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 3nzg_1_B DATA FIRST_RESID 5 DATA SEQUENCE LNPAVAPIKS IEFIPVNYQX XXXSQNTVVV KVTDENGVYG LGEADGSPDA DATA SEQUENCE ILAYANIETE HKWLTNITEK AIGRLPIEIN AIWDAXYDAT QWQGXRGLGX DATA SEQUENCE FALSGIDXAL YDLAGKQLGV PAYQLLGGTN KDKVHPYLTL YPAIPXDASL DATA SEQUENCE DVAIKGYAPL LEKAKAHNIR AVKVCVPIKA DWSTKEVAYY LRELRGILGH DATA SEQUENCE DTDXXVDYLY RFTDWYEVAR LLNSIEDLEL YFAEATLQHD DLSGHAKLVE DATA SEQUENCE NTRSRICGAE XSTTRFEAEE WITKGKVHLL QSDYNRCGGL TELRRITEXA DATA SEQUENCE TANNVQVXPH NWKTGITSAA AIHYQFAVGN APYFEYVHPE FCDGELRKYL DATA SEQUENCE VTPEAELVDG GFAKPTAPGL GIDLNQEFLA SL 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 5 L HA 0.000 nan 4.340 nan 0.000 0.249 5 L C 0.000 176.866 176.870 -0.007 0.000 1.165 5 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 5 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 6 N N 1.986 120.680 118.700 -0.009 0.000 2.440 6 N HA 0.136 4.876 4.740 0.001 0.000 0.265 6 N C -1.917 173.586 175.510 -0.011 0.000 1.239 6 N CA -0.691 52.352 53.050 -0.012 0.000 0.909 6 N CB 1.381 39.858 38.487 -0.015 0.000 1.066 6 N HN 0.338 nan 8.380 nan 0.000 0.474 7 P HA 0.019 nan 4.420 nan 0.000 0.219 7 P C 0.775 178.068 177.300 -0.011 0.000 1.150 7 P CA 0.783 63.877 63.100 -0.009 0.000 0.814 7 P CB 0.178 31.873 31.700 -0.008 0.000 0.787 8 A N -0.429 122.382 122.820 -0.015 0.000 2.125 8 A HA -0.067 4.253 4.320 0.001 0.000 0.219 8 A C 1.191 178.763 177.584 -0.020 0.000 1.156 8 A CA 0.822 52.848 52.037 -0.019 0.000 0.671 8 A CB -1.272 17.712 19.000 -0.025 0.000 0.794 8 A HN 0.079 nan 8.150 nan 0.000 0.459 9 V N 1.280 121.184 119.914 -0.018 0.000 2.242 9 V HA 0.406 4.527 4.120 0.001 0.000 0.242 9 V C 0.640 176.728 176.094 -0.011 0.000 1.240 9 V CA 0.041 62.331 62.300 -0.018 0.000 1.211 9 V CB -0.836 30.977 31.823 -0.017 0.000 1.338 9 V HN 0.519 nan 8.190 nan 0.000 0.499 10 A N 7.671 130.485 122.820 -0.009 0.000 2.306 10 A HA 0.883 5.203 4.320 0.001 0.000 0.330 10 A C -2.399 175.185 177.584 0.001 0.000 1.146 10 A CA -1.992 50.043 52.037 -0.003 0.000 0.827 10 A CB 0.952 19.952 19.000 -0.000 0.000 1.178 10 A HN 0.498 nan 8.150 nan 0.000 0.490 11 P HA 0.126 nan 4.420 nan 0.000 0.269 11 P C -0.409 176.899 177.300 0.014 0.000 1.209 11 P CA 0.241 63.347 63.100 0.009 0.000 0.776 11 P CB 0.418 32.123 31.700 0.010 0.000 0.876 12 I N 2.543 123.123 120.570 0.018 0.000 2.683 12 I HA -0.057 4.114 4.170 0.001 0.000 0.286 12 I C 1.907 178.040 176.117 0.027 0.000 1.175 12 I CA 0.486 61.801 61.300 0.026 0.000 1.429 12 I CB 0.302 38.320 38.000 0.030 0.000 1.371 12 I HN 0.517 nan 8.210 nan 0.000 0.569 13 K N 4.427 124.846 120.400 0.032 0.000 2.214 13 K HA 0.077 4.397 4.320 0.001 0.000 0.201 13 K C 0.388 177.007 176.600 0.032 0.000 1.049 13 K CA 0.585 56.889 56.287 0.029 0.000 0.978 13 K CB 0.420 32.938 32.500 0.030 0.000 0.842 13 K HN 0.783 nan 8.250 nan 0.000 0.474 14 S N -0.671 115.053 115.700 0.040 0.000 2.625 14 S HA 0.573 5.044 4.470 0.001 0.000 0.271 14 S C -0.846 173.787 174.600 0.055 0.000 1.161 14 S CA -1.050 57.176 58.200 0.044 0.000 0.820 14 S CB 1.568 64.790 63.200 0.037 0.000 1.137 14 S HN 0.105 nan 8.310 nan 0.000 0.470 15 I N 1.229 121.842 120.570 0.072 0.000 2.571 15 I HA 0.386 4.556 4.170 0.001 0.000 0.286 15 I C -1.004 175.199 176.117 0.143 0.000 1.134 15 I CA -0.345 61.011 61.300 0.092 0.000 1.052 15 I CB 2.059 40.139 38.000 0.134 0.000 1.237 15 I HN 0.957 nan 8.210 nan 0.000 0.435 16 E N 6.273 126.531 120.200 0.097 0.000 2.238 16 E HA 0.573 4.924 4.350 0.001 0.000 0.267 16 E C -1.747 174.941 176.600 0.146 0.000 0.887 16 E CA -0.709 55.791 56.400 0.167 0.000 0.769 16 E CB 2.334 32.083 29.700 0.081 0.000 1.187 16 E HN 0.314 nan 8.360 nan 0.000 0.416 17 F N 2.383 122.353 119.950 0.032 0.000 2.404 17 F HA 0.415 4.942 4.527 0.001 0.000 0.354 17 F C -0.064 175.759 175.800 0.038 0.000 1.122 17 F CA -0.876 57.152 58.000 0.047 0.000 1.080 17 F CB 1.167 40.205 39.000 0.063 0.000 1.131 17 F HN 0.325 nan 8.300 nan 0.000 0.471 18 I N 5.854 126.497 120.570 0.121 0.000 2.405 18 I HA 0.301 4.471 4.170 0.001 0.000 0.280 18 I C -2.539 173.635 176.117 0.096 0.000 1.027 18 I CA -2.197 59.156 61.300 0.089 0.000 1.161 18 I CB 1.100 39.122 38.000 0.036 0.000 1.300 18 I HN 0.259 nan 8.210 nan 0.000 0.463 19 P HA 0.139 nan 4.420 nan 0.000 0.271 19 P C -0.825 176.527 177.300 0.088 0.000 1.216 19 P CA -0.088 63.074 63.100 0.103 0.000 0.776 19 P CB 0.942 32.700 31.700 0.096 0.000 0.881 20 V N 4.176 124.149 119.914 0.099 0.000 2.488 20 V HA 0.328 4.448 4.120 0.001 0.000 0.293 20 V C -0.322 175.851 176.094 0.131 0.000 1.027 20 V CA -0.572 61.794 62.300 0.111 0.000 0.862 20 V CB 1.413 33.315 31.823 0.131 0.000 1.008 20 V HN 0.500 nan 8.190 nan 0.000 0.428 21 N N 2.816 121.589 118.700 0.122 0.000 2.384 21 N HA 0.592 5.332 4.740 0.001 0.000 0.301 21 N C -1.582 174.044 175.510 0.193 0.000 1.133 21 N CA -0.462 52.669 53.050 0.136 0.000 0.853 21 N CB 2.950 41.485 38.487 0.080 0.000 1.241 21 N HN 0.732 nan 8.380 nan 0.000 0.502 22 Y N 0.491 120.831 120.300 0.067 0.000 2.307 22 Y HA 0.316 4.867 4.550 0.001 0.000 0.323 22 Y C -0.105 175.836 175.900 0.069 0.000 1.100 22 Y CA -0.355 57.790 58.100 0.074 0.000 1.140 22 Y CB 0.235 38.787 38.460 0.153 0.000 1.159 22 Y HN 0.585 nan 8.280 nan 0.000 0.436 29 Q N 1.545 121.446 119.800 0.167 0.000 2.241 29 Q HA 0.756 5.096 4.340 0.001 0.000 0.254 29 Q C -0.099 176.001 176.000 0.166 0.000 0.917 29 Q CA -0.928 54.971 55.803 0.160 0.000 0.919 29 Q CB 1.204 30.055 28.738 0.188 0.000 1.237 29 Q HN 0.810 nan 8.270 nan 0.000 0.434 30 N N -0.487 118.289 118.700 0.126 0.000 3.116 30 N HA 0.639 5.380 4.740 0.001 0.000 0.244 30 N C -1.372 174.200 175.510 0.103 0.000 1.485 30 N CA -0.714 52.410 53.050 0.124 0.000 0.884 30 N CB 2.249 40.801 38.487 0.108 0.000 1.415 30 N HN 0.552 nan 8.380 nan 0.000 0.524 31 T N -1.432 113.184 114.554 0.103 0.000 2.693 31 T HA 0.563 4.914 4.350 0.001 0.000 0.304 31 T C -2.138 172.622 174.700 0.100 0.000 1.471 31 T CA -0.547 61.608 62.100 0.092 0.000 0.993 31 T CB 1.027 69.941 68.868 0.077 0.000 1.554 31 T HN 0.463 nan 8.240 nan 0.000 0.496 32 V N 2.741 122.714 119.914 0.098 0.000 2.385 32 V HA 0.432 4.552 4.120 0.001 0.000 0.277 32 V C 0.089 176.209 176.094 0.044 0.000 1.012 32 V CA -0.775 61.592 62.300 0.111 0.000 0.832 32 V CB 1.201 33.141 31.823 0.195 0.000 1.028 32 V HN 0.775 nan 8.190 nan 0.000 0.436 33 V N 5.219 125.147 119.914 0.023 0.000 2.655 33 V HA 0.196 4.316 4.120 0.001 0.000 0.300 33 V C 0.268 176.283 176.094 -0.132 0.000 1.044 33 V CA 0.002 62.284 62.300 -0.030 0.000 1.095 33 V CB 1.546 33.367 31.823 -0.004 0.000 0.952 33 V HN 0.567 nan 8.190 nan 0.000 0.485 34 V N 5.516 125.314 119.914 -0.194 0.000 2.357 34 V HA 0.405 4.525 4.120 0.001 0.000 0.284 34 V C 0.020 176.009 176.094 -0.175 0.000 1.018 34 V CA -0.749 61.337 62.300 -0.357 0.000 0.841 34 V CB 1.413 32.957 31.823 -0.465 0.000 0.991 34 V HN 0.852 nan 8.190 nan 0.000 0.437 35 K N 4.170 124.484 120.400 -0.144 0.000 2.339 35 K HA 0.695 5.016 4.320 0.001 0.000 0.264 35 K C -1.393 175.196 176.600 -0.019 0.000 0.986 35 K CA -0.451 55.800 56.287 -0.061 0.000 0.866 35 K CB 1.755 34.191 32.500 -0.106 0.000 1.103 35 K HN 0.503 nan 8.250 nan 0.000 0.441 36 V N 3.689 123.627 119.914 0.039 0.000 2.384 36 V HA 0.360 4.480 4.120 0.001 0.000 0.287 36 V C -0.478 175.681 176.094 0.109 0.000 1.020 36 V CA -0.649 61.686 62.300 0.057 0.000 0.850 36 V CB 1.662 33.513 31.823 0.046 0.000 0.987 36 V HN 0.822 nan 8.190 nan 0.000 0.436 37 T N 3.574 118.184 114.554 0.094 0.000 2.824 37 T HA 0.482 4.832 4.350 0.001 0.000 0.282 37 T C -0.489 174.255 174.700 0.075 0.000 0.993 37 T CA -0.708 61.465 62.100 0.121 0.000 0.967 37 T CB 1.561 70.496 68.868 0.112 0.000 0.960 37 T HN 0.868 nan 8.240 nan 0.000 0.441 38 D N 1.015 121.453 120.400 0.064 0.000 2.451 38 D HA 0.165 4.805 4.640 0.001 0.000 0.259 38 D C 0.968 177.289 176.300 0.036 0.000 1.201 38 D CA -0.762 53.261 54.000 0.037 0.000 1.028 38 D CB 0.650 41.462 40.800 0.019 0.000 1.095 38 D HN 0.496 nan 8.370 nan 0.000 0.539 39 E N -0.996 119.219 120.200 0.024 0.000 2.333 39 E HA -0.116 4.234 4.350 0.001 0.000 0.198 39 E C 0.659 177.272 176.600 0.022 0.000 1.007 39 E CA 0.521 56.934 56.400 0.022 0.000 0.845 39 E CB -0.165 29.544 29.700 0.015 0.000 0.766 39 E HN 0.356 nan 8.360 nan 0.000 0.507 40 N N -0.402 118.310 118.700 0.020 0.000 2.336 40 N HA 0.011 4.751 4.740 0.001 0.000 0.189 40 N C 1.100 176.627 175.510 0.028 0.000 1.113 40 N CA 0.830 53.890 53.050 0.017 0.000 0.858 40 N CB 1.387 39.877 38.487 0.005 0.000 0.970 40 N HN 0.304 nan 8.380 nan 0.000 0.471 41 G N -0.014 108.815 108.800 0.049 0.000 2.217 41 G HA2 -0.281 3.679 3.960 0.001 0.000 0.246 41 G HA3 -0.281 3.679 3.960 0.001 0.000 0.246 41 G C 0.145 175.116 174.900 0.120 0.000 0.990 41 G CA 0.166 45.318 45.100 0.085 0.000 0.627 41 G HN 0.178 nan 8.290 nan 0.000 0.522 42 V N 1.761 121.698 119.914 0.039 0.000 2.715 42 V HA 0.548 4.668 4.120 0.001 0.000 0.299 42 V C 0.335 176.436 176.094 0.011 0.000 1.054 42 V CA 0.549 62.814 62.300 -0.059 0.000 1.077 42 V CB 0.332 32.104 31.823 -0.085 0.000 0.972 42 V HN 0.745 nan 8.190 nan 0.000 0.484 43 Y N 1.638 121.935 120.300 -0.004 0.000 2.581 43 Y HA 0.911 5.461 4.550 0.001 0.000 0.345 43 Y C 0.028 175.922 175.900 -0.009 0.000 1.036 43 Y CA -1.240 56.857 58.100 -0.005 0.000 1.042 43 Y CB 1.656 40.115 38.460 -0.002 0.000 1.289 43 Y HN 0.713 nan 8.280 nan 0.000 0.471 44 G N 1.589 110.511 108.800 0.203 0.000 2.453 44 G HA2 0.680 4.641 3.960 0.001 0.000 0.323 44 G HA3 0.680 4.641 3.960 0.001 0.000 0.323 44 G C -1.929 173.068 174.900 0.162 0.000 1.198 44 G CA -1.211 43.961 45.100 0.121 0.000 0.959 44 G HN 0.738 nan 8.290 nan 0.000 0.482 45 L N 0.606 121.898 121.223 0.115 0.000 2.362 45 L HA 0.837 5.177 4.340 0.001 0.000 0.271 45 L C 0.592 177.484 176.870 0.037 0.000 1.002 45 L CA -0.648 54.238 54.840 0.077 0.000 0.818 45 L CB 2.309 44.423 42.059 0.092 0.000 1.298 45 L HN 0.787 nan 8.230 nan 0.000 0.420 46 G N 1.406 110.210 108.800 0.005 0.000 2.788 46 G HA2 0.722 4.682 3.960 0.001 0.000 0.293 46 G HA3 0.722 4.682 3.960 0.001 0.000 0.293 46 G C -1.941 172.947 174.900 -0.020 0.000 1.392 46 G CA -0.375 44.730 45.100 0.007 0.000 0.810 46 G HN 0.635 nan 8.290 nan 0.000 0.508 47 E N -1.543 118.659 120.200 0.002 0.000 2.372 47 E HA 0.664 5.015 4.350 0.001 0.000 0.279 47 E C -1.001 175.628 176.600 0.049 0.000 0.946 47 E CA -1.143 55.260 56.400 0.006 0.000 0.769 47 E CB 2.007 31.718 29.700 0.018 0.000 1.230 47 E HN 0.939 nan 8.360 nan 0.000 0.442 48 A N 1.934 124.800 122.820 0.077 0.000 2.355 48 A HA 0.541 4.861 4.320 0.001 0.000 0.324 48 A C -0.897 176.756 177.584 0.114 0.000 1.117 48 A CA -0.671 51.454 52.037 0.147 0.000 0.785 48 A CB 1.617 20.780 19.000 0.272 0.000 1.254 48 A HN 0.717 nan 8.150 nan 0.000 0.453 49 D N -0.130 120.288 120.400 0.030 0.000 2.423 49 D HA 0.591 5.232 4.640 0.001 0.000 0.255 49 D C 0.597 176.937 176.300 0.066 0.000 1.174 49 D CA 1.310 55.248 54.000 -0.103 0.000 1.008 49 D CB 1.167 41.691 40.800 -0.460 0.000 1.101 49 D HN 1.517 nan 8.370 nan 0.000 0.516 50 G N -0.268 108.567 108.800 0.059 0.000 2.662 50 G HA2 -0.072 3.889 3.960 0.001 0.000 0.686 50 G HA3 -0.072 3.889 3.960 0.001 0.000 0.686 50 G C -0.580 174.411 174.900 0.153 0.000 1.271 50 G CA -0.272 44.965 45.100 0.229 0.000 0.816 50 G HN 0.504 nan 8.290 nan 0.000 0.608 51 S N 2.444 118.221 115.700 0.128 0.000 2.629 51 S HA 0.239 4.709 4.470 0.001 0.000 0.302 51 S C -0.615 174.049 174.600 0.107 0.000 1.244 51 S CA 0.350 58.605 58.200 0.093 0.000 1.098 51 S CB 1.031 64.273 63.200 0.069 0.000 0.858 51 S HN 0.523 nan 8.310 nan 0.000 0.502 52 P HA -0.218 nan 4.420 nan 0.000 0.216 52 P C 1.353 178.718 177.300 0.108 0.000 1.157 52 P CA 1.348 64.518 63.100 0.118 0.000 0.880 52 P CB 0.035 31.796 31.700 0.102 0.000 0.791 53 D N -0.743 119.705 120.400 0.080 0.000 2.183 53 D HA -0.091 4.550 4.640 0.001 0.000 0.203 53 D C 1.756 178.092 176.300 0.059 0.000 0.969 53 D CA 1.420 55.458 54.000 0.063 0.000 0.842 53 D CB -0.988 39.840 40.800 0.046 0.000 0.957 53 D HN 0.138 nan 8.370 nan 0.000 0.484 54 A N 1.153 124.012 122.820 0.065 0.000 1.897 54 A HA -0.022 4.298 4.320 0.001 0.000 0.215 54 A C 2.383 180.013 177.584 0.078 0.000 1.181 54 A CA 0.733 52.805 52.037 0.059 0.000 0.620 54 A CB -0.452 18.576 19.000 0.048 0.000 0.821 54 A HN 0.157 nan 8.150 nan 0.000 0.443 55 I N -0.434 120.198 120.570 0.103 0.000 2.226 55 I HA -0.188 3.982 4.170 0.001 0.000 0.245 55 I C 2.439 178.594 176.117 0.062 0.000 1.100 55 I CA 1.184 62.562 61.300 0.130 0.000 1.374 55 I CB -1.156 36.982 38.000 0.231 0.000 1.057 55 I HN 0.355 nan 8.210 nan 0.000 0.413 56 L N 1.430 122.697 121.223 0.074 0.000 2.046 56 L HA -0.120 4.220 4.340 0.001 0.000 0.208 56 L C 2.601 179.443 176.870 -0.046 0.000 1.077 56 L CA 2.162 57.015 54.840 0.022 0.000 0.747 56 L CB -0.826 41.274 42.059 0.068 0.000 0.896 56 L HN 0.178 nan 8.230 nan 0.000 0.432 57 A N -1.316 121.502 122.820 -0.004 0.000 1.858 57 A HA -0.302 4.019 4.320 0.001 0.000 0.216 57 A C 2.327 179.881 177.584 -0.050 0.000 1.190 57 A CA 1.863 53.889 52.037 -0.019 0.000 0.617 57 A CB -1.339 17.668 19.000 0.013 0.000 0.827 57 A HN 0.620 nan 8.150 nan 0.000 0.443 58 Y N 0.779 121.003 120.300 -0.126 0.000 2.114 58 Y HA -0.174 4.376 4.550 0.001 0.000 0.282 58 Y C 2.538 178.297 175.900 -0.236 0.000 1.165 58 Y CA 1.494 59.502 58.100 -0.152 0.000 1.148 58 Y CB -0.506 37.870 38.460 -0.140 0.000 0.972 58 Y HN 0.295 nan 8.280 nan 0.000 0.504 59 A N -0.214 122.395 122.820 -0.351 0.000 2.178 59 A HA -0.131 4.189 4.320 0.001 0.000 0.218 59 A C 1.425 178.762 177.584 -0.412 0.000 1.157 59 A CA 1.515 53.171 52.037 -0.635 0.000 0.689 59 A CB -0.468 17.731 19.000 -1.335 0.000 0.787 59 A HN 0.622 nan 8.150 nan 0.000 0.465 60 N N -0.001 118.527 118.700 -0.286 0.000 2.282 60 N HA 0.196 4.937 4.740 0.001 0.000 0.240 60 N C -0.233 175.171 175.510 -0.177 0.000 1.182 60 N CA -0.174 52.764 53.050 -0.187 0.000 0.874 60 N CB 0.432 38.851 38.487 -0.113 0.000 1.126 60 N HN 0.599 nan 8.380 nan 0.000 0.516 61 I N -1.443 118.979 120.570 -0.248 0.000 2.823 61 I HA 0.241 4.412 4.170 0.001 0.000 0.290 61 I C 0.633 176.642 176.117 -0.180 0.000 1.091 61 I CA -0.472 60.703 61.300 -0.209 0.000 1.365 61 I CB 0.700 38.540 38.000 -0.267 0.000 1.427 61 I HN -0.169 nan 8.210 nan 0.000 0.583 62 E N 2.166 122.282 120.200 -0.139 0.000 2.283 62 E HA 0.217 4.568 4.350 0.001 0.000 0.278 62 E C -0.618 175.896 176.600 -0.142 0.000 1.027 62 E CA -0.508 55.820 56.400 -0.121 0.000 0.843 62 E CB 0.976 30.620 29.700 -0.092 0.000 1.062 62 E HN 0.718 nan 8.360 nan 0.000 0.401 63 T N 3.305 117.777 114.554 -0.136 0.000 2.916 63 T HA 0.027 4.378 4.350 0.001 0.000 0.303 63 T C 0.815 175.422 174.700 -0.156 0.000 1.025 63 T CA 0.276 62.283 62.100 -0.155 0.000 1.142 63 T CB 0.658 69.449 68.868 -0.127 0.000 0.947 63 T HN 0.510 nan 8.240 nan 0.000 0.544 64 E N 0.898 120.967 120.200 -0.218 0.000 2.406 64 E HA 0.119 4.469 4.350 0.001 0.000 0.204 64 E C -0.017 176.498 176.600 -0.142 0.000 0.820 64 E CA 0.056 56.341 56.400 -0.193 0.000 1.136 64 E CB 0.609 30.172 29.700 -0.228 0.000 1.129 64 E HN 0.892 nan 8.360 nan 0.000 0.530 65 H N -1.936 117.034 119.070 -0.166 0.000 2.902 65 H HA 0.305 4.862 4.556 0.001 0.000 0.297 65 H C 0.262 175.436 175.328 -0.256 0.000 1.406 65 H CA -0.796 55.120 56.048 -0.220 0.000 1.134 65 H CB 0.817 30.423 29.762 -0.260 0.000 1.833 65 H HN -0.196 nan 8.280 nan 0.000 0.527 66 K N -0.408 119.900 120.400 -0.154 0.000 2.107 66 K HA -0.164 4.156 4.320 0.001 0.000 0.211 66 K C 0.100 176.519 176.600 -0.301 0.000 1.049 66 K CA 2.407 58.447 56.287 -0.412 0.000 0.927 66 K CB -0.098 31.848 32.500 -0.924 0.000 0.714 66 K HN 0.661 nan 8.250 nan 0.000 0.452 67 W N -0.020 121.485 121.300 0.341 0.000 3.220 67 W HA 0.191 4.851 4.660 0.001 0.000 0.328 67 W C 0.074 176.653 176.519 0.100 0.000 1.205 67 W CA -0.528 56.971 57.345 0.257 0.000 1.773 67 W CB 0.027 29.740 29.460 0.421 0.000 1.086 67 W HN 0.029 nan 8.180 nan 0.000 0.622 68 L N 1.821 122.926 121.223 -0.197 0.000 2.495 68 L HA 0.442 4.783 4.340 0.001 0.000 0.248 68 L C -0.382 176.308 176.870 -0.299 0.000 1.229 68 L CA 0.227 54.857 54.840 -0.349 0.000 0.942 68 L CB 0.320 41.861 42.059 -0.863 0.000 1.242 68 L HN -0.306 nan 8.230 nan 0.000 0.484 69 T N 1.148 115.609 114.554 -0.155 0.000 2.932 69 T HA 0.358 4.708 4.350 0.001 0.000 0.289 69 T C -0.250 174.350 174.700 -0.167 0.000 1.039 69 T CA -0.707 61.304 62.100 -0.149 0.000 1.024 69 T CB 1.691 70.501 68.868 -0.096 0.000 1.090 69 T HN 0.422 nan 8.240 nan 0.000 0.496 70 N N 1.269 119.866 118.700 -0.173 0.000 2.483 70 N HA -0.005 4.736 4.740 0.001 0.000 0.264 70 N C 1.053 176.472 175.510 -0.152 0.000 1.197 70 N CA -0.178 52.744 53.050 -0.214 0.000 0.927 70 N CB 0.664 39.048 38.487 -0.172 0.000 1.065 70 N HN 0.586 nan 8.380 nan 0.000 0.461 71 I N 4.161 124.624 120.570 -0.179 0.000 2.248 71 I HA -0.280 3.890 4.170 0.001 0.000 0.248 71 I C 2.329 178.454 176.117 0.014 0.000 1.107 71 I CA 1.986 63.260 61.300 -0.044 0.000 1.373 71 I CB -0.479 37.549 38.000 0.048 0.000 1.055 71 I HN 0.816 nan 8.210 nan 0.000 0.418 72 T N -2.818 111.744 114.554 0.013 0.000 2.985 72 T HA -0.137 4.213 4.350 0.001 0.000 0.266 72 T C 1.840 176.557 174.700 0.029 0.000 1.076 72 T CA 1.074 63.213 62.100 0.064 0.000 1.135 72 T CB -0.561 68.362 68.868 0.093 0.000 0.890 72 T HN 0.570 nan 8.240 nan 0.000 0.480 73 E N 1.073 121.269 120.200 -0.007 0.000 2.097 73 E HA -0.205 4.145 4.350 0.001 0.000 0.196 73 E C 1.683 178.285 176.600 0.003 0.000 1.000 73 E CA 1.035 57.428 56.400 -0.012 0.000 0.804 73 E CB 0.007 29.684 29.700 -0.037 0.000 0.740 73 E HN 0.264 nan 8.360 nan 0.000 0.454 74 K N -0.534 119.872 120.400 0.010 0.000 2.486 74 K HA 0.012 4.333 4.320 0.001 0.000 0.194 74 K C 1.305 177.928 176.600 0.037 0.000 1.033 74 K CA 0.736 57.037 56.287 0.024 0.000 1.004 74 K CB 0.489 33.008 32.500 0.031 0.000 0.798 74 K HN 0.189 nan 8.250 nan 0.000 0.495 75 A N 0.676 123.521 122.820 0.041 0.000 1.993 75 A HA 0.136 4.456 4.320 0.001 0.000 0.207 75 A C 0.822 178.430 177.584 0.039 0.000 1.224 75 A CA -0.181 51.884 52.037 0.047 0.000 0.749 75 A CB 0.174 19.211 19.000 0.061 0.000 0.884 75 A HN 0.053 nan 8.150 nan 0.000 0.467 76 I N 0.802 121.393 120.570 0.036 0.000 2.752 76 I HA 0.208 4.379 4.170 0.001 0.000 0.289 76 I C 1.650 177.780 176.117 0.022 0.000 1.197 76 I CA 1.861 63.178 61.300 0.030 0.000 1.432 76 I CB -0.847 37.167 38.000 0.024 0.000 1.359 76 I HN 0.630 nan 8.210 nan 0.000 0.571 77 G N 5.782 114.594 108.800 0.021 0.000 2.225 77 G HA2 -0.216 3.744 3.960 0.001 0.000 0.254 77 G HA3 -0.216 3.744 3.960 0.001 0.000 0.254 77 G C 0.558 175.468 174.900 0.017 0.000 0.988 77 G CA -0.358 44.752 45.100 0.016 0.000 0.625 77 G HN 0.497 nan 8.290 nan 0.000 0.527 78 R N -0.037 120.475 120.500 0.021 0.000 2.532 78 R HA 0.612 4.953 4.340 0.001 0.000 0.272 78 R C 0.667 176.976 176.300 0.014 0.000 1.032 78 R CA -0.851 55.261 56.100 0.020 0.000 1.089 78 R CB 0.422 30.739 30.300 0.029 0.000 1.098 78 R HN 0.285 nan 8.270 nan 0.000 0.526 79 L N 3.707 124.935 121.223 0.010 0.000 2.313 79 L HA 0.182 4.523 4.340 0.001 0.000 0.282 79 L C -1.260 175.605 176.870 -0.008 0.000 1.092 79 L CA -1.603 53.237 54.840 0.000 0.000 0.831 79 L CB 0.765 42.823 42.059 -0.002 0.000 1.159 79 L HN 0.223 nan 8.230 nan 0.000 0.442 80 P HA -0.218 nan 4.420 nan 0.000 0.219 80 P C 1.480 178.738 177.300 -0.069 0.000 1.144 80 P CA 0.950 64.027 63.100 -0.038 0.000 0.806 80 P CB 0.221 31.899 31.700 -0.036 0.000 0.771 81 I N 0.024 120.563 120.570 -0.053 0.000 2.546 81 I HA -0.121 4.049 4.170 0.001 0.000 0.255 81 I C 0.805 176.889 176.117 -0.055 0.000 1.163 81 I CA 1.141 62.405 61.300 -0.061 0.000 1.457 81 I CB -0.581 37.397 38.000 -0.038 0.000 1.092 81 I HN -0.120 nan 8.210 nan 0.000 0.434 82 E N 0.932 121.114 120.200 -0.029 0.000 2.392 82 E HA 0.086 4.436 4.350 0.001 0.000 0.307 82 E C 1.604 178.205 176.600 0.000 0.000 1.505 82 E CA -0.081 56.316 56.400 -0.005 0.000 1.716 82 E CB -0.148 29.562 29.700 0.016 0.000 1.450 82 E HN 0.545 nan 8.360 nan 0.000 0.484 83 I N 1.002 121.541 120.570 -0.052 0.000 2.208 83 I HA -0.328 3.842 4.170 0.001 0.000 0.245 83 I C 2.484 178.649 176.117 0.079 0.000 1.097 83 I CA 0.992 62.256 61.300 -0.059 0.000 1.363 83 I CB -0.328 37.487 38.000 -0.307 0.000 1.051 83 I HN 0.420 nan 8.210 nan 0.000 0.413 84 N N 1.349 120.087 118.700 0.064 0.000 2.084 84 N HA -0.175 4.565 4.740 0.001 0.000 0.190 84 N C 1.971 177.578 175.510 0.161 0.000 1.030 84 N CA 1.644 54.751 53.050 0.094 0.000 0.849 84 N CB 0.090 38.600 38.487 0.037 0.000 1.012 84 N HN 0.337 nan 8.380 nan 0.000 0.423 85 A N 1.477 124.369 122.820 0.121 0.000 1.902 85 A HA -0.060 4.260 4.320 0.001 0.000 0.217 85 A C 2.298 179.983 177.584 0.169 0.000 1.181 85 A CA 0.878 52.994 52.037 0.132 0.000 0.623 85 A CB -0.618 18.433 19.000 0.086 0.000 0.818 85 A HN 0.355 nan 8.150 nan 0.000 0.443 86 I N -2.710 117.952 120.570 0.153 0.000 2.286 86 I HA -0.273 3.898 4.170 0.001 0.000 0.248 86 I C 2.402 178.650 176.117 0.218 0.000 1.115 86 I CA 1.451 62.840 61.300 0.148 0.000 1.392 86 I CB -0.313 37.749 38.000 0.104 0.000 1.065 86 I HN 0.676 nan 8.210 nan 0.000 0.418 87 W N 2.430 123.785 121.300 0.093 0.000 2.333 87 W HA -0.252 4.408 4.660 0.001 0.000 0.316 87 W C 2.259 178.879 176.519 0.168 0.000 1.215 87 W CA 1.789 59.213 57.345 0.132 0.000 1.278 87 W CB -0.086 29.442 29.460 0.113 0.000 1.154 87 W HN 0.097 nan 8.180 nan 0.000 0.486 88 D N 0.377 121.138 120.400 0.602 0.000 2.123 88 D HA -0.118 4.522 4.640 0.001 0.000 0.196 88 D C 1.379 177.874 176.300 0.325 0.000 0.992 88 D CA 1.557 55.851 54.000 0.490 0.000 0.833 88 D CB -1.091 39.909 40.800 0.332 0.000 0.954 88 D HN 0.121 nan 8.370 nan 0.000 0.455 92 D N 1.145 121.724 120.400 0.298 0.000 2.144 92 D HA -0.097 4.544 4.640 0.001 0.000 0.199 92 D C 1.946 178.380 176.300 0.223 0.000 0.984 92 D CA 1.776 55.952 54.000 0.292 0.000 0.834 92 D CB -0.002 40.978 40.800 0.299 0.000 0.955 92 D HN 0.442 nan 8.370 nan 0.000 0.465 93 A N -0.809 122.089 122.820 0.130 0.000 2.206 93 A HA 0.072 4.392 4.320 0.001 0.000 0.211 93 A C 1.717 179.346 177.584 0.076 0.000 1.158 93 A CA 1.467 53.554 52.037 0.084 0.000 0.761 93 A CB -0.357 18.660 19.000 0.028 0.000 0.801 93 A HN 0.373 nan 8.150 nan 0.000 0.473 94 T N -4.140 110.440 114.554 0.044 0.000 3.200 94 T HA 0.215 4.565 4.350 0.001 0.000 0.284 94 T C 1.063 175.773 174.700 0.016 0.000 1.009 94 T CA -0.031 62.090 62.100 0.035 0.000 0.907 94 T CB 0.039 68.913 68.868 0.010 0.000 1.120 94 T HN 0.438 nan 8.240 nan 0.000 0.534 95 Q N 0.028 119.858 119.800 0.051 0.000 2.181 95 Q HA -0.091 4.249 4.340 0.001 0.000 0.205 95 Q C 1.609 177.648 176.000 0.064 0.000 0.980 95 Q CA 1.379 57.162 55.803 -0.033 0.000 0.862 95 Q CB -0.163 28.582 28.738 0.012 0.000 0.905 95 Q HN 0.704 nan 8.270 nan 0.000 0.429 96 W N 1.721 123.072 121.300 0.085 0.000 2.350 96 W HA -0.218 4.442 4.660 0.001 0.000 0.289 96 W C 1.203 177.740 176.519 0.030 0.000 1.215 96 W CA 2.036 59.438 57.345 0.095 0.000 1.236 96 W CB 0.305 29.899 29.460 0.223 0.000 1.130 96 W HN 0.360 nan 8.180 nan 0.000 0.541 97 Q N -1.512 118.355 119.800 0.112 0.000 2.036 97 Q HA 0.301 4.641 4.340 0.001 0.000 0.208 97 Q C 0.302 176.292 176.000 -0.016 0.000 0.770 97 Q CA 0.156 55.977 55.803 0.030 0.000 0.992 97 Q CB 0.244 29.084 28.738 0.169 0.000 1.209 97 Q HN -0.018 nan 8.270 nan 0.000 0.445 101 G N 0.435 109.137 108.800 -0.164 0.000 2.562 101 G HA2 -0.319 3.642 3.960 0.001 0.000 0.250 101 G HA3 -0.319 3.642 3.960 0.001 0.000 0.250 101 G C 0.604 174.943 174.900 -0.935 0.000 1.269 101 G CA 0.310 45.179 45.100 -0.386 0.000 0.919 101 G HN 0.578 nan 8.290 nan 0.000 0.574 102 L N 1.633 122.249 121.223 -1.011 0.000 2.021 102 L HA 0.174 4.514 4.340 0.001 0.000 0.215 102 L C 2.434 178.725 176.870 -0.965 0.000 1.074 102 L CA 3.368 57.471 54.840 -1.227 0.000 0.760 102 L CB -1.019 40.683 42.059 -0.594 0.000 0.889 102 L HN 1.582 nan 8.230 nan 0.000 0.433 106 A N 0.948 123.948 122.820 0.299 0.000 1.930 106 A HA -0.038 4.282 4.320 0.001 0.000 0.217 106 A C 2.129 179.944 177.584 0.385 0.000 1.175 106 A CA 1.794 54.090 52.037 0.432 0.000 0.627 106 A CB -0.729 18.489 19.000 0.363 0.000 0.815 106 A HN 0.383 nan 8.150 nan 0.000 0.443 107 L N -0.472 120.890 121.223 0.231 0.000 2.093 107 L HA -0.126 4.214 4.340 0.001 0.000 0.208 107 L C 2.580 179.550 176.870 0.168 0.000 1.085 107 L CA 1.686 56.607 54.840 0.136 0.000 0.755 107 L CB -0.209 41.835 42.059 -0.026 0.000 0.904 107 L HN 0.350 nan 8.230 nan 0.000 0.435 108 S N 0.092 115.929 115.700 0.228 0.000 2.353 108 S HA -0.175 4.295 4.470 0.001 0.000 0.222 108 S C 1.895 176.624 174.600 0.215 0.000 1.035 108 S CA 1.285 59.640 58.200 0.258 0.000 1.025 108 S CB -1.030 62.328 63.200 0.263 0.000 0.902 108 S HN 0.710 nan 8.310 nan 0.000 0.440 109 G N 1.578 110.486 108.800 0.180 0.000 2.469 109 G HA2 -0.197 3.763 3.960 0.001 0.000 0.219 109 G HA3 -0.197 3.763 3.960 0.001 0.000 0.219 109 G C 1.338 176.262 174.900 0.041 0.000 1.150 109 G CA 0.926 46.073 45.100 0.080 0.000 0.763 109 G HN 0.499 nan 8.290 nan 0.000 0.561 110 I N 0.555 121.172 120.570 0.079 0.000 2.286 110 I HA -0.007 4.163 4.170 0.001 0.000 0.245 110 I C 1.621 177.814 176.117 0.127 0.000 1.104 110 I CA 0.361 61.705 61.300 0.074 0.000 1.397 110 I CB -0.322 37.753 38.000 0.125 0.000 1.072 110 I HN 0.176 nan 8.210 nan 0.000 0.417 114 L N -0.634 120.622 121.223 0.055 0.000 2.131 114 L HA -0.142 4.199 4.340 0.001 0.000 0.210 114 L C 2.362 179.161 176.870 -0.118 0.000 1.092 114 L CA 1.639 56.453 54.840 -0.044 0.000 0.759 114 L CB -0.470 41.533 42.059 -0.094 0.000 0.903 114 L HN 0.586 nan 8.230 nan 0.000 0.435 115 Y N -0.429 119.880 120.300 0.015 0.000 2.293 115 Y HA -0.250 4.300 4.550 0.001 0.000 0.291 115 Y C 2.389 178.247 175.900 -0.069 0.000 1.137 115 Y CA 1.576 59.663 58.100 -0.023 0.000 1.202 115 Y CB -0.227 38.221 38.460 -0.019 0.000 0.990 115 Y HN 0.214 nan 8.280 nan 0.000 0.537 116 D N -0.364 120.081 120.400 0.075 0.000 2.123 116 D HA -0.137 4.503 4.640 0.001 0.000 0.200 116 D C 2.038 178.320 176.300 -0.030 0.000 0.976 116 D CA 0.682 54.680 54.000 -0.003 0.000 0.831 116 D CB -0.176 40.629 40.800 0.009 0.000 0.974 116 D HN 0.186 nan 8.370 nan 0.000 0.469 117 L N 0.525 121.736 121.223 -0.019 0.000 2.027 117 L HA 0.121 4.461 4.340 0.001 0.000 0.206 117 L C 2.186 179.023 176.870 -0.055 0.000 1.074 117 L CA 2.025 56.842 54.840 -0.038 0.000 0.745 117 L CB -1.083 40.969 42.059 -0.011 0.000 0.898 117 L HN 0.054 nan 8.230 nan 0.000 0.433 118 A N -0.568 122.213 122.820 -0.064 0.000 1.933 118 A HA -0.090 4.231 4.320 0.001 0.000 0.218 118 A C 2.325 179.871 177.584 -0.063 0.000 1.175 118 A CA 1.589 53.582 52.037 -0.074 0.000 0.628 118 A CB -1.568 17.363 19.000 -0.116 0.000 0.814 118 A HN 0.535 nan 8.150 nan 0.000 0.444 119 G N -0.323 108.443 108.800 -0.058 0.000 2.421 119 G HA2 -0.231 3.730 3.960 0.001 0.000 0.216 119 G HA3 -0.231 3.730 3.960 0.001 0.000 0.216 119 G C 1.688 176.545 174.900 -0.072 0.000 1.171 119 G CA 1.091 46.151 45.100 -0.066 0.000 0.775 119 G HN 0.576 nan 8.290 nan 0.000 0.543 120 K N 0.097 120.451 120.400 -0.077 0.000 2.057 120 K HA -0.081 4.239 4.320 0.001 0.000 0.207 120 K C 2.766 179.322 176.600 -0.073 0.000 1.049 120 K CA 1.285 57.521 56.287 -0.086 0.000 0.931 120 K CB -0.205 32.224 32.500 -0.119 0.000 0.714 120 K HN 0.375 nan 8.250 nan 0.000 0.440 121 Q N 0.614 120.375 119.800 -0.065 0.000 2.061 121 Q HA -0.131 4.210 4.340 0.001 0.000 0.204 121 Q C 2.093 178.065 176.000 -0.047 0.000 0.984 121 Q CA 1.299 57.070 55.803 -0.052 0.000 0.846 121 Q CB -0.129 28.582 28.738 -0.044 0.000 0.902 121 Q HN 0.311 nan 8.270 nan 0.000 0.421 122 L N -0.677 120.517 121.223 -0.050 0.000 2.492 122 L HA 0.086 4.427 4.340 0.001 0.000 0.223 122 L C 0.979 177.819 176.870 -0.050 0.000 1.132 122 L CA 0.368 55.180 54.840 -0.047 0.000 0.850 122 L CB -0.149 41.881 42.059 -0.048 0.000 0.966 122 L HN 0.441 nan 8.230 nan 0.000 0.454 123 G N 1.205 109.972 108.800 -0.055 0.000 2.256 123 G HA2 -0.199 3.762 3.960 0.001 0.000 0.272 123 G HA3 -0.199 3.762 3.960 0.001 0.000 0.272 123 G C -0.066 174.795 174.900 -0.064 0.000 1.076 123 G CA 0.284 45.351 45.100 -0.055 0.000 0.882 123 G HN 0.317 nan 8.290 nan 0.000 0.497 124 V N -3.648 116.218 119.914 -0.079 0.000 3.049 124 V HA 0.953 5.073 4.120 0.001 0.000 0.309 124 V C -2.385 173.633 176.094 -0.127 0.000 1.148 124 V CA -2.438 59.796 62.300 -0.109 0.000 0.990 124 V CB 2.581 34.328 31.823 -0.126 0.000 1.039 124 V HN 0.141 nan 8.190 nan 0.000 0.430 125 P HA 0.209 nan 4.420 nan 0.000 0.272 125 P C 0.816 178.001 177.300 -0.192 0.000 1.223 125 P CA 0.551 63.585 63.100 -0.110 0.000 0.784 125 P CB 1.483 33.161 31.700 -0.036 0.000 0.923 126 A N 3.454 126.131 122.820 -0.238 0.000 1.948 126 A HA -0.253 4.068 4.320 0.001 0.000 0.220 126 A C 2.048 179.630 177.584 -0.002 0.000 1.177 126 A CA 2.142 54.053 52.037 -0.211 0.000 0.636 126 A CB -2.039 16.658 19.000 -0.505 0.000 0.815 126 A HN 0.746 nan 8.150 nan 0.000 0.449 127 Y N -0.378 120.073 120.300 0.251 0.000 2.403 127 Y HA -0.066 4.485 4.550 0.001 0.000 0.291 127 Y C 1.887 177.835 175.900 0.080 0.000 1.143 127 Y CA 1.389 59.597 58.100 0.180 0.000 1.257 127 Y CB -0.678 37.891 38.460 0.182 0.000 0.984 127 Y HN 0.409 nan 8.280 nan 0.000 0.550 128 Q N 0.352 119.850 119.800 -0.504 0.000 2.435 128 Q HA 0.089 4.429 4.340 0.001 0.000 0.207 128 Q C 1.694 177.640 176.000 -0.091 0.000 0.956 128 Q CA 0.715 56.318 55.803 -0.334 0.000 0.917 128 Q CB 0.073 28.556 28.738 -0.425 0.000 0.997 128 Q HN 0.589 nan 8.270 nan 0.000 0.497 129 L N -0.178 121.035 121.223 -0.018 0.000 2.567 129 L HA 0.053 4.394 4.340 0.001 0.000 0.225 129 L C 1.382 178.344 176.870 0.155 0.000 1.119 129 L CA 0.282 55.169 54.840 0.078 0.000 0.871 129 L CB 0.303 42.448 42.059 0.144 0.000 1.036 129 L HN 0.187 nan 8.230 nan 0.000 0.459 130 L N -0.862 120.437 121.223 0.126 0.000 2.769 130 L HA 0.325 4.665 4.340 0.001 0.000 0.240 130 L C 1.190 178.109 176.870 0.083 0.000 1.163 130 L CA 0.433 55.341 54.840 0.112 0.000 0.962 130 L CB 0.463 42.560 42.059 0.064 0.000 1.258 130 L HN 0.348 nan 8.230 nan 0.000 0.513 131 G N -1.163 107.684 108.800 0.078 0.000 2.260 131 G HA2 -0.016 3.945 3.960 0.001 0.000 0.179 131 G HA3 -0.016 3.945 3.960 0.001 0.000 0.179 131 G C 0.618 175.570 174.900 0.088 0.000 1.002 131 G CA -0.301 44.838 45.100 0.065 0.000 0.677 131 G HN 0.709 nan 8.290 nan 0.000 0.486 132 G N -1.722 107.169 108.800 0.151 0.000 2.725 132 G HA2 0.409 4.370 3.960 0.001 0.000 0.220 132 G HA3 0.409 4.370 3.960 0.001 0.000 0.220 132 G C -0.158 174.894 174.900 0.254 0.000 1.357 132 G CA 0.811 46.051 45.100 0.233 0.000 0.866 132 G HN 2.038 nan 8.290 nan 0.000 0.548 133 T N -1.157 113.525 114.554 0.213 0.000 2.843 133 T HA 0.649 4.999 4.350 0.001 0.000 0.302 133 T C 0.125 174.865 174.700 0.068 0.000 1.232 133 T CA 0.029 62.188 62.100 0.099 0.000 1.009 133 T CB 1.547 70.423 68.868 0.013 0.000 1.254 133 T HN 0.618 nan 8.240 nan 0.000 0.504 134 N N 1.133 119.862 118.700 0.048 0.000 2.159 134 N HA 0.225 4.966 4.740 0.001 0.000 0.217 134 N C -0.560 174.975 175.510 0.041 0.000 1.223 134 N CA -0.027 53.045 53.050 0.037 0.000 0.896 134 N CB 0.804 39.305 38.487 0.023 0.000 1.064 134 N HN 0.484 nan 8.380 nan 0.000 0.518 135 K N 1.066 121.505 120.400 0.066 0.000 2.118 135 K HA 0.116 4.437 4.320 0.001 0.000 0.267 135 K C 0.780 177.473 176.600 0.156 0.000 0.991 135 K CA -0.440 55.894 56.287 0.078 0.000 0.916 135 K CB 1.425 33.933 32.500 0.013 0.000 1.041 135 K HN 0.027 nan 8.250 nan 0.000 0.455 136 D N 2.044 122.519 120.400 0.125 0.000 2.355 136 D HA -0.006 4.635 4.640 0.001 0.000 0.206 136 D C -0.209 176.221 176.300 0.217 0.000 1.010 136 D CA 0.692 54.771 54.000 0.131 0.000 0.875 136 D CB 0.616 41.458 40.800 0.070 0.000 0.966 136 D HN 0.278 nan 8.370 nan 0.000 0.512 137 K N -0.113 120.380 120.400 0.155 0.000 2.556 137 K HA 0.442 4.763 4.320 0.001 0.000 0.274 137 K C -1.183 175.206 176.600 -0.352 0.000 0.966 137 K CA -0.961 55.334 56.287 0.013 0.000 0.865 137 K CB 3.278 35.746 32.500 -0.054 0.000 1.444 137 K HN -0.040 nan 8.250 nan 0.000 0.433 138 V N -1.243 118.306 119.914 -0.609 0.000 2.864 138 V HA 0.637 4.758 4.120 0.001 0.000 0.314 138 V C -1.284 174.503 176.094 -0.512 0.000 1.073 138 V CA -0.765 61.207 62.300 -0.548 0.000 0.956 138 V CB 1.644 33.014 31.823 -0.755 0.000 1.023 138 V HN 0.772 nan 8.190 nan 0.000 0.435 139 H N 3.409 122.541 119.070 0.104 0.000 2.658 139 H HA 0.693 5.249 4.556 0.001 0.000 0.337 139 H C -2.745 172.652 175.328 0.115 0.000 1.009 139 H CA -1.544 54.550 56.048 0.076 0.000 1.231 139 H CB 2.269 32.079 29.762 0.080 0.000 1.508 139 H HN 0.650 nan 8.280 nan 0.000 0.517 140 P HA 0.115 nan 4.420 nan 0.000 0.281 140 P C -1.140 175.941 177.300 -0.366 0.000 1.264 140 P CA -0.713 61.988 63.100 -0.664 0.000 0.824 140 P CB 1.480 32.571 31.700 -1.014 0.000 1.092 141 Y N -0.306 119.728 120.300 -0.444 0.000 2.387 141 Y HA 0.671 5.221 4.550 0.001 0.000 0.336 141 Y C -1.163 174.529 175.900 -0.346 0.000 1.067 141 Y CA -1.488 56.322 58.100 -0.483 0.000 1.114 141 Y CB 0.804 38.959 38.460 -0.509 0.000 1.208 141 Y HN 0.109 nan 8.280 nan 0.000 0.458 142 L N 4.352 125.481 121.223 -0.158 0.000 2.307 142 L HA 0.450 4.791 4.340 0.001 0.000 0.284 142 L C -0.269 176.586 176.870 -0.024 0.000 1.023 142 L CA -0.903 53.815 54.840 -0.204 0.000 0.810 142 L CB 2.011 43.854 42.059 -0.359 0.000 1.231 142 L HN 0.768 nan 8.230 nan 0.000 0.423 143 T N 4.766 119.304 114.554 -0.028 0.000 2.761 143 T HA 0.495 4.845 4.350 0.001 0.000 0.296 143 T C -0.016 174.747 174.700 0.105 0.000 0.934 143 T CA -0.199 61.978 62.100 0.129 0.000 1.091 143 T CB 0.376 69.354 68.868 0.183 0.000 0.896 143 T HN 0.267 nan 8.240 nan 0.000 0.515 144 L N 3.665 125.032 121.223 0.239 0.000 2.346 144 L HA 0.656 4.996 4.340 0.001 0.000 0.274 144 L C -1.069 176.095 176.870 0.492 0.000 1.007 144 L CA -1.163 53.860 54.840 0.305 0.000 0.818 144 L CB 1.482 43.727 42.059 0.309 0.000 1.284 144 L HN 0.614 nan 8.230 nan 0.000 0.424 145 Y N 4.220 124.587 120.300 0.113 0.000 2.287 145 Y HA 0.375 4.926 4.550 0.001 0.000 0.321 145 Y C -2.531 173.278 175.900 -0.153 0.000 1.173 145 Y CA -1.582 56.490 58.100 -0.046 0.000 1.124 145 Y CB 1.740 40.315 38.460 0.191 0.000 1.201 145 Y HN 0.365 nan 8.280 nan 0.000 0.421 146 P HA 0.352 nan 4.420 nan 0.000 0.274 146 P C -0.832 176.219 177.300 -0.416 0.000 1.246 146 P CA -0.422 62.384 63.100 -0.489 0.000 0.795 146 P CB 1.253 32.637 31.700 -0.527 0.000 1.006 147 A N 3.180 125.887 122.820 -0.189 0.000 2.906 147 A HA 0.412 4.732 4.320 0.001 0.000 0.289 147 A C 0.804 178.319 177.584 -0.114 0.000 1.675 147 A CA -0.494 51.487 52.037 -0.094 0.000 1.372 147 A CB -1.577 17.407 19.000 -0.026 0.000 1.091 147 A HN 0.529 nan 8.150 nan 0.000 0.579 148 I N -1.103 119.367 120.570 -0.167 0.000 2.910 148 I HA 0.722 4.892 4.170 0.001 0.000 0.310 148 I C -2.300 173.797 176.117 -0.032 0.000 1.043 148 I CA -2.758 58.478 61.300 -0.107 0.000 1.053 148 I CB 0.479 38.388 38.000 -0.152 0.000 1.242 148 I HN 0.178 nan 8.210 nan 0.000 0.452 152 A N 0.238 123.062 122.820 0.007 0.000 2.296 152 A HA 0.866 5.186 4.320 0.001 0.000 0.276 152 A C 1.264 178.976 177.584 0.213 0.000 1.356 152 A CA 0.676 52.766 52.037 0.088 0.000 0.825 152 A CB -0.138 18.923 19.000 0.101 0.000 1.308 152 A HN 1.870 nan 8.150 nan 0.000 0.515 153 S N -1.725 114.139 115.700 0.273 0.000 2.687 153 S HA 0.486 4.956 4.470 0.001 0.000 0.283 153 S C 0.960 175.797 174.600 0.395 0.000 1.170 153 S CA -0.473 57.957 58.200 0.383 0.000 1.008 153 S CB 0.633 63.956 63.200 0.204 0.000 1.026 153 S HN 0.518 nan 8.310 nan 0.000 0.541 154 L N 0.427 121.736 121.223 0.143 0.000 2.043 154 L HA -0.174 4.166 4.340 0.001 0.000 0.212 154 L C 2.605 179.505 176.870 0.050 0.000 1.075 154 L CA 1.891 56.596 54.840 -0.225 0.000 0.752 154 L CB -0.573 41.266 42.059 -0.367 0.000 0.891 154 L HN 0.814 nan 8.230 nan 0.000 0.432 155 D N -0.304 120.146 120.400 0.084 0.000 2.097 155 D HA -0.145 4.495 4.640 0.001 0.000 0.195 155 D C 2.211 178.576 176.300 0.108 0.000 0.989 155 D CA 1.381 55.438 54.000 0.094 0.000 0.827 155 D CB 0.262 41.107 40.800 0.074 0.000 0.966 155 D HN 0.104 nan 8.370 nan 0.000 0.456 156 V N 1.544 121.531 119.914 0.121 0.000 2.295 156 V HA -0.240 3.881 4.120 0.001 0.000 0.246 156 V C 2.644 178.817 176.094 0.132 0.000 1.049 156 V CA 1.803 64.167 62.300 0.107 0.000 1.024 156 V CB -0.779 31.104 31.823 0.100 0.000 0.648 156 V HN 0.205 nan 8.190 nan 0.000 0.447 157 A N 0.088 123.043 122.820 0.225 0.000 1.865 157 A HA -0.199 4.122 4.320 0.001 0.000 0.217 157 A C 2.181 179.990 177.584 0.375 0.000 1.191 157 A CA 2.118 54.353 52.037 0.330 0.000 0.623 157 A CB -0.607 18.727 19.000 0.557 0.000 0.826 157 A HN 0.493 nan 8.150 nan 0.000 0.444 158 I N -0.005 120.760 120.570 0.325 0.000 2.226 158 I HA -0.271 3.900 4.170 0.001 0.000 0.245 158 I C 3.088 179.286 176.117 0.134 0.000 1.100 158 I CA 1.784 63.206 61.300 0.205 0.000 1.374 158 I CB -0.388 37.659 38.000 0.077 0.000 1.057 158 I HN 0.454 nan 8.210 nan 0.000 0.413 159 K N 0.978 121.439 120.400 0.102 0.000 2.097 159 K HA -0.026 4.294 4.320 0.001 0.000 0.205 159 K C 2.163 178.790 176.600 0.045 0.000 1.050 159 K CA 1.394 57.717 56.287 0.060 0.000 0.938 159 K CB -1.742 30.786 32.500 0.047 0.000 0.718 159 K HN 0.535 nan 8.250 nan 0.000 0.442 160 G N -1.344 107.478 108.800 0.037 0.000 2.448 160 G HA2 -0.078 3.883 3.960 0.001 0.000 0.218 160 G HA3 -0.078 3.883 3.960 0.001 0.000 0.218 160 G C 1.633 176.483 174.900 -0.084 0.000 1.135 160 G CA 0.857 45.926 45.100 -0.051 0.000 0.784 160 G HN 0.535 nan 8.290 nan 0.000 0.543 161 Y N 0.935 121.235 120.300 0.000 0.000 2.347 161 Y HA 0.285 4.836 4.550 0.001 0.000 0.294 161 Y C 3.007 178.894 175.900 -0.022 0.000 1.117 161 Y CA 0.154 58.249 58.100 -0.009 0.000 1.184 161 Y CB -0.337 38.117 38.460 -0.010 0.000 1.047 161 Y HN 0.232 nan 8.280 nan 0.000 0.546 162 A N 1.325 124.229 122.820 0.139 0.000 1.909 162 A HA -0.279 4.041 4.320 0.001 0.000 0.221 162 A C 0.005 177.618 177.584 0.049 0.000 1.223 162 A CA 2.578 54.650 52.037 0.059 0.000 0.658 162 A CB -2.048 16.971 19.000 0.031 0.000 0.831 162 A HN 0.369 nan 8.150 nan 0.000 0.462 163 P HA -0.053 nan 4.420 nan 0.000 0.218 163 P C 1.646 178.979 177.300 0.054 0.000 1.152 163 P CA 0.908 64.028 63.100 0.032 0.000 0.826 163 P CB -0.204 31.503 31.700 0.011 0.000 0.790 164 L N -0.827 120.440 121.223 0.073 0.000 2.131 164 L HA -0.134 4.207 4.340 0.001 0.000 0.210 164 L C 2.802 179.764 176.870 0.154 0.000 1.092 164 L CA 1.197 56.112 54.840 0.124 0.000 0.759 164 L CB -0.839 41.300 42.059 0.135 0.000 0.903 164 L HN -0.094 nan 8.230 nan 0.000 0.435 165 L N -0.995 120.298 121.223 0.117 0.000 2.109 165 L HA -0.134 4.206 4.340 0.001 0.000 0.207 165 L C 2.659 179.553 176.870 0.040 0.000 1.086 165 L CA 0.845 55.718 54.840 0.054 0.000 0.760 165 L CB -0.515 41.547 42.059 0.006 0.000 0.910 165 L HN 0.245 nan 8.230 nan 0.000 0.437 166 E N 0.493 120.722 120.200 0.047 0.000 2.106 166 E HA -0.230 4.121 4.350 0.001 0.000 0.192 166 E C 2.051 178.703 176.600 0.086 0.000 0.984 166 E CA 0.976 57.401 56.400 0.041 0.000 0.806 166 E CB -0.064 29.653 29.700 0.029 0.000 0.750 166 E HN 0.392 nan 8.360 nan 0.000 0.458 167 K N 0.736 121.212 120.400 0.127 0.000 2.148 167 K HA -0.060 4.261 4.320 0.001 0.000 0.204 167 K C 2.056 178.875 176.600 0.366 0.000 1.050 167 K CA 1.022 57.438 56.287 0.215 0.000 0.942 167 K CB 0.004 32.575 32.500 0.117 0.000 0.724 167 K HN 0.042 nan 8.250 nan 0.000 0.446 168 A N 1.748 124.726 122.820 0.264 0.000 1.873 168 A HA -0.164 4.156 4.320 0.001 0.000 0.215 168 A C 1.845 179.453 177.584 0.040 0.000 1.186 168 A CA 1.588 53.665 52.037 0.066 0.000 0.616 168 A CB -0.323 18.613 19.000 -0.108 0.000 0.823 168 A HN 0.302 nan 8.150 nan 0.000 0.442 169 K N -0.112 120.307 120.400 0.031 0.000 2.057 169 K HA -0.049 4.272 4.320 0.001 0.000 0.207 169 K C 2.268 178.888 176.600 0.033 0.000 1.049 169 K CA 1.093 57.382 56.287 0.002 0.000 0.931 169 K CB -0.377 32.115 32.500 -0.013 0.000 0.714 169 K HN 0.419 nan 8.250 nan 0.000 0.440 170 A N 1.370 124.241 122.820 0.084 0.000 1.940 170 A HA -0.183 4.137 4.320 0.001 0.000 0.219 170 A C 1.363 178.946 177.584 -0.002 0.000 1.176 170 A CA 1.539 53.604 52.037 0.047 0.000 0.631 170 A CB -0.620 18.429 19.000 0.081 0.000 0.814 170 A HN 0.324 nan 8.150 nan 0.000 0.446 171 H N -0.510 118.577 119.070 0.028 0.000 2.526 171 H HA 0.165 4.721 4.556 0.001 0.000 0.274 171 H C 0.151 175.446 175.328 -0.055 0.000 0.999 171 H CA 0.337 56.393 56.048 0.013 0.000 1.157 171 H CB 0.052 29.882 29.762 0.114 0.000 1.407 171 H HN 0.459 nan 8.280 nan 0.000 0.568 172 N N 0.568 119.280 118.700 0.021 0.000 2.735 172 N HA -0.166 4.574 4.740 0.001 0.000 0.248 172 N C -0.787 174.675 175.510 -0.080 0.000 1.083 172 N CA 0.372 53.400 53.050 -0.037 0.000 0.703 172 N CB -1.176 37.287 38.487 -0.040 0.000 1.005 172 N HN 0.300 nan 8.380 nan 0.000 0.550 173 I N 1.206 121.700 120.570 -0.127 0.000 2.598 173 I HA -0.030 4.140 4.170 0.001 0.000 0.284 173 I C 2.007 177.997 176.117 -0.211 0.000 1.140 173 I CA 0.266 61.426 61.300 -0.232 0.000 1.420 173 I CB 0.736 38.508 38.000 -0.380 0.000 1.387 173 I HN -0.016 nan 8.210 nan 0.000 0.553 174 R N 4.432 124.810 120.500 -0.203 0.000 2.189 174 R HA 0.183 4.523 4.340 0.001 0.000 0.218 174 R C 0.344 176.405 176.300 -0.400 0.000 1.074 174 R CA 0.380 56.364 56.100 -0.194 0.000 0.991 174 R CB -0.205 30.084 30.300 -0.018 0.000 0.883 174 R HN 0.715 nan 8.270 nan 0.000 0.457 175 A N 0.034 122.528 122.820 -0.543 0.000 2.594 175 A HA 0.536 4.856 4.320 0.001 0.000 0.296 175 A C -0.947 176.377 177.584 -0.433 0.000 1.061 175 A CA -0.656 50.992 52.037 -0.649 0.000 0.689 175 A CB 1.584 19.792 19.000 -1.320 0.000 1.280 175 A HN -0.030 nan 8.150 nan 0.000 0.406 176 V N -1.178 118.517 119.914 -0.365 0.000 3.007 176 V HA 0.866 4.986 4.120 0.001 0.000 0.311 176 V C -0.674 175.269 176.094 -0.252 0.000 1.120 176 V CA -0.900 61.262 62.300 -0.229 0.000 0.980 176 V CB 1.779 33.486 31.823 -0.194 0.000 1.033 176 V HN 1.099 nan 8.190 nan 0.000 0.429 177 K N 2.324 122.667 120.400 -0.095 0.000 2.292 177 K HA 0.821 5.141 4.320 0.001 0.000 0.257 177 K C -0.801 175.811 176.600 0.020 0.000 0.940 177 K CA -0.609 55.605 56.287 -0.121 0.000 0.811 177 K CB 2.086 34.590 32.500 0.005 0.000 1.120 177 K HN 1.164 nan 8.250 nan 0.000 0.428 178 V N 0.160 120.033 119.914 -0.068 0.000 2.919 178 V HA 0.714 4.834 4.120 0.001 0.000 0.316 178 V C -0.599 175.545 176.094 0.083 0.000 1.077 178 V CA -0.834 61.445 62.300 -0.035 0.000 0.977 178 V CB 1.311 32.806 31.823 -0.546 0.000 1.039 178 V HN 0.896 nan 8.190 nan 0.000 0.441 179 C N 1.092 120.599 119.300 0.345 0.000 2.667 179 C HA 0.797 5.258 4.460 0.001 0.000 0.323 179 C C 0.036 175.263 174.990 0.394 0.000 1.214 179 C CA -0.698 58.490 59.018 0.283 0.000 1.721 179 C CB 1.482 29.369 27.740 0.246 0.000 2.275 179 C HN 0.805 nan 8.230 nan 0.000 0.491 180 V N 3.097 123.127 119.914 0.193 0.000 2.350 180 V HA 0.267 4.388 4.120 0.001 0.000 0.276 180 V C -2.191 173.893 176.094 -0.017 0.000 1.028 180 V CA -1.229 61.157 62.300 0.143 0.000 0.860 180 V CB 1.073 32.963 31.823 0.112 0.000 0.990 180 V HN 0.764 nan 8.190 nan 0.000 0.453 181 P HA 0.069 nan 4.420 nan 0.000 0.260 181 P C 1.100 178.251 177.300 -0.248 0.000 1.172 181 P CA 0.456 63.479 63.100 -0.128 0.000 0.760 181 P CB 0.525 32.076 31.700 -0.247 0.000 0.773 182 I N 3.366 123.850 120.570 -0.143 0.000 2.039 182 I HA -0.309 3.862 4.170 0.001 0.000 0.233 182 I C 1.891 177.899 176.117 -0.182 0.000 1.040 182 I CA 1.672 62.887 61.300 -0.141 0.000 1.308 182 I CB -0.527 37.420 38.000 -0.089 0.000 1.035 182 I HN 0.390 nan 8.210 nan 0.000 0.392 183 K N 1.447 121.757 120.400 -0.150 0.000 2.585 183 K HA 0.053 4.373 4.320 0.001 0.000 0.194 183 K C 0.567 177.028 176.600 -0.231 0.000 1.037 183 K CA 0.330 56.529 56.287 -0.146 0.000 0.964 183 K CB -0.742 31.703 32.500 -0.091 0.000 0.787 183 K HN 0.331 nan 8.250 nan 0.000 0.488 184 A N 2.822 125.402 122.820 -0.399 0.000 2.386 184 A HA 0.065 4.385 4.320 0.001 0.000 0.248 184 A C 0.552 177.825 177.584 -0.518 0.000 1.082 184 A CA -0.210 51.408 52.037 -0.697 0.000 0.789 184 A CB 0.263 18.373 19.000 -1.483 0.000 1.025 184 A HN 0.317 nan 8.150 nan 0.000 0.490 185 D N 0.680 120.833 120.400 -0.412 0.000 2.623 185 D HA 0.055 4.696 4.640 0.001 0.000 0.252 185 D C -0.747 175.582 176.300 0.048 0.000 1.294 185 D CA -0.432 53.487 54.000 -0.136 0.000 0.824 185 D CB -0.195 40.582 40.800 -0.038 0.000 1.070 185 D HN 0.449 nan 8.370 nan 0.000 0.487 186 W N 2.413 123.717 121.300 0.006 0.000 2.158 186 W HA 0.261 4.922 4.660 0.001 0.000 0.339 186 W C 1.270 177.831 176.519 0.070 0.000 1.294 186 W CA -1.213 56.152 57.345 0.034 0.000 1.231 186 W CB 0.016 29.492 29.460 0.027 0.000 1.143 186 W HN -0.063 nan 8.180 nan 0.000 0.571 187 S N -0.206 115.682 115.700 0.313 0.000 2.634 187 S HA 0.133 4.603 4.470 0.001 0.000 0.261 187 S C 1.371 176.143 174.600 0.286 0.000 1.271 187 S CA 0.180 58.521 58.200 0.236 0.000 0.985 187 S CB 0.979 64.275 63.200 0.160 0.000 0.968 187 S HN 0.511 nan 8.310 nan 0.000 0.568 188 T N -1.232 113.480 114.554 0.263 0.000 2.915 188 T HA -0.036 4.314 4.350 0.001 0.000 0.269 188 T C 1.503 176.326 174.700 0.206 0.000 1.071 188 T CA 0.679 62.942 62.100 0.272 0.000 1.132 188 T CB -0.371 68.588 68.868 0.153 0.000 0.878 188 T HN 0.495 nan 8.240 nan 0.000 0.479 189 K N 1.250 121.742 120.400 0.153 0.000 2.097 189 K HA 0.002 4.322 4.320 0.001 0.000 0.205 189 K C 2.293 178.980 176.600 0.144 0.000 1.050 189 K CA 1.286 57.644 56.287 0.118 0.000 0.938 189 K CB -0.179 32.364 32.500 0.073 0.000 0.718 189 K HN 0.639 nan 8.250 nan 0.000 0.442 190 E N 0.281 120.577 120.200 0.161 0.000 2.216 190 E HA -0.066 4.284 4.350 0.001 0.000 0.192 190 E C 1.984 178.714 176.600 0.215 0.000 0.988 190 E CA 0.367 56.849 56.400 0.136 0.000 0.834 190 E CB 0.147 29.887 29.700 0.066 0.000 0.772 190 E HN -0.051 nan 8.360 nan 0.000 0.479 191 V N 1.540 121.654 119.914 0.333 0.000 2.358 191 V HA -0.267 3.854 4.120 0.001 0.000 0.246 191 V C 2.367 178.681 176.094 0.366 0.000 1.047 191 V CA 1.863 64.432 62.300 0.448 0.000 1.035 191 V CB -0.658 31.496 31.823 0.552 0.000 0.658 191 V HN 0.305 nan 8.190 nan 0.000 0.452 192 A N -0.504 122.482 122.820 0.277 0.000 1.883 192 A HA -0.309 4.012 4.320 0.001 0.000 0.217 192 A C 2.182 179.863 177.584 0.161 0.000 1.186 192 A CA 2.349 54.504 52.037 0.196 0.000 0.624 192 A CB -0.888 18.201 19.000 0.148 0.000 0.822 192 A HN 0.678 nan 8.150 nan 0.000 0.444 193 Y N -0.981 119.352 120.300 0.055 0.000 2.097 193 Y HA -0.314 4.236 4.550 0.001 0.000 0.282 193 Y C 2.234 178.135 175.900 0.002 0.000 1.152 193 Y CA 2.141 60.244 58.100 0.005 0.000 1.136 193 Y CB -0.910 37.533 38.460 -0.028 0.000 0.975 193 Y HN 0.438 nan 8.280 nan 0.000 0.498 194 Y N 0.647 120.805 120.300 -0.236 0.000 2.081 194 Y HA -0.314 4.236 4.550 0.001 0.000 0.280 194 Y C 2.108 177.841 175.900 -0.278 0.000 1.163 194 Y CA 2.318 60.199 58.100 -0.365 0.000 1.135 194 Y CB -0.792 37.509 38.460 -0.265 0.000 0.970 194 Y HN 0.227 nan 8.280 nan 0.000 0.498 195 L N -0.268 120.838 121.223 -0.196 0.000 2.141 195 L HA -0.197 4.143 4.340 0.001 0.000 0.209 195 L C 2.619 179.317 176.870 -0.287 0.000 1.094 195 L CA 1.419 56.082 54.840 -0.296 0.000 0.763 195 L CB -0.528 41.495 42.059 -0.061 0.000 0.908 195 L HN 0.180 nan 8.230 nan 0.000 0.437 196 R N -0.300 120.069 120.500 -0.219 0.000 2.092 196 R HA -0.128 4.213 4.340 0.001 0.000 0.231 196 R C 2.239 178.371 176.300 -0.279 0.000 1.119 196 R CA 0.934 56.917 56.100 -0.195 0.000 0.970 196 R CB -0.155 30.076 30.300 -0.114 0.000 0.864 196 R HN 0.310 nan 8.270 nan 0.000 0.440 197 E N 0.924 120.872 120.200 -0.420 0.000 2.077 197 E HA -0.144 4.206 4.350 0.001 0.000 0.193 197 E C 2.150 178.542 176.600 -0.346 0.000 0.989 197 E CA 1.027 57.181 56.400 -0.411 0.000 0.800 197 E CB -0.140 29.221 29.700 -0.565 0.000 0.746 197 E HN 0.344 nan 8.360 nan 0.000 0.452 198 L N 0.426 121.384 121.223 -0.441 0.000 2.056 198 L HA -0.136 4.204 4.340 0.001 0.000 0.207 198 L C 2.651 179.321 176.870 -0.333 0.000 1.078 198 L CA 1.022 55.609 54.840 -0.421 0.000 0.749 198 L CB -0.429 41.255 42.059 -0.625 0.000 0.901 198 L HN 0.058 nan 8.230 nan 0.000 0.433 199 R N 1.034 121.335 120.500 -0.331 0.000 2.120 199 R HA -0.102 4.238 4.340 0.001 0.000 0.234 199 R C 2.086 178.211 176.300 -0.291 0.000 1.123 199 R CA 1.566 57.474 56.100 -0.319 0.000 0.975 199 R CB -1.074 29.042 30.300 -0.307 0.000 0.866 199 R HN 0.286 nan 8.270 nan 0.000 0.446 200 G N 0.362 109.022 108.800 -0.234 0.000 2.418 200 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 200 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 200 G C 1.531 176.342 174.900 -0.148 0.000 1.158 200 G CA 0.987 45.985 45.100 -0.170 0.000 0.771 200 G HN 0.361 nan 8.290 nan 0.000 0.545 201 I N -0.130 120.345 120.570 -0.159 0.000 2.233 201 I HA -0.060 4.110 4.170 0.001 0.000 0.243 201 I C 2.531 178.577 176.117 -0.119 0.000 1.093 201 I CA 0.501 61.729 61.300 -0.120 0.000 1.380 201 I CB -0.172 37.760 38.000 -0.113 0.000 1.067 201 I HN 0.158 nan 8.210 nan 0.000 0.413 202 L N 0.830 121.957 121.223 -0.159 0.000 2.093 202 L HA 0.124 4.464 4.340 0.001 0.000 0.208 202 L C 1.026 177.807 176.870 -0.148 0.000 1.085 202 L CA 1.600 56.348 54.840 -0.154 0.000 0.755 202 L CB -0.782 41.158 42.059 -0.198 0.000 0.904 202 L HN 0.392 nan 8.230 nan 0.000 0.435 203 G N -2.195 106.493 108.800 -0.186 0.000 2.712 203 G HA2 -0.236 3.725 3.960 0.001 0.000 0.683 203 G HA3 -0.236 3.725 3.960 0.001 0.000 0.683 203 G C 0.123 174.892 174.900 -0.219 0.000 1.320 203 G CA -0.013 44.996 45.100 -0.152 0.000 0.847 203 G HN 0.333 nan 8.290 nan 0.000 0.553 204 H N 0.034 119.069 119.070 -0.059 0.000 2.539 204 H HA 0.083 4.640 4.556 0.001 0.000 0.269 204 H C 1.456 176.755 175.328 -0.048 0.000 0.980 204 H CA 0.882 56.897 56.048 -0.054 0.000 1.152 204 H CB 0.520 30.256 29.762 -0.044 0.000 1.407 204 H HN 0.495 nan 8.280 nan 0.000 0.564 205 D N 0.549 120.971 120.400 0.036 0.000 2.347 205 D HA -0.016 4.624 4.640 0.001 0.000 0.215 205 D C 0.361 176.646 176.300 -0.025 0.000 0.976 205 D CA 0.621 54.626 54.000 0.008 0.000 0.884 205 D CB 0.419 41.214 40.800 -0.009 0.000 0.915 205 D HN 0.138 nan 8.370 nan 0.000 0.526 206 T N 1.433 115.950 114.554 -0.061 0.000 2.797 206 T HA 0.177 4.528 4.350 0.001 0.000 0.279 206 T C 0.104 174.731 174.700 -0.123 0.000 0.991 206 T CA -0.838 61.197 62.100 -0.109 0.000 0.979 206 T CB 2.456 71.236 68.868 -0.146 0.000 0.943 206 T HN -0.158 nan 8.240 nan 0.000 0.444 211 D N 2.537 122.907 120.400 -0.051 0.000 2.414 211 D HA 0.416 5.057 4.640 0.001 0.000 0.232 211 D C -0.087 176.166 176.300 -0.079 0.000 1.070 211 D CA -0.273 53.757 54.000 0.051 0.000 0.839 211 D CB 1.301 42.170 40.800 0.115 0.000 1.079 211 D HN 0.543 nan 8.370 nan 0.000 0.521 212 Y N 3.053 123.391 120.300 0.064 0.000 2.490 212 Y HA 0.191 4.741 4.550 0.001 0.000 0.281 212 Y C 1.375 177.223 175.900 -0.087 0.000 1.174 212 Y CA -0.165 57.963 58.100 0.047 0.000 1.295 212 Y CB -0.118 38.443 38.460 0.167 0.000 1.062 212 Y HN 0.394 nan 8.280 nan 0.000 0.522 213 L N -0.399 120.794 121.223 -0.050 0.000 3.742 213 L HA -0.375 3.965 4.340 0.001 0.000 0.431 213 L C -0.690 176.184 176.870 0.005 0.000 1.220 213 L CA 0.247 55.027 54.840 -0.100 0.000 0.863 213 L CB -2.551 39.486 42.059 -0.038 0.000 1.751 213 L HN 0.453 nan 8.230 nan 0.000 0.922 214 Y N -2.295 118.074 120.300 0.116 0.000 3.305 214 Y HA -0.299 4.251 4.550 0.001 0.000 0.212 214 Y C 1.755 177.650 175.900 -0.009 0.000 1.248 214 Y CA 1.330 59.489 58.100 0.099 0.000 1.359 214 Y CB -1.625 36.898 38.460 0.105 0.000 1.407 214 Y HN 0.663 nan 8.280 nan 0.000 0.572 215 R N -1.400 119.047 120.500 -0.088 0.000 2.310 215 R HA 0.251 4.591 4.340 0.001 0.000 0.202 215 R C -0.288 175.760 176.300 -0.420 0.000 0.933 215 R CA 0.407 56.312 56.100 -0.326 0.000 1.054 215 R CB 0.202 30.168 30.300 -0.557 0.000 0.985 215 R HN 0.179 nan 8.270 nan 0.000 0.489 216 F N 0.247 120.267 119.950 0.117 0.000 2.556 216 F HA 0.372 4.900 4.527 0.001 0.000 0.327 216 F C 1.173 177.032 175.800 0.099 0.000 1.059 216 F CA -0.993 57.055 58.000 0.081 0.000 0.953 216 F CB 2.205 41.225 39.000 0.033 0.000 1.227 216 F HN -0.049 nan 8.300 nan 0.000 0.478 217 T N -4.216 110.517 114.554 0.298 0.000 3.009 217 T HA 0.157 4.507 4.350 0.001 0.000 0.267 217 T C -0.479 174.324 174.700 0.172 0.000 0.942 217 T CA -0.069 62.153 62.100 0.203 0.000 0.883 217 T CB -0.017 68.940 68.868 0.148 0.000 1.192 217 T HN 0.368 nan 8.240 nan 0.000 0.524 218 D N 1.795 122.283 120.400 0.147 0.000 2.414 218 D HA 0.243 4.883 4.640 0.001 0.000 0.232 218 D C 1.185 177.496 176.300 0.018 0.000 1.070 218 D CA -1.161 52.878 54.000 0.065 0.000 0.839 218 D CB 0.571 41.372 40.800 0.001 0.000 1.079 218 D HN 0.379 nan 8.370 nan 0.000 0.521 219 W N 3.910 125.220 121.300 0.016 0.000 2.331 219 W HA -0.273 4.388 4.660 0.001 0.000 0.291 219 W C 0.721 177.212 176.519 -0.046 0.000 1.214 219 W CA 0.438 57.759 57.345 -0.039 0.000 1.228 219 W CB -1.042 28.407 29.460 -0.018 0.000 1.135 219 W HN 0.504 nan 8.180 nan 0.000 0.537 220 Y N 2.337 121.966 120.300 -1.118 0.000 2.145 220 Y HA -0.261 4.289 4.550 0.001 0.000 0.286 220 Y C 2.964 178.563 175.900 -0.502 0.000 1.145 220 Y CA 3.114 60.522 58.100 -1.154 0.000 1.148 220 Y CB -0.808 36.960 38.460 -1.153 0.000 0.981 220 Y HN 0.105 nan 8.280 nan 0.000 0.507 221 E N -0.688 119.354 120.200 -0.263 0.000 2.077 221 E HA -0.178 4.173 4.350 0.001 0.000 0.193 221 E C 2.048 178.399 176.600 -0.415 0.000 0.989 221 E CA 1.649 57.900 56.400 -0.248 0.000 0.800 221 E CB -0.167 29.453 29.700 -0.133 0.000 0.746 221 E HN 0.370 nan 8.360 nan 0.000 0.452 222 V N 1.195 120.825 119.914 -0.473 0.000 2.427 222 V HA -0.229 3.892 4.120 0.001 0.000 0.248 222 V C 2.458 178.337 176.094 -0.360 0.000 1.051 222 V CA 1.668 63.615 62.300 -0.589 0.000 1.048 222 V CB -0.710 30.828 31.823 -0.475 0.000 0.666 222 V HN 0.434 nan 8.190 nan 0.000 0.456 223 A N -0.171 122.497 122.820 -0.253 0.000 1.902 223 A HA -0.213 4.107 4.320 0.001 0.000 0.217 223 A C 2.410 179.846 177.584 -0.247 0.000 1.181 223 A CA 1.703 53.636 52.037 -0.173 0.000 0.623 223 A CB -0.495 18.467 19.000 -0.063 0.000 0.818 223 A HN 0.461 nan 8.150 nan 0.000 0.443 224 R N -1.210 119.069 120.500 -0.368 0.000 2.081 224 R HA -0.132 4.209 4.340 0.001 0.000 0.235 224 R C 2.146 178.340 176.300 -0.177 0.000 1.131 224 R CA 1.520 57.447 56.100 -0.288 0.000 0.960 224 R CB -0.512 29.606 30.300 -0.303 0.000 0.856 224 R HN 0.524 nan 8.270 nan 0.000 0.436 225 L N 1.128 122.231 121.223 -0.201 0.000 1.994 225 L HA -0.142 4.199 4.340 0.001 0.000 0.208 225 L C 1.952 178.773 176.870 -0.082 0.000 1.071 225 L CA 1.707 56.470 54.840 -0.128 0.000 0.745 225 L CB -0.588 41.355 42.059 -0.195 0.000 0.892 225 L HN 0.126 nan 8.230 nan 0.000 0.431 226 L N -0.111 121.039 121.223 -0.123 0.000 2.046 226 L HA -0.210 4.130 4.340 0.001 0.000 0.208 226 L C 2.190 179.037 176.870 -0.037 0.000 1.077 226 L CA 1.265 56.068 54.840 -0.062 0.000 0.747 226 L CB -0.864 41.147 42.059 -0.080 0.000 0.896 226 L HN 0.397 nan 8.230 nan 0.000 0.432 227 N N -0.285 118.380 118.700 -0.059 0.000 2.453 227 N HA -0.118 4.623 4.740 0.001 0.000 0.183 227 N C 1.990 177.483 175.510 -0.028 0.000 1.041 227 N CA 1.422 54.447 53.050 -0.042 0.000 0.900 227 N CB -0.059 38.394 38.487 -0.056 0.000 0.961 227 N HN 0.388 nan 8.380 nan 0.000 0.443 228 S N 0.188 115.872 115.700 -0.026 0.000 2.501 228 S HA 0.046 4.517 4.470 0.001 0.000 0.220 228 S C 1.392 175.999 174.600 0.013 0.000 0.997 228 S CA -0.121 58.075 58.200 -0.006 0.000 0.919 228 S CB -0.317 62.881 63.200 -0.004 0.000 0.778 228 S HN 0.421 nan 8.310 nan 0.000 0.523 229 I N -1.576 119.006 120.570 0.020 0.000 3.762 229 I HA 0.482 4.652 4.170 0.001 0.000 0.333 229 I C 1.329 177.463 176.117 0.027 0.000 1.566 229 I CA -0.358 60.962 61.300 0.033 0.000 1.129 229 I CB 0.045 38.079 38.000 0.057 0.000 1.218 229 I HN 0.074 nan 8.210 nan 0.000 0.456 230 E N 2.715 122.923 120.200 0.014 0.000 2.110 230 E HA -0.260 4.091 4.350 0.001 0.000 0.193 230 E C 1.577 178.184 176.600 0.012 0.000 0.988 230 E CA 1.907 58.311 56.400 0.007 0.000 0.804 230 E CB 0.107 29.804 29.700 -0.004 0.000 0.745 230 E HN 0.752 nan 8.360 nan 0.000 0.458 231 D N 0.503 120.913 120.400 0.016 0.000 2.309 231 D HA -0.205 4.435 4.640 0.001 0.000 0.212 231 D C 1.805 178.148 176.300 0.071 0.000 0.968 231 D CA 0.654 54.666 54.000 0.019 0.000 0.882 231 D CB -0.301 40.508 40.800 0.016 0.000 0.918 231 D HN 0.352 nan 8.370 nan 0.000 0.503 232 L N -0.050 121.221 121.223 0.081 0.000 2.552 232 L HA 0.018 4.359 4.340 0.001 0.000 0.227 232 L C 0.391 177.352 176.870 0.152 0.000 1.146 232 L CA 0.283 55.197 54.840 0.122 0.000 0.858 232 L CB -0.663 41.409 42.059 0.021 0.000 0.969 232 L HN -0.066 nan 8.230 nan 0.000 0.451 233 E N 0.858 121.112 120.200 0.091 0.000 2.269 233 E HA -0.224 4.126 4.350 0.001 0.000 0.223 233 E C -0.232 176.391 176.600 0.038 0.000 1.244 233 E CA 0.014 56.449 56.400 0.058 0.000 0.713 233 E CB -1.641 28.106 29.700 0.079 0.000 1.178 233 E HN 0.468 nan 8.360 nan 0.000 0.370 234 L N 0.219 121.451 121.223 0.014 0.000 2.461 234 L HA 0.015 4.355 4.340 0.001 0.000 0.272 234 L C 1.595 178.462 176.870 -0.005 0.000 1.197 234 L CA 0.076 54.911 54.840 -0.008 0.000 0.836 234 L CB 0.066 42.128 42.059 0.004 0.000 1.105 234 L HN 0.166 nan 8.230 nan 0.000 0.477 235 Y N 3.362 123.577 120.300 -0.141 0.000 2.133 235 Y HA -0.149 4.401 4.550 0.001 0.000 0.287 235 Y C 0.578 176.478 175.900 0.001 0.000 1.134 235 Y CA 1.261 59.289 58.100 -0.120 0.000 1.133 235 Y CB 0.308 38.616 38.460 -0.254 0.000 0.987 235 Y HN 0.503 nan 8.280 nan 0.000 0.502 236 F N -1.841 118.185 119.950 0.127 0.000 2.745 236 F HA 0.777 5.304 4.527 0.001 0.000 0.316 236 F C -1.462 174.403 175.800 0.109 0.000 1.155 236 F CA -2.370 55.670 58.000 0.068 0.000 0.937 236 F CB 0.727 39.811 39.000 0.140 0.000 1.361 236 F HN -0.205 nan 8.300 nan 0.000 0.472 237 A N 1.403 124.555 122.820 0.553 0.000 2.323 237 A HA 0.596 4.916 4.320 0.001 0.000 0.305 237 A C -0.873 176.921 177.584 0.350 0.000 1.275 237 A CA -0.417 51.931 52.037 0.518 0.000 0.804 237 A CB 0.574 19.748 19.000 0.290 0.000 1.152 237 A HN 0.922 nan 8.150 nan 0.000 0.487 238 E N 2.317 122.758 120.200 0.402 0.000 2.202 238 E HA 0.576 4.927 4.350 0.001 0.000 0.272 238 E C 0.312 176.996 176.600 0.139 0.000 0.951 238 E CA -0.203 56.269 56.400 0.119 0.000 0.813 238 E CB 1.388 31.101 29.700 0.023 0.000 1.151 238 E HN 1.930 nan 8.360 nan 0.000 0.398 239 A N 2.642 125.436 122.820 -0.044 0.000 2.640 239 A HA -0.237 4.083 4.320 0.001 0.000 0.300 239 A C 0.963 178.503 177.584 -0.072 0.000 1.499 239 A CA 1.496 53.289 52.037 -0.407 0.000 0.759 239 A CB -2.651 15.683 19.000 -1.110 0.000 1.048 239 A HN 0.887 nan 8.150 nan 0.000 0.450 240 T N -1.930 112.713 114.554 0.148 0.000 2.706 240 T HA 0.341 4.691 4.350 0.001 0.000 0.255 240 T C 1.119 175.983 174.700 0.275 0.000 1.048 240 T CA 1.118 63.325 62.100 0.178 0.000 1.153 240 T CB -0.153 68.710 68.868 -0.008 0.000 0.865 240 T HN 0.602 nan 8.240 nan 0.000 0.414 241 L N 1.425 122.750 121.223 0.169 0.000 2.400 241 L HA 0.405 4.745 4.340 0.001 0.000 0.264 241 L C 0.334 177.502 176.870 0.498 0.000 1.061 241 L CA -1.417 53.561 54.840 0.231 0.000 0.799 241 L CB 0.746 42.780 42.059 -0.041 0.000 1.240 241 L HN 0.204 nan 8.230 nan 0.000 0.461 242 Q N 0.402 120.441 119.800 0.399 0.000 2.349 242 Q HA -0.081 4.259 4.340 0.001 0.000 0.287 242 Q C 0.914 177.181 176.000 0.445 0.000 1.044 242 Q CA 0.366 56.384 55.803 0.357 0.000 0.918 242 Q CB 0.305 29.164 28.738 0.201 0.000 1.242 242 Q HN 0.500 nan 8.270 nan 0.000 0.405 243 H N 2.367 121.566 119.070 0.215 0.000 2.460 243 H HA -0.158 4.399 4.556 0.001 0.000 0.297 243 H C 0.182 175.658 175.328 0.246 0.000 1.103 243 H CA 1.559 57.800 56.048 0.323 0.000 1.292 243 H CB 0.668 30.472 29.762 0.069 0.000 1.376 243 H HN 0.548 nan 8.280 nan 0.000 0.531 244 D N 0.164 120.690 120.400 0.209 0.000 2.348 244 D HA -0.084 4.557 4.640 0.001 0.000 0.211 244 D C 0.457 176.733 176.300 -0.039 0.000 0.998 244 D CA 0.329 54.362 54.000 0.055 0.000 0.873 244 D CB -0.216 40.618 40.800 0.057 0.000 0.925 244 D HN 0.277 nan 8.370 nan 0.000 0.524 245 D N 0.880 121.321 120.400 0.069 0.000 2.801 245 D HA 0.014 4.654 4.640 0.001 0.000 0.232 245 D C 1.306 177.658 176.300 0.088 0.000 1.128 245 D CA -0.170 53.887 54.000 0.095 0.000 1.003 245 D CB -0.078 40.838 40.800 0.193 0.000 1.110 245 D HN -0.097 nan 8.370 nan 0.000 0.477 246 L N 0.866 121.957 121.223 -0.218 0.000 2.046 246 L HA -0.169 4.172 4.340 0.001 0.000 0.208 246 L C 2.602 179.406 176.870 -0.110 0.000 1.077 246 L CA 1.529 56.151 54.840 -0.362 0.000 0.747 246 L CB -0.866 40.830 42.059 -0.606 0.000 0.896 246 L HN 0.325 nan 8.230 nan 0.000 0.432 247 S N -1.273 114.372 115.700 -0.091 0.000 2.399 247 S HA -0.100 4.371 4.470 0.001 0.000 0.231 247 S C 2.154 176.707 174.600 -0.078 0.000 1.022 247 S CA 0.847 58.998 58.200 -0.082 0.000 0.983 247 S CB -1.220 61.934 63.200 -0.077 0.000 0.803 247 S HN 0.398 nan 8.310 nan 0.000 0.480 248 G N 1.087 109.887 108.800 0.000 0.000 2.408 248 G HA2 -0.152 3.809 3.960 0.001 0.000 0.217 248 G HA3 -0.152 3.809 3.960 0.001 0.000 0.217 248 G C 1.186 176.068 174.900 -0.030 0.000 1.150 248 G CA 0.851 45.950 45.100 -0.003 0.000 0.776 248 G HN 0.640 nan 8.290 nan 0.000 0.542 249 H N 0.666 119.737 119.070 0.003 0.000 2.389 249 H HA 0.182 4.739 4.556 0.001 0.000 0.299 249 H C 2.811 178.130 175.328 -0.015 0.000 1.081 249 H CA 1.218 57.300 56.048 0.056 0.000 1.345 249 H CB -0.096 29.760 29.762 0.157 0.000 1.393 249 H HN 0.386 nan 8.280 nan 0.000 0.520 250 A N 1.182 124.023 122.820 0.035 0.000 1.933 250 A HA -0.178 4.142 4.320 0.001 0.000 0.218 250 A C 2.122 179.607 177.584 -0.165 0.000 1.175 250 A CA 1.381 53.384 52.037 -0.057 0.000 0.628 250 A CB -0.147 18.798 19.000 -0.092 0.000 0.814 250 A HN 0.174 nan 8.150 nan 0.000 0.444 251 K N -0.091 120.116 120.400 -0.322 0.000 2.063 251 K HA -0.070 4.250 4.320 0.001 0.000 0.208 251 K C 1.901 178.277 176.600 -0.374 0.000 1.048 251 K CA 1.174 57.071 56.287 -0.650 0.000 0.928 251 K CB -0.682 30.952 32.500 -1.443 0.000 0.713 251 K HN 0.565 nan 8.250 nan 0.000 0.442 252 L N 0.619 121.760 121.223 -0.136 0.000 2.046 252 L HA -0.166 4.174 4.340 0.001 0.000 0.208 252 L C 2.459 179.348 176.870 0.032 0.000 1.077 252 L CA 0.810 55.660 54.840 0.017 0.000 0.747 252 L CB -0.540 41.535 42.059 0.027 0.000 0.896 252 L HN -0.098 nan 8.230 nan 0.000 0.432 253 V N -0.030 119.906 119.914 0.037 0.000 2.343 253 V HA -0.259 3.861 4.120 0.001 0.000 0.247 253 V C 2.230 178.341 176.094 0.028 0.000 1.051 253 V CA 1.802 64.151 62.300 0.083 0.000 1.036 253 V CB -0.464 31.380 31.823 0.035 0.000 0.654 253 V HN 0.473 nan 8.190 nan 0.000 0.451 254 E N 0.133 120.306 120.200 -0.044 0.000 2.274 254 E HA -0.077 4.274 4.350 0.001 0.000 0.194 254 E C 1.281 177.868 176.600 -0.023 0.000 0.996 254 E CA 0.788 57.156 56.400 -0.054 0.000 0.840 254 E CB -0.042 29.589 29.700 -0.114 0.000 0.772 254 E HN 0.603 nan 8.360 nan 0.000 0.491 255 N N 0.434 119.131 118.700 -0.004 0.000 2.177 255 N HA 0.025 4.765 4.740 0.001 0.000 0.218 255 N C -0.094 175.451 175.510 0.058 0.000 1.182 255 N CA 0.363 53.449 53.050 0.059 0.000 0.882 255 N CB 1.364 39.954 38.487 0.172 0.000 1.052 255 N HN 0.107 nan 8.380 nan 0.000 0.519 256 T N -2.549 112.032 114.554 0.045 0.000 2.838 256 T HA 0.463 4.814 4.350 0.001 0.000 0.292 256 T C 0.253 174.973 174.700 0.033 0.000 1.113 256 T CA -0.750 61.367 62.100 0.027 0.000 1.008 256 T CB 2.245 71.123 68.868 0.017 0.000 1.259 256 T HN -0.101 nan 8.240 nan 0.000 0.520 257 R N 0.252 120.757 120.500 0.009 0.000 2.546 257 R HA 0.375 4.716 4.340 0.001 0.000 0.320 257 R C 0.140 176.409 176.300 -0.051 0.000 1.021 257 R CA -0.380 55.720 56.100 -0.001 0.000 1.088 257 R CB 0.641 30.937 30.300 -0.007 0.000 1.278 257 R HN 0.480 nan 8.270 nan 0.000 0.557 258 S N 0.918 116.584 115.700 -0.058 0.000 2.632 258 S HA 0.316 4.786 4.470 0.001 0.000 0.271 258 S C 0.294 174.723 174.600 -0.285 0.000 1.260 258 S CA -0.585 57.552 58.200 -0.104 0.000 1.010 258 S CB 1.364 64.550 63.200 -0.023 0.000 0.965 258 S HN 0.174 nan 8.310 nan 0.000 0.534 259 R N 1.452 121.745 120.500 -0.346 0.000 2.389 259 R HA 0.292 4.633 4.340 0.001 0.000 0.295 259 R C -0.648 175.565 176.300 -0.145 0.000 1.075 259 R CA -0.168 55.563 56.100 -0.615 0.000 1.005 259 R CB 0.245 30.373 30.300 -0.287 0.000 0.987 259 R HN 0.401 nan 8.270 nan 0.000 0.452 260 I N 3.598 124.215 120.570 0.077 0.000 2.354 260 I HA 0.212 4.383 4.170 0.001 0.000 0.292 260 I C 0.401 176.616 176.117 0.164 0.000 0.989 260 I CA -0.711 60.712 61.300 0.205 0.000 1.188 260 I CB 1.169 39.349 38.000 0.299 0.000 1.342 260 I HN 0.628 nan 8.210 nan 0.000 0.457 261 C N 4.388 123.698 119.300 0.016 0.000 2.335 261 C HA 0.962 5.423 4.460 0.001 0.000 0.363 261 C C 0.860 175.756 174.990 -0.156 0.000 1.198 261 C CA -0.236 58.687 59.018 -0.158 0.000 2.279 261 C CB 1.202 28.667 27.740 -0.459 0.000 2.334 261 C HN 1.009 nan 8.230 nan 0.000 0.559 262 G N -1.065 107.473 108.800 -0.437 0.000 2.649 262 G HA2 0.657 4.617 3.960 0.001 0.000 0.290 262 G HA3 0.657 4.617 3.960 0.001 0.000 0.290 262 G C -0.074 173.994 174.900 -1.386 0.000 1.426 262 G CA 0.143 44.545 45.100 -1.163 0.000 0.794 262 G HN 1.975 nan 8.290 nan 0.000 0.483 263 A N -0.983 120.462 122.820 -2.291 0.000 2.979 263 A HA -0.175 4.145 4.320 0.001 0.000 0.260 263 A C 0.849 178.295 177.584 -0.230 0.000 1.282 263 A CA 2.198 53.548 52.037 -1.144 0.000 0.971 263 A CB -2.212 16.201 19.000 -0.978 0.000 1.124 263 A HN 1.563 nan 8.150 nan 0.000 0.826 267 T N -1.399 113.299 114.554 0.240 0.000 2.933 267 T HA 0.812 5.162 4.350 0.001 0.000 0.305 267 T C -0.050 174.795 174.700 0.241 0.000 1.092 267 T CA 0.309 62.555 62.100 0.242 0.000 1.008 267 T CB 0.655 69.678 68.868 0.259 0.000 1.102 267 T HN 2.838 nan 8.240 nan 0.000 0.469 268 T N 0.391 115.079 114.554 0.224 0.000 0.541 268 T HA -0.200 4.150 4.350 0.001 0.000 0.774 268 T C 0.886 175.576 174.700 -0.015 0.000 0.992 268 T CA 0.607 62.796 62.100 0.148 0.000 4.077 268 T CB -0.888 68.145 68.868 0.275 0.000 2.303 268 T HN 1.456 nan 8.240 nan 0.000 0.398 269 R N 0.779 121.104 120.500 -0.293 0.000 2.235 269 R HA 0.095 4.435 4.340 0.001 0.000 0.213 269 R C 1.716 177.877 176.300 -0.231 0.000 1.059 269 R CA 1.599 57.515 56.100 -0.307 0.000 0.997 269 R CB -0.451 29.579 30.300 -0.450 0.000 0.884 269 R HN 0.615 nan 8.270 nan 0.000 0.462 270 F N 2.113 122.112 119.950 0.083 0.000 2.146 270 F HA 0.033 4.560 4.527 0.001 0.000 0.298 270 F C 2.250 178.108 175.800 0.096 0.000 1.096 270 F CA 0.961 59.007 58.000 0.077 0.000 1.275 270 F CB -0.442 38.607 39.000 0.081 0.000 1.008 270 F HN 0.027 nan 8.300 nan 0.000 0.480 271 E N 0.158 120.535 120.200 0.296 0.000 2.107 271 E HA -0.093 4.257 4.350 0.001 0.000 0.191 271 E C 2.431 179.238 176.600 0.345 0.000 0.982 271 E CA 0.795 57.364 56.400 0.282 0.000 0.809 271 E CB -0.280 29.615 29.700 0.326 0.000 0.756 271 E HN 0.328 nan 8.360 nan 0.000 0.459 272 A N 1.606 124.579 122.820 0.254 0.000 1.902 272 A HA -0.273 4.047 4.320 0.001 0.000 0.217 272 A C 2.055 179.756 177.584 0.194 0.000 1.181 272 A CA 1.719 53.886 52.037 0.216 0.000 0.623 272 A CB -0.498 18.543 19.000 0.069 0.000 0.818 272 A HN 0.268 nan 8.150 nan 0.000 0.443 273 E N -0.345 119.934 120.200 0.131 0.000 2.118 273 E HA -0.267 4.084 4.350 0.001 0.000 0.195 273 E C 2.014 178.671 176.600 0.095 0.000 0.992 273 E CA 1.437 57.897 56.400 0.100 0.000 0.804 273 E CB -0.158 29.602 29.700 0.099 0.000 0.741 273 E HN 0.777 nan 8.360 nan 0.000 0.458 274 E N -0.572 119.682 120.200 0.091 0.000 2.106 274 E HA -0.184 4.166 4.350 0.001 0.000 0.192 274 E C 1.664 178.232 176.600 -0.054 0.000 0.984 274 E CA 1.115 57.507 56.400 -0.012 0.000 0.806 274 E CB -0.207 29.447 29.700 -0.078 0.000 0.750 274 E HN 0.391 nan 8.360 nan 0.000 0.458 275 W N 0.763 122.038 121.300 -0.041 0.000 2.363 275 W HA -0.082 4.578 4.660 0.001 0.000 0.296 275 W C 2.089 178.569 176.519 -0.064 0.000 1.212 275 W CA 0.728 58.024 57.345 -0.082 0.000 1.260 275 W CB -0.082 29.318 29.460 -0.100 0.000 1.131 275 W HN 0.128 nan 8.180 nan 0.000 0.530 276 I N -0.291 120.390 120.570 0.185 0.000 2.163 276 I HA -0.294 3.876 4.170 0.001 0.000 0.240 276 I C 2.671 178.810 176.117 0.038 0.000 1.081 276 I CA 1.983 63.339 61.300 0.092 0.000 1.353 276 I CB -1.114 36.926 38.000 0.066 0.000 1.054 276 I HN 0.005 nan 8.210 nan 0.000 0.407 277 T N -1.580 112.988 114.554 0.022 0.000 2.851 277 T HA -0.141 4.210 4.350 0.001 0.000 0.262 277 T C 1.897 176.578 174.700 -0.031 0.000 1.043 277 T CA 0.943 63.040 62.100 -0.006 0.000 1.140 277 T CB -0.101 68.765 68.868 -0.003 0.000 0.872 277 T HN 0.217 nan 8.240 nan 0.000 0.446 278 K N 0.730 121.098 120.400 -0.053 0.000 2.168 278 K HA 0.236 4.556 4.320 0.001 0.000 0.201 278 K C 2.564 179.107 176.600 -0.094 0.000 1.049 278 K CA 0.728 56.961 56.287 -0.089 0.000 0.974 278 K CB -0.483 31.938 32.500 -0.133 0.000 0.792 278 K HN 0.396 nan 8.250 nan 0.000 0.463 279 G N 0.801 109.545 108.800 -0.095 0.000 2.511 279 G HA2 -0.151 3.810 3.960 0.001 0.000 0.217 279 G HA3 -0.151 3.810 3.960 0.001 0.000 0.217 279 G C 0.098 175.029 174.900 0.053 0.000 1.133 279 G CA 0.391 45.475 45.100 -0.028 0.000 0.792 279 G HN 0.365 nan 8.290 nan 0.000 0.539 280 K N -0.975 119.437 120.400 0.020 0.000 3.130 280 K HA -0.181 4.139 4.320 0.001 0.000 0.282 280 K C 0.659 177.241 176.600 -0.029 0.000 1.145 280 K CA 0.462 56.737 56.287 -0.020 0.000 0.831 280 K CB -2.487 29.983 32.500 -0.050 0.000 1.226 280 K HN 0.529 nan 8.250 nan 0.000 0.478 281 V N -1.941 118.016 119.914 0.072 0.000 2.963 281 V HA 0.002 4.122 4.120 0.001 0.000 0.306 281 V C 1.461 177.562 176.094 0.012 0.000 1.077 281 V CA 0.128 62.488 62.300 0.101 0.000 1.124 281 V CB 0.978 32.906 31.823 0.176 0.000 0.987 281 V HN 0.203 nan 8.190 nan 0.000 0.487 282 H N 2.513 121.613 119.070 0.050 0.000 2.482 282 H HA 0.458 5.014 4.556 0.001 0.000 0.286 282 H C 0.430 175.781 175.328 0.039 0.000 1.017 282 H CA 1.285 57.357 56.048 0.039 0.000 1.322 282 H CB 0.217 30.001 29.762 0.035 0.000 1.426 282 H HN 0.622 nan 8.280 nan 0.000 0.546 283 L N 0.471 121.775 121.223 0.135 0.000 2.482 283 L HA 0.376 4.717 4.340 0.001 0.000 0.263 283 L C -1.680 175.158 176.870 -0.054 0.000 0.957 283 L CA -0.778 54.099 54.840 0.062 0.000 0.836 283 L CB 1.783 43.893 42.059 0.084 0.000 1.324 283 L HN -0.007 nan 8.230 nan 0.000 0.406 284 L N 4.128 125.320 121.223 -0.052 0.000 2.322 284 L HA 0.469 4.809 4.340 0.001 0.000 0.279 284 L C 0.145 176.937 176.870 -0.129 0.000 1.036 284 L CA -0.249 54.506 54.840 -0.143 0.000 0.807 284 L CB 1.687 43.690 42.059 -0.093 0.000 1.226 284 L HN 0.681 nan 8.230 nan 0.000 0.433 285 Q N 0.831 120.516 119.800 -0.192 0.000 2.165 285 Q HA 0.197 4.537 4.340 0.001 0.000 0.245 285 Q C -0.284 175.659 176.000 -0.096 0.000 0.841 285 Q CA -0.304 55.438 55.803 -0.100 0.000 1.078 285 Q CB 1.049 29.748 28.738 -0.065 0.000 1.169 285 Q HN 0.660 nan 8.270 nan 0.000 0.475 286 S N 2.088 117.701 115.700 -0.144 0.000 2.593 286 S HA -0.071 4.399 4.470 0.001 0.000 0.300 286 S C -0.029 174.465 174.600 -0.177 0.000 1.267 286 S CA 0.401 58.527 58.200 -0.124 0.000 1.065 286 S CB 0.358 63.493 63.200 -0.110 0.000 0.807 286 S HN 0.243 nan 8.310 nan 0.000 0.499 287 D N 0.797 121.135 120.400 -0.103 0.000 2.256 287 D HA 0.170 4.810 4.640 0.001 0.000 0.250 287 D C 0.727 176.968 176.300 -0.098 0.000 1.093 287 D CA -0.433 53.516 54.000 -0.086 0.000 0.882 287 D CB 0.516 41.346 40.800 0.051 0.000 1.185 287 D HN 0.508 nan 8.370 nan 0.000 0.437 288 Y N 2.588 122.888 120.300 0.000 0.000 2.069 288 Y HA -0.309 4.241 4.550 0.001 0.000 0.278 288 Y C 1.861 177.793 175.900 0.054 0.000 1.175 288 Y CA 1.980 60.083 58.100 0.004 0.000 1.134 288 Y CB -0.541 37.912 38.460 -0.011 0.000 0.965 288 Y HN 0.510 nan 8.280 nan 0.000 0.498 289 N N -0.542 118.286 118.700 0.213 0.000 2.322 289 N HA 0.135 4.875 4.740 0.001 0.000 0.216 289 N C 0.772 176.310 175.510 0.046 0.000 1.144 289 N CA 0.088 53.217 53.050 0.132 0.000 0.830 289 N CB 0.127 38.670 38.487 0.093 0.000 1.034 289 N HN 0.285 nan 8.380 nan 0.000 0.484 290 R N -0.843 119.690 120.500 0.056 0.000 2.756 290 R HA 0.150 4.490 4.340 0.001 0.000 0.170 290 R C 1.446 177.929 176.300 0.305 0.000 0.800 290 R CA 0.723 56.858 56.100 0.058 0.000 1.052 290 R CB -0.461 29.713 30.300 -0.210 0.000 1.437 290 R HN 0.407 nan 8.270 nan 0.000 0.607 291 C N -0.332 119.085 119.300 0.194 0.000 2.500 291 C HA 0.411 4.872 4.460 0.001 0.000 0.273 291 C C 1.405 176.570 174.990 0.291 0.000 1.428 291 C CA 0.496 59.642 59.018 0.214 0.000 1.766 291 C CB -0.302 27.503 27.740 0.107 0.000 1.817 291 C HN 0.688 nan 8.230 nan 0.000 0.543 292 G N -0.882 108.120 108.800 0.336 0.000 2.407 292 G HA2 0.464 4.425 3.960 0.001 0.000 0.210 292 G HA3 0.464 4.425 3.960 0.001 0.000 0.210 292 G C 0.669 175.897 174.900 0.547 0.000 1.015 292 G CA 0.327 45.748 45.100 0.535 0.000 0.807 292 G HN 2.088 nan 8.290 nan 0.000 0.539 293 G N -0.548 108.462 108.800 0.350 0.000 2.698 293 G HA2 -0.139 3.821 3.960 0.001 0.000 0.233 293 G HA3 -0.139 3.821 3.960 0.001 0.000 0.233 293 G C 1.043 176.091 174.900 0.246 0.000 1.352 293 G CA 0.034 45.328 45.100 0.322 0.000 0.879 293 G HN 1.052 nan 8.290 nan 0.000 0.567 294 L N -0.107 121.242 121.223 0.210 0.000 2.083 294 L HA -0.061 4.280 4.340 0.001 0.000 0.209 294 L C 3.313 180.219 176.870 0.060 0.000 1.083 294 L CA 2.217 57.083 54.840 0.044 0.000 0.752 294 L CB -0.840 40.977 42.059 -0.404 0.000 0.899 294 L HN 0.752 nan 8.230 nan 0.000 0.433 295 T N -1.046 113.634 114.554 0.211 0.000 2.746 295 T HA -0.222 4.128 4.350 0.001 0.000 0.267 295 T C 1.809 176.410 174.700 -0.164 0.000 1.039 295 T CA 1.590 63.739 62.100 0.082 0.000 1.142 295 T CB -0.077 68.825 68.868 0.056 0.000 0.866 295 T HN 0.226 nan 8.240 nan 0.000 0.444 296 E N 0.728 120.841 120.200 -0.146 0.000 2.152 296 E HA 0.076 4.426 4.350 0.001 0.000 0.192 296 E C 1.970 178.512 176.600 -0.097 0.000 0.983 296 E CA 0.578 56.849 56.400 -0.215 0.000 0.818 296 E CB -0.417 29.283 29.700 -0.001 0.000 0.758 296 E HN 0.418 nan 8.360 nan 0.000 0.467 297 L N 0.071 121.285 121.223 -0.015 0.000 2.201 297 L HA -0.077 4.264 4.340 0.001 0.000 0.212 297 L C 2.664 179.584 176.870 0.084 0.000 1.105 297 L CA 1.038 55.878 54.840 0.000 0.000 0.775 297 L CB -0.277 41.746 42.059 -0.060 0.000 0.913 297 L HN 0.134 nan 8.230 nan 0.000 0.440 298 R N 0.289 120.820 120.500 0.052 0.000 2.066 298 R HA -0.126 4.214 4.340 0.001 0.000 0.232 298 R C 2.436 178.726 176.300 -0.018 0.000 1.131 298 R CA 1.203 57.325 56.100 0.038 0.000 0.955 298 R CB -0.017 30.291 30.300 0.013 0.000 0.851 298 R HN 0.243 nan 8.270 nan 0.000 0.432 299 R N 0.141 120.590 120.500 -0.085 0.000 2.075 299 R HA -0.058 4.282 4.340 0.001 0.000 0.232 299 R C 2.368 178.617 176.300 -0.085 0.000 1.126 299 R CA 1.554 57.585 56.100 -0.115 0.000 0.963 299 R CB -0.311 29.860 30.300 -0.215 0.000 0.858 299 R HN 0.302 nan 8.270 nan 0.000 0.435 300 I N 0.250 120.773 120.570 -0.078 0.000 2.226 300 I HA -0.265 3.905 4.170 0.001 0.000 0.245 300 I C 1.999 178.116 176.117 -0.001 0.000 1.100 300 I CA 1.441 62.713 61.300 -0.048 0.000 1.374 300 I CB -0.369 37.604 38.000 -0.046 0.000 1.057 300 I HN 0.195 nan 8.210 nan 0.000 0.413 301 T N 0.010 114.586 114.554 0.038 0.000 2.777 301 T HA -0.078 4.273 4.350 0.001 0.000 0.266 301 T C 0.891 175.607 174.700 0.027 0.000 1.040 301 T CA 0.727 62.867 62.100 0.067 0.000 1.141 301 T CB -0.249 68.697 68.868 0.130 0.000 0.868 301 T HN 0.378 nan 8.240 nan 0.000 0.444 305 T N 1.186 115.755 114.554 0.024 0.000 2.684 305 T HA -0.055 4.295 4.350 0.001 0.000 0.267 305 T C 2.087 176.796 174.700 0.014 0.000 1.036 305 T CA 2.476 64.589 62.100 0.021 0.000 1.148 305 T CB -0.475 68.401 68.868 0.013 0.000 0.863 305 T HN 0.985 nan 8.240 nan 0.000 0.436 306 A N 1.784 124.610 122.820 0.009 0.000 2.070 306 A HA -0.074 4.246 4.320 0.001 0.000 0.220 306 A C 1.946 179.534 177.584 0.007 0.000 1.159 306 A CA 1.138 53.179 52.037 0.007 0.000 0.656 306 A CB -0.308 18.694 19.000 0.004 0.000 0.800 306 A HN 0.445 nan 8.150 nan 0.000 0.453 307 N N 0.333 119.039 118.700 0.009 0.000 2.235 307 N HA 0.009 4.749 4.740 0.001 0.000 0.209 307 N C -0.588 174.925 175.510 0.005 0.000 1.122 307 N CA 0.028 53.082 53.050 0.006 0.000 0.845 307 N CB 0.077 38.569 38.487 0.008 0.000 1.004 307 N HN 0.386 nan 8.380 nan 0.000 0.499 308 N N 0.361 119.068 118.700 0.013 0.000 2.740 308 N HA -0.142 4.599 4.740 0.001 0.000 0.248 308 N C -1.051 174.477 175.510 0.030 0.000 1.062 308 N CA 0.454 53.516 53.050 0.019 0.000 0.704 308 N CB -1.306 37.187 38.487 0.009 0.000 0.968 308 N HN 0.003 nan 8.380 nan 0.000 0.547 309 V N 1.014 120.952 119.914 0.039 0.000 2.487 309 V HA 0.226 4.346 4.120 0.001 0.000 0.298 309 V C 0.551 176.692 176.094 0.079 0.000 1.028 309 V CA -0.709 61.625 62.300 0.056 0.000 0.860 309 V CB 2.278 34.126 31.823 0.041 0.000 0.991 309 V HN 0.094 nan 8.190 nan 0.000 0.427 310 Q N 2.211 122.079 119.800 0.115 0.000 2.312 310 Q HA 0.682 5.022 4.340 0.001 0.000 0.236 310 Q C -0.769 175.312 176.000 0.137 0.000 0.965 310 Q CA -0.406 55.482 55.803 0.143 0.000 0.894 310 Q CB 2.115 30.977 28.738 0.206 0.000 1.225 310 Q HN 0.570 nan 8.270 nan 0.000 0.478 314 H N 3.010 122.025 119.070 -0.091 0.000 2.972 314 H HA 0.274 4.831 4.556 0.001 0.000 0.343 314 H C -0.680 174.714 175.328 0.111 0.000 1.054 314 H CA 1.000 57.076 56.048 0.046 0.000 1.412 314 H CB 0.731 30.508 29.762 0.025 0.000 1.385 314 H HN 0.419 nan 8.280 nan 0.000 0.600 315 N N 5.461 123.916 118.700 -0.408 0.000 2.616 315 N HA 0.085 4.826 4.740 0.001 0.000 0.281 315 N C -2.241 173.154 175.510 -0.192 0.000 1.145 315 N CA -0.581 52.386 53.050 -0.138 0.000 0.919 315 N CB 0.596 39.144 38.487 0.102 0.000 1.509 315 N HN 0.626 nan 8.380 nan 0.000 0.537 316 W N 5.903 127.035 121.300 -0.280 0.000 1.824 316 W HA 0.367 5.027 4.660 0.001 0.000 0.304 316 W C -1.009 175.456 176.519 -0.091 0.000 1.021 316 W CA -0.315 56.917 57.345 -0.188 0.000 1.088 316 W CB 0.326 29.692 29.460 -0.157 0.000 1.089 316 W HN 0.652 nan 8.180 nan 0.000 0.296 317 K N 0.794 121.285 120.400 0.151 0.000 2.769 317 K HA 0.551 4.872 4.320 0.001 0.000 0.313 317 K C 0.751 177.355 176.600 0.008 0.000 0.981 317 K CA 1.294 57.652 56.287 0.118 0.000 1.048 317 K CB 0.351 32.891 32.500 0.066 0.000 3.495 317 K HN 0.078 nan 8.250 nan 0.000 1.181 318 T N -3.184 111.338 114.554 -0.053 0.000 2.762 318 T HA 0.451 4.801 4.350 0.001 0.000 0.272 318 T C 1.230 175.829 174.700 -0.169 0.000 0.982 318 T CA -0.216 61.817 62.100 -0.113 0.000 1.013 318 T CB 0.964 69.792 68.868 -0.067 0.000 1.309 318 T HN 0.359 nan 8.240 nan 0.000 0.572 319 G N -0.248 108.445 108.800 -0.178 0.000 2.498 319 G HA2 -0.023 3.938 3.960 0.001 0.000 0.219 319 G HA3 -0.023 3.938 3.960 0.001 0.000 0.219 319 G C 1.317 176.145 174.900 -0.120 0.000 1.119 319 G CA 0.649 45.644 45.100 -0.176 0.000 0.766 319 G HN 0.722 nan 8.290 nan 0.000 0.552 320 I N 0.562 121.079 120.570 -0.088 0.000 2.202 320 I HA -0.140 4.031 4.170 0.001 0.000 0.242 320 I C 2.925 178.988 176.117 -0.090 0.000 1.091 320 I CA 1.426 62.691 61.300 -0.059 0.000 1.368 320 I CB -0.487 37.495 38.000 -0.029 0.000 1.058 320 I HN 0.052 nan 8.210 nan 0.000 0.410 321 T N -0.177 114.310 114.554 -0.113 0.000 2.812 321 T HA -0.113 4.237 4.350 0.001 0.000 0.264 321 T C 2.146 176.682 174.700 -0.273 0.000 1.042 321 T CA 1.473 63.463 62.100 -0.183 0.000 1.140 321 T CB -0.110 68.699 68.868 -0.100 0.000 0.870 321 T HN 0.219 nan 8.240 nan 0.000 0.445 322 S N 1.284 116.851 115.700 -0.223 0.000 2.370 322 S HA -0.112 4.358 4.470 0.001 0.000 0.226 322 S C 2.502 177.100 174.600 -0.002 0.000 1.033 322 S CA 1.105 59.193 58.200 -0.187 0.000 1.011 322 S CB -0.482 62.468 63.200 -0.417 0.000 0.852 322 S HN 0.599 nan 8.310 nan 0.000 0.457 323 A N 1.265 124.057 122.820 -0.047 0.000 1.898 323 A HA 0.164 4.485 4.320 0.001 0.000 0.216 323 A C 2.341 179.964 177.584 0.065 0.000 1.181 323 A CA 1.621 53.672 52.037 0.024 0.000 0.620 323 A CB -1.012 18.006 19.000 0.030 0.000 0.819 323 A HN 0.520 nan 8.150 nan 0.000 0.442 324 A N -0.096 122.670 122.820 -0.089 0.000 1.933 324 A HA 0.173 4.493 4.320 0.001 0.000 0.218 324 A C 2.471 179.905 177.584 -0.251 0.000 1.175 324 A CA 1.974 53.917 52.037 -0.156 0.000 0.628 324 A CB -0.930 17.905 19.000 -0.276 0.000 0.814 324 A HN 1.005 nan 8.150 nan 0.000 0.444 325 A N 0.121 122.672 122.820 -0.447 0.000 1.877 325 A HA -0.110 4.210 4.320 0.001 0.000 0.216 325 A C 2.119 179.608 177.584 -0.158 0.000 1.186 325 A CA 1.564 53.433 52.037 -0.280 0.000 0.620 325 A CB -0.621 18.419 19.000 0.068 0.000 0.822 325 A HN 0.495 nan 8.150 nan 0.000 0.443 326 I N -1.163 119.333 120.570 -0.122 0.000 2.226 326 I HA -0.272 3.898 4.170 0.001 0.000 0.245 326 I C 2.496 178.518 176.117 -0.158 0.000 1.100 326 I CA 1.381 62.507 61.300 -0.290 0.000 1.374 326 I CB -0.555 37.279 38.000 -0.277 0.000 1.057 326 I HN 0.436 nan 8.210 nan 0.000 0.413 327 H N -0.673 118.397 119.070 0.001 0.000 2.357 327 H HA -0.224 4.333 4.556 0.001 0.000 0.301 327 H C 2.120 177.489 175.328 0.069 0.000 1.082 327 H CA 2.097 58.206 56.048 0.103 0.000 1.342 327 H CB -0.375 29.440 29.762 0.090 0.000 1.389 327 H HN 0.406 nan 8.280 nan 0.000 0.511 328 Y N 2.171 122.492 120.300 0.035 0.000 2.097 328 Y HA -0.307 4.243 4.550 0.001 0.000 0.282 328 Y C 2.805 178.654 175.900 -0.086 0.000 1.152 328 Y CA 2.101 60.212 58.100 0.018 0.000 1.136 328 Y CB -0.291 38.269 38.460 0.167 0.000 0.975 328 Y HN 0.035 nan 8.280 nan 0.000 0.498 329 Q N -0.066 119.553 119.800 -0.302 0.000 2.135 329 Q HA -0.186 4.154 4.340 0.001 0.000 0.204 329 Q C 1.905 177.605 176.000 -0.499 0.000 0.981 329 Q CA 2.248 57.718 55.803 -0.555 0.000 0.856 329 Q CB -0.745 27.385 28.738 -1.014 0.000 0.902 329 Q HN 0.582 nan 8.270 nan 0.000 0.425 330 F N -0.943 118.775 119.950 -0.387 0.000 2.146 330 F HA -0.014 4.514 4.527 0.001 0.000 0.298 330 F C 2.146 177.784 175.800 -0.270 0.000 1.096 330 F CA 1.350 59.128 58.000 -0.371 0.000 1.275 330 F CB -0.412 38.235 39.000 -0.588 0.000 1.008 330 F HN 0.201 nan 8.300 nan 0.000 0.480 331 A N -1.568 121.247 122.820 -0.008 0.000 2.140 331 A HA 0.257 4.577 4.320 0.001 0.000 0.209 331 A C 1.762 179.272 177.584 -0.124 0.000 1.181 331 A CA 0.909 52.949 52.037 0.006 0.000 0.824 331 A CB -0.216 18.869 19.000 0.142 0.000 0.879 331 A HN 0.139 nan 8.150 nan 0.000 0.480 332 V N -0.849 118.865 119.914 -0.333 0.000 3.250 332 V HA 0.210 4.331 4.120 0.001 0.000 0.240 332 V C 1.578 177.330 176.094 -0.570 0.000 1.275 332 V CA 0.283 62.325 62.300 -0.429 0.000 1.206 332 V CB -0.652 30.901 31.823 -0.450 0.000 0.976 332 V HN 0.453 nan 8.190 nan 0.000 0.467 333 G N 2.689 110.952 108.800 -0.895 0.000 2.368 333 G HA2 0.041 4.002 3.960 0.001 0.000 0.233 333 G HA3 0.041 4.002 3.960 0.001 0.000 0.233 333 G C 0.475 175.269 174.900 -0.178 0.000 1.267 333 G CA 0.656 45.452 45.100 -0.506 0.000 0.873 333 G HN 0.621 nan 8.290 nan 0.000 0.539 334 N N -0.061 118.624 118.700 -0.025 0.000 2.160 334 N HA 0.368 5.109 4.740 0.001 0.000 0.226 334 N C 0.210 175.746 175.510 0.044 0.000 1.256 334 N CA 0.219 53.270 53.050 0.001 0.000 0.890 334 N CB 0.728 39.228 38.487 0.022 0.000 1.116 334 N HN 0.631 nan 8.380 nan 0.000 0.517 335 A N 0.637 123.504 122.820 0.078 0.000 2.350 335 A HA 0.736 5.056 4.320 0.001 0.000 0.318 335 A C -1.775 175.822 177.584 0.020 0.000 1.132 335 A CA -1.485 50.614 52.037 0.103 0.000 0.811 335 A CB 1.059 20.186 19.000 0.210 0.000 1.313 335 A HN -0.039 nan 8.150 nan 0.000 0.454 336 P HA -0.032 nan 4.420 nan 0.000 0.218 336 P C -0.602 176.392 177.300 -0.510 0.000 1.148 336 P CA 1.582 64.420 63.100 -0.437 0.000 0.822 336 P CB -0.055 31.198 31.700 -0.745 0.000 0.784 337 Y N -2.132 118.247 120.300 0.132 0.000 2.705 337 Y HA 0.593 5.143 4.550 0.001 0.000 0.332 337 Y C -0.111 176.025 175.900 0.393 0.000 1.157 337 Y CA -1.662 56.556 58.100 0.197 0.000 1.091 337 Y CB 0.822 39.318 38.460 0.059 0.000 1.301 337 Y HN -0.247 nan 8.280 nan 0.000 0.488 338 F N -1.684 118.475 119.950 0.349 0.000 2.641 338 F HA 0.593 5.120 4.527 0.001 0.000 0.308 338 F C -0.905 174.871 175.800 -0.040 0.000 1.105 338 F CA -1.372 56.777 58.000 0.249 0.000 0.964 338 F CB 1.572 40.726 39.000 0.257 0.000 1.294 338 F HN 0.495 nan 8.300 nan 0.000 0.442 339 E N 2.168 122.253 120.200 -0.193 0.000 2.384 339 E HA 0.281 4.632 4.350 0.001 0.000 0.266 339 E C -1.996 174.382 176.600 -0.370 0.000 1.012 339 E CA -0.113 55.812 56.400 -0.792 0.000 0.901 339 E CB 0.755 30.212 29.700 -0.406 0.000 0.967 339 E HN 0.680 nan 8.360 nan 0.000 0.435 340 Y N 3.092 122.987 120.300 -0.676 0.000 2.544 340 Y HA 0.401 4.951 4.550 0.001 0.000 0.342 340 Y C -1.677 173.997 175.900 -0.376 0.000 1.062 340 Y CA -0.944 56.911 58.100 -0.408 0.000 1.023 340 Y CB 1.838 40.049 38.460 -0.415 0.000 1.308 340 Y HN 0.362 nan 8.280 nan 0.000 0.457 341 V N 6.557 126.023 119.914 -0.745 0.000 2.350 341 V HA 0.419 4.539 4.120 0.001 0.000 0.285 341 V C -1.379 174.398 176.094 -0.527 0.000 1.014 341 V CA -0.183 61.738 62.300 -0.633 0.000 0.831 341 V CB 0.710 32.028 31.823 -0.841 0.000 1.000 341 V HN 0.873 nan 8.190 nan 0.000 0.433 342 H N 7.857 126.799 119.070 -0.214 0.000 2.458 342 H HA 0.482 5.038 4.556 0.001 0.000 0.330 342 H C -2.162 173.143 175.328 -0.038 0.000 1.111 342 H CA -1.775 54.282 56.048 0.016 0.000 1.245 342 H CB 2.621 32.538 29.762 0.259 0.000 1.456 342 H HN 0.421 nan 8.280 nan 0.000 0.488 343 P HA -0.136 nan 4.420 nan 0.000 0.217 343 P C 0.636 177.937 177.300 0.002 0.000 1.148 343 P CA 1.375 64.381 63.100 -0.156 0.000 0.828 343 P CB 0.325 31.858 31.700 -0.279 0.000 0.783 344 E N -2.496 117.859 120.200 0.258 0.000 2.502 344 E HA 0.032 4.382 4.350 0.001 0.000 0.194 344 E C 0.156 176.431 176.600 -0.543 0.000 1.062 344 E CA 0.376 56.677 56.400 -0.165 0.000 0.867 344 E CB -0.092 29.420 29.700 -0.313 0.000 0.888 344 E HN 0.364 nan 8.360 nan 0.000 0.510 345 F N -0.339 119.590 119.950 -0.034 0.000 2.815 345 F HA 0.249 4.777 4.527 0.001 0.000 0.335 345 F C -0.177 175.561 175.800 -0.103 0.000 1.179 345 F CA -0.641 57.305 58.000 -0.090 0.000 1.204 345 F CB 1.315 40.245 39.000 -0.117 0.000 1.050 345 F HN -0.099 nan 8.300 nan 0.000 0.510 346 C N 0.393 119.693 119.300 -0.000 0.000 3.218 346 C HA 0.357 4.818 4.460 0.001 0.000 0.420 346 C C -1.329 173.627 174.990 -0.058 0.000 0.987 346 C CA -0.815 58.169 59.018 -0.057 0.000 1.196 346 C CB 0.295 27.896 27.740 -0.230 0.000 1.576 346 C HN 0.257 nan 8.230 nan 0.000 0.594 347 D N 2.178 122.586 120.400 0.013 0.000 2.304 347 D HA 0.628 5.269 4.640 0.001 0.000 0.247 347 D C 0.388 176.706 176.300 0.031 0.000 1.089 347 D CA 1.207 55.218 54.000 0.018 0.000 0.910 347 D CB 1.768 42.606 40.800 0.062 0.000 1.199 347 D HN 1.425 nan 8.370 nan 0.000 0.426 348 G N 1.720 110.507 108.800 -0.021 0.000 2.414 348 G HA2 -0.017 3.944 3.960 0.001 0.000 0.213 348 G HA3 -0.017 3.944 3.960 0.001 0.000 0.213 348 G C 0.339 175.114 174.900 -0.208 0.000 1.444 348 G CA -0.580 44.498 45.100 -0.037 0.000 1.076 348 G HN 0.207 nan 8.290 nan 0.000 0.638 349 E N 1.199 121.250 120.200 -0.250 0.000 2.077 349 E HA -0.037 4.314 4.350 0.001 0.000 0.193 349 E C 2.686 178.961 176.600 -0.542 0.000 0.989 349 E CA 1.186 57.346 56.400 -0.401 0.000 0.800 349 E CB -0.050 29.333 29.700 -0.528 0.000 0.746 349 E HN 0.540 nan 8.360 nan 0.000 0.452 350 L N 0.415 121.433 121.223 -0.343 0.000 1.989 350 L HA -0.202 4.139 4.340 0.001 0.000 0.211 350 L C 2.403 179.081 176.870 -0.320 0.000 1.071 350 L CA 1.621 56.329 54.840 -0.220 0.000 0.749 350 L CB -0.687 41.364 42.059 -0.014 0.000 0.890 350 L HN 0.024 nan 8.230 nan 0.000 0.431 351 R N 0.215 120.547 120.500 -0.280 0.000 2.105 351 R HA -0.156 4.184 4.340 0.001 0.000 0.239 351 R C 2.133 178.163 176.300 -0.450 0.000 1.135 351 R CA 1.659 57.571 56.100 -0.314 0.000 0.967 351 R CB -0.246 29.880 30.300 -0.290 0.000 0.861 351 R HN 0.323 nan 8.270 nan 0.000 0.442 352 K N -1.523 118.492 120.400 -0.641 0.000 2.031 352 K HA -0.085 4.235 4.320 0.001 0.000 0.205 352 K C 1.244 177.225 176.600 -1.032 0.000 1.049 352 K CA 1.605 57.326 56.287 -0.942 0.000 0.939 352 K CB 0.017 31.680 32.500 -1.394 0.000 0.717 352 K HN 0.278 nan 8.250 nan 0.000 0.438 353 Y N -0.722 119.202 120.300 -0.627 0.000 2.453 353 Y HA 0.135 4.685 4.550 0.001 0.000 0.247 353 Y C 1.489 176.938 175.900 -0.751 0.000 1.124 353 Y CA -0.614 57.033 58.100 -0.755 0.000 1.243 353 Y CB -0.162 37.682 38.460 -1.027 0.000 1.213 353 Y HN -0.104 nan 8.280 nan 0.000 0.523 354 L N 0.819 121.704 121.223 -0.564 0.000 2.013 354 L HA -0.079 4.261 4.340 0.001 0.000 0.212 354 L C 0.788 177.636 176.870 -0.035 0.000 1.073 354 L CA 1.404 56.154 54.840 -0.150 0.000 0.753 354 L CB -0.287 41.748 42.059 -0.040 0.000 0.890 354 L HN 0.056 nan 8.230 nan 0.000 0.432 355 V N -4.839 115.025 119.914 -0.085 0.000 3.074 355 V HA 0.764 4.884 4.120 0.001 0.000 0.314 355 V C -0.314 175.757 176.094 -0.039 0.000 1.117 355 V CA -0.093 62.188 62.300 -0.031 0.000 1.014 355 V CB 1.517 33.325 31.823 -0.024 0.000 1.057 355 V HN 0.137 nan 8.190 nan 0.000 0.438 356 T N 2.213 116.765 114.554 -0.004 0.000 2.900 356 T HA 0.727 5.078 4.350 0.001 0.000 0.303 356 T C -3.023 171.684 174.700 0.011 0.000 1.142 356 T CA -1.319 60.782 62.100 0.001 0.000 1.007 356 T CB 2.365 71.246 68.868 0.020 0.000 1.156 356 T HN 0.928 nan 8.240 nan 0.000 0.490 357 P HA 0.451 nan 4.420 nan 0.000 0.281 357 P C -1.105 176.191 177.300 -0.008 0.000 1.281 357 P CA -0.432 62.673 63.100 0.007 0.000 0.811 357 P CB 0.834 32.545 31.700 0.018 0.000 1.154 358 E N 0.102 120.299 120.200 -0.006 0.000 2.227 358 E HA 0.478 4.829 4.350 0.001 0.000 0.282 358 E C -0.496 176.122 176.600 0.030 0.000 1.015 358 E CA -0.756 55.633 56.400 -0.018 0.000 0.823 358 E CB 0.568 30.243 29.700 -0.042 0.000 1.081 358 E HN 0.501 nan 8.360 nan 0.000 0.396 359 A N 4.343 127.174 122.820 0.019 0.000 2.531 359 A HA 0.066 4.386 4.320 0.001 0.000 0.236 359 A C 0.149 177.890 177.584 0.262 0.000 1.062 359 A CA 0.056 52.115 52.037 0.038 0.000 0.760 359 A CB 0.061 18.887 19.000 -0.289 0.000 0.995 359 A HN 0.761 nan 8.150 nan 0.000 0.501 360 E N 1.759 122.134 120.200 0.291 0.000 2.089 360 E HA 0.358 4.708 4.350 0.001 0.000 0.284 360 E C -1.118 175.678 176.600 0.326 0.000 1.023 360 E CA -0.631 55.947 56.400 0.298 0.000 0.819 360 E CB 0.546 30.348 29.700 0.170 0.000 1.076 360 E HN 0.545 nan 8.360 nan 0.000 0.396 361 L N 6.221 127.597 121.223 0.255 0.000 2.325 361 L HA 0.197 4.537 4.340 0.001 0.000 0.284 361 L C -1.247 175.562 176.870 -0.103 0.000 1.089 361 L CA -0.084 54.646 54.840 -0.184 0.000 0.836 361 L CB 0.992 42.918 42.059 -0.223 0.000 1.184 361 L HN 0.340 nan 8.230 nan 0.000 0.444 362 V N 5.134 124.964 119.914 -0.141 0.000 2.350 362 V HA 0.278 4.398 4.120 0.001 0.000 0.285 362 V C 0.084 176.131 176.094 -0.077 0.000 1.014 362 V CA -0.601 61.662 62.300 -0.062 0.000 0.831 362 V CB 1.008 32.821 31.823 -0.017 0.000 1.000 362 V HN 0.844 nan 8.190 nan 0.000 0.433 363 D N 4.647 125.014 120.400 -0.054 0.000 2.699 363 D HA -0.151 4.489 4.640 0.001 0.000 0.239 363 D C 1.211 177.486 176.300 -0.041 0.000 1.136 363 D CA 1.805 55.782 54.000 -0.038 0.000 0.668 363 D CB -1.015 39.776 40.800 -0.014 0.000 1.060 363 D HN 1.456 nan 8.370 nan 0.000 0.429 364 G N -1.513 107.221 108.800 -0.110 0.000 2.155 364 G HA2 -0.000 3.960 3.960 0.001 0.000 0.257 364 G HA3 -0.000 3.960 3.960 0.001 0.000 0.257 364 G C 0.616 175.422 174.900 -0.157 0.000 0.983 364 G CA 0.483 45.498 45.100 -0.143 0.000 0.676 364 G HN 1.294 nan 8.290 nan 0.000 0.528 365 G N -1.524 107.087 108.800 -0.315 0.000 2.694 365 G HA2 0.740 4.701 3.960 0.001 0.000 0.290 365 G HA3 0.740 4.701 3.960 0.001 0.000 0.290 365 G C -1.198 173.324 174.900 -0.630 0.000 1.386 365 G CA -1.053 43.701 45.100 -0.575 0.000 0.872 365 G HN 0.357 nan 8.290 nan 0.000 0.475 366 F N 0.401 120.214 119.950 -0.229 0.000 2.508 366 F HA 0.744 5.271 4.527 0.001 0.000 0.325 366 F C 0.799 176.621 175.800 0.037 0.000 1.090 366 F CA -0.708 57.245 58.000 -0.079 0.000 0.945 366 F CB 2.217 41.186 39.000 -0.053 0.000 1.156 366 F HN 0.655 nan 8.300 nan 0.000 0.463 367 A N 2.521 125.503 122.820 0.271 0.000 2.257 367 A HA 0.511 4.831 4.320 0.001 0.000 0.289 367 A C -0.162 177.464 177.584 0.070 0.000 1.095 367 A CA -0.849 51.294 52.037 0.176 0.000 0.836 367 A CB 0.404 19.449 19.000 0.075 0.000 1.111 367 A HN 0.735 nan 8.150 nan 0.000 0.497 368 K N 0.945 121.201 120.400 -0.240 0.000 2.451 368 K HA 0.222 4.542 4.320 0.001 0.000 0.280 368 K C -2.449 173.905 176.600 -0.410 0.000 1.020 368 K CA -0.886 54.892 56.287 -0.847 0.000 1.008 368 K CB -0.200 31.850 32.500 -0.750 0.000 0.917 368 K HN 0.376 nan 8.250 nan 0.000 0.478 369 P HA -0.020 nan 4.420 nan 0.000 0.268 369 P C 0.438 177.758 177.300 0.034 0.000 1.205 369 P CA 0.043 63.071 63.100 -0.119 0.000 0.771 369 P CB 0.801 32.403 31.700 -0.163 0.000 0.858 370 T N -1.181 113.386 114.554 0.021 0.000 2.978 370 T HA 0.372 4.722 4.350 0.001 0.000 0.248 370 T C 0.862 175.571 174.700 0.014 0.000 1.018 370 T CA -0.025 62.086 62.100 0.017 0.000 1.026 370 T CB -0.146 68.723 68.868 0.002 0.000 1.032 370 T HN 0.382 nan 8.240 nan 0.000 0.485 371 A N 2.852 125.689 122.820 0.028 0.000 2.327 371 A HA 0.630 4.950 4.320 0.001 0.000 0.255 371 A C -2.532 175.056 177.584 0.007 0.000 1.099 371 A CA -1.373 50.673 52.037 0.015 0.000 0.801 371 A CB -0.341 18.671 19.000 0.021 0.000 1.062 371 A HN 0.258 nan 8.150 nan 0.000 0.496 372 P HA 0.377 nan 4.420 nan 0.000 0.272 372 P C 1.001 178.267 177.300 -0.056 0.000 1.223 372 P CA 1.428 64.500 63.100 -0.047 0.000 0.784 372 P CB 0.610 32.275 31.700 -0.058 0.000 0.923 373 G N 1.566 110.316 108.800 -0.084 0.000 2.614 373 G HA2 -0.322 3.639 3.960 0.001 0.000 0.303 373 G HA3 -0.322 3.639 3.960 0.001 0.000 0.303 373 G C 0.789 175.569 174.900 -0.199 0.000 1.270 373 G CA 0.250 45.281 45.100 -0.115 0.000 0.988 373 G HN 0.506 nan 8.290 nan 0.000 0.551 374 L N 2.177 123.298 121.223 -0.170 0.000 2.552 374 L HA 0.300 4.640 4.340 0.001 0.000 0.227 374 L C 2.262 179.150 176.870 0.030 0.000 1.146 374 L CA 0.902 55.637 54.840 -0.174 0.000 0.858 374 L CB -0.720 41.287 42.059 -0.087 0.000 0.969 374 L HN 1.866 nan 8.230 nan 0.000 0.451 375 G N 2.021 110.831 108.800 0.018 0.000 2.295 375 G HA2 -0.286 3.674 3.960 0.001 0.000 0.287 375 G HA3 -0.286 3.674 3.960 0.001 0.000 0.287 375 G C 0.036 174.955 174.900 0.030 0.000 1.055 375 G CA 0.760 45.885 45.100 0.042 0.000 0.922 375 G HN 0.538 nan 8.290 nan 0.000 0.503 376 I N -4.542 116.040 120.570 0.019 0.000 3.095 376 I HA 0.949 5.120 4.170 0.001 0.000 0.310 376 I C -1.185 174.960 176.117 0.046 0.000 1.196 376 I CA -1.383 59.932 61.300 0.025 0.000 0.985 376 I CB 2.734 40.743 38.000 0.016 0.000 1.250 376 I HN -0.007 nan 8.210 nan 0.000 0.446 377 D N 2.257 122.693 120.400 0.059 0.000 2.623 377 D HA 0.463 5.104 4.640 0.001 0.000 0.241 377 D C -1.184 175.167 176.300 0.086 0.000 1.241 377 D CA -0.409 53.654 54.000 0.106 0.000 0.788 377 D CB 2.863 43.735 40.800 0.120 0.000 1.413 377 D HN 0.651 nan 8.370 nan 0.000 0.429 378 L N 1.839 123.121 121.223 0.099 0.000 2.461 378 L HA 0.174 4.514 4.340 0.001 0.000 0.272 378 L C 1.106 178.032 176.870 0.094 0.000 1.197 378 L CA -0.236 54.655 54.840 0.085 0.000 0.836 378 L CB 0.235 42.336 42.059 0.070 0.000 1.105 378 L HN 0.262 nan 8.230 nan 0.000 0.477 379 N N 2.169 120.939 118.700 0.117 0.000 2.807 379 N HA -0.023 4.717 4.740 0.001 0.000 0.259 379 N C 0.747 176.355 175.510 0.163 0.000 1.149 379 N CA -0.032 53.099 53.050 0.136 0.000 1.042 379 N CB 0.893 39.474 38.487 0.157 0.000 1.367 379 N HN 0.567 nan 8.380 nan 0.000 0.516 380 Q N 1.482 121.347 119.800 0.108 0.000 2.197 380 Q HA -0.207 4.134 4.340 0.001 0.000 0.211 380 Q C 1.183 177.233 176.000 0.084 0.000 0.993 380 Q CA 1.742 57.594 55.803 0.082 0.000 0.883 380 Q CB 0.192 28.964 28.738 0.056 0.000 0.916 380 Q HN 0.541 nan 8.270 nan 0.000 0.418 381 E N -0.860 119.398 120.200 0.096 0.000 2.023 381 E HA -0.197 4.153 4.350 0.001 0.000 0.196 381 E C 1.805 178.469 176.600 0.108 0.000 1.003 381 E CA 1.279 57.729 56.400 0.084 0.000 0.809 381 E CB -0.594 29.154 29.700 0.080 0.000 0.755 381 E HN 0.443 nan 8.360 nan 0.000 0.449 382 F N 1.558 121.521 119.950 0.022 0.000 2.095 382 F HA -0.173 4.354 4.527 0.001 0.000 0.298 382 F C 2.344 178.182 175.800 0.063 0.000 1.104 382 F CA 1.183 59.206 58.000 0.038 0.000 1.232 382 F CB -0.336 38.706 39.000 0.070 0.000 0.987 382 F HN -0.038 nan 8.300 nan 0.000 0.475 383 L N -0.110 121.170 121.223 0.094 0.000 2.141 383 L HA -0.103 4.237 4.340 0.001 0.000 0.209 383 L C 2.459 179.291 176.870 -0.063 0.000 1.094 383 L CA 1.245 56.084 54.840 -0.003 0.000 0.763 383 L CB -0.661 41.455 42.059 0.094 0.000 0.908 383 L HN 0.249 nan 8.230 nan 0.000 0.437 384 A N -0.727 122.075 122.820 -0.031 0.000 2.070 384 A HA -0.173 4.148 4.320 0.001 0.000 0.220 384 A C 2.171 179.713 177.584 -0.069 0.000 1.159 384 A CA 1.691 53.708 52.037 -0.033 0.000 0.656 384 A CB -0.458 18.537 19.000 -0.008 0.000 0.800 384 A HN 0.620 nan 8.150 nan 0.000 0.453 385 S N -2.275 113.348 115.700 -0.130 0.000 2.539 385 S HA 0.515 4.985 4.470 0.001 0.000 0.221 385 S C 0.172 174.661 174.600 -0.185 0.000 0.987 385 S CA 0.001 58.115 58.200 -0.143 0.000 0.929 385 S CB -0.190 62.927 63.200 -0.139 0.000 0.832 385 S HN 0.517 nan 8.310 nan 0.000 0.492 386 L N 0.000 121.096 121.223 -0.212 0.000 2.949 386 L HA 0.000 4.340 4.340 0.001 0.000 0.249 386 L CA 0.000 54.742 54.840 -0.163 0.000 0.813 386 L CB 0.000 41.992 42.059 -0.111 0.000 0.961 386 L HN 0.000 nan 8.230 nan 0.000 0.502