0.931 176.710 175.800 -0.035 0.000 1.129 21 F CA 0.079 58.004 58.000 -0.126 0.000 1.154 21 F CB 1.445 40.189 39.000 -0.428 0.000 1.205 21 F HN 0.693 nan 8.300 nan 0.000 0.513 22 G N 1.189 110.085 108.800 0.161 0.000 2.944 22 G HA2 0.130 4.090 3.960 -0.000 0.000 0.471 22 G HA3 0.130 4.090 3.960 -0.000 0.000 0.471 22 G C -0.143 174.735 174.900 -0.036 0.000 1.388 22 G CA -0.523 44.627 45.100 0.083 0.000 1.087 22 G HN 0.713 nan 8.290 nan 0.000 0.596 23 S N 0.985 116.661 115.700 -0.039 0.000 2.574 23 S HA 0.577 5.046 4.470 -0.000 0.000 0.242 23 S C 1.326 175.920 174.600 -0.011 0.000 0.982 23 S CA 0.554 58.739 58.200 -0.025 0.000 0.977 23 S CB 0.755 64.023 63.200 0.113 0.000 0.814 23 S HN 1.657 nan 8.310 nan 0.000 0.464 24 G N 0.895 109.618 108.800 -0.128 0.000 2.570 24 G HA2 0.512 4.471 3.960 -0.000 0.000 0.276 24 G HA3 0.512 4.471 3.960 -0.000 0.000 0.276 24 G C 1.116 176.063 174.900 0.077 0.000 1.346 24 G CA -0.318 44.661 45.100 -0.201 0.000 1.034 24 G HN 0.459 nan 8.290 nan 0.000 0.512 25 A N -0.668 122.244 122.820 0.154 0.000 1.865 25 A HA -0.061 4.258 4.320 -0.000 0.000 0.217 25 A C 2.154 179.879 177.584 0.236 0.000 1.191 25 A CA 1.910 54.074 52.037 0.211 0.000 0.623 25 A CB -0.718 18.404 19.000 0.203 0.000 0.826 25 A HN 0.664 nan 8.150 nan 0.000 0.444 26 F N 0.587 120.577 119.950 0.067 0.000 2.134 26 F HA -0.054 4.473 4.527 -0.000 0.000 0.299 26 F C 2.401 178.226 175.800 0.041 0.000 1.097 26 F CA 1.086 59.127 58.000 0.069 0.000 1.264 26 F CB -0.243 38.805 39.000 0.080 0.000 1.001 26 F HN 0.297 nan 8.300 nan 0.000 0.479 27 G N -0.773 108.039 108.800 0.020 0.000 2.418 27 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.217 27 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.217 27 G C 1.548 176.378 174.900 -0.115 0.000 1.158 27 G CA 1.364 46.395 45.100 -0.116 0.000 0.771 27 G HN 0.343 nan 8.290 nan 0.000 0.545 28 T N 1.641 116.193 114.554 -0.004 0.000 2.777 28 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 28 T C 2.825 177.522 174.700 -0.006 0.000 1.040 28 T CA 1.388 63.517 62.100 0.048 0.000 1.141 28 T CB -0.356 68.617 68.868 0.174 0.000 0.868 28 T HN 0.367 nan 8.240 nan 0.000 0.444 29 A N 1.433 124.250 122.820 -0.005 0.000 1.908 29 A HA -0.023 4.297 4.320 -0.000 0.000 0.218 29 A C 2.269 179.750 177.584 -0.172 0.000 1.181 29 A CA 1.299 53.318 52.037 -0.031 0.000 0.627 29 A CB -0.899 18.145 19.000 0.073 0.000 0.818 29 A HN 0.487 nan 8.150 nan 0.000 0.445 30 L N -0.953 120.094 121.223 -0.293 0.000 2.201 30 L HA -0.141 4.199 4.340 -0.000 0.000 0.212 30 L C 2.995 179.698 176.870 -0.278 0.000 1.105 30 L CA 0.758 55.365 54.840 -0.389 0.000 0.775 30 L CB -0.462 41.305 42.059 -0.486 0.000 0.913 30 L HN 0.448 nan 8.230 nan 0.000 0.440 31 A N -0.353 122.350 122.820 -0.195 0.000 1.930 31 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 31 A C 2.328 179.843 177.584 -0.114 0.000 1.175 31 A CA 1.256 53.206 52.037 -0.144 0.000 0.627 31 A CB -0.280 18.658 19.000 -0.104 0.000 0.815 31 A HN 0.231 nan 8.150 nan 0.000 0.443 32 M N -0.470 119.068 119.600 -0.103 0.000 2.117 32 M HA -0.091 4.389 4.480 -0.000 0.000 0.262 32 M C 2.219 178.442 176.300 -0.129 0.000 1.065 32 M CA 1.188 56.439 55.300 -0.081 0.000 1.114 32 M CB -1.226 31.340 32.600 -0.055 0.000 1.361 32 M HN 0.248 nan 8.290 nan 0.000 0.408 33 V N 0.704 120.479 119.914 -0.232 0.000 2.295 33 V HA -0.260 3.860 4.120 -0.000 0.000 0.246 33 V C 2.487 178.452 176.094 -0.216 0.000 1.049 33 V CA 1.512 63.620 62.300 -0.320 0.000 1.024 33 V CB -0.653 30.765 31.823 -0.674 0.000 0.648 33 V HN 0.400 nan 8.190 nan 0.000 0.447 34 L N 0.792 121.899 121.223 -0.194 0.000 2.201 34 L HA -0.119 4.221 4.340 -0.000 0.000 0.212 34 L C 2.600 179.425 176.870 -0.075 0.000 1.105 34 L CA 1.519 56.280 54.840 -0.131 0.000 0.775 34 L CB -0.665 41.318 42.059 -0.128 0.000 0.913 34 L HN 0.540 nan 8.230 nan 0.000 0.440 35 S N -0.382 115.279 115.700 -0.064 0.000 2.500 35 S HA -0.171 4.299 4.470 -0.000 0.000 0.239 35 S C 1.650 176.251 174.600 0.002 0.000 0.989 35 S CA 0.851 59.036 58.200 -0.025 0.000 0.951 35 S CB -0.280 62.908 63.200 -0.020 0.000 0.759 35 S HN 0.464 nan 8.310 nan 0.000 0.523 36 K N 0.115 120.511 120.400 -0.005 0.000 2.374 36 K HA 0.263 4.583 4.320 -0.000 0.000 0.196 36 K C 1.015 177.667 176.600 0.087 0.000 1.023 36 K CA 0.066 56.378 56.287 0.041 0.000 1.103 36 K CB 0.289 32.803 32.500 0.024 0.000 0.848 36 K HN 0.136 nan 8.250 nan 0.000 0.528 37 K N -0.388 120.029 120.400 0.029 0.000 2.521 37 K HA 0.192 4.512 4.320 -0.000 0.000 0.213 37 K C -0.399 176.245 176.600 0.074 0.000 1.223 37 K CA 0.070 56.348 56.287 -0.015 0.000 1.013 37 K CB 1.124 33.497 32.500 -0.212 0.000 1.017 37 K HN -0.019 nan 8.250 nan 0.000 0.591 38 C N 1.185 120.519 119.300 0.057 0.000 2.431 38 C HA 0.397 4.857 4.460 -0.000 0.000 0.321 38 C C 1.816 176.835 174.990 0.047 0.000 1.202 38 C CA -1.012 58.036 59.018 0.050 0.000 1.398 38 C CB 2.031 29.773 27.740 0.004 0.000 2.047 38 C HN 0.437 nan 8.230 nan 0.000 0.465 39 R N 1.696 122.227 120.500 0.052 0.000 2.103 39 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 39 R C 0.653 176.962 176.300 0.016 0.000 1.142 39 R CA 1.832 57.952 56.100 0.033 0.000 0.960 39 R CB 0.186 30.503 30.300 0.028 0.000 0.858 39 R HN 0.851 nan 8.270 nan 0.000 0.439 40 E N -0.588 119.617 120.200 0.009 0.000 2.248 40 E HA 0.368 4.718 4.350 -0.000 0.000 0.267 40 E C -1.750 174.838 176.600 -0.020 0.000 0.877 40 E CA -0.909 55.488 56.400 -0.005 0.000 0.759 40 E CB 2.134 31.830 29.700 -0.007 0.000 1.182 40 E HN -0.021 nan 8.360 nan 0.000 0.418 41 V N 3.894 123.789 119.914 -0.032 0.000 2.569 41 V HA 0.326 4.445 4.120 -0.000 0.000 0.301 41 V C -0.607 175.437 176.094 -0.082 0.000 1.044 41 V CA -0.851 61.411 62.300 -0.062 0.000 0.874 41 V CB 1.418 33.202 31.823 -0.065 0.000 1.002 41 V HN 0.847 nan 8.190 nan 0.000 0.424 42 C N 4.669 123.892 119.300 -0.128 0.000 2.341 42 C HA 0.741 5.201 4.460 -0.000 0.000 0.338 42 C C 0.257 175.074 174.990 -0.289 0.000 1.257 42 C CA -0.589 58.328 59.018 -0.167 0.000 1.883 42 C CB 1.329 28.974 27.740 -0.158 0.000 2.334 42 C HN 0.649 nan 8.230 nan 0.000 0.524 43 V N 3.124 122.808 119.914 -0.383 0.000 2.349 43 V HA 0.231 4.350 4.120 -0.000 0.000 0.284 43 V C -0.492 175.274 176.094 -0.546 0.000 1.014 43 V CA -0.487 61.440 62.300 -0.623 0.000 0.826 43 V CB 0.871 31.992 31.823 -1.169 0.000 1.009 43 V HN 0.938 nan 8.190 nan 0.000 0.431 44 W N 5.829 126.797 121.300 -0.552 0.000 2.266 44 W HA 0.527 5.187 4.660 -0.000 0.000 0.317 44 W C -0.219 176.230 176.519 -0.118 0.000 1.310 44 W CA 0.200 57.358 57.345 -0.311 0.000 1.207 44 W CB 0.409 29.669 29.460 -0.333 0.000 1.199 44 W HN 0.710 nan 8.180 nan 0.000 0.544 45 H N 6.644 125.089 119.070 -1.043 0.000 2.877 45 H HA 0.163 4.719 4.556 -0.000 0.000 0.347 45 H C 1.131 175.796 175.328 -1.104 0.000 1.042 45 H CA -0.448 55.056 56.048 -0.907 0.000 1.276 45 H CB 1.570 31.178 29.762 -0.256 0.000 1.681 45 H HN 0.589 nan 8.280 nan 0.000 0.521 46 M N 2.141 120.827 119.600 -1.523 0.000 2.065 46 M HA -0.071 4.408 4.480 -0.000 0.000 0.259 46 M C 0.544 176.576 176.300 -0.446 0.000 1.069 46 M CA 1.422 56.227 55.300 -0.827 0.000 1.110 46 M CB -0.244 32.050 32.600 -0.510 0.000 1.328 46 M HN 0.383 nan 8.290 nan 0.000 0.405 47 N N 2.133 120.528 118.700 -0.509 0.000 2.416 47 N HA -0.056 4.684 4.740 -0.000 0.000 0.271 47 N C 0.445 175.955 175.510 -0.001 0.000 1.245 47 N CA 0.317 53.272 53.050 -0.159 0.000 0.940 47 N CB 1.091 39.545 38.487 -0.054 0.000 1.175 47 N HN 0.354 nan 8.380 nan 0.000 0.483 48 E N 3.545 123.742 120.200 -0.006 0.000 2.110 48 E HA -0.220 4.129 4.350 -0.000 0.000 0.193 48 E C 1.377 177.999 176.600 0.037 0.000 0.988 48 E CA 1.553 57.968 56.400 0.026 0.000 0.804 48 E CB -0.058 29.655 29.700 0.021 0.000 0.745 48 E HN 0.772 nan 8.360 nan 0.000 0.458 49 E N 0.101 120.318 120.200 0.027 0.000 2.085 49 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 49 E C 1.826 178.438 176.600 0.019 0.000 0.994 49 E CA 1.488 57.898 56.400 0.017 0.000 0.801 49 E CB -0.076 29.630 29.700 0.010 0.000 0.743 49 E HN 0.433 nan 8.360 nan 0.000 0.453 50 E N -0.168 120.065 120.200 0.055 0.000 2.152 50 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 50 E C 2.188 178.787 176.600 -0.001 0.000 0.983 50 E CA 0.870 57.292 56.400 0.036 0.000 0.818 50 E CB 0.198 29.979 29.700 0.135 0.000 0.758 50 E HN 0.149 nan 8.360 nan 0.000 0.467 51 V N 1.430 121.399 119.914 0.092 0.000 2.295 51 V HA -0.282 3.837 4.120 -0.000 0.000 0.246 51 V C 2.250 178.341 176.094 -0.004 0.000 1.049 51 V CA 1.860 64.210 62.300 0.084 0.000 1.024 51 V CB -0.452 31.450 31.823 0.133 0.000 0.648 51 V HN 0.202 nan 8.190 nan 0.000 0.447 52 R N -0.551 119.948 120.500 -0.002 0.000 2.091 52 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 52 R C 2.236 178.498 176.300 -0.062 0.000 1.136 52 R CA 1.687 57.773 56.100 -0.024 0.000 0.959 52 R CB -0.674 29.618 30.300 -0.013 0.000 0.856 52 R HN 0.384 nan 8.270 nan 0.000 0.437 53 L N 0.819 121.996 121.223 -0.076 0.000 1.989 53 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 53 L C 2.129 178.902 176.870 -0.162 0.000 1.071 53 L CA 1.686 56.464 54.840 -0.104 0.000 0.749 53 L CB -0.527 41.470 42.059 -0.103 0.000 0.890 53 L HN -0.073 nan 8.230 nan 0.000 0.431 54 V N 0.572 120.340 119.914 -0.243 0.000 2.332 54 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 54 V C 2.382 178.277 176.094 -0.331 0.000 1.055 54 V CA 2.082 64.141 62.300 -0.401 0.000 1.038 54 V CB -0.960 30.392 31.823 -0.784 0.000 0.651 54 V HN 0.561 nan 8.190 nan 0.000 0.450 55 N N -0.263 118.305 118.700 -0.221 0.000 2.309 55 N HA -0.133 4.606 4.740 -0.000 0.000 0.182 55 N C 1.794 177.246 175.510 -0.097 0.000 1.018 55 N CA 1.164 54.139 53.050 -0.125 0.000 0.876 55 N CB -0.052 38.407 38.487 -0.046 0.000 0.972 55 N HN 0.641 nan 8.380 nan 0.000 0.434 56 E N 1.107 121.249 120.200 -0.097 0.000 2.016 56 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 56 E C 1.232 177.783 176.600 -0.082 0.000 0.985 56 E CA 0.843 57.199 56.400 -0.074 0.000 0.802 56 E CB 0.015 29.675 29.700 -0.066 0.000 0.762 56 E HN 0.253 nan 8.360 nan 0.000 0.448 57 K N 0.583 120.921 120.400 -0.104 0.000 2.525 57 K HA 0.065 4.385 4.320 -0.000 0.000 0.192 57 K C -0.166 176.368 176.600 -0.109 0.000 1.029 57 K CA -0.035 56.192 56.287 -0.100 0.000 1.029 57 K CB 0.274 32.709 32.500 -0.109 0.000 0.814 57 K HN -0.052 nan 8.250 nan 0.000 0.503 58 R N 1.485 121.911 120.500 -0.123 0.000 3.387 58 R HA -0.204 4.136 4.340 -0.000 0.000 0.254 58 R C -0.536 175.684 176.300 -0.133 0.000 1.006 58 R CA 0.995 57.024 56.100 -0.118 0.000 0.677 58 R CB -2.317 27.940 30.300 -0.071 0.000 1.063 58 R HN 0.625 nan 8.270 nan 0.000 0.453 59 E N -0.114 119.970 120.200 -0.193 0.000 2.388 59 E HA 0.123 4.473 4.350 -0.000 0.000 0.289 59 E C -1.077 175.367 176.600 -0.261 0.000 0.944 59 E CA -0.601 55.692 56.400 -0.179 0.000 0.792 59 E CB 0.967 30.594 29.700 -0.120 0.000 1.239 59 E HN 0.046 nan 8.360 nan 0.000 0.412 60 N N 4.550 123.103 118.700 -0.245 0.000 2.671 60 N HA 0.011 4.750 4.740 -0.000 0.000 0.274 60 N C 1.002 176.409 175.510 -0.171 0.000 1.188 60 N CA 0.232 53.128 53.050 -0.258 0.000 1.065 60 N CB 0.606 39.051 38.487 -0.070 0.000 1.415 60 N HN 0.467 nan 8.380 nan 0.000 0.511 61 V N 1.240 121.030 119.914 -0.208 0.000 3.241 61 V HA -0.096 4.024 4.120 -0.000 0.000 0.269 61 V C 1.773 177.722 176.094 -0.241 0.000 1.151 61 V CA 1.007 63.198 62.300 -0.181 0.000 1.158 61 V CB -0.657 31.067 31.823 -0.164 0.000 0.764 61 V HN 0.404 nan 8.190 nan 0.000 0.508 62 L N -1.367 119.658 121.223 -0.330 0.000 2.102 62 L HA 0.261 4.601 4.340 -0.000 0.000 0.202 62 L C 1.842 178.154 176.870 -0.930 0.000 1.076 62 L CA 1.450 55.894 54.840 -0.661 0.000 0.761 62 L CB -0.215 41.397 42.059 -0.744 0.000 0.921 62 L HN 0.366 nan 8.230 nan 0.000 0.444 63 F N -1.680 118.259 119.950 -0.018 0.000 2.838 63 F HA 0.307 4.834 4.527 -0.000 0.000 0.329 63 F C 0.193 176.008 175.800 0.024 0.000 1.116 63 F CA -0.141 57.871 58.000 0.020 0.000 1.155 63 F CB 0.903 39.936 39.000 0.056 0.000 1.106 63 F HN -0.175 nan 8.300 nan 0.000 0.538 64 L N 1.327 122.612 121.223 0.105 0.000 2.625 64 L HA 0.327 4.667 4.340 -0.000 0.000 0.295 64 L C -0.278 176.598 176.870 0.010 0.000 1.368 64 L CA -0.150 54.736 54.840 0.077 0.000 0.685 64 L CB -0.001 42.121 42.059 0.104 0.000 1.012 64 L HN -0.152 nan 8.230 nan 0.000 0.523 65 K N 0.151 120.538 120.400 -0.021 0.000 2.485 65 K HA 0.476 4.796 4.320 -0.000 0.000 0.277 65 K C 1.210 177.794 176.600 -0.026 0.000 0.990 65 K CA 0.922 57.182 56.287 -0.044 0.000 0.994 65 K CB 0.349 32.814 32.500 -0.058 0.000 0.906 65 K HN 0.500 nan 8.250 nan 0.000 0.488 66 G N 0.625 109.406 108.800 -0.032 0.000 2.213 66 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.236 66 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.236 66 G C -0.132 174.761 174.900 -0.012 0.000 0.991 66 G CA -0.121 44.966 45.100 -0.020 0.000 0.629 66 G HN 0.416 nan 8.290 nan 0.000 0.517 67 V N 1.816 121.723 119.914 -0.012 0.000 2.347 67 V HA 0.518 4.638 4.120 -0.000 0.000 0.280 67 V C 0.509 176.593 176.094 -0.017 0.000 1.021 67 V CA -0.530 61.768 62.300 -0.003 0.000 0.847 67 V CB 1.667 33.499 31.823 0.014 0.000 0.990 67 V HN 0.429 nan 8.190 nan 0.000 0.444 68 Q N 4.081 123.871 119.800 -0.016 0.000 2.288 68 Q HA 0.445 4.784 4.340 -0.000 0.000 0.258 68 Q C -0.771 175.219 176.000 -0.016 0.000 0.957 68 Q CA -0.407 55.381 55.803 -0.025 0.000 0.919 68 Q CB 0.897 29.623 28.738 -0.020 0.000 1.185 68 Q HN 0.657 nan 8.270 nan 0.000 0.408 69 L N 2.776 123.983 121.223 -0.025 0.000 2.417 69 L HA 0.318 4.658 4.340 -0.000 0.000 0.268 69 L C 0.454 177.323 176.870 -0.002 0.000 1.158 69 L CA -0.592 54.245 54.840 -0.005 0.000 0.819 69 L CB 0.712 42.769 42.059 -0.003 0.000 1.112 69 L HN 0.705 nan 8.230 nan 0.000 0.458 70 A N 1.667 124.492 122.820 0.007 0.000 2.520 70 A HA 0.120 4.439 4.320 -0.000 0.000 0.235 70 A C 1.316 178.903 177.584 0.007 0.000 1.065 70 A CA 0.316 52.356 52.037 0.005 0.000 0.764 70 A CB 0.280 19.283 19.000 0.005 0.000 1.002 70 A HN 0.935 nan 8.150 nan 0.000 0.502 71 S N 1.209 116.911 115.700 0.003 0.000 2.469 71 S HA -0.170 4.300 4.470 -0.000 0.000 0.238 71 S C 0.988 175.592 174.600 0.007 0.000 0.998 71 S CA 1.193 59.394 58.200 0.002 0.000 0.957 71 S CB -0.486 62.713 63.200 -0.001 0.000 0.764 71 S HN 0.919 nan 8.310 nan 0.000 0.514 72 N N 1.214 119.919 118.700 0.008 0.000 2.313 72 N HA 0.198 4.938 4.740 -0.000 0.000 0.207 72 N C -0.267 175.250 175.510 0.010 0.000 1.141 72 N CA -0.241 52.814 53.050 0.008 0.000 0.830 72 N CB -0.383 38.108 38.487 0.007 0.000 1.008 72 N HN 0.488 nan 8.380 nan 0.000 0.481 73 I N 0.776 121.361 120.570 0.026 0.000 2.362 73 I HA 0.232 4.402 4.170 -0.000 0.000 0.289 73 I C -0.547 175.625 176.117 0.092 0.000 0.994 73 I CA -0.424 60.905 61.300 0.049 0.000 1.158 73 I CB 1.753 39.799 38.000 0.077 0.000 1.315 73 I HN -0.123 nan 8.210 nan 0.000 0.451 74 T N 5.871 120.475 114.554 0.085 0.000 2.840 74 T HA 0.466 4.816 4.350 -0.000 0.000 0.287 74 T C -0.404 174.391 174.700 0.158 0.000 0.991 74 T CA -0.447 61.725 62.100 0.121 0.000 0.964 74 T CB 0.845 69.742 68.868 0.047 0.000 0.954 74 T HN 0.037 nan 8.240 nan 0.000 0.438 75 F N 2.129 122.047 119.950 -0.052 0.000 2.382 75 F HA 0.641 5.168 4.527 -0.000 0.000 0.331 75 F C 1.188 176.967 175.800 -0.035 0.000 1.121 75 F CA -0.124 57.843 58.000 -0.055 0.000 1.183 75 F CB 1.415 40.370 39.000 -0.074 0.000 1.207 75 F HN 0.467 nan 8.300 nan 0.000 0.555 76 T N -0.375 114.222 114.554 0.072 0.000 2.957 76 T HA 0.339 4.689 4.350 -0.000 0.000 0.336 76 T C 0.023 174.745 174.700 0.037 0.000 1.462 76 T CA -0.158 61.983 62.100 0.070 0.000 1.073 76 T CB 1.017 69.925 68.868 0.066 0.000 1.319 76 T HN 0.600 nan 8.240 nan 0.000 0.485 77 S N 1.668 117.408 115.700 0.066 0.000 2.540 77 S HA 0.234 4.704 4.470 -0.000 0.000 0.218 77 S C 0.215 175.034 174.600 0.365 0.000 0.977 77 S CA -0.260 57.965 58.200 0.043 0.000 0.918 77 S CB 0.115 63.320 63.200 0.008 0.000 0.806 77 S HN 0.681 nan 8.310 nan 0.000 0.496 78 D N 1.917 122.510 120.400 0.321 0.000 2.428 78 D HA 0.257 4.897 4.640 -0.000 0.000 0.221 78 D C 1.235 177.712 176.300 0.295 0.000 1.123 78 D CA -0.195 53.964 54.000 0.265 0.000 0.869 78 D CB 1.579 42.446 40.800 0.113 0.000 1.032 78 D HN -0.001 nan 8.370 nan 0.000 0.506 79 V N 4.369 124.454 119.914 0.285 0.000 2.324 79 V HA -0.248 3.872 4.120 -0.000 0.000 0.250 79 V C 2.265 178.462 176.094 0.171 0.000 1.060 79 V CA 1.528 63.927 62.300 0.164 0.000 1.042 79 V CB -0.224 31.579 31.823 -0.033 0.000 0.650 79 V HN 0.550 nan 8.190 nan 0.000 0.450 80 E N 0.370 120.576 120.200 0.010 0.000 2.031 80 E HA -0.208 4.142 4.350 -0.000 0.000 0.193 80 E C 2.228 178.510 176.600 -0.530 0.000 0.994 80 E CA 1.264 57.483 56.400 -0.301 0.000 0.800 80 E CB -0.351 29.255 29.700 -0.157 0.000 0.752 80 E HN 0.597 nan 8.360 nan 0.000 0.447 81 K N 0.733 120.990 120.400 -0.238 0.000 2.147 81 K HA -0.033 4.286 4.320 -0.000 0.000 0.205 81 K C 2.176 178.651 176.600 -0.208 0.000 1.049 81 K CA 0.947 57.107 56.287 -0.211 0.000 0.936 81 K CB -0.135 32.311 32.500 -0.090 0.000 0.722 81 K HN 0.054 nan 8.250 nan 0.000 0.446 82 A N 1.575 124.319 122.820 -0.126 0.000 1.851 82 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 82 A C 2.170 179.680 177.584 -0.124 0.000 1.195 82 A CA 1.887 53.853 52.037 -0.119 0.000 0.622 82 A CB -0.928 18.008 19.000 -0.106 0.000 0.831 82 A HN 0.552 nan 8.150 nan 0.000 0.444 83 Y N -0.229 120.066 120.300 -0.009 0.000 2.519 83 Y HA 0.198 4.748 4.550 -0.000 0.000 0.287 83 Y C 0.667 176.460 175.900 -0.179 0.000 1.128 83 Y CA -0.415 57.691 58.100 0.011 0.000 1.282 83 Y CB -1.177 37.403 38.460 0.200 0.000 1.027 83 Y HN 0.275 nan 8.280 nan 0.000 0.551 84 N N 1.876 120.146 118.700 -0.716 0.000 2.374 84 N HA 0.172 4.911 4.740 -0.000 0.000 0.269 84 N C 1.257 176.619 175.510 -0.246 0.000 1.310 84 N CA 1.748 54.428 53.050 -0.617 0.000 0.877 84 N CB 0.042 38.222 38.487 -0.511 0.000 1.096 84 N HN 0.777 nan 8.380 nan 0.000 0.484 85 G N 1.784 110.510 108.800 -0.122 0.000 2.225 85 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.254 85 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.254 85 G C 0.356 175.362 174.900 0.178 0.000 0.988 85 G CA 0.308 45.462 45.100 0.090 0.000 0.625 85 G HN 1.052 nan 8.290 nan 0.000 0.527 86 A N 0.187 123.122 122.820 0.192 0.000 2.531 86 A HA 0.536 4.855 4.320 -0.000 0.000 0.236 86 A C 0.907 178.627 177.584 0.227 0.000 1.062 86 A CA 1.366 53.515 52.037 0.187 0.000 0.760 86 A CB 0.132 19.243 19.000 0.186 0.000 0.995 86 A HN 0.561 nan 8.150 nan 0.000 0.501 87 E N 0.445 120.720 120.200 0.125 0.000 2.498 87 E HA 0.383 4.733 4.350 -0.000 0.000 0.203 87 E C -0.349 176.287 176.600 0.061 0.000 1.013 87 E CA 0.149 56.602 56.400 0.089 0.000 0.927 87 E CB 0.530 30.268 29.700 0.064 0.000 1.012 87 E HN 0.626 nan 8.360 nan 0.000 0.482 88 I N 0.710 121.319 120.570 0.064 0.000 2.753 88 I HA 0.313 4.482 4.170 -0.000 0.000 0.291 88 I C -1.925 174.214 176.117 0.035 0.000 1.425 88 I CA -0.777 60.548 61.300 0.041 0.000 1.039 88 I CB 1.714 39.721 38.000 0.011 0.000 1.349 88 I HN -0.138 nan 8.210 nan 0.000 0.430 89 I N 7.365 127.955 120.570 0.032 0.000 2.436 89 I HA 0.407 4.577 4.170 -0.000 0.000 0.289 89 I C -1.307 174.747 176.117 -0.105 0.000 1.010 89 I CA -0.715 60.566 61.300 -0.031 0.000 1.098 89 I CB 1.890 39.896 38.000 0.010 0.000 1.266 89 I HN 0.304 nan 8.210 nan 0.000 0.434 90 L N 6.442 127.550 121.223 -0.192 0.000 2.329 90 L HA 0.527 4.867 4.340 -0.000 0.000 0.279 90 L C -0.954 175.761 176.870 -0.258 0.000 1.014 90 L CA -0.054 54.703 54.840 -0.138 0.000 0.814 90 L CB 1.307 43.300 42.059 -0.109 0.000 1.257 90 L HN 0.292 nan 8.230 nan 0.000 0.424 91 F N 2.868 122.890 119.950 0.120 0.000 2.426 91 F HA 0.489 5.015 4.527 -0.000 0.000 0.348 91 F C 0.538 176.397 175.800 0.099 0.000 1.124 91 F CA -0.478 57.590 58.000 0.112 0.000 1.008 91 F CB 1.532 40.609 39.000 0.129 0.000 1.139 91 F HN 0.093 nan 8.300 nan 0.000 0.452 92 V N 4.027 124.084 119.914 0.238 0.000 3.261 92 V HA 0.205 4.325 4.120 -0.000 0.000 0.330 92 V C 0.366 176.569 176.094 0.181 0.000 1.461 92 V CA -0.355 62.062 62.300 0.195 0.000 1.127 92 V CB -0.477 31.415 31.823 0.114 0.000 1.044 92 V HN 0.572 nan 8.190 nan 0.000 0.499 93 I N 2.907 123.596 120.570 0.198 0.000 2.648 93 I HA 0.148 4.318 4.170 -0.000 0.000 0.284 93 I C -1.974 174.261 176.117 0.197 0.000 1.153 93 I CA -1.301 60.106 61.300 0.178 0.000 1.426 93 I CB 0.712 38.774 38.000 0.103 0.000 1.381 93 I HN 0.068 nan 8.210 nan 0.000 0.571 94 P HA -0.014 nan 4.420 nan 0.000 0.266 94 P C 0.666 178.034 177.300 0.113 0.000 1.193 94 P CA 0.160 63.363 63.100 0.172 0.000 0.770 94 P CB 0.459 32.293 31.700 0.223 0.000 0.836 95 T N 1.267 115.847 114.554 0.044 0.000 2.653 95 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 95 T C 1.704 176.373 174.700 -0.051 0.000 1.035 95 T CA 1.647 63.754 62.100 0.011 0.000 1.154 95 T CB -0.567 68.292 68.868 -0.016 0.000 0.862 95 T HN 0.611 nan 8.240 nan 0.000 0.441 96 Q N 0.491 120.171 119.800 -0.200 0.000 2.291 96 Q HA -0.077 4.262 4.340 -0.000 0.000 0.206 96 Q C 1.480 177.283 176.000 -0.329 0.000 0.976 96 Q CA 1.522 57.121 55.803 -0.340 0.000 0.875 96 Q CB -0.688 27.707 28.738 -0.571 0.000 0.927 96 Q HN 0.632 nan 8.270 nan 0.000 0.450 97 F N -0.143 119.859 119.950 0.085 0.000 2.704 97 F HA 0.237 4.763 4.527 -0.000 0.000 0.304 97 F C 2.018 177.899 175.800 0.135 0.000 1.094 97 F CA -0.558 57.508 58.000 0.110 0.000 1.275 97 F CB 0.255 39.327 39.000 0.119 0.000 1.073 97 F HN -0.092 nan 8.300 nan 0.000 0.586 98 L N 0.523 121.898 121.223 0.254 0.000 1.971 98 L HA -0.295 4.045 4.340 -0.000 0.000 0.215 98 L C 2.846 179.903 176.870 0.312 0.000 1.072 98 L CA 1.780 56.770 54.840 0.249 0.000 0.758 98 L CB -0.408 41.760 42.059 0.182 0.000 0.889 98 L HN 0.157 nan 8.230 nan 0.000 0.433 99 R N -0.320 120.315 120.500 0.224 0.000 2.083 99 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 99 R C 2.156 178.558 176.300 0.170 0.000 1.137 99 R CA 1.701 57.927 56.100 0.210 0.000 0.951 99 R CB -0.631 29.783 30.300 0.191 0.000 0.851 99 R HN 0.470 nan 8.270 nan 0.000 0.434 100 G N 0.110 109.017 108.800 0.179 0.000 2.442 100 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.219 100 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.219 100 G C 1.263 176.211 174.900 0.079 0.000 1.141 100 G CA 0.716 45.901 45.100 0.141 0.000 0.763 100 G HN 0.441 nan 8.290 nan 0.000 0.554 101 F N 0.711 120.636 119.950 -0.042 0.000 2.102 101 F HA 0.064 4.591 4.527 -0.000 0.000 0.298 101 F C 2.252 177.804 175.800 -0.414 0.000 1.105 101 F CA 1.220 59.082 58.000 -0.230 0.000 1.239 101 F CB -0.205 38.603 39.000 -0.321 0.000 0.991 101 F HN 0.121 nan 8.300 nan 0.000 0.474 102 F N 1.079 120.789 119.950 -0.401 0.000 2.186 102 F HA -0.132 4.395 4.527 -0.000 0.000 0.299 102 F C 2.368 177.803 175.800 -0.609 0.000 1.090 102 F CA 1.776 59.322 58.000 -0.757 0.000 1.307 102 F CB -0.662 37.447 39.000 -1.485 0.000 1.019 102 F HN 0.034 nan 8.300 nan 0.000 0.489 103 E N 0.016 120.097 120.200 -0.199 0.000 2.072 103 E HA -0.218 4.132 4.350 -0.000 0.000 0.191 103 E C 2.033 178.568 176.600 -0.108 0.000 0.985 103 E CA 1.143 57.520 56.400 -0.039 0.000 0.801 103 E CB -0.180 29.560 29.700 0.067 0.000 0.750 103 E HN 0.307 nan 8.360 nan 0.000 0.452 104 K N 0.025 120.319 120.400 -0.176 0.000 2.262 104 K HA 0.052 4.372 4.320 -0.000 0.000 0.200 104 K C 0.967 177.389 176.600 -0.296 0.000 1.049 104 K CA 0.928 57.107 56.287 -0.180 0.000 0.979 104 K CB 0.459 32.889 32.500 -0.117 0.000 0.773 104 K HN -0.067 nan 8.250 nan 0.000 0.474 105 S N -1.246 114.116 115.700 -0.564 0.000 2.817 105 S HA 0.157 4.627 4.470 -0.000 0.000 0.262 105 S C 0.807 174.920 174.600 -0.811 0.000 1.051 105 S CA -0.164 57.624 58.200 -0.687 0.000 1.185 105 S CB 1.602 64.267 63.200 -0.892 0.000 1.152 105 S HN 0.385 nan 8.310 nan 0.000 0.653 106 G N 1.254 109.596 108.800 -0.762 0.000 3.088 106 G HA2 0.358 4.318 3.960 -0.000 0.000 0.217 106 G HA3 0.358 4.318 3.960 -0.000 0.000 0.217 106 G C 1.191 175.931 174.900 -0.267 0.000 1.159 106 G CA 0.372 45.117 45.100 -0.592 0.000 0.760 106 G HN 0.459 nan 8.290 nan 0.000 0.550 107 G N 1.967 110.653 108.800 -0.190 0.000 2.672 107 G HA2 -0.348 3.611 3.960 -0.000 0.000 0.218 107 G HA3 -0.348 3.611 3.960 -0.000 0.000 0.218 107 G C 1.683 176.552 174.900 -0.052 0.000 1.238 107 G CA 1.196 46.251 45.100 -0.075 0.000 0.791 107 G HN 0.415 nan 8.290 nan 0.000 0.606 108 N N 0.330 119.003 118.700 -0.046 0.000 2.188 108 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 108 N C 2.135 177.578 175.510 -0.113 0.000 1.018 108 N CA 1.074 54.134 53.050 0.017 0.000 0.858 108 N CB -0.401 38.164 38.487 0.130 0.000 0.989 108 N HN 0.269 nan 8.380 nan 0.000 0.426 109 L N 1.968 122.964 121.223 -0.379 0.000 1.990 109 L HA -0.114 4.226 4.340 -0.000 0.000 0.213 109 L C 2.011 178.714 176.870 -0.279 0.000 1.072 109 L CA 1.438 55.792 54.840 -0.810 0.000 0.755 109 L CB -0.918 40.736 42.059 -0.675 0.000 0.889 109 L HN 0.073 nan 8.230 nan 0.000 0.432 110 I N -0.279 120.231 120.570 -0.101 0.000 2.163 110 I HA -0.335 3.834 4.170 -0.000 0.000 0.243 110 I C 2.639 178.775 176.117 0.032 0.000 1.085 110 I CA 1.386 62.707 61.300 0.036 0.000 1.347 110 I CB -0.780 37.278 38.000 0.097 0.000 1.044 110 I HN 0.416 nan 8.210 nan 0.000 0.408 111 A N 0.261 123.099 122.820 0.031 0.000 1.883 111 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 111 A C 2.323 179.957 177.584 0.084 0.000 1.186 111 A CA 1.903 53.973 52.037 0.056 0.000 0.624 111 A CB -1.167 17.874 19.000 0.067 0.000 0.822 111 A HN 0.540 nan 8.150 nan 0.000 0.444 112 Y N 0.727 121.012 120.300 -0.025 0.000 2.097 112 Y HA -0.145 4.405 4.550 -0.000 0.000 0.282 112 Y C 2.674 178.587 175.900 0.020 0.000 1.152 112 Y CA 1.475 59.590 58.100 0.025 0.000 1.136 112 Y CB -0.790 37.709 38.460 0.066 0.000 0.975 112 Y HN 0.310 nan 8.280 nan 0.000 0.498 113 A N 0.489 123.262 122.820 -0.078 0.000 1.917 113 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 113 A C 2.239 179.755 177.584 -0.114 0.000 1.182 113 A CA 2.302 54.264 52.037 -0.125 0.000 0.633 113 A CB -0.640 18.384 19.000 0.040 0.000 0.819 113 A HN 0.581 nan 8.150 nan 0.000 0.448 114 K N -0.919 119.450 120.400 -0.050 0.000 2.025 114 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 114 K C 2.170 178.736 176.600 -0.057 0.000 1.049 114 K CA 1.382 57.649 56.287 -0.034 0.000 0.933 114 K CB -0.153 32.344 32.500 -0.004 0.000 0.714 114 K HN 0.503 nan 8.250 nan 0.000 0.438 115 E N 1.692 121.858 120.200 -0.058 0.000 2.033 115 E HA -0.194 4.156 4.350 -0.000 0.000 0.199 115 E C 1.304 177.846 176.600 -0.096 0.000 1.011 115 E CA 1.716 58.087 56.400 -0.049 0.000 0.815 115 E CB 0.104 29.803 29.700 -0.002 0.000 0.755 115 E HN -0.031 nan 8.360 nan 0.000 0.451 116 K N 0.394 120.662 120.400 -0.220 0.000 2.444 116 K HA 0.064 4.383 4.320 -0.000 0.000 0.193 116 K C -0.002 176.496 176.600 -0.171 0.000 1.024 116 K CA 0.220 56.367 56.287 -0.233 0.000 1.077 116 K CB 0.372 32.599 32.500 -0.454 0.000 0.833 116 K HN 0.223 nan 8.250 nan 0.000 0.517 117 Q N 0.002 119.721 119.800 -0.134 0.000 2.453 117 Q HA -0.152 4.187 4.340 -0.000 0.000 0.294 117 Q C -0.577 175.381 176.000 -0.070 0.000 1.295 117 Q CA 0.460 56.217 55.803 -0.076 0.000 0.853 117 Q CB -2.454 26.257 28.738 -0.045 0.000 1.193 117 Q HN 0.065 nan 8.270 nan 0.000 0.461 118 V N 2.272 122.122 119.914 -0.106 0.000 2.508 118 V HA 0.193 4.313 4.120 -0.000 0.000 0.281 118 V C -1.198 174.903 176.094 0.012 0.000 1.041 118 V CA -0.900 61.368 62.300 -0.054 0.000 1.016 118 V CB 0.789 32.569 31.823 -0.072 0.000 0.984 118 V HN 0.157 nan 8.190 nan 0.000 0.478 119 P HA 0.149 nan 4.420 nan 0.000 0.268 119 P C -0.793 176.556 177.300 0.082 0.000 1.204 119 P CA 0.088 63.217 63.100 0.049 0.000 0.768 119 P CB 1.139 32.861 31.700 0.037 0.000 0.842 120 V N 4.755 124.739 119.914 0.116 0.000 2.495 120 V HA 0.289 4.409 4.120 -0.000 0.000 0.298 120 V C 0.101 176.299 176.094 0.175 0.000 1.031 120 V CA -0.709 61.703 62.300 0.186 0.000 0.871 120 V CB 1.655 33.659 31.823 0.301 0.000 0.988 120 V HN 0.407 nan 8.190 nan 0.000 0.432 121 L N 6.477 127.802 121.223 0.170 0.000 2.319 121 L HA 0.608 4.948 4.340 -0.000 0.000 0.281 121 L C -0.377 176.621 176.870 0.213 0.000 1.005 121 L CA -0.041 54.889 54.840 0.151 0.000 0.828 121 L CB 1.719 43.833 42.059 0.091 0.000 1.227 121 L HN 0.451 nan 8.230 nan 0.000 0.415 122 V N 5.414 125.458 119.914 0.217 0.000 2.408 122 V HA 0.138 4.258 4.120 -0.000 0.000 0.267 122 V C 0.579 176.805 176.094 0.221 0.000 1.047 122 V CA -0.167 62.280 62.300 0.244 0.000 0.937 122 V CB 0.728 32.665 31.823 0.190 0.000 0.999 122 V HN 1.032 nan 8.190 nan 0.000 0.472 123 C N 2.365 121.814 119.300 0.249 0.000 3.336 123 C HA 0.170 4.629 4.460 -0.000 0.000 0.291 123 C C 1.316 176.497 174.990 0.318 0.000 1.363 123 C CA -0.247 58.950 59.018 0.298 0.000 1.737 123 C CB -0.307 27.576 27.740 0.237 0.000 2.274 123 C HN 0.855 nan 8.230 nan 0.000 0.663 124 T N 2.483 117.192 114.554 0.259 0.000 2.918 124 T HA 0.282 4.632 4.350 -0.000 0.000 0.302 124 T C -0.259 174.552 174.700 0.185 0.000 1.045 124 T CA 0.684 62.915 62.100 0.218 0.000 1.114 124 T CB 0.482 69.469 68.868 0.198 0.000 0.965 124 T HN 0.412 nan 8.240 nan 0.000 0.540 125 K N 0.916 121.407 120.400 0.152 0.000 2.464 125 K HA 0.716 5.036 4.320 -0.000 0.000 0.253 125 K C 0.060 176.724 176.600 0.107 0.000 0.933 125 K CA -0.843 55.527 56.287 0.137 0.000 0.801 125 K CB 2.509 35.072 32.500 0.105 0.000 1.271 125 K HN 0.889 nan 8.250 nan 0.000 0.430 126 G N 1.368 110.240 108.800 0.120 0.000 2.340 126 G HA2 0.170 4.130 3.960 -0.000 0.000 0.282 126 G HA3 0.170 4.130 3.960 -0.000 0.000 0.282 126 G C -1.836 173.011 174.900 -0.088 0.000 1.312 126 G CA -1.055 44.067 45.100 0.036 0.000 0.942 126 G HN 0.414 nan 8.290 nan 0.000 0.495 127 I N 0.768 121.225 120.570 -0.187 0.000 2.512 127 I HA 0.336 4.506 4.170 -0.000 0.000 0.287 127 I C 0.009 175.991 176.117 -0.225 0.000 1.069 127 I CA -0.589 60.487 61.300 -0.373 0.000 1.056 127 I CB 2.153 39.884 38.000 -0.449 0.000 1.229 127 I HN 0.678 nan 8.210 nan 0.000 0.429 128 E N 5.973 126.050 120.200 -0.206 0.000 2.366 128 E HA 0.126 4.476 4.350 -0.000 0.000 0.266 128 E C 0.755 177.279 176.600 -0.127 0.000 1.015 128 E CA -0.151 56.173 56.400 -0.127 0.000 0.906 128 E CB 0.833 30.481 29.700 -0.087 0.000 0.979 128 E HN 0.503 nan 8.360 nan 0.000 0.443 129 R N 1.968 122.411 120.500 -0.096 0.000 2.081 129 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 129 R C 2.387 178.646 176.300 -0.069 0.000 1.131 129 R CA 1.696 57.747 56.100 -0.082 0.000 0.960 129 R CB -0.306 29.960 30.300 -0.056 0.000 0.856 129 R HN 0.591 nan 8.270 nan 0.000 0.436 130 S N 0.177 115.845 115.700 -0.053 0.000 2.402 130 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 130 S C 1.986 176.557 174.600 -0.047 0.000 1.021 130 S CA 1.535 59.711 58.200 -0.039 0.000 0.974 130 S CB -0.280 62.907 63.200 -0.022 0.000 0.800 130 S HN 0.494 nan 8.310 nan 0.000 0.484 131 T N -1.563 112.956 114.554 -0.060 0.000 3.003 131 T HA 0.439 4.789 4.350 -0.000 0.000 0.261 131 T C 0.708 175.356 174.700 -0.086 0.000 1.003 131 T CA 0.039 62.102 62.100 -0.062 0.000 0.917 131 T CB -0.554 68.283 68.868 -0.051 0.000 1.084 131 T HN 0.386 nan 8.240 nan 0.000 0.522 132 L N 0.213 121.361 121.223 -0.124 0.000 3.843 132 L HA -0.189 4.151 4.340 -0.000 0.000 0.411 132 L C -0.157 176.581 176.870 -0.220 0.000 1.205 132 L CA 0.585 55.316 54.840 -0.181 0.000 0.945 132 L CB -1.788 40.193 42.059 -0.130 0.000 1.929 132 L HN 0.403 nan 8.230 nan 0.000 0.934 133 K N -0.467 119.814 120.400 -0.199 0.000 2.166 133 K HA 0.710 5.030 4.320 -0.000 0.000 0.245 133 K C -0.218 176.236 176.600 -0.243 0.000 0.967 133 K CA -0.845 55.364 56.287 -0.131 0.000 0.863 133 K CB 1.352 33.833 32.500 -0.032 0.000 1.107 133 K HN -0.170 nan 8.250 nan 0.000 0.436 134 F N 1.119 121.059 119.950 -0.017 0.000 2.380 134 F HA 0.217 4.743 4.527 -0.000 0.000 0.321 134 F C -1.333 174.467 175.800 -0.001 0.000 1.103 134 F CA -2.031 55.966 58.000 -0.006 0.000 1.067 134 F CB 0.400 39.397 39.000 -0.006 0.000 1.265 134 F HN 0.406 nan 8.300 nan 0.000 0.517 135 P HA -0.291 nan 4.420 nan 0.000 0.215 135 P C 1.235 178.587 177.300 0.086 0.000 1.163 135 P CA 2.820 65.992 63.100 0.121 0.000 0.894 135 P CB -0.045 31.743 31.700 0.147 0.000 0.791 136 A N -0.510 122.373 122.820 0.105 0.000 1.972 136 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 136 A C 2.081 179.681 177.584 0.026 0.000 1.169 136 A CA 1.675 53.747 52.037 0.059 0.000 0.635 136 A CB -1.109 17.928 19.000 0.063 0.000 0.810 136 A HN 0.239 nan 8.150 nan 0.000 0.446 137 E N -0.211 120.024 120.200 0.058 0.000 2.072 137 E HA -0.104 4.245 4.350 -0.000 0.000 0.190 137 E C 1.856 178.447 176.600 -0.016 0.000 0.982 137 E CA 1.094 57.512 56.400 0.029 0.000 0.803 137 E CB -0.285 29.463 29.700 0.081 0.000 0.755 137 E HN 0.704 nan 8.360 nan 0.000 0.453 138 I N 1.203 121.770 120.570 -0.004 0.000 2.142 138 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 138 I C 2.428 178.500 176.117 -0.074 0.000 1.078 138 I CA 1.187 62.475 61.300 -0.020 0.000 1.343 138 I CB -0.296 37.711 38.000 0.012 0.000 1.046 138 I HN 0.086 nan 8.210 nan 0.000 0.405 139 I N 0.947 121.417 120.570 -0.166 0.000 2.361 139 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 139 I C 2.496 178.484 176.117 -0.215 0.000 1.133 139 I CA 1.409 62.481 61.300 -0.381 0.000 1.413 139 I CB -0.775 37.021 38.000 -0.340 0.000 1.073 139 I HN 0.280 nan 8.210 nan 0.000 0.424 140 G N 0.112 108.838 108.800 -0.123 0.000 2.625 140 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 140 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 140 G C 1.407 176.216 174.900 -0.151 0.000 1.132 140 G CA 0.223 45.263 45.100 -0.100 0.000 0.782 140 G HN 0.443 nan 8.290 nan 0.000 0.538 141 E N -0.907 119.157 120.200 -0.225 0.000 2.371 141 E HA 0.076 4.426 4.350 -0.000 0.000 0.194 141 E C 1.193 177.406 176.600 -0.645 0.000 1.012 141 E CA 0.301 56.442 56.400 -0.432 0.000 0.860 141 E CB 0.045 29.407 29.700 -0.562 0.000 0.811 141 E HN 0.602 nan 8.360 nan 0.000 0.502 142 F N -0.323 119.452 119.950 -0.292 0.000 2.680 142 F HA 0.255 4.782 4.527 -0.000 0.000 0.290 142 F C 0.768 176.465 175.800 -0.173 0.000 1.114 142 F CA 0.008 57.855 58.000 -0.255 0.000 1.333 142 F CB 0.694 39.449 39.000 -0.409 0.000 1.091 142 F HN -0.201 nan 8.300 nan 0.000 0.606 143 L N 1.724 122.941 121.223 -0.010 0.000 2.354 143 L HA 0.470 4.810 4.340 -0.000 0.000 0.269 143 L C -2.432 174.425 176.870 -0.021 0.000 1.005 143 L CA -2.179 52.663 54.840 0.004 0.000 0.819 143 L CB 2.009 44.087 42.059 0.032 0.000 1.311 143 L HN -0.299 nan 8.230 nan 0.000 0.423 144 P HA 0.127 nan 4.420 nan 0.000 0.275 144 P C 0.093 177.389 177.300 -0.006 0.000 1.228 144 P CA -0.250 62.840 63.100 -0.016 0.000 0.786 144 P CB 1.391 33.085 31.700 -0.011 0.000 0.927 145 S N 3.340 119.033 115.700 -0.012 0.000 2.374 145 S HA -0.114 4.356 4.470 -0.000 0.000 0.227 145 S C -0.739 173.865 174.600 0.007 0.000 1.037 145 S CA 1.766 59.964 58.200 -0.003 0.000 1.024 145 S CB -2.008 61.187 63.200 -0.009 0.000 0.861 145 S HN 0.557 nan 8.310 nan 0.000 0.456 146 P HA -0.070 nan 4.420 nan 0.000 0.219 146 P C 0.735 178.044 177.300 0.016 0.000 1.144 146 P CA 1.014 64.118 63.100 0.008 0.000 0.806 146 P CB -0.086 31.615 31.700 0.002 0.000 0.771 147 L N -2.626 118.611 121.223 0.023 0.000 2.693 147 L HA 0.186 4.526 4.340 -0.000 0.000 0.235 147 L C 0.522 177.426 176.870 0.058 0.000 1.127 147 L CA -0.180 54.682 54.840 0.037 0.000 0.914 147 L CB -0.020 42.062 42.059 0.040 0.000 1.193 147 L HN -0.087 nan 8.230 nan 0.000 0.502 148 L N -0.289 120.964 121.223 0.050 0.000 2.296 148 L HA 0.491 4.831 4.340 -0.000 0.000 0.286 148 L C -0.268 176.638 176.870 0.060 0.000 1.023 148 L CA -0.049 54.830 54.840 0.065 0.000 0.812 148 L CB 1.733 43.821 42.059 0.048 0.000 1.223 148 L HN -0.013 nan 8.230 nan 0.000 0.421 149 S N 1.661 117.408 115.700 0.079 0.000 2.632 149 S HA 0.745 5.215 4.470 -0.000 0.000 0.289 149 S C -0.713 173.941 174.600 0.091 0.000 1.115 149 S CA -0.588 57.655 58.200 0.072 0.000 0.889 149 S CB 2.811 66.053 63.200 0.068 0.000 1.116 149 S HN 0.240 nan 8.310 nan 0.000 0.486 150 V N 1.993 121.957 119.914 0.083 0.000 2.680 150 V HA 0.575 4.694 4.120 -0.000 0.000 0.309 150 V C -0.808 175.352 176.094 0.110 0.000 1.052 150 V CA -0.718 61.642 62.300 0.100 0.000 0.908 150 V CB 1.776 33.643 31.823 0.073 0.000 1.001 150 V HN 0.769 nan 8.190 nan 0.000 0.431 151 L N 4.080 125.392 121.223 0.149 0.000 2.313 151 L HA 0.949 5.289 4.340 -0.000 0.000 0.283 151 L C -0.257 176.734 176.870 0.201 0.000 1.013 151 L CA -0.081 54.865 54.840 0.177 0.000 0.816 151 L CB 1.321 43.507 42.059 0.211 0.000 1.236 151 L HN 0.858 nan 8.230 nan 0.000 0.419 152 A N 3.394 126.303 122.820 0.148 0.000 2.589 152 A HA 0.935 5.255 4.320 -0.000 0.000 0.296 152 A C -0.574 177.043 177.584 0.054 0.000 1.062 152 A CA 0.124 52.222 52.037 0.103 0.000 0.686 152 A CB 1.708 20.738 19.000 0.050 0.000 1.282 152 A HN 1.115 nan 8.150 nan 0.000 0.404 153 G N 0.041 108.851 108.800 0.016 0.000 2.321 153 G HA2 0.515 4.474 3.960 -0.000 0.000 0.298 153 G HA3 0.515 4.474 3.960 -0.000 0.000 0.298 153 G C -3.616 171.245 174.900 -0.065 0.000 1.385 153 G CA -0.635 44.444 45.100 -0.035 0.000 0.856 153 G HN 0.552 nan 8.290 nan 0.000 0.584 154 P HA 0.296 nan 4.420 nan 0.000 0.268 154 P C -0.120 177.101 177.300 -0.132 0.000 1.282 154 P CA 0.081 63.081 63.100 -0.167 0.000 0.880 154 P CB 0.619 32.209 31.700 -0.183 0.000 0.971 155 S N 3.058 118.703 115.700 -0.092 0.000 2.440 155 S HA 0.343 4.813 4.470 -0.000 0.000 0.142 155 S C -0.224 174.495 174.600 0.199 0.000 1.578 155 S CA -0.714 57.536 58.200 0.085 0.000 1.260 155 S CB -0.890 62.481 63.200 0.284 0.000 1.407 155 S HN 0.153 nan 8.310 nan 0.000 0.392 156 F N 1.936 121.926 119.950 0.066 0.000 2.612 156 F HA 0.111 4.637 4.527 -0.000 0.000 0.389 156 F C 2.003 177.886 175.800 0.139 0.000 1.055 156 F CA -0.220 57.819 58.000 0.065 0.000 1.232 156 F CB 0.611 39.642 39.000 0.052 0.000 1.044 156 F HN 0.687 nan 8.300 nan 0.000 0.560 157 A N 4.444 127.473 122.820 0.349 0.000 1.892 157 A HA -0.261 4.059 4.320 -0.000 0.000 0.218 157 A C 2.029 179.742 177.584 0.216 0.000 1.188 157 A CA 1.907 54.133 52.037 0.315 0.000 0.631 157 A CB -0.654 18.513 19.000 0.278 0.000 0.822 157 A HN 0.798 nan 8.150 nan 0.000 0.447 158 I N 0.176 120.841 120.570 0.159 0.000 2.151 158 I HA -0.269 3.901 4.170 -0.000 0.000 0.243 158 I C 2.157 178.356 176.117 0.138 0.000 1.080 158 I CA 2.317 63.685 61.300 0.115 0.000 1.339 158 I CB -0.518 37.521 38.000 0.065 0.000 1.039 158 I HN 0.512 nan 8.210 nan 0.000 0.409 159 E N -0.448 119.865 120.200 0.189 0.000 2.077 159 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 159 E C 2.259 178.965 176.600 0.177 0.000 0.989 159 E CA 1.735 58.245 56.400 0.184 0.000 0.800 159 E CB -0.173 29.659 29.700 0.219 0.000 0.746 159 E HN 0.436 nan 8.360 nan 0.000 0.452 160 V N 1.263 121.304 119.914 0.210 0.000 2.307 160 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 160 V C 2.324 178.468 176.094 0.082 0.000 1.045 160 V CA 1.806 64.222 62.300 0.194 0.000 1.024 160 V CB -0.712 31.264 31.823 0.256 0.000 0.651 160 V HN 0.318 nan 8.190 nan 0.000 0.449 161 A N 0.726 123.595 122.820 0.081 0.000 1.933 161 A HA -0.207 4.112 4.320 -0.000 0.000 0.218 161 A C 2.268 179.875 177.584 0.039 0.000 1.175 161 A CA 2.346 54.406 52.037 0.039 0.000 0.628 161 A CB -0.825 18.210 19.000 0.057 0.000 0.814 161 A HN 0.643 nan 8.150 nan 0.000 0.444 162 T N -4.298 110.294 114.554 0.064 0.000 3.144 162 T HA 0.420 4.770 4.350 -0.000 0.000 0.249 162 T C 1.246 175.990 174.700 0.072 0.000 1.089 162 T CA 0.940 63.076 62.100 0.061 0.000 0.989 162 T CB -0.018 68.888 68.868 0.064 0.000 0.992 162 T HN 1.679 nan 8.240 nan 0.000 0.540 163 G N 0.970 109.819 108.800 0.081 0.000 2.143 163 G HA2 -0.242 3.717 3.960 -0.000 0.000 0.248 163 G HA3 -0.242 3.717 3.960 -0.000 0.000 0.248 163 G C 0.048 175.034 174.900 0.143 0.000 0.991 163 G CA -0.042 45.120 45.100 0.103 0.000 0.689 163 G HN 0.690 nan 8.290 nan 0.000 0.522 164 V N 1.199 121.202 119.914 0.148 0.000 2.572 164 V HA 0.399 4.519 4.120 -0.000 0.000 0.291 164 V C 1.161 177.380 176.094 0.210 0.000 1.039 164 V CA -0.493 61.912 62.300 0.176 0.000 1.055 164 V CB 0.655 32.573 31.823 0.157 0.000 0.969 164 V HN 0.412 nan 8.190 nan 0.000 0.482 165 F N 4.832 124.846 119.950 0.106 0.000 2.500 165 F HA 0.022 4.549 4.527 -0.000 0.000 0.409 165 F C 0.649 176.509 175.800 0.100 0.000 0.982 165 F CA 1.107 59.169 58.000 0.102 0.000 1.163 165 F CB -0.070 38.974 39.000 0.074 0.000 0.942 165 F HN 0.596 nan 8.300 nan 0.000 0.535 166 T N 5.690 119.824 114.554 -0.700 0.000 2.933 166 T HA 0.467 4.817 4.350 -0.000 0.000 0.305 166 T C -1.278 172.970 174.700 -0.755 0.000 1.092 166 T CA -0.626 61.165 62.100 -0.514 0.000 1.008 166 T CB 1.167 69.985 68.868 -0.085 0.000 1.102 166 T HN 0.620 nan 8.240 nan 0.000 0.469 167 C N 3.144 122.151 119.300 -0.489 0.000 2.455 167 C HA 0.940 5.399 4.460 -0.000 0.000 0.320 167 C C 0.075 174.926 174.990 -0.232 0.000 1.226 167 C CA -0.619 58.219 59.018 -0.299 0.000 1.569 167 C CB 0.371 28.074 27.740 -0.061 0.000 2.200 167 C HN 0.856 nan 8.230 nan 0.000 0.491 168 V N 1.326 121.131 119.914 -0.181 0.000 3.181 168 V HA 0.968 5.088 4.120 -0.000 0.000 0.308 168 V C -0.376 175.760 176.094 0.070 0.000 1.214 168 V CA -0.484 61.765 62.300 -0.085 0.000 1.053 168 V CB 1.762 33.525 31.823 -0.100 0.000 1.069 168 V HN 0.880 nan 8.190 nan 0.000 0.441 169 S N 1.848 117.588 115.700 0.066 0.000 2.578 169 S HA 0.847 5.316 4.470 -0.000 0.000 0.301 169 S C -0.791 173.867 174.600 0.096 0.000 1.091 169 S CA -0.761 57.507 58.200 0.112 0.000 1.032 169 S CB 1.676 64.915 63.200 0.065 0.000 1.064 169 S HN 0.828 nan 8.310 nan 0.000 0.508 170 I N 1.891 122.520 120.570 0.098 0.000 2.389 170 I HA 0.554 4.724 4.170 -0.000 0.000 0.288 170 I C 0.106 176.263 176.117 0.067 0.000 0.999 170 I CA -0.657 60.693 61.300 0.083 0.000 1.129 170 I CB 0.951 38.996 38.000 0.074 0.000 1.288 170 I HN 0.966 nan 8.210 nan 0.000 0.444 171 A N 4.620 127.475 122.820 0.057 0.000 2.317 171 A HA 0.819 5.139 4.320 -0.000 0.000 0.327 171 A C -0.283 177.322 177.584 0.035 0.000 1.178 171 A CA -0.485 51.575 52.037 0.039 0.000 0.817 171 A CB 1.435 20.447 19.000 0.021 0.000 1.189 171 A HN 0.621 nan 8.150 nan 0.000 0.489 172 S N 0.284 116.000 115.700 0.027 0.000 2.562 172 S HA 0.510 4.980 4.470 -0.000 0.000 0.274 172 S C 0.866 175.474 174.600 0.014 0.000 1.160 172 S CA 0.133 58.346 58.200 0.023 0.000 0.933 172 S CB 1.355 64.571 63.200 0.028 0.000 1.100 172 S HN 1.809 nan 8.310 nan 0.000 0.468 173 A N 2.672 125.496 122.820 0.007 0.000 1.927 173 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 173 A C 0.896 178.483 177.584 0.005 0.000 1.185 173 A CA 1.996 54.033 52.037 0.002 0.000 0.639 173 A CB -0.507 18.491 19.000 -0.003 0.000 0.820 173 A HN 0.750 nan 8.150 nan 0.000 0.451 174 D N -0.809 119.596 120.400 0.008 0.000 2.380 174 D HA 0.287 4.927 4.640 -0.000 0.000 0.230 174 D C 0.767 177.076 176.300 0.014 0.000 1.154 174 D CA -0.562 53.444 54.000 0.010 0.000 0.859 174 D CB 0.496 41.301 40.800 0.008 0.000 1.045 174 D HN 0.099 nan 8.370 nan 0.000 0.495 175 I N 4.424 125.003 120.570 0.015 0.000 2.248 175 I HA -0.290 3.880 4.170 -0.000 0.000 0.248 175 I C 1.551 177.678 176.117 0.018 0.000 1.107 175 I CA 1.329 62.641 61.300 0.020 0.000 1.373 175 I CB -0.166 37.848 38.000 0.022 0.000 1.055 175 I HN 0.415 nan 8.210 nan 0.000 0.418 176 N N -0.035 118.674 118.700 0.014 0.000 2.223 176 N HA -0.122 4.618 4.740 -0.000 0.000 0.185 176 N C 1.942 177.460 175.510 0.013 0.000 1.016 176 N CA 1.582 54.639 53.050 0.012 0.000 0.863 176 N CB -0.262 38.231 38.487 0.009 0.000 0.983 176 N HN 0.320 nan 8.380 nan 0.000 0.429 177 V N 1.543 121.466 119.914 0.015 0.000 2.358 177 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 177 V C 2.475 178.583 176.094 0.022 0.000 1.047 177 V CA 1.672 63.983 62.300 0.018 0.000 1.035 177 V CB -0.843 30.993 31.823 0.020 0.000 0.658 177 V HN 0.257 nan 8.190 nan 0.000 0.452 178 A N 0.058 122.892 122.820 0.025 0.000 1.902 178 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 178 A C 2.359 179.956 177.584 0.022 0.000 1.181 178 A CA 1.769 53.824 52.037 0.030 0.000 0.623 178 A CB -0.489 18.533 19.000 0.036 0.000 0.818 178 A HN 0.500 nan 8.150 nan 0.000 0.443 179 R N -1.084 119.424 120.500 0.014 0.000 2.120 179 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 179 R C 2.473 178.770 176.300 -0.004 0.000 1.123 179 R CA 1.484 57.585 56.100 0.002 0.000 0.975 179 R CB -0.245 30.056 30.300 0.001 0.000 0.866 179 R HN 0.570 nan 8.270 nan 0.000 0.446 180 R N 0.413 120.915 120.500 0.003 0.000 2.073 180 R HA -0.033 4.306 4.340 -0.000 0.000 0.229 180 R C 1.886 178.186 176.300 -0.000 0.000 1.120 180 R CA 0.845 56.945 56.100 0.000 0.000 0.967 180 R CB 0.047 30.351 30.300 0.006 0.000 0.862 180 R HN 0.122 nan 8.270 nan 0.000 0.436 181 L N 1.312 122.541 121.223 0.011 0.000 2.201 181 L HA -0.161 4.178 4.340 -0.000 0.000 0.212 181 L C 2.448 179.326 176.870 0.012 0.000 1.105 181 L CA 1.595 56.445 54.840 0.017 0.000 0.775 181 L CB -1.107 40.973 42.059 0.035 0.000 0.913 181 L HN 0.448 nan 8.230 nan 0.000 0.440 182 Q N 0.148 119.950 119.800 0.003 0.000 2.224 182 Q HA -0.189 4.151 4.340 -0.000 0.000 0.203 182 Q C 2.101 178.079 176.000 -0.037 0.000 0.970 182 Q CA 1.247 57.041 55.803 -0.014 0.000 0.865 182 Q CB 0.147 28.866 28.738 -0.032 0.000 0.922 182 Q HN 0.361 nan 8.270 nan 0.000 0.445 183 R N -0.367 120.110 120.500 -0.039 0.000 2.193 183 R HA 0.090 4.429 4.340 -0.000 0.000 0.213 183 R C 2.026 178.275 176.300 -0.085 0.000 1.055 183 R CA 0.894 56.960 56.100 -0.058 0.000 0.995 183 R CB 0.139 30.415 30.300 -0.040 0.000 0.893 183 R HN 0.328 nan 8.270 nan 0.000 0.459 184 I N -0.271 120.262 120.570 -0.063 0.000 2.429 184 I HA -0.136 4.034 4.170 -0.000 0.000 0.247 184 I C 1.866 177.934 176.117 -0.081 0.000 1.099 184 I CA 0.731 61.981 61.300 -0.084 0.000 1.422 184 I CB -0.002 37.971 38.000 -0.044 0.000 1.112 184 I HN 0.093 nan 8.210 nan 0.000 0.430 185 M N 0.100 119.692 119.600 -0.014 0.000 2.349 185 M HA 0.046 4.526 4.480 -0.000 0.000 0.266 185 M C 1.016 177.397 176.300 0.134 0.000 1.076 185 M CA 0.763 56.095 55.300 0.054 0.000 1.126 185 M CB -0.967 31.725 32.600 0.154 0.000 1.392 185 M HN -0.015 nan 8.290 nan 0.000 0.440 186 S N 2.076 117.819 115.700 0.072 0.000 2.516 186 S HA 0.160 4.630 4.470 -0.000 0.000 0.282 186 S C 0.730 175.342 174.600 0.020 0.000 1.286 186 S CA -0.364 57.880 58.200 0.073 0.000 1.066 186 S CB 0.377 63.559 63.200 -0.030 0.000 0.884 186 S HN 0.504 nan 8.310 nan 0.000 0.491 187 T N 0.638 115.243 114.554 0.085 0.000 2.904 187 T HA 0.415 4.765 4.350 -0.000 0.000 0.290 187 T C 1.599 176.328 174.700 0.048 0.000 1.018 187 T CA -0.447 61.678 62.100 0.043 0.000 1.075 187 T CB 1.115 70.036 68.868 0.087 0.000 0.986 187 T HN 0.524 nan 8.240 nan 0.000 0.523 188 G N 1.154 109.993 108.800 0.065 0.000 2.462 188 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.220 188 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.220 188 G C 1.018 175.978 174.900 0.100 0.000 1.121 188 G CA 0.805 45.974 45.100 0.114 0.000 0.758 188 G HN 0.938 nan 8.290 nan 0.000 0.559 189 D N -0.689 119.771 120.400 0.100 0.000 2.328 189 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 189 D C 0.900 177.275 176.300 0.124 0.000 1.072 189 D CA -0.453 53.607 54.000 0.101 0.000 0.850 189 D CB -0.103 40.756 40.800 0.099 0.000 0.922 189 D HN 0.044 nan 8.370 nan 0.000 0.516 190 R N -0.053 120.523 120.500 0.127 0.000 3.641 190 R HA -0.158 4.182 4.340 -0.000 0.000 0.286 190 R C 1.004 177.470 176.300 0.277 0.000 1.153 190 R CA 0.972 57.172 56.100 0.167 0.000 0.775 190 R CB -3.227 27.165 30.300 0.154 0.000 1.215 190 R HN 0.511 nan 8.270 nan 0.000 0.474 191 S N -1.716 114.125 115.700 0.235 0.000 2.503 191 S HA 0.156 4.625 4.470 -0.000 0.000 0.217 191 S C 0.390 175.076 174.600 0.142 0.000 0.999 191 S CA -0.056 58.307 58.200 0.272 0.000 0.914 191 S CB 0.294 63.624 63.200 0.217 0.000 0.782 191 S HN 0.276 nan 8.310 nan 0.000 0.520 192 F N 2.213 122.133 119.950 -0.049 0.000 2.577 192 F HA 0.604 5.130 4.527 -0.000 0.000 0.344 192 F C -1.209 174.536 175.800 -0.092 0.000 1.145 192 F CA -1.039 56.896 58.000 -0.109 0.000 0.996 192 F CB 1.708 40.673 39.000 -0.057 0.000 1.248 192 F HN -0.140 nan 8.300 nan 0.000 0.447 193 V N 4.919 124.612 119.914 -0.369 0.000 2.417 193 V HA 0.395 4.515 4.120 -0.000 0.000 0.291 193 V C -0.396 175.519 176.094 -0.298 0.000 1.024 193 V CA -0.721 61.430 62.300 -0.249 0.000 0.861 193 V CB 1.344 33.105 31.823 -0.104 0.000 0.985 193 V HN 0.840 nan 8.190 nan 0.000 0.436 194 C N 4.198 123.334 119.300 -0.273 0.000 2.376 194 C HA 0.670 5.130 4.460 -0.000 0.000 0.335 194 C C -0.700 174.150 174.990 -0.234 0.000 1.229 194 C CA -0.952 57.980 59.018 -0.144 0.000 1.867 194 C CB 0.727 28.431 27.740 -0.059 0.000 2.319 194 C HN 0.890 nan 8.230 nan 0.000 0.515 195 W N 1.506 122.765 121.300 -0.069 0.000 2.587 195 W HA 0.622 5.282 4.660 -0.000 0.000 0.324 195 W C 0.077 176.584 176.519 -0.020 0.000 1.040 195 W CA -0.421 56.903 57.345 -0.035 0.000 1.222 195 W CB 0.943 30.383 29.460 -0.034 0.000 1.381 195 W HN 0.866 nan 8.180 nan 0.000 0.483 196 A N 2.156 125.076 122.820 0.166 0.000 2.354 196 A HA 0.743 5.063 4.320 -0.000 0.000 0.269 196 A C -0.085 177.565 177.584 0.109 0.000 1.109 196 A CA 0.049 52.149 52.037 0.104 0.000 0.800 196 A CB 0.948 19.983 19.000 0.057 0.000 1.045 196 A HN 0.563 nan 8.150 nan 0.000 0.489 197 T N -0.820 113.779 114.554 0.075 0.000 2.821 197 T HA 0.490 4.839 4.350 -0.000 0.000 0.306 197 T C 0.824 175.544 174.700 0.034 0.000 1.313 197 T CA 0.359 62.492 62.100 0.055 0.000 1.012 197 T CB 1.166 70.062 68.868 0.047 0.000 1.298 197 T HN 1.125 nan 8.240 nan 0.000 0.502 198 T N -1.197 113.369 114.554 0.021 0.000 3.014 198 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 198 T C 0.659 175.356 174.700 -0.005 0.000 1.060 198 T CA 0.235 62.341 62.100 0.010 0.000 1.040 198 T CB -0.114 68.759 68.868 0.008 0.000 0.971 198 T HN 0.466 nan 8.240 nan 0.000 0.497 199 D N 3.500 123.892 120.400 -0.012 0.000 2.662 199 D HA 0.090 4.730 4.640 -0.000 0.000 0.228 199 D C 1.695 177.965 176.300 -0.048 0.000 1.093 199 D CA 0.337 54.315 54.000 -0.036 0.000 1.075 199 D CB 0.144 40.916 40.800 -0.046 0.000 1.122 199 D HN 0.531 nan 8.370 nan 0.000 0.475 200 T N -2.380 112.149 114.554 -0.042 0.000 2.746 200 T HA -0.178 4.171 4.350 -0.000 0.000 0.267 200 T C 2.042 176.682 174.700 -0.101 0.000 1.039 200 T CA 1.021 63.093 62.100 -0.046 0.000 1.142 200 T CB -0.413 68.439 68.868 -0.027 0.000 0.866 200 T HN 0.114 nan 8.240 nan 0.000 0.444 201 V N 2.180 122.017 119.914 -0.128 0.000 2.295 201 V HA -0.024 4.096 4.120 -0.000 0.000 0.246 201 V C 3.144 179.081 176.094 -0.263 0.000 1.049 201 V CA 1.913 64.081 62.300 -0.220 0.000 1.024 201 V CB -1.584 30.132 31.823 -0.178 0.000 0.648 201 V HN 0.685 nan 8.190 nan 0.000 0.447 202 G N -1.212 107.479 108.800 -0.181 0.000 2.440 202 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 202 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 202 G C 1.742 176.541 174.900 -0.168 0.000 1.154 202 G CA 1.384 46.378 45.100 -0.177 0.000 0.767 202 G HN 0.533 nan 8.290 nan 0.000 0.552 203 C N 0.379 119.602 119.300 -0.129 0.000 2.432 203 C HA 0.001 4.460 4.460 -0.000 0.000 0.277 203 C C 2.805 177.735 174.990 -0.099 0.000 1.249 203 C CA 1.043 60.008 59.018 -0.088 0.000 1.725 203 C CB -0.721 26.995 27.740 -0.039 0.000 2.028 203 C HN 0.561 nan 8.230 nan 0.000 0.477 204 E N 0.234 120.333 120.200 -0.167 0.000 2.106 204 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 204 E C 2.212 178.640 176.600 -0.287 0.000 0.984 204 E CA 1.103 57.391 56.400 -0.186 0.000 0.806 204 E CB -0.211 29.317 29.700 -0.287 0.000 0.750 204 E HN 0.491 nan 8.360 nan 0.000 0.458 205 V N 1.672 121.293 119.914 -0.489 0.000 2.261 205 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 205 V C 2.439 178.490 176.094 -0.072 0.000 1.047 205 V CA 1.966 64.070 62.300 -0.327 0.000 1.015 205 V CB -0.768 30.871 31.823 -0.306 0.000 0.642 205 V HN 0.294 nan 8.190 nan 0.000 0.446 206 A N -0.640 122.121 122.820 -0.099 0.000 1.908 206 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 206 A C 2.464 180.041 177.584 -0.012 0.000 1.181 206 A CA 2.378 54.380 52.037 -0.059 0.000 0.627 206 A CB -0.790 18.157 19.000 -0.087 0.000 0.818 206 A HN 0.503 nan 8.150 nan 0.000 0.445 207 S N -0.683 115.018 115.700 0.002 0.000 2.419 207 S HA 0.019 4.489 4.470 -0.000 0.000 0.233 207 S C 2.119 176.763 174.600 0.072 0.000 1.016 207 S CA 1.151 59.370 58.200 0.032 0.000 0.974 207 S CB -0.275 62.953 63.200 0.047 0.000 0.786 207 S HN 0.791 nan 8.310 nan 0.000 0.492 208 A N 0.645 123.542 122.820 0.129 0.000 1.871 208 A HA 0.133 4.453 4.320 -0.000 0.000 0.211 208 A C 2.221 179.868 177.584 0.105 0.000 1.207 208 A CA 0.734 52.863 52.037 0.153 0.000 0.620 208 A CB -0.708 18.469 19.000 0.296 0.000 0.860 208 A HN 0.306 nan 8.150 nan 0.000 0.450 209 V N 1.962 121.937 119.914 0.101 0.000 2.490 209 V HA -0.300 3.820 4.120 -0.000 0.000 0.250 209 V C 2.532 178.656 176.094 0.050 0.000 1.061 209 V CA 2.319 64.660 62.300 0.068 0.000 1.064 209 V CB -0.972 30.881 31.823 0.049 0.000 0.670 209 V HN 0.847 nan 8.190 nan 0.000 0.461 210 K N 0.553 120.977 120.400 0.040 0.000 2.152 210 K HA -0.221 4.098 4.320 -0.000 0.000 0.206 210 K C 1.735 178.368 176.600 0.055 0.000 1.048 210 K CA 2.024 58.333 56.287 0.037 0.000 0.933 210 K CB -0.471 32.041 32.500 0.021 0.000 0.721 210 K HN 0.425 nan 8.250 nan 0.000 0.447 211 N N 0.950 119.686 118.700 0.060 0.000 2.270 211 N HA -0.083 4.657 4.740 -0.000 0.000 0.181 211 N C 1.900 177.454 175.510 0.073 0.000 1.016 211 N CA 1.278 54.369 53.050 0.070 0.000 0.870 211 N CB -0.079 38.447 38.487 0.066 0.000 0.979 211 N HN 0.085 nan 8.380 nan 0.000 0.431 212 V N 1.879 121.835 119.914 0.069 0.000 2.323 212 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 212 V C 2.449 178.581 176.094 0.063 0.000 1.041 212 V CA 1.042 63.386 62.300 0.072 0.000 1.025 212 V CB -0.478 31.388 31.823 0.072 0.000 0.656 212 V HN 0.192 nan 8.190 nan 0.000 0.451 213 L N 0.277 121.535 121.223 0.058 0.000 2.131 213 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 213 L C 2.687 179.595 176.870 0.064 0.000 1.092 213 L CA 1.435 56.308 54.840 0.054 0.000 0.759 213 L CB -0.744 41.344 42.059 0.048 0.000 0.903 213 L HN 0.373 nan 8.230 nan 0.000 0.435 214 A N 0.116 122.985 122.820 0.082 0.000 1.972 214 A HA -0.164 4.155 4.320 -0.000 0.000 0.219 214 A C 2.202 179.839 177.584 0.089 0.000 1.169 214 A CA 1.342 53.452 52.037 0.122 0.000 0.635 214 A CB -0.566 18.520 19.000 0.143 0.000 0.810 214 A HN 0.384 nan 8.150 nan 0.000 0.446 215 I N -0.583 120.017 120.570 0.050 0.000 2.315 215 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 215 I C 2.637 178.725 176.117 -0.048 0.000 1.117 215 I CA 1.022 62.321 61.300 -0.001 0.000 1.404 215 I CB -0.554 37.457 38.000 0.019 0.000 1.071 215 I HN 0.410 nan 8.210 nan 0.000 0.419 216 G N -0.336 108.458 108.800 -0.011 0.000 2.408 216 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.217 216 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.217 216 G C 1.762 176.634 174.900 -0.047 0.000 1.150 216 G CA 0.973 46.059 45.100 -0.022 0.000 0.776 216 G HN 0.359 nan 8.290 nan 0.000 0.542 217 S N 0.367 116.057 115.700 -0.016 0.000 2.368 217 S HA -0.005 4.464 4.470 -0.000 0.000 0.225 217 S C 2.509 176.959 174.600 -0.251 0.000 1.030 217 S CA 1.840 60.046 58.200 0.011 0.000 0.999 217 S CB -0.652 62.664 63.200 0.193 0.000 0.844 217 S HN 0.448 nan 8.310 nan 0.000 0.459 218 G N 0.872 109.363 108.800 -0.515 0.000 2.421 218 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 218 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 218 G C 1.493 176.082 174.900 -0.518 0.000 1.171 218 G CA 1.073 45.551 45.100 -1.036 0.000 0.775 218 G HN 0.457 nan 8.290 nan 0.000 0.543 219 V N 1.793 121.543 119.914 -0.274 0.000 2.282 219 V HA -0.217 3.903 4.120 -0.000 0.000 0.249 219 V C 3.372 179.388 176.094 -0.129 0.000 1.057 219 V CA 2.203 64.406 62.300 -0.162 0.000 1.032 219 V CB -1.067 30.698 31.823 -0.098 0.000 0.645 219 V HN 0.490 nan 8.190 nan 0.000 0.447 220 A N 0.359 123.115 122.820 -0.108 0.000 1.917 220 A HA -0.323 3.997 4.320 -0.000 0.000 0.219 220 A C 2.229 179.784 177.584 -0.049 0.000 1.182 220 A CA 2.329 54.334 52.037 -0.053 0.000 0.633 220 A CB -0.843 18.148 19.000 -0.016 0.000 0.819 220 A HN 0.639 nan 8.150 nan 0.000 0.448 221 N N 0.137 118.783 118.700 -0.090 0.000 2.106 221 N HA -0.118 4.622 4.740 -0.000 0.000 0.188 221 N C 1.910 177.395 175.510 -0.042 0.000 1.029 221 N CA 1.757 54.791 53.050 -0.027 0.000 0.848 221 N CB -0.571 37.925 38.487 0.015 0.000 1.007 221 N HN 0.349 nan 8.380 nan 0.000 0.423 222 G N 0.516 109.253 108.800 -0.105 0.000 2.509 222 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.218 222 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.218 222 G C 1.362 176.236 174.900 -0.043 0.000 1.124 222 G CA 0.112 45.171 45.100 -0.068 0.000 0.776 222 G HN 0.287 nan 8.290 nan 0.000 0.547 223 L N 0.014 121.212 121.223 -0.043 0.000 2.591 223 L HA 0.361 4.701 4.340 -0.000 0.000 0.228 223 L C 2.020 178.883 176.870 -0.011 0.000 1.133 223 L CA 1.029 55.853 54.840 -0.027 0.000 0.880 223 L CB 0.149 42.190 42.059 -0.029 0.000 1.033 223 L HN 0.353 nan 8.230 nan 0.000 0.450 224 G N -1.635 107.163 108.800 -0.004 0.000 2.179 224 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 224 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 224 G C 0.546 175.455 174.900 0.015 0.000 0.990 224 G CA 0.235 45.339 45.100 0.008 0.000 0.646 224 G HN 0.254 nan 8.290 nan 0.000 0.517 225 M N 0.583 120.192 119.600 0.014 0.000 2.202 225 M HA 0.521 5.001 4.480 -0.000 0.000 0.316 225 M C 1.407 177.730 176.300 0.038 0.000 1.138 225 M CA 0.733 56.046 55.300 0.022 0.000 1.151 225 M CB 0.597 33.208 32.600 0.018 0.000 1.422 225 M HN 0.246 nan 8.290 nan 0.000 0.471 226 G N 0.093 108.917 108.800 0.039 0.000 3.039 226 G HA2 0.516 4.476 3.960 -0.000 0.000 0.159 226 G HA3 0.516 4.476 3.960 -0.000 0.000 0.159 226 G C 0.416 175.351 174.900 0.057 0.000 1.284 226 G CA -0.683 44.446 45.100 0.049 0.000 0.996 226 G HN 0.713 nan 8.290 nan 0.000 0.592 227 L N 0.303 121.557 121.223 0.051 0.000 2.313 227 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 227 L C 2.425 179.321 176.870 0.042 0.000 1.119 227 L CA 0.355 55.225 54.840 0.051 0.000 0.809 227 L CB -0.245 41.839 42.059 0.042 0.000 0.933 227 L HN 0.287 nan 8.230 nan 0.000 0.449 228 N N 0.844 119.565 118.700 0.035 0.000 2.142 228 N HA -0.118 4.622 4.740 -0.000 0.000 0.186 228 N C 1.982 177.511 175.510 0.032 0.000 1.023 228 N CA 1.501 54.568 53.050 0.029 0.000 0.852 228 N CB -0.268 38.233 38.487 0.023 0.000 0.998 228 N HN 0.275 nan 8.380 nan 0.000 0.424 229 A N 1.273 124.113 122.820 0.034 0.000 1.902 229 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 229 A C 2.252 179.862 177.584 0.043 0.000 1.181 229 A CA 1.379 53.437 52.037 0.034 0.000 0.623 229 A CB -0.510 18.508 19.000 0.031 0.000 0.818 229 A HN 0.253 nan 8.150 nan 0.000 0.443 230 R N -0.382 120.152 120.500 0.057 0.000 2.081 230 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 230 R C 2.276 178.611 176.300 0.058 0.000 1.131 230 R CA 1.439 57.583 56.100 0.073 0.000 0.960 230 R CB -0.400 29.960 30.300 0.100 0.000 0.856 230 R HN 0.437 nan 8.270 nan 0.000 0.436 231 A N 0.649 123.497 122.820 0.047 0.000 1.933 231 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 231 A C 2.323 179.928 177.584 0.036 0.000 1.175 231 A CA 1.629 53.688 52.037 0.038 0.000 0.628 231 A CB -0.660 18.358 19.000 0.030 0.000 0.814 231 A HN 0.540 nan 8.150 nan 0.000 0.444 232 A N -0.370 122.471 122.820 0.034 0.000 1.930 232 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 232 A C 2.191 179.795 177.584 0.034 0.000 1.175 232 A CA 1.425 53.481 52.037 0.031 0.000 0.627 232 A CB -0.604 18.412 19.000 0.027 0.000 0.815 232 A HN 0.695 nan 8.150 nan 0.000 0.443 233 L N -0.434 120.811 121.223 0.037 0.000 2.046 233 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 233 L C 2.273 179.167 176.870 0.040 0.000 1.077 233 L CA 1.575 56.438 54.840 0.038 0.000 0.747 233 L CB -0.231 41.853 42.059 0.042 0.000 0.896 233 L HN 0.423 nan 8.230 nan 0.000 0.432 234 I N -0.750 119.846 120.570 0.043 0.000 2.202 234 I HA -0.307 3.862 4.170 -0.000 0.000 0.242 234 I C 2.600 178.742 176.117 0.042 0.000 1.091 234 I CA 1.406 62.731 61.300 0.041 0.000 1.368 234 I CB -0.339 37.684 38.000 0.040 0.000 1.058 234 I HN 0.424 nan 8.210 nan 0.000 0.410 235 M N 0.591 120.218 119.600 0.046 0.000 2.099 235 M HA -0.160 4.320 4.480 -0.000 0.000 0.262 235 M C 2.352 178.686 176.300 0.058 0.000 1.067 235 M CA 1.829 57.163 55.300 0.057 0.000 1.124 235 M CB -0.576 32.052 32.600 0.046 0.000 1.353 235 M HN 0.125 nan 8.290 nan 0.000 0.410 236 R N -0.265 120.261 120.500 0.044 0.000 2.119 236 R HA 0.067 4.407 4.340 -0.000 0.000 0.222 236 R C 2.264 178.585 176.300 0.035 0.000 1.088 236 R CA 1.296 57.419 56.100 0.040 0.000 0.984 236 R CB -1.536 28.784 30.300 0.033 0.000 0.884 236 R HN 0.544 nan 8.270 nan 0.000 0.447 237 G N 1.347 110.167 108.800 0.032 0.000 2.408 237 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.217 237 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.217 237 G C 1.425 176.329 174.900 0.007 0.000 1.150 237 G CA 0.210 45.324 45.100 0.024 0.000 0.776 237 G HN 0.214 nan 8.290 nan 0.000 0.542 238 L N 0.687 121.915 121.223 0.007 0.000 2.127 238 L HA 0.044 4.384 4.340 -0.000 0.000 0.211 238 L C 2.594 179.429 176.870 -0.059 0.000 1.089 238 L CA 1.259 56.078 54.840 -0.035 0.000 0.757 238 L CB -0.298 41.761 42.059 0.000 0.000 0.899 238 L HN 0.212 nan 8.230 nan 0.000 0.434 239 L N -1.193 120.031 121.223 0.002 0.000 2.201 239 L HA -0.161 4.179 4.340 -0.000 0.000 0.212 239 L C 2.350 179.209 176.870 -0.018 0.000 1.105 239 L CA 1.052 55.896 54.840 0.006 0.000 0.775 239 L CB -0.618 41.465 42.059 0.041 0.000 0.913 239 L HN 0.367 nan 8.230 nan 0.000 0.440 240 E N 0.444 120.636 120.200 -0.013 0.000 2.107 240 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 240 E C 2.316 178.897 176.600 -0.031 0.000 0.982 240 E CA 0.885 57.278 56.400 -0.011 0.000 0.809 240 E CB 0.031 29.735 29.700 0.007 0.000 0.756 240 E HN 0.490 nan 8.360 nan 0.000 0.459 241 I N 1.028 121.566 120.570 -0.054 0.000 2.226 241 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 241 I C 2.787 178.834 176.117 -0.118 0.000 1.100 241 I CA 0.966 62.216 61.300 -0.082 0.000 1.374 241 I CB -0.240 37.694 38.000 -0.109 0.000 1.057 241 I HN 0.052 nan 8.210 nan 0.000 0.413 242 R N 1.140 121.552 120.500 -0.147 0.000 2.080 242 R HA -0.216 4.124 4.340 -0.000 0.000 0.236 242 R C 1.882 178.129 176.300 -0.088 0.000 1.137 242 R CA 2.308 58.313 56.100 -0.157 0.000 0.943 242 R CB -0.266 29.940 30.300 -0.156 0.000 0.846 242 R HN 0.279 nan 8.270 nan 0.000 0.431 243 D N 0.765 121.132 120.400 -0.055 0.000 2.123 243 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 243 D C 1.856 178.134 176.300 -0.037 0.000 0.992 243 D CA 0.925 54.903 54.000 -0.035 0.000 0.833 243 D CB -0.306 40.482 40.800 -0.021 0.000 0.954 243 D HN 0.197 nan 8.370 nan 0.000 0.455 244 L N 0.779 121.980 121.223 -0.037 0.000 2.093 244 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 244 L C 2.110 178.951 176.870 -0.048 0.000 1.085 244 L CA 1.674 56.499 54.840 -0.025 0.000 0.755 244 L CB -0.921 41.136 42.059 -0.002 0.000 0.904 244 L HN -0.067 nan 8.230 nan 0.000 0.435 245 T N -0.067 114.437 114.554 -0.083 0.000 2.720 245 T HA -0.175 4.174 4.350 -0.000 0.000 0.268 245 T C 1.917 176.568 174.700 -0.081 0.000 1.037 245 T CA 1.398 63.432 62.100 -0.111 0.000 1.144 245 T CB -0.503 68.284 68.868 -0.136 0.000 0.864 245 T HN 0.540 nan 8.240 nan 0.000 0.444 246 A N 1.505 124.287 122.820 -0.063 0.000 1.877 246 A HA 0.124 4.444 4.320 -0.000 0.000 0.216 246 A C 2.640 180.203 177.584 -0.036 0.000 1.186 246 A CA 1.870 53.880 52.037 -0.045 0.000 0.620 246 A CB -1.145 17.834 19.000 -0.034 0.000 0.822 246 A HN 0.512 nan 8.150 nan 0.000 0.443 247 A N -0.724 122.077 122.820 -0.031 0.000 2.019 247 A HA 0.055 4.375 4.320 -0.000 0.000 0.219 247 A C 1.882 179.455 177.584 -0.018 0.000 1.164 247 A CA 1.306 53.330 52.037 -0.021 0.000 0.644 247 A CB -0.476 18.514 19.000 -0.016 0.000 0.805 247 A HN 0.469 nan 8.150 nan 0.000 0.449 248 L N -1.386 119.822 121.223 -0.026 0.000 2.592 248 L HA 0.225 4.564 4.340 -0.000 0.000 0.227 248 L C 1.608 178.458 176.870 -0.034 0.000 1.127 248 L CA 0.493 55.321 54.840 -0.021 0.000 0.884 248 L CB -0.047 41.991 42.059 -0.034 0.000 1.065 248 L HN 0.557 nan 8.230 nan 0.000 0.457 249 G N -0.185 108.594 108.800 -0.036 0.000 2.157 249 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.248 249 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.248 249 G C 0.596 175.469 174.900 -0.045 0.000 0.979 249 G CA -0.142 44.937 45.100 -0.035 0.000 0.650 249 G HN 0.506 nan 8.290 nan 0.000 0.529 250 G N 0.176 108.939 108.800 -0.063 0.000 2.527 250 G HA2 0.468 4.428 3.960 -0.000 0.000 0.248 250 G HA3 0.468 4.428 3.960 -0.000 0.000 0.248 250 G C 0.728 175.595 174.900 -0.056 0.000 1.231 250 G CA 0.651 45.708 45.100 -0.072 0.000 0.838 250 G HN 0.623 nan 8.290 nan 0.000 0.570 251 D N -1.133 119.239 120.400 -0.048 0.000 2.317 251 D HA 0.149 4.789 4.640 -0.000 0.000 0.211 251 D C 1.815 178.094 176.300 -0.035 0.000 0.966 251 D CA 0.942 54.922 54.000 -0.033 0.000 0.876 251 D CB -0.062 40.725 40.800 -0.021 0.000 0.927 251 D HN 0.975 nan 8.370 nan 0.000 0.519 252 G N -0.007 108.758 108.800 -0.058 0.000 2.184 252 G HA2 -0.397 3.563 3.960 -0.000 0.000 0.264 252 G HA3 -0.397 3.563 3.960 -0.000 0.000 0.264 252 G C 1.305 176.170 174.900 -0.059 0.000 0.975 252 G CA 1.050 46.105 45.100 -0.075 0.000 0.642 252 G HN 0.759 nan 8.290 nan 0.000 0.536 253 S N -0.324 115.360 115.700 -0.026 0.000 2.469 253 S HA 0.323 4.793 4.470 -0.000 0.000 0.238 253 S C 2.319 176.910 174.600 -0.014 0.000 0.998 253 S CA 1.389 59.590 58.200 0.002 0.000 0.957 253 S CB -0.127 63.080 63.200 0.013 0.000 0.764 253 S HN 1.709 nan 8.310 nan 0.000 0.514 254 A N 0.993 123.780 122.820 -0.056 0.000 2.132 254 A HA 0.378 4.698 4.320 -0.000 0.000 0.213 254 A C 2.146 179.652 177.584 -0.130 0.000 1.154 254 A CA 0.549 52.544 52.037 -0.071 0.000 0.753 254 A CB -0.598 18.360 19.000 -0.071 0.000 0.826 254 A HN 0.381 nan 8.150 nan 0.000 0.469 255 V N -0.919 118.863 119.914 -0.219 0.000 2.278 255 V HA -0.282 3.837 4.120 -0.000 0.000 0.251 255 V C 1.769 177.566 176.094 -0.495 0.000 1.062 255 V CA 2.072 64.115 62.300 -0.429 0.000 1.038 255 V CB -0.875 30.539 31.823 -0.681 0.000 0.646 255 V HN 0.649 nan 8.190 nan 0.000 0.447 256 F N -0.059 119.857 119.950 -0.057 0.000 2.660 256 F HA 0.474 5.001 4.527 -0.000 0.000 0.297 256 F C 1.234 176.987 175.800 -0.078 0.000 1.132 256 F CA 0.142 58.105 58.000 -0.062 0.000 1.372 256 F CB -0.129 38.837 39.000 -0.058 0.000 1.003 256 F HN 0.184 nan 8.300 nan 0.000 0.524 257 G N -0.320 108.484 108.800 0.006 0.000 2.971 257 G HA2 0.371 4.331 3.960 -0.000 0.000 0.235 257 G HA3 0.371 4.331 3.960 -0.000 0.000 0.235 257 G C 0.839 175.684 174.900 -0.092 0.000 1.351 257 G CA -0.598 44.470 45.100 -0.053 0.000 1.039 257 G HN 0.076 nan 8.290 nan 0.000 0.563 258 L N 0.130 121.270 121.223 -0.140 0.000 2.012 258 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 258 L C 3.281 180.094 176.870 -0.095 0.000 1.073 258 L CA 1.800 56.556 54.840 -0.140 0.000 0.748 258 L CB -0.415 41.538 42.059 -0.176 0.000 0.891 258 L HN 0.551 nan 8.230 nan 0.000 0.431 259 A N -0.357 122.419 122.820 -0.074 0.000 2.015 259 A HA 0.017 4.337 4.320 -0.000 0.000 0.219 259 A C 2.075 179.613 177.584 -0.076 0.000 1.163 259 A CA 1.455 53.456 52.037 -0.059 0.000 0.646 259 A CB -0.832 18.143 19.000 -0.042 0.000 0.806 259 A HN 0.454 nan 8.150 nan 0.000 0.448 260 G N 0.269 109.013 108.800 -0.094 0.000 2.672 260 G HA2 0.230 4.190 3.960 -0.000 0.000 0.200 260 G HA3 0.230 4.190 3.960 -0.000 0.000 0.200 260 G C 1.276 176.123 174.900 -0.089 0.000 1.819 260 G CA 0.476 45.505 45.100 -0.118 0.000 0.902 260 G HN 0.752 nan 8.290 nan 0.000 0.512 261 L N 0.660 121.841 121.223 -0.071 0.000 2.131 261 L HA 0.214 4.553 4.340 -0.000 0.000 0.210 261 L C 2.542 179.390 176.870 -0.038 0.000 1.092 261 L CA 2.220 57.045 54.840 -0.024 0.000 0.759 261 L CB -1.453 40.636 42.059 0.050 0.000 0.903 261 L HN 0.276 nan 8.230 nan 0.000 0.435 262 G N -0.307 108.457 108.800 -0.060 0.000 2.480 262 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.216 262 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.216 262 G C 1.346 176.189 174.900 -0.095 0.000 1.200 262 G CA 1.039 46.089 45.100 -0.083 0.000 0.782 262 G HN 0.489 nan 8.290 nan 0.000 0.554 263 D N -0.215 120.130 120.400 -0.092 0.000 2.178 263 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 263 D C 2.426 178.682 176.300 -0.074 0.000 0.974 263 D CA 0.411 54.351 54.000 -0.099 0.000 0.841 263 D CB -0.223 40.529 40.800 -0.081 0.000 0.953 263 D HN 0.175 nan 8.370 nan 0.000 0.478 264 L N 0.915 122.107 121.223 -0.051 0.000 2.017 264 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 264 L C 2.320 179.183 176.870 -0.011 0.000 1.073 264 L CA 2.172 56.998 54.840 -0.022 0.000 0.745 264 L CB -1.100 40.947 42.059 -0.020 0.000 0.894 264 L HN 0.060 nan 8.230 nan 0.000 0.432 265 Q N -0.614 119.172 119.800 -0.023 0.000 2.124 265 Q HA -0.216 4.123 4.340 -0.000 0.000 0.202 265 Q C 2.052 178.032 176.000 -0.033 0.000 0.977 265 Q CA 2.325 58.120 55.803 -0.014 0.000 0.850 265 Q CB -1.160 27.569 28.738 -0.017 0.000 0.901 265 Q HN 0.512 nan 8.270 nan 0.000 0.429 266 L N 0.627 121.795 121.223 -0.091 0.000 2.005 266 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 266 L C 2.007 178.831 176.870 -0.076 0.000 1.072 266 L CA 2.476 57.208 54.840 -0.180 0.000 0.744 266 L CB -0.963 40.878 42.059 -0.364 0.000 0.895 266 L HN 0.330 nan 8.230 nan 0.000 0.433 267 T N -1.470 113.071 114.554 -0.021 0.000 2.833 267 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 267 T C 1.840 176.620 174.700 0.134 0.000 1.054 267 T CA 1.581 63.741 62.100 0.100 0.000 1.135 267 T CB -0.711 68.199 68.868 0.070 0.000 0.869 267 T HN 0.475 nan 8.240 nan 0.000 0.466 268 C N 1.382 120.743 119.300 0.101 0.000 2.539 268 C HA 0.169 4.629 4.460 -0.000 0.000 0.268 268 C C 2.509 177.590 174.990 0.151 0.000 1.395 268 C CA 0.109 59.216 59.018 0.148 0.000 1.757 268 C CB -0.981 26.826 27.740 0.112 0.000 1.851 268 C HN 0.436 nan 8.230 nan 0.000 0.545 269 S N -0.405 115.341 115.700 0.076 0.000 2.554 269 S HA 0.046 4.516 4.470 -0.000 0.000 0.226 269 S C 0.797 175.365 174.600 -0.054 0.000 0.980 269 S CA 0.100 58.304 58.200 0.007 0.000 0.939 269 S CB 0.049 63.256 63.200 0.012 0.000 0.832 269 S HN 0.492 nan 8.310 nan 0.000 0.486 270 S N 2.208 117.917 115.700 0.015 0.000 3.483 270 S HA 0.161 4.631 4.470 -0.000 0.000 0.274 270 S C 1.039 175.444 174.600 -0.325 0.000 1.289 270 S CA -0.545 57.660 58.200 0.009 0.000 0.938 270 S CB -0.157 63.181 63.200 0.230 0.000 1.453 270 S HN 0.384 nan 8.310 nan 0.000 0.494 271 E N 2.823 122.636 120.200 -0.644 0.000 2.209 271 E HA -0.131 4.219 4.350 -0.000 0.000 0.196 271 E C 1.099 177.462 176.600 -0.394 0.000 0.993 271 E CA 1.017 56.722 56.400 -1.159 0.000 0.819 271 E CB -0.050 29.169 29.700 -0.802 0.000 0.745 271 E HN 0.682 nan 8.360 nan 0.000 0.477 272 L N 1.169 122.272 121.223 -0.199 0.000 2.592 272 L HA 0.059 4.399 4.340 -0.000 0.000 0.227 272 L C 1.130 177.986 176.870 -0.023 0.000 1.127 272 L CA -0.387 54.412 54.840 -0.070 0.000 0.884 272 L CB -0.058 41.950 42.059 -0.086 0.000 1.065 272 L HN 0.006 nan 8.230 nan 0.000 0.457 273 S N -0.508 115.184 115.700 -0.013 0.000 2.584 273 S HA 0.051 4.520 4.470 -0.000 0.000 0.270 273 S C 1.154 175.817 174.600 0.105 0.000 1.346 273 S CA -0.477 57.743 58.200 0.033 0.000 1.018 273 S CB 1.331 64.568 63.200 0.061 0.000 0.899 273 S HN 0.242 nan 8.310 nan 0.000 0.542 274 R N 1.167 121.714 120.500 0.079 0.000 2.115 274 R HA -0.104 4.236 4.340 -0.000 0.000 0.230 274 R C 1.570 177.928 176.300 0.096 0.000 1.111 274 R CA 1.416 57.565 56.100 0.081 0.000 0.976 274 R CB -0.400 29.937 30.300 0.062 0.000 0.870 274 R HN 0.740 nan 8.270 nan 0.000 0.445 275 N N 0.216 118.983 118.700 0.112 0.000 2.084 275 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 275 N C 1.535 177.120 175.510 0.124 0.000 1.030 275 N CA 1.292 54.406 53.050 0.107 0.000 0.849 275 N CB -0.469 38.089 38.487 0.118 0.000 1.012 275 N HN 0.168 nan 8.380 nan 0.000 0.423 276 F N 2.141 122.109 119.950 0.030 0.000 2.102 276 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 276 F C 2.661 178.473 175.800 0.019 0.000 1.105 276 F CA 1.965 59.981 58.000 0.028 0.000 1.239 276 F CB -0.689 38.330 39.000 0.032 0.000 0.991 276 F HN 0.112 nan 8.300 nan 0.000 0.474 277 T N -2.169 112.522 114.554 0.229 0.000 2.746 277 T HA -0.179 4.171 4.350 -0.000 0.000 0.267 277 T C 2.019 176.726 174.700 0.011 0.000 1.039 277 T CA 1.598 63.770 62.100 0.120 0.000 1.142 277 T CB -1.325 67.612 68.868 0.116 0.000 0.866 277 T HN 0.131 nan 8.240 nan 0.000 0.444 278 V N 2.097 122.017 119.914 0.010 0.000 2.343 278 V HA -0.020 4.100 4.120 -0.000 0.000 0.247 278 V C 3.120 179.176 176.094 -0.062 0.000 1.051 278 V CA 1.905 64.194 62.300 -0.019 0.000 1.036 278 V CB -1.520 30.301 31.823 -0.004 0.000 0.654 278 V HN 0.702 nan 8.190 nan 0.000 0.451 279 G N -0.578 108.162 108.800 -0.100 0.000 2.418 279 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.217 279 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.217 279 G C 1.641 176.421 174.900 -0.200 0.000 1.158 279 G CA 1.054 46.061 45.100 -0.155 0.000 0.771 279 G HN 0.499 nan 8.290 nan 0.000 0.545 280 K N 0.576 120.820 120.400 -0.261 0.000 2.057 280 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 280 K C 2.443 178.980 176.600 -0.105 0.000 1.049 280 K CA 1.348 57.505 56.287 -0.215 0.000 0.931 280 K CB -0.172 32.222 32.500 -0.176 0.000 0.714 280 K HN 0.211 nan 8.250 nan 0.000 0.440 281 K N 0.495 120.852 120.400 -0.072 0.000 2.147 281 K HA -0.087 4.232 4.320 -0.000 0.000 0.205 281 K C 2.117 178.685 176.600 -0.054 0.000 1.049 281 K CA 1.164 57.423 56.287 -0.047 0.000 0.936 281 K CB -0.058 32.423 32.500 -0.032 0.000 0.722 281 K HN 0.173 nan 8.250 nan 0.000 0.446 282 L N -0.131 121.052 121.223 -0.067 0.000 2.093 282 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 282 L C 2.484 179.316 176.870 -0.063 0.000 1.085 282 L CA 1.247 56.048 54.840 -0.065 0.000 0.755 282 L CB -0.652 41.364 42.059 -0.070 0.000 0.904 282 L HN 0.326 nan 8.230 nan 0.000 0.435 283 G N -0.274 108.481 108.800 -0.076 0.000 2.471 283 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 283 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 283 G C 1.561 176.431 174.900 -0.049 0.000 1.125 283 G CA 0.226 45.285 45.100 -0.068 0.000 0.775 283 G HN 0.296 nan 8.290 nan 0.000 0.548 284 K N -0.160 120.212 120.400 -0.046 0.000 2.444 284 K HA 0.255 4.575 4.320 -0.000 0.000 0.193 284 K C 1.544 178.127 176.600 -0.028 0.000 1.024 284 K CA 0.376 56.644 56.287 -0.032 0.000 1.077 284 K CB 0.333 32.818 32.500 -0.026 0.000 0.833 284 K HN 0.301 nan 8.250 nan 0.000 0.517 285 G N 1.329 110.109 108.800 -0.034 0.000 2.175 285 G HA2 -0.238 3.721 3.960 -0.000 0.000 0.244 285 G HA3 -0.238 3.721 3.960 -0.000 0.000 0.244 285 G C 0.036 174.917 174.900 -0.032 0.000 0.982 285 G CA -0.390 44.692 45.100 -0.031 0.000 0.641 285 G HN 0.151 nan 8.290 nan 0.000 0.527 286 L N 2.783 123.986 121.223 -0.034 0.000 2.367 286 L HA 0.355 4.694 4.340 -0.000 0.000 0.275 286 L C -1.177 175.668 176.870 -0.042 0.000 1.129 286 L CA -1.757 53.062 54.840 -0.033 0.000 0.839 286 L CB 0.625 42.666 42.059 -0.030 0.000 1.133 286 L HN 0.037 nan 8.230 nan 0.000 0.453 287 P HA 0.005 nan 4.420 nan 0.000 0.271 287 P C 0.760 178.024 177.300 -0.060 0.000 1.218 287 P CA -0.404 62.665 63.100 -0.052 0.000 0.780 287 P CB 1.435 33.108 31.700 -0.045 0.000 0.901 288 I N 2.552 123.074 120.570 -0.079 0.000 2.194 288 I HA -0.303 3.867 4.170 -0.000 0.000 0.246 288 I C 1.822 177.890 176.117 -0.081 0.000 1.093 288 I CA 1.926 63.170 61.300 -0.094 0.000 1.355 288 I CB -0.686 37.227 38.000 -0.146 0.000 1.046 288 I HN 0.285 nan 8.210 nan 0.000 0.413 289 E N 0.380 120.535 120.200 -0.075 0.000 2.049 289 E HA -0.307 4.043 4.350 -0.000 0.000 0.198 289 E C 2.121 178.696 176.600 -0.043 0.000 1.007 289 E CA 1.759 58.124 56.400 -0.058 0.000 0.809 289 E CB -0.472 29.199 29.700 -0.049 0.000 0.749 289 E HN 0.621 nan 8.360 nan 0.000 0.450 290 E N 0.640 120.817 120.200 -0.038 0.000 2.085 290 E HA -0.159 4.191 4.350 -0.000 0.000 0.194 290 E C 1.870 178.455 176.600 -0.026 0.000 0.994 290 E CA 1.234 57.617 56.400 -0.028 0.000 0.801 290 E CB -0.293 29.392 29.700 -0.026 0.000 0.743 290 E HN 0.336 nan 8.360 nan 0.000 0.453 291 I N 0.593 121.144 120.570 -0.032 0.000 2.226 291 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 291 I C 0.911 177.015 176.117 -0.022 0.000 1.100 291 I CA 0.842 62.126 61.300 -0.026 0.000 1.374 291 I CB -0.427 37.552 38.000 -0.034 0.000 1.057 291 I HN 0.116 nan 8.210 nan 0.000 0.413 292 Q N 2.638 122.420 119.800 -0.031 0.000 2.318 292 Q HA 0.048 4.388 4.340 -0.000 0.000 0.270 292 Q C -0.470 175.523 176.000 -0.011 0.000 1.237 292 Q CA 0.419 56.208 55.803 -0.024 0.000 0.937 292 Q CB 0.207 28.921 28.738 -0.039 0.000 1.375 292 Q HN 0.226 nan 8.270 nan 0.000 0.452 298 V N 2.518 122.457 119.914 0.042 0.000 2.352 298 V HA 0.489 4.609 4.120 -0.000 0.000 0.253 298 V C 1.048 177.171 176.094 0.049 0.000 1.083 298 V CA 0.385 62.710 62.300 0.041 0.000 0.993 298 V CB 0.355 32.207 31.823 0.047 0.000 1.111 298 V HN 1.320 nan 8.190 nan 0.000 0.490 299 A N 4.102 126.948 122.820 0.044 0.000 2.401 299 A HA 0.404 4.723 4.320 -0.000 0.000 0.259 299 A C 1.301 178.920 177.584 0.059 0.000 1.103 299 A CA -0.412 51.657 52.037 0.054 0.000 0.789 299 A CB 0.333 19.364 19.000 0.051 0.000 1.035 299 A HN 0.750 nan 8.150 nan 0.000 0.491 300 E N 2.543 122.780 120.200 0.062 0.000 2.130 300 E HA -0.178 4.171 4.350 -0.000 0.000 0.196 300 E C 2.093 178.734 176.600 0.068 0.000 0.998 300 E CA 1.656 58.092 56.400 0.060 0.000 0.806 300 E CB -0.547 29.187 29.700 0.057 0.000 0.738 300 E HN 0.885 nan 8.360 nan 0.000 0.459 301 G N 0.916 109.761 108.800 0.074 0.000 2.440 301 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.218 301 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.218 301 G C 1.861 176.828 174.900 0.113 0.000 1.154 301 G CA 1.015 46.166 45.100 0.084 0.000 0.767 301 G HN 0.215 nan 8.290 nan 0.000 0.552 302 V N 1.447 121.426 119.914 0.108 0.000 2.307 302 V HA -0.107 4.013 4.120 -0.000 0.000 0.245 302 V C 3.321 179.553 176.094 0.231 0.000 1.045 302 V CA 2.050 64.442 62.300 0.153 0.000 1.024 302 V CB -0.859 30.996 31.823 0.053 0.000 0.651 302 V HN 0.466 nan 8.190 nan 0.000 0.449 303 A N -0.430 122.476 122.820 0.143 0.000 1.972 303 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 303 A C 2.335 179.980 177.584 0.101 0.000 1.169 303 A CA 2.351 54.466 52.037 0.130 0.000 0.635 303 A CB -0.765 18.273 19.000 0.063 0.000 0.810 303 A HN 0.525 nan 8.150 nan 0.000 0.446 304 T N -0.116 114.486 114.554 0.080 0.000 3.014 304 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 304 T C 2.183 176.895 174.700 0.021 0.000 1.078 304 T CA 0.919 63.039 62.100 0.033 0.000 1.135 304 T CB -0.253 68.636 68.868 0.037 0.000 0.895 304 T HN 0.561 nan 8.240 nan 0.000 0.480 305 A N 1.882 124.753 122.820 0.084 0.000 1.940 305 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 305 A C 2.041 179.555 177.584 -0.118 0.000 1.176 305 A CA 2.219 54.297 52.037 0.068 0.000 0.631 305 A CB -0.796 18.349 19.000 0.242 0.000 0.814 305 A HN 0.541 nan 8.150 nan 0.000 0.446 306 D N -0.745 119.509 120.400 -0.242 0.000 2.077 306 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 306 D C -0.424 175.692 176.300 -0.306 0.000 0.986 306 D CA 1.549 55.288 54.000 -0.436 0.000 0.829 306 D CB -0.484 40.076 40.800 -0.401 0.000 0.983 306 D HN 0.322 nan 8.370 nan 0.000 0.453 307 P HA -0.132 nan 4.420 nan 0.000 0.218 307 P C 1.845 179.038 177.300 -0.178 0.000 1.149 307 P CA 0.779 63.776 63.100 -0.172 0.000 0.817 307 P CB -0.024 31.587 31.700 -0.149 0.000 0.785 308 L N -0.622 120.508 121.223 -0.156 0.000 2.017 308 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 308 L C 2.480 179.266 176.870 -0.141 0.000 1.073 308 L CA 1.906 56.680 54.840 -0.110 0.000 0.745 308 L CB -1.366 40.662 42.059 -0.051 0.000 0.894 308 L HN -0.135 nan 8.230 nan 0.000 0.432 309 M N -0.495 118.959 119.600 -0.242 0.000 2.117 309 M HA -0.204 4.275 4.480 -0.000 0.000 0.262 309 M C 2.351 178.499 176.300 -0.254 0.000 1.065 309 M CA 1.744 56.859 55.300 -0.308 0.000 1.114 309 M CB -0.651 31.531 32.600 -0.697 0.000 1.361 309 M HN 0.334 nan 8.290 nan 0.000 0.408 310 R N -0.197 120.150 120.500 -0.255 0.000 2.092 310 R HA -0.137 4.203 4.340 -0.000 0.000 0.231 310 R C 2.221 178.446 176.300 -0.125 0.000 1.119 310 R CA 1.314 57.306 56.100 -0.180 0.000 0.970 310 R CB -0.637 29.564 30.300 -0.164 0.000 0.864 310 R HN 0.349 nan 8.270 nan 0.000 0.440 311 L N 0.811 121.964 121.223 -0.116 0.000 2.056 311 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 311 L C 2.251 179.090 176.870 -0.052 0.000 1.078 311 L CA 1.764 56.560 54.840 -0.074 0.000 0.749 311 L CB -0.601 41.420 42.059 -0.063 0.000 0.901 311 L HN 0.089 nan 8.230 nan 0.000 0.433 312 A N -0.338 122.445 122.820 -0.062 0.000 1.883 312 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 312 A C 2.470 180.016 177.584 -0.064 0.000 1.186 312 A CA 2.098 54.104 52.037 -0.051 0.000 0.624 312 A CB -0.678 18.288 19.000 -0.056 0.000 0.822 312 A HN 0.513 nan 8.150 nan 0.000 0.444 313 K N -0.614 119.733 120.400 -0.087 0.000 2.057 313 K HA -0.231 4.088 4.320 -0.000 0.000 0.207 313 K C 2.300 178.862 176.600 -0.064 0.000 1.049 313 K CA 1.730 57.966 56.287 -0.084 0.000 0.931 313 K CB -0.225 32.216 32.500 -0.099 0.000 0.714 313 K HN 0.603 nan 8.250 nan 0.000 0.440 314 Q N 0.272 120.036 119.800 -0.060 0.000 2.181 314 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 314 Q C 1.563 177.542 176.000 -0.036 0.000 0.980 314 Q CA 1.354 57.130 55.803 -0.046 0.000 0.862 314 Q CB 0.096 28.807 28.738 -0.046 0.000 0.905 314 Q HN 0.395 nan 8.270 nan 0.000 0.429 315 L N -0.201 121.002 121.223 -0.033 0.000 2.640 315 L HA 0.121 4.461 4.340 -0.000 0.000 0.230 315 L C -0.019 176.834 176.870 -0.029 0.000 1.123 315 L CA -0.157 54.668 54.840 -0.024 0.000 0.900 315 L CB 0.437 42.488 42.059 -0.014 0.000 1.146 315 L HN 0.043 nan 8.230 nan 0.000 0.484 316 K N 0.355 120.732 120.400 -0.038 0.000 3.125 316 K HA -0.122 4.197 4.320 -0.000 0.000 0.268 316 K C -0.677 175.900 176.600 -0.038 0.000 1.078 316 K CA 0.261 56.524 56.287 -0.040 0.000 0.775 316 K CB -2.235 30.245 32.500 -0.033 0.000 1.253 316 K HN 0.088 nan 8.250 nan 0.000 0.486 317 V N 1.428 121.318 119.914 -0.039 0.000 2.347 317 V HA 0.182 4.301 4.120 -0.000 0.000 0.280 317 V C 0.772 176.842 176.094 -0.040 0.000 1.021 317 V CA -0.641 61.640 62.300 -0.033 0.000 0.847 317 V CB 1.477 33.286 31.823 -0.023 0.000 0.990 317 V HN 0.093 nan 8.190 nan 0.000 0.444 318 K N 5.905 126.283 120.400 -0.037 0.000 2.339 318 K HA 0.510 4.830 4.320 -0.000 0.000 0.286 318 K C -0.408 176.182 176.600 -0.016 0.000 1.050 318 K CA 0.136 56.398 56.287 -0.041 0.000 0.956 318 K CB 0.642 33.121 32.500 -0.035 0.000 0.990 318 K HN 0.596 nan 8.250 nan 0.000 0.475 319 M N 4.846 124.445 119.600 -0.002 0.000 2.126 319 M HA 0.166 4.646 4.480 -0.000 0.000 0.217 319 M C -2.200 174.144 176.300 0.073 0.000 0.873 319 M CA -1.845 53.473 55.300 0.029 0.000 0.707 319 M CB 1.456 34.074 32.600 0.029 0.000 1.515 319 M HN 0.227 nan 8.290 nan 0.000 0.369 320 P HA -0.226 nan 4.420 nan 0.000 0.214 320 P C 1.379 178.743 177.300 0.107 0.000 1.172 320 P CA 1.715 64.871 63.100 0.092 0.000 0.925 320 P CB 0.215 31.949 31.700 0.057 0.000 0.793 321 L N -1.482 119.784 121.223 0.073 0.000 1.994 321 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 321 L C 2.694 179.606 176.870 0.071 0.000 1.071 321 L CA 1.734 56.610 54.840 0.060 0.000 0.745 321 L CB -1.286 40.800 42.059 0.045 0.000 0.892 321 L HN 0.082 nan 8.230 nan 0.000 0.431 322 C N -1.221 118.127 119.300 0.080 0.000 2.422 322 C HA -0.199 4.261 4.460 -0.000 0.000 0.279 322 C C 2.786 177.855 174.990 0.131 0.000 1.305 322 C CA 0.944 60.015 59.018 0.088 0.000 1.757 322 C CB -1.197 26.585 27.740 0.069 0.000 1.962 322 C HN 0.573 nan 8.230 nan 0.000 0.499 323 H N 0.740 119.844 119.070 0.058 0.000 2.357 323 H HA -0.090 4.466 4.556 -0.000 0.000 0.301 323 H C 2.288 177.697 175.328 0.135 0.000 1.082 323 H CA 1.708 57.809 56.048 0.089 0.000 1.342 323 H CB -0.216 29.576 29.762 0.050 0.000 1.389 323 H HN 0.309 nan 8.280 nan 0.000 0.511 324 Q N 0.205 119.971 119.800 -0.056 0.000 2.119 324 Q HA -0.074 4.266 4.340 -0.000 0.000 0.201 324 Q C 2.682 178.640 176.000 -0.070 0.000 0.972 324 Q CA 1.321 57.056 55.803 -0.113 0.000 0.847 324 Q CB -0.135 28.593 28.738 -0.016 0.000 0.903 324 Q HN 0.598 nan 8.270 nan 0.000 0.433 325 I N -0.240 120.332 120.570 0.002 0.000 2.315 325 I HA -0.274 3.896 4.170 -0.000 0.000 0.248 325 I C 2.253 178.404 176.117 0.055 0.000 1.117 325 I CA 1.013 62.328 61.300 0.025 0.000 1.404 325 I CB -0.361 37.670 38.000 0.053 0.000 1.071 325 I HN 0.121 nan 8.210 nan 0.000 0.419 326 Y N 2.140 122.415 120.300 -0.041 0.000 2.181 326 Y HA -0.228 4.322 4.550 -0.000 0.000 0.288 326 Y C 2.460 178.363 175.900 0.005 0.000 1.146 326 Y CA 1.525 59.617 58.100 -0.013 0.000 1.164 326 Y CB -0.143 38.263 38.460 -0.090 0.000 0.982 326 Y HN 0.093 nan 8.280 nan 0.000 0.515 327 E N 0.609 120.647 120.200 -0.269 0.000 2.077 327 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 327 E C 2.406 178.877 176.600 -0.214 0.000 0.989 327 E CA 1.653 57.866 56.400 -0.312 0.000 0.800 327 E CB -0.449 29.106 29.700 -0.241 0.000 0.746 327 E HN 0.609 nan 8.360 nan 0.000 0.452 328 I N 0.643 121.130 120.570 -0.138 0.000 2.226 328 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 328 I C 2.399 178.454 176.117 -0.104 0.000 1.100 328 I CA 0.848 62.089 61.300 -0.099 0.000 1.374 328 I CB -0.210 37.749 38.000 -0.068 0.000 1.057 328 I HN -0.058 nan 8.210 nan 0.000 0.413 329 V N -0.517 119.348 119.914 -0.082 0.000 2.407 329 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 329 V C 1.943 177.911 176.094 -0.211 0.000 1.041 329 V CA 1.769 64.015 62.300 -0.089 0.000 1.040 329 V CB -0.578 31.275 31.823 0.050 0.000 0.671 329 V HN 0.309 nan 8.190 nan 0.000 0.455 330 Y N -0.587 119.491 120.300 -0.371 0.000 2.507 330 Y HA 0.245 4.794 4.550 -0.000 0.000 0.263 330 Y C 1.698 177.406 175.900 -0.320 0.000 1.093 330 Y CA 0.235 58.105 58.100 -0.383 0.000 1.285 330 Y CB 0.438 38.521 38.460 -0.628 0.000 1.115 330 Y HN 0.074 nan 8.280 nan 0.000 0.533 331 K N 0.518 120.797 120.400 -0.202 0.000 2.618 331 K HA 0.176 4.496 4.320 -0.000 0.000 0.207 331 K C -0.139 176.403 176.600 -0.098 0.000 1.058 331 K CA -0.115 56.094 56.287 -0.130 0.000 1.086 331 K CB 0.227 32.646 32.500 -0.134 0.000 0.827 331 K HN 0.183 nan 8.250 nan 0.000 0.481 332 K N 1.093 121.432 120.400 -0.102 0.000 2.948 332 K HA -0.250 4.070 4.320 -0.000 0.000 0.253 332 K C 0.104 176.663 176.600 -0.067 0.000 0.970 332 K CA 0.792 57.031 56.287 -0.080 0.000 0.716 332 K CB -1.103 31.360 32.500 -0.062 0.000 1.249 332 K HN 0.235 nan 8.250 nan 0.000 0.483 333 K N 1.845 122.198 120.400 -0.078 0.000 2.350 333 K HA 0.042 4.361 4.320 -0.000 0.000 0.279 333 K C 0.211 176.779 176.600 -0.053 0.000 1.027 333 K CA -0.419 55.830 56.287 -0.062 0.000 0.969 333 K CB 0.539 32.995 32.500 -0.074 0.000 0.954 333 K HN 0.090 nan 8.250 nan 0.000 0.474 334 N N 4.896 123.573 118.700 -0.039 0.000 2.452 334 N HA 0.003 4.743 4.740 -0.000 0.000 0.266 334 N C -1.994 173.496 175.510 -0.034 0.000 1.209 334 N CA -1.377 51.652 53.050 -0.034 0.000 0.929 334 N CB 1.143 39.615 38.487 -0.025 0.000 1.063 334 N HN 0.418 nan 8.380 nan 0.000 0.472 335 P HA -0.151 nan 4.420 nan 0.000 0.216 335 P C 1.192 178.476 177.300 -0.026 0.000 1.154 335 P CA 1.459 64.537 63.100 -0.036 0.000 0.865 335 P CB 0.217 31.893 31.700 -0.040 0.000 0.789 336 R N -0.660 119.827 120.500 -0.021 0.000 2.092 336 R HA -0.118 4.222 4.340 -0.000 0.000 0.231 336 R C 1.730 178.024 176.300 -0.010 0.000 1.119 336 R CA 1.617 57.708 56.100 -0.014 0.000 0.970 336 R CB -0.555 29.738 30.300 -0.012 0.000 0.864 336 R HN 0.117 nan 8.270 nan 0.000 0.440 337 D N -0.096 120.297 120.400 -0.012 0.000 2.149 337 D HA -0.077 4.562 4.640 -0.000 0.000 0.201 337 D C 1.686 177.982 176.300 -0.005 0.000 0.972 337 D CA 1.383 55.379 54.000 -0.007 0.000 0.835 337 D CB -0.267 40.528 40.800 -0.009 0.000 0.966 337 D HN 0.308 nan 8.370 nan 0.000 0.476 338 A N 1.136 123.948 122.820 -0.013 0.000 1.883 338 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 338 A C 2.248 179.832 177.584 -0.000 0.000 1.186 338 A CA 0.940 52.969 52.037 -0.013 0.000 0.624 338 A CB -0.896 18.087 19.000 -0.029 0.000 0.822 338 A HN 0.275 nan 8.150 nan 0.000 0.444 339 L N -0.727 120.494 121.223 -0.003 0.000 2.012 339 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 339 L C 2.906 179.781 176.870 0.008 0.000 1.073 339 L CA 1.746 56.588 54.840 0.002 0.000 0.748 339 L CB -0.532 41.526 42.059 -0.002 0.000 0.891 339 L HN 0.441 nan 8.230 nan 0.000 0.431 340 A N -0.438 122.386 122.820 0.006 0.000 1.933 340 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 340 A C 1.791 179.383 177.584 0.014 0.000 1.175 340 A CA 1.981 54.023 52.037 0.009 0.000 0.628 340 A CB -0.617 18.387 19.000 0.006 0.000 0.814 340 A HN 0.504 nan 8.150 nan 0.000 0.444 341 D N 0.017 120.427 120.400 0.018 0.000 2.117 341 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 341 D C 1.885 178.204 176.300 0.033 0.000 0.987 341 D CA 0.864 54.881 54.000 0.028 0.000 0.829 341 D CB -0.378 40.444 40.800 0.036 0.000 0.961 341 D HN 0.432 nan 8.370 nan 0.000 0.460 342 L N 0.076 121.318 121.223 0.032 0.000 2.079 342 L HA -0.117 4.223 4.340 -0.000 0.000 0.210 342 L C 2.007 178.893 176.870 0.027 0.000 1.081 342 L CA 0.769 55.630 54.840 0.035 0.000 0.752 342 L CB -0.130 41.948 42.059 0.030 0.000 0.896 342 L HN 0.064 nan 8.230 nan 0.000 0.433 343 L N -1.161 120.074 121.223 0.021 0.000 2.592 343 L HA 0.026 4.366 4.340 -0.000 0.000 0.227 343 L C 2.293 179.172 176.870 0.015 0.000 1.127 343 L CA 0.229 55.079 54.840 0.017 0.000 0.884 343 L CB -0.208 41.859 42.059 0.014 0.000 1.065 343 L HN 0.244 nan 8.230 nan 0.000 0.457 344 S N -0.808 114.903 115.700 0.017 0.000 2.561 344 S HA -0.137 4.333 4.470 -0.000 0.000 0.225 344 S C 2.111 176.719 174.600 0.014 0.000 0.977 344 S CA 0.444 58.653 58.200 0.015 0.000 0.926 344 S CB -0.913 62.297 63.200 0.017 0.000 0.769 344 S HN 0.630 nan 8.310 nan 0.000 0.533 345 C N 0.616 119.926 119.300 0.016 0.000 2.411 345 C HA 0.484 4.944 4.460 -0.000 0.000 0.279 345 C C 1.775 176.771 174.990 0.010 0.000 1.288 345 C CA -0.449 58.577 59.018 0.013 0.000 1.764 345 C CB -2.089 25.660 27.740 0.015 0.000 1.974 345 C HN 1.098 nan 8.230 nan 0.000 0.498 346 G N 0.042 108.848 108.800 0.010 0.000 2.655 346 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.680 346 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.680 346 G C -0.750 174.155 174.900 0.008 0.000 1.302 346 G CA -0.428 44.676 45.100 0.008 0.000 0.872 346 G HN 0.765 nan 8.290 nan 0.000 0.540 347 L N 0.921 122.147 121.223 0.007 0.000 2.513 347 L HA 0.340 4.680 4.340 -0.000 0.000 0.272 347 L C 1.034 177.908 176.870 0.006 0.000 1.187 347 L CA 0.400 55.244 54.840 0.006 0.000 0.895 347 L CB 0.264 42.326 42.059 0.005 0.000 1.147 347 L HN 0.661 nan 8.230 nan 0.000 0.483 348 Q N 1.749 121.553 119.800 0.006 0.000 2.544 348 Q HA 0.407 4.746 4.340 -0.000 0.000 0.291 348 Q C -1.486 174.517 176.000 0.004 0.000 1.068 348 Q CA -1.135 54.671 55.803 0.005 0.000 0.785 348 Q CB 2.273 31.015 28.738 0.007 0.000 1.481 348 Q HN 0.466 nan 8.270 nan 0.000 0.430 349 D N 0.961 121.363 120.400 0.003 0.000 2.329 349 D HA -0.001 4.639 4.640 -0.000 0.000 0.246 349 D C 0.515 176.817 176.300 0.003 0.000 1.111 349 D CA -0.031 53.969 54.000 0.001 0.000 0.941 349 D CB 1.047 41.846 40.800 -0.001 0.000 1.169 349 D HN 0.656 nan 8.370 nan 0.000 0.441 350 E N 0.633 120.833 120.200 0.001 0.000 2.267 350 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 350 E C 0.918 177.521 176.600 0.005 0.000 0.998 350 E CA 0.934 57.335 56.400 0.003 0.000 0.830 350 E CB -0.186 29.513 29.700 -0.002 0.000 0.751 350 E HN 0.761 nan 8.360 nan 0.000 0.491 351 G N 0.448 109.248 108.800 0.001 0.000 2.176 351 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.252 351 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.252 351 G C -0.133 174.769 174.900 0.004 0.000 1.024 351 G CA 0.457 45.559 45.100 0.003 0.000 0.755 351 G HN 0.236 nan 8.290 nan 0.000 0.507 352 L N 1.461 122.678 121.223 -0.010 0.000 2.307 352 L HA 0.512 4.852 4.340 -0.000 0.000 0.284 352 L C -1.018 175.826 176.870 -0.044 0.000 1.023 352 L CA -1.965 52.861 54.840 -0.024 0.000 0.810 352 L CB 1.611 43.640 42.059 -0.050 0.000 1.231 352 L HN 0.094 nan 8.230 nan 0.000 0.423 353 P HA 0.296 nan 4.420 nan 0.000 0.274 353 P C -2.621 174.616 177.300 -0.105 0.000 1.237 353 P CA -1.011 62.052 63.100 -0.061 0.000 0.793 353 P CB -0.034 31.637 31.700 -0.049 0.000 0.977 354 P HA 0.197 nan 4.420 nan 0.000 0.274 354 P C 0.526 177.682 177.300 -0.241 0.000 1.231 354 P CA -0.301 62.715 63.100 -0.139 0.000 0.790 354 P CB 1.294 32.950 31.700 -0.074 0.000 0.951 355 L N 0.116 121.068 121.223 -0.452 0.000 2.354 355 L HA 0.163 4.502 4.340 -0.000 0.000 0.212 355 L C 0.369 176.734 176.870 -0.843 0.000 1.091 355 L CA 0.665 55.038 54.840 -0.778 0.000 0.828 355 L CB -0.212 41.080 42.059 -1.278 0.000 0.973 355 L HN 0.241 nan 8.230 nan 0.000 0.461 356 F N -0.408 119.525 119.950 -0.028 0.000 2.520 356 F HA 0.507 5.034 4.527 -0.000 0.000 0.322 356 F C 0.181 175.971 175.800 -0.016 0.000 1.103 356 F CA -1.285 56.702 58.000 -0.020 0.000 0.926 356 F CB 1.113 40.100 39.000 -0.021 0.000 1.154 356 F HN -0.357 nan 8.300 nan 0.000 0.453 357 K N 0.000 120.493 120.400 0.155 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 357 K CA 0.000 56.336 56.287 0.082 0.000 0.838 357 K CB 0.000 32.531 32.500 0.052 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543