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 2e9f_1_C DATA FIRST_RESID 14 DATA SEQUENCE PDALAARFNA SLAFDRALWR EDLWQNRVHA RMLHAVGLLS AEELEAILKG DATA SEQUENCE LDRIEEEIEA GTFPWREELE DVHMNLEARL TELVGPPGGK LHTARSRNDQ DATA SEQUENCE VATDLRLYLR GAIDELLALL LALRRVLVRE AEKHLDPLYV LPGYTHLQRA DATA SEQUENCE QPVLLAHWFL AYYEMLKRDA GRLEDAKERL NESPLGAAAL AGTGFPIDRH DATA SEQUENCE FTARELGFKA PMRNSLDAVA SRDFALEVLS ALNIGMLHLS RMAEELILYS DATA SEQUENCE TEEFGFVEVP DAFATGSSIM PQKKNPDILE LIRAKAGRVL GAFVGLSAVV DATA SEQUENCE KGLPLAYNKD LQEDKEPLLD ALATYRDSLR LLAALLPGLK WRRERMWRAA DATA SEQUENCE EGGYTLATEL ADYLAEKGLP FREAHHVVGR LVRRLVEEGR ALKDLTLEEL DATA SEQUENCE QAHHPLFAED ALPLLRLETA IHRRRSYGGT APEAVRERLE EAKKEVGL 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 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.300 177.300 0.001 0.000 1.155 14 P CA 0.000 63.095 63.100 -0.009 0.000 0.800 14 P CB 0.000 31.688 31.700 -0.020 0.000 0.726 15 D N 0.292 120.697 120.400 0.008 0.000 2.091 15 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 15 D C 1.816 178.132 176.300 0.026 0.000 0.980 15 D CA 1.522 55.532 54.000 0.017 0.000 0.831 15 D CB 0.163 40.973 40.800 0.016 0.000 0.987 15 D HN 0.254 nan 8.370 nan 0.000 0.460 16 A N 1.694 124.528 122.820 0.024 0.000 1.908 16 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 16 A C 2.302 179.912 177.584 0.044 0.000 1.181 16 A CA 0.829 52.884 52.037 0.031 0.000 0.627 16 A CB -0.848 18.167 19.000 0.025 0.000 0.818 16 A HN 0.255 nan 8.150 nan 0.000 0.445 17 L N -0.627 120.615 121.223 0.032 0.000 1.970 17 L HA -0.246 4.094 4.340 -0.000 0.000 0.212 17 L C 2.929 179.844 176.870 0.075 0.000 1.071 17 L CA 1.997 56.857 54.840 0.034 0.000 0.751 17 L CB -0.704 41.346 42.059 -0.015 0.000 0.889 17 L HN 0.442 nan 8.230 nan 0.000 0.432 18 A N -0.320 122.534 122.820 0.057 0.000 1.883 18 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 18 A C 2.441 180.115 177.584 0.150 0.000 1.186 18 A CA 2.008 54.110 52.037 0.109 0.000 0.624 18 A CB -0.918 18.122 19.000 0.067 0.000 0.822 18 A HN 0.620 nan 8.150 nan 0.000 0.444 19 A N -0.529 122.350 122.820 0.098 0.000 1.865 19 A HA -0.080 4.240 4.320 -0.000 0.000 0.217 19 A C 2.513 180.156 177.584 0.098 0.000 1.191 19 A CA 3.335 55.423 52.037 0.084 0.000 0.623 19 A CB -1.128 17.906 19.000 0.057 0.000 0.826 19 A HN 0.811 nan 8.150 nan 0.000 0.444 20 R N -1.499 119.066 120.500 0.108 0.000 2.073 20 R HA -0.120 4.220 4.340 -0.000 0.000 0.234 20 R C 2.096 178.495 176.300 0.165 0.000 1.134 20 R CA 1.926 58.093 56.100 0.112 0.000 0.952 20 R CB -1.759 28.606 30.300 0.107 0.000 0.850 20 R HN 0.654 nan 8.270 nan 0.000 0.433 21 F N 2.211 122.183 119.950 0.037 0.000 2.161 21 F HA -0.167 4.360 4.527 -0.000 0.000 0.300 21 F C 2.179 178.014 175.800 0.058 0.000 1.089 21 F CA 1.915 59.943 58.000 0.046 0.000 1.282 21 F CB -0.070 38.951 39.000 0.035 0.000 1.010 21 F HN 0.369 nan 8.300 nan 0.000 0.485 22 N N 0.569 119.353 118.700 0.140 0.000 2.376 22 N HA -0.004 4.736 4.740 -0.000 0.000 0.177 22 N C 0.505 176.022 175.510 0.012 0.000 1.024 22 N CA 0.648 53.729 53.050 0.052 0.000 0.893 22 N CB -0.139 38.409 38.487 0.102 0.000 0.980 22 N HN 0.194 nan 8.380 nan 0.000 0.439 23 A N 0.553 123.381 122.820 0.013 0.000 2.498 23 A HA 0.203 4.523 4.320 -0.000 0.000 0.239 23 A C 1.092 178.604 177.584 -0.119 0.000 1.068 23 A CA 0.321 52.335 52.037 -0.038 0.000 0.766 23 A CB 0.233 19.218 19.000 -0.024 0.000 1.003 23 A HN 0.452 nan 8.150 nan 0.000 0.497 24 S N 1.609 117.150 115.700 -0.266 0.000 2.578 24 S HA 0.044 4.514 4.470 -0.000 0.000 0.228 24 S C 1.378 175.401 174.600 -0.960 0.000 1.022 24 S CA 0.351 58.114 58.200 -0.729 0.000 0.967 24 S CB -0.385 62.521 63.200 -0.491 0.000 0.914 24 S HN 0.630 nan 8.310 nan 0.000 0.515 25 L N 2.950 123.894 121.223 -0.465 0.000 1.997 25 L HA -0.028 4.312 4.340 -0.000 0.000 0.216 25 L C 2.726 179.344 176.870 -0.421 0.000 1.074 25 L CA 2.177 56.800 54.840 -0.362 0.000 0.763 25 L CB -1.171 40.802 42.059 -0.143 0.000 0.890 25 L HN 0.413 nan 8.230 nan 0.000 0.434 26 A N -0.799 121.833 122.820 -0.315 0.000 2.023 26 A HA -0.300 4.020 4.320 -0.000 0.000 0.223 26 A C 1.934 179.443 177.584 -0.125 0.000 1.180 26 A CA 2.708 54.642 52.037 -0.172 0.000 0.659 26 A CB -1.084 17.904 19.000 -0.019 0.000 0.817 26 A HN 0.754 nan 8.150 nan 0.000 0.466 27 F N -1.377 118.495 119.950 -0.130 0.000 2.699 27 F HA 0.219 4.746 4.527 -0.000 0.000 0.295 27 F C 1.241 176.944 175.800 -0.160 0.000 1.052 27 F CA 0.282 58.201 58.000 -0.134 0.000 1.239 27 F CB -0.275 38.663 39.000 -0.102 0.000 1.018 27 F HN 0.166 nan 8.300 nan 0.000 0.627 28 D N 2.438 122.536 120.400 -0.505 0.000 2.371 28 D HA -0.167 4.473 4.640 -0.000 0.000 0.221 28 D C 1.735 177.888 176.300 -0.246 0.000 0.986 28 D CA 0.805 54.645 54.000 -0.266 0.000 0.899 28 D CB -0.560 40.034 40.800 -0.343 0.000 0.902 28 D HN 0.628 nan 8.370 nan 0.000 0.530 29 R N 0.064 120.370 120.500 -0.323 0.000 2.280 29 R HA 0.191 4.530 4.340 -0.000 0.000 0.207 29 R C 1.960 178.175 176.300 -0.141 0.000 1.043 29 R CA 0.881 56.746 56.100 -0.392 0.000 1.006 29 R CB -0.451 29.309 30.300 -0.901 0.000 0.885 29 R HN 0.071 nan 8.270 nan 0.000 0.467 30 A N 1.374 124.124 122.820 -0.117 0.000 2.019 30 A HA -0.020 4.300 4.320 -0.000 0.000 0.219 30 A C 1.445 178.999 177.584 -0.050 0.000 1.164 30 A CA 0.799 52.812 52.037 -0.041 0.000 0.644 30 A CB -0.090 18.836 19.000 -0.123 0.000 0.805 30 A HN 0.280 nan 8.150 nan 0.000 0.449 31 L N 0.529 121.688 121.223 -0.107 0.000 2.851 31 L HA 0.087 4.427 4.340 -0.000 0.000 0.237 31 L C 1.727 178.638 176.870 0.069 0.000 1.257 31 L CA -0.171 54.638 54.840 -0.053 0.000 1.061 31 L CB -0.627 41.381 42.059 -0.086 0.000 1.372 31 L HN 0.760 nan 8.230 nan 0.000 0.493 32 W N -0.426 120.896 121.300 0.037 0.000 2.379 32 W HA -0.111 4.548 4.660 -0.000 0.000 0.307 32 W C 1.686 178.268 176.519 0.104 0.000 1.200 32 W CA 0.400 57.791 57.345 0.078 0.000 1.297 32 W CB -0.796 28.739 29.460 0.125 0.000 1.140 32 W HN 0.178 nan 8.180 nan 0.000 0.507 33 R N 1.037 121.036 120.500 -0.834 0.000 2.096 33 R HA -0.199 4.141 4.340 -0.000 0.000 0.240 33 R C 2.044 178.269 176.300 -0.126 0.000 1.139 33 R CA 2.506 58.133 56.100 -0.789 0.000 0.952 33 R CB -0.465 29.258 30.300 -0.960 0.000 0.854 33 R HN 0.132 nan 8.270 nan 0.000 0.436 34 E N 0.191 120.391 120.200 0.002 0.000 2.204 34 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 34 E C 1.432 178.146 176.600 0.191 0.000 0.989 34 E CA 1.083 57.591 56.400 0.180 0.000 0.824 34 E CB -0.151 29.668 29.700 0.197 0.000 0.756 34 E HN 0.240 nan 8.360 nan 0.000 0.477 35 D N -0.611 119.895 120.400 0.177 0.000 2.149 35 D HA -0.084 4.556 4.640 -0.000 0.000 0.201 35 D C 1.646 178.072 176.300 0.210 0.000 0.972 35 D CA 0.349 54.469 54.000 0.200 0.000 0.835 35 D CB 0.069 40.990 40.800 0.202 0.000 0.966 35 D HN 0.101 nan 8.370 nan 0.000 0.476 36 L N -0.281 121.085 121.223 0.239 0.000 2.072 36 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 36 L C 1.922 178.957 176.870 0.276 0.000 1.079 36 L CA 1.371 56.358 54.840 0.246 0.000 0.752 36 L CB -0.818 41.416 42.059 0.292 0.000 0.906 36 L HN 0.205 nan 8.230 nan 0.000 0.436 37 W N 0.597 121.924 121.300 0.045 0.000 2.355 37 W HA -0.246 4.414 4.660 -0.000 0.000 0.309 37 W C 2.649 179.197 176.519 0.048 0.000 1.206 37 W CA 2.071 59.430 57.345 0.023 0.000 1.284 37 W CB -0.800 28.646 29.460 -0.023 0.000 1.145 37 W HN 0.410 nan 8.180 nan 0.000 0.502 38 Q N 0.014 119.872 119.800 0.097 0.000 2.170 38 Q HA -0.217 4.123 4.340 -0.000 0.000 0.203 38 Q C 1.890 177.935 176.000 0.076 0.000 0.976 38 Q CA 1.692 57.478 55.803 -0.028 0.000 0.858 38 Q CB -0.363 28.373 28.738 -0.004 0.000 0.907 38 Q HN 0.219 nan 8.270 nan 0.000 0.433 39 N N 0.589 119.371 118.700 0.138 0.000 2.084 39 N HA -0.131 4.609 4.740 -0.000 0.000 0.190 39 N C 1.708 177.325 175.510 0.178 0.000 1.030 39 N CA 1.170 54.318 53.050 0.162 0.000 0.849 39 N CB -0.244 38.337 38.487 0.157 0.000 1.012 39 N HN 0.239 nan 8.380 nan 0.000 0.423 40 R N 0.395 121.003 120.500 0.179 0.000 2.091 40 R HA -0.060 4.280 4.340 -0.000 0.000 0.238 40 R C 2.185 178.578 176.300 0.155 0.000 1.136 40 R CA 1.055 57.260 56.100 0.174 0.000 0.959 40 R CB -0.406 30.023 30.300 0.215 0.000 0.856 40 R HN 0.050 nan 8.270 nan 0.000 0.437 41 V N 0.046 120.030 119.914 0.117 0.000 2.307 41 V HA -0.272 3.847 4.120 -0.000 0.000 0.245 41 V C 2.329 178.491 176.094 0.114 0.000 1.045 41 V CA 1.850 64.176 62.300 0.044 0.000 1.024 41 V CB -0.803 30.956 31.823 -0.108 0.000 0.651 41 V HN 0.458 nan 8.190 nan 0.000 0.449 42 H N 0.407 119.499 119.070 0.036 0.000 2.352 42 H HA -0.204 4.352 4.556 -0.000 0.000 0.299 42 H C 2.258 177.641 175.328 0.091 0.000 1.097 42 H CA 1.938 58.017 56.048 0.052 0.000 1.311 42 H CB 0.142 29.919 29.762 0.025 0.000 1.377 42 H HN 0.421 nan 8.280 nan 0.000 0.504 43 A N 1.252 124.145 122.820 0.121 0.000 1.855 43 A HA -0.163 4.157 4.320 -0.000 0.000 0.215 43 A C 2.550 180.200 177.584 0.109 0.000 1.191 43 A CA 1.346 53.433 52.037 0.084 0.000 0.613 43 A CB -0.561 18.507 19.000 0.113 0.000 0.829 43 A HN 0.406 nan 8.150 nan 0.000 0.442 44 R N -1.372 119.232 120.500 0.173 0.000 2.133 44 R HA -0.164 4.176 4.340 -0.000 0.000 0.247 44 R C 2.237 178.751 176.300 0.356 0.000 1.151 44 R CA 1.724 57.992 56.100 0.279 0.000 0.971 44 R CB -0.322 30.174 30.300 0.327 0.000 0.866 44 R HN 0.588 nan 8.270 nan 0.000 0.447 45 M N 0.498 120.296 119.600 0.329 0.000 2.334 45 M HA -0.045 4.435 4.480 -0.000 0.000 0.266 45 M C 1.750 178.036 176.300 -0.024 0.000 1.082 45 M CA 1.425 56.856 55.300 0.217 0.000 1.141 45 M CB -0.078 32.713 32.600 0.317 0.000 1.380 45 M HN 0.174 nan 8.290 nan 0.000 0.440 46 L N -0.347 120.831 121.223 -0.076 0.000 1.994 46 L HA -0.251 4.089 4.340 -0.000 0.000 0.208 46 L C 2.644 179.503 176.870 -0.018 0.000 1.071 46 L CA 1.872 56.652 54.840 -0.101 0.000 0.745 46 L CB -1.298 40.692 42.059 -0.115 0.000 0.892 46 L HN 0.386 nan 8.230 nan 0.000 0.431 47 H N 0.238 119.282 119.070 -0.043 0.000 2.265 47 H HA -0.210 4.346 4.556 0.000 0.000 0.295 47 H C 2.046 177.338 175.328 -0.060 0.000 1.084 47 H CA 1.897 57.927 56.048 -0.030 0.000 1.261 47 H CB -0.187 29.574 29.762 -0.002 0.000 1.360 47 H HN 0.296 nan 8.280 nan 0.000 0.487 48 A N 0.453 123.128 122.820 -0.242 0.000 1.848 48 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 48 A C 2.772 180.179 177.584 -0.295 0.000 1.220 48 A CA 2.604 54.421 52.037 -0.367 0.000 0.645 48 A CB -1.393 17.338 19.000 -0.448 0.000 0.842 48 A HN 0.382 nan 8.150 nan 0.000 0.451 49 V N -0.632 119.155 119.914 -0.211 0.000 2.592 49 V HA -0.174 3.946 4.120 -0.000 0.000 0.262 49 V C 1.950 177.980 176.094 -0.107 0.000 1.108 49 V CA 2.339 64.559 62.300 -0.133 0.000 1.121 49 V CB -1.381 30.392 31.823 -0.083 0.000 0.689 49 V HN 1.697 nan 8.190 nan 0.000 0.479 50 G N -1.324 107.397 108.800 -0.132 0.000 2.148 50 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.203 50 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.203 50 G C 0.390 175.274 174.900 -0.027 0.000 0.993 50 G CA 0.237 45.280 45.100 -0.095 0.000 0.661 50 G HN 0.465 nan 8.290 nan 0.000 0.518 51 L N -0.245 120.972 121.223 -0.011 0.000 2.592 51 L HA 0.513 4.853 4.340 -0.000 0.000 0.227 51 L C 0.698 177.589 176.870 0.035 0.000 1.127 51 L CA 0.408 55.263 54.840 0.026 0.000 0.884 51 L CB 0.196 42.263 42.059 0.014 0.000 1.065 51 L HN 0.196 nan 8.230 nan 0.000 0.457 52 L N -0.847 120.408 121.223 0.053 0.000 2.493 52 L HA 0.299 4.639 4.340 -0.000 0.000 0.265 52 L C 0.264 177.225 176.870 0.151 0.000 0.954 52 L CA -0.473 54.421 54.840 0.091 0.000 0.844 52 L CB 2.401 44.520 42.059 0.100 0.000 1.302 52 L HN -0.001 nan 8.230 nan 0.000 0.405 53 S N 1.692 117.461 115.700 0.114 0.000 2.606 53 S HA 0.312 4.782 4.470 -0.000 0.000 0.257 53 S C 1.211 175.914 174.600 0.171 0.000 1.327 53 S CA 0.289 58.565 58.200 0.127 0.000 0.984 53 S CB 1.423 64.665 63.200 0.070 0.000 0.941 53 S HN 0.726 nan 8.310 nan 0.000 0.576 54 A N 0.563 123.470 122.820 0.145 0.000 1.929 54 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 54 A C 2.164 179.721 177.584 -0.045 0.000 1.176 54 A CA 1.242 53.274 52.037 -0.008 0.000 0.628 54 A CB -1.002 18.026 19.000 0.046 0.000 0.816 54 A HN 0.936 nan 8.150 nan 0.000 0.444 55 E N 0.079 120.283 120.200 0.006 0.000 2.085 55 E HA -0.236 4.114 4.350 -0.000 0.000 0.194 55 E C 1.945 178.544 176.600 -0.001 0.000 0.994 55 E CA 1.527 57.928 56.400 0.001 0.000 0.801 55 E CB -0.238 29.470 29.700 0.014 0.000 0.743 55 E HN 0.753 nan 8.360 nan 0.000 0.453 56 E N 0.737 120.945 120.200 0.014 0.000 2.031 56 E HA -0.204 4.146 4.350 -0.000 0.000 0.193 56 E C 2.229 178.833 176.600 0.007 0.000 0.994 56 E CA 0.889 57.301 56.400 0.020 0.000 0.800 56 E CB -0.197 29.527 29.700 0.040 0.000 0.752 56 E HN 0.077 nan 8.360 nan 0.000 0.447 57 L N 1.842 123.055 121.223 -0.016 0.000 1.971 57 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 57 L C 2.109 178.956 176.870 -0.040 0.000 1.072 57 L CA 2.755 57.571 54.840 -0.039 0.000 0.758 57 L CB -1.018 40.950 42.059 -0.152 0.000 0.889 57 L HN 0.153 nan 8.230 nan 0.000 0.433 58 E N -0.837 119.322 120.200 -0.069 0.000 2.381 58 E HA 0.368 4.718 4.350 -0.000 0.000 0.198 58 E C 1.291 177.883 176.600 -0.014 0.000 1.204 58 E CA 0.816 57.191 56.400 -0.042 0.000 0.998 58 E CB -0.985 28.683 29.700 -0.053 0.000 1.080 58 E HN 0.793 nan 8.360 nan 0.000 0.481 59 A N -0.784 122.035 122.820 -0.002 0.000 1.878 59 A HA 0.357 4.676 4.320 -0.000 0.000 0.201 59 A C 2.024 179.620 177.584 0.020 0.000 1.684 59 A CA 0.554 52.596 52.037 0.009 0.000 1.113 59 A CB 0.200 19.206 19.000 0.010 0.000 1.131 59 A HN 0.353 nan 8.150 nan 0.000 0.472 60 I N 0.842 121.427 120.570 0.027 0.000 2.286 60 I HA -0.226 3.944 4.170 -0.000 0.000 0.248 60 I C 2.253 178.399 176.117 0.049 0.000 1.115 60 I CA 1.142 62.468 61.300 0.043 0.000 1.392 60 I CB -0.215 37.819 38.000 0.055 0.000 1.065 60 I HN 0.295 nan 8.210 nan 0.000 0.418 61 L N 0.163 121.411 121.223 0.042 0.000 2.027 61 L HA -0.194 4.145 4.340 -0.000 0.000 0.206 61 L C 2.569 179.465 176.870 0.043 0.000 1.074 61 L CA 1.133 56.002 54.840 0.049 0.000 0.745 61 L CB -0.718 41.364 42.059 0.037 0.000 0.898 61 L HN 0.141 nan 8.230 nan 0.000 0.433 62 K N 0.620 121.038 120.400 0.030 0.000 2.280 62 K HA -0.094 4.226 4.320 -0.000 0.000 0.202 62 K C 1.865 178.483 176.600 0.029 0.000 1.047 62 K CA 1.217 57.519 56.287 0.026 0.000 0.942 62 K CB -0.341 32.169 32.500 0.016 0.000 0.739 62 K HN 0.388 nan 8.250 nan 0.000 0.457 63 G N -0.035 108.786 108.800 0.034 0.000 2.551 63 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.216 63 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.216 63 G C 1.497 176.427 174.900 0.051 0.000 1.137 63 G CA -0.119 45.002 45.100 0.035 0.000 0.798 63 G HN 0.201 nan 8.290 nan 0.000 0.536 64 L N 0.387 121.648 121.223 0.063 0.000 2.395 64 L HA 0.082 4.422 4.340 -0.000 0.000 0.218 64 L C 1.930 178.849 176.870 0.081 0.000 1.130 64 L CA 0.432 55.322 54.840 0.083 0.000 0.826 64 L CB -0.017 42.103 42.059 0.101 0.000 0.941 64 L HN 0.060 nan 8.230 nan 0.000 0.451 65 D N -0.077 120.361 120.400 0.063 0.000 2.162 65 D HA -0.136 4.504 4.640 -0.000 0.000 0.203 65 D C 2.178 178.505 176.300 0.045 0.000 0.967 65 D CA 0.696 54.730 54.000 0.056 0.000 0.840 65 D CB 0.101 40.926 40.800 0.042 0.000 0.972 65 D HN 0.081 nan 8.370 nan 0.000 0.482 66 R N 1.253 121.775 120.500 0.037 0.000 2.081 66 R HA -0.009 4.331 4.340 -0.000 0.000 0.235 66 R C 2.214 178.532 176.300 0.031 0.000 1.131 66 R CA 0.905 57.021 56.100 0.026 0.000 0.960 66 R CB -0.754 29.556 30.300 0.018 0.000 0.856 66 R HN 0.136 nan 8.270 nan 0.000 0.436 67 I N 0.482 121.082 120.570 0.049 0.000 2.226 67 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 67 I C 2.441 178.531 176.117 -0.045 0.000 1.100 67 I CA 1.785 63.120 61.300 0.058 0.000 1.374 67 I CB -0.422 37.622 38.000 0.075 0.000 1.057 67 I HN 0.443 nan 8.210 nan 0.000 0.413 68 E N 1.419 121.625 120.200 0.011 0.000 2.017 68 E HA -0.257 4.093 4.350 -0.000 0.000 0.193 68 E C 2.010 178.585 176.600 -0.041 0.000 0.997 68 E CA 1.554 57.970 56.400 0.027 0.000 0.804 68 E CB -0.010 29.790 29.700 0.167 0.000 0.757 68 E HN 0.464 nan 8.360 nan 0.000 0.448 69 E N 0.416 120.618 120.200 0.004 0.000 2.097 69 E HA -0.251 4.099 4.350 -0.000 0.000 0.196 69 E C 2.160 178.742 176.600 -0.029 0.000 1.000 69 E CA 1.485 57.885 56.400 -0.001 0.000 0.804 69 E CB -0.145 29.561 29.700 0.011 0.000 0.740 69 E HN 0.418 nan 8.360 nan 0.000 0.454 70 E N 0.605 120.788 120.200 -0.029 0.000 2.047 70 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 70 E C 2.230 178.796 176.600 -0.058 0.000 0.987 70 E CA 0.753 57.147 56.400 -0.010 0.000 0.799 70 E CB -0.081 29.656 29.700 0.062 0.000 0.752 70 E HN 0.271 nan 8.360 nan 0.000 0.449 71 I N 1.316 121.743 120.570 -0.238 0.000 2.179 71 I HA -0.265 3.905 4.170 -0.000 0.000 0.242 71 I C 2.059 177.977 176.117 -0.332 0.000 1.088 71 I CA 1.316 62.335 61.300 -0.469 0.000 1.357 71 I CB -0.220 37.107 38.000 -1.123 0.000 1.051 71 I HN 0.107 nan 8.210 nan 0.000 0.409 72 E N 0.559 120.604 120.200 -0.259 0.000 2.347 72 E HA -0.099 4.251 4.350 -0.000 0.000 0.196 72 E C 1.839 178.429 176.600 -0.016 0.000 1.008 72 E CA 0.902 57.259 56.400 -0.071 0.000 0.852 72 E CB -0.003 29.719 29.700 0.036 0.000 0.783 72 E HN 0.489 nan 8.360 nan 0.000 0.505 73 A N -0.060 122.746 122.820 -0.024 0.000 2.303 73 A HA 0.373 4.693 4.320 -0.000 0.000 0.217 73 A C 1.690 179.282 177.584 0.013 0.000 1.205 73 A CA 0.598 52.636 52.037 0.002 0.000 0.875 73 A CB 0.165 19.165 19.000 -0.000 0.000 0.910 73 A HN 0.278 nan 8.150 nan 0.000 0.501 74 G N -0.623 108.189 108.800 0.021 0.000 2.179 74 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 74 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 74 G C 0.990 175.921 174.900 0.050 0.000 0.977 74 G CA 1.417 46.550 45.100 0.055 0.000 0.641 74 G HN 1.316 nan 8.290 nan 0.000 0.533 75 T N -2.284 112.284 114.554 0.023 0.000 3.107 75 T HA 0.479 4.829 4.350 -0.000 0.000 0.249 75 T C 0.827 175.501 174.700 -0.043 0.000 1.096 75 T CA 0.290 62.384 62.100 -0.009 0.000 1.012 75 T CB 0.115 68.969 68.868 -0.024 0.000 0.977 75 T HN 0.775 nan 8.240 nan 0.000 0.527 76 F N 5.063 124.889 119.950 -0.206 0.000 2.456 76 F HA 0.407 4.934 4.527 -0.000 0.000 0.358 76 F C -2.142 173.407 175.800 -0.420 0.000 1.095 76 F CA -2.794 54.980 58.000 -0.376 0.000 1.216 76 F CB 0.987 39.636 39.000 -0.584 0.000 1.125 76 F HN -0.052 nan 8.300 nan 0.000 0.549 77 P HA 0.042 nan 4.420 nan 0.000 0.266 77 P C -1.454 175.493 177.300 -0.589 0.000 1.586 77 P CA -0.113 62.601 63.100 -0.644 0.000 1.088 77 P CB -0.367 30.997 31.700 -0.560 0.000 1.584 78 W N 3.940 125.238 121.300 -0.003 0.000 2.356 78 W HA 0.291 4.951 4.660 -0.000 0.000 0.311 78 W C 0.885 177.406 176.519 0.004 0.000 1.328 78 W CA -0.492 56.920 57.345 0.112 0.000 1.251 78 W CB 0.814 30.351 29.460 0.127 0.000 1.280 78 W HN 0.129 nan 8.180 nan 0.000 0.524 79 R N 2.518 123.144 120.500 0.210 0.000 2.360 79 R HA 0.116 4.456 4.340 -0.000 0.000 0.318 79 R C 0.854 177.217 176.300 0.106 0.000 0.950 79 R CA -0.783 55.377 56.100 0.100 0.000 0.837 79 R CB 1.666 31.976 30.300 0.016 0.000 1.165 79 R HN 0.382 nan 8.270 nan 0.000 0.458 80 E N 2.677 122.924 120.200 0.078 0.000 2.110 80 E HA -0.235 4.115 4.350 -0.000 0.000 0.193 80 E C 1.063 177.684 176.600 0.036 0.000 0.988 80 E CA 1.867 58.296 56.400 0.048 0.000 0.804 80 E CB 0.278 29.999 29.700 0.035 0.000 0.745 80 E HN 0.694 nan 8.360 nan 0.000 0.458 81 E N 0.041 120.261 120.200 0.033 0.000 2.171 81 E HA -0.217 4.133 4.350 -0.000 0.000 0.197 81 E C 1.852 178.466 176.600 0.024 0.000 0.997 81 E CA 1.215 57.630 56.400 0.024 0.000 0.810 81 E CB -0.487 29.223 29.700 0.016 0.000 0.738 81 E HN 0.325 nan 8.360 nan 0.000 0.467 82 L N 0.184 121.425 121.223 0.029 0.000 2.552 82 L HA 0.033 4.373 4.340 -0.000 0.000 0.227 82 L C 1.020 177.907 176.870 0.028 0.000 1.146 82 L CA 0.874 55.731 54.840 0.028 0.000 0.858 82 L CB -0.477 41.604 42.059 0.037 0.000 0.969 82 L HN 0.215 nan 8.230 nan 0.000 0.451 83 E N -0.801 119.412 120.200 0.022 0.000 4.048 83 E HA -0.252 4.098 4.350 -0.000 0.000 0.175 83 E C -0.099 176.480 176.600 -0.036 0.000 1.124 83 E CA 1.577 57.977 56.400 0.001 0.000 2.528 83 E CB -0.923 28.785 29.700 0.014 0.000 1.693 83 E HN 0.683 nan 8.360 nan 0.000 0.505 84 D N 0.243 120.634 120.400 -0.016 0.000 2.654 84 D HA 0.429 5.069 4.640 -0.000 0.000 0.255 84 D C 0.647 176.917 176.300 -0.050 0.000 1.101 84 D CA -0.122 53.834 54.000 -0.075 0.000 1.116 84 D CB 0.932 41.721 40.800 -0.018 0.000 1.348 84 D HN 0.050 nan 8.370 nan 0.000 0.609 85 V N -0.362 119.437 119.914 -0.191 0.000 2.453 85 V HA -0.176 3.944 4.120 -0.000 0.000 0.247 85 V C 1.694 177.752 176.094 -0.059 0.000 1.048 85 V CA 1.764 64.035 62.300 -0.048 0.000 1.049 85 V CB -0.971 30.769 31.823 -0.139 0.000 0.672 85 V HN 0.588 nan 8.190 nan 0.000 0.457 86 H N 0.008 119.119 119.070 0.069 0.000 2.265 86 H HA -0.218 4.338 4.556 0.000 0.000 0.295 86 H C 2.565 177.886 175.328 -0.011 0.000 1.084 86 H CA 2.986 59.043 56.048 0.014 0.000 1.261 86 H CB -0.494 29.242 29.762 -0.044 0.000 1.360 86 H HN 0.476 nan 8.280 nan 0.000 0.487 87 M N 0.979 120.634 119.600 0.091 0.000 2.117 87 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 87 M C 2.130 178.461 176.300 0.053 0.000 1.065 87 M CA 2.192 57.509 55.300 0.028 0.000 1.114 87 M CB -1.110 31.500 32.600 0.017 0.000 1.361 87 M HN 0.336 nan 8.290 nan 0.000 0.408 88 N N 0.601 119.363 118.700 0.103 0.000 2.018 88 N HA -0.150 4.590 4.740 -0.000 0.000 0.196 88 N C 1.725 177.333 175.510 0.163 0.000 1.043 88 N CA 1.994 55.132 53.050 0.147 0.000 0.856 88 N CB -0.337 38.336 38.487 0.309 0.000 1.042 88 N HN 0.489 nan 8.380 nan 0.000 0.423 89 L N 1.984 123.310 121.223 0.171 0.000 2.012 89 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 89 L C 2.378 179.309 176.870 0.103 0.000 1.073 89 L CA 1.509 56.442 54.840 0.155 0.000 0.748 89 L CB -0.848 41.272 42.059 0.101 0.000 0.891 89 L HN 0.236 nan 8.230 nan 0.000 0.431 90 E N -0.944 119.295 120.200 0.064 0.000 2.049 90 E HA -0.298 4.052 4.350 -0.000 0.000 0.198 90 E C 2.232 178.839 176.600 0.012 0.000 1.007 90 E CA 1.344 57.762 56.400 0.029 0.000 0.809 90 E CB -0.196 29.495 29.700 -0.015 0.000 0.749 90 E HN 0.503 nan 8.360 nan 0.000 0.450 91 A N 0.924 123.742 122.820 -0.003 0.000 1.948 91 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 91 A C 2.104 179.653 177.584 -0.059 0.000 1.177 91 A CA 2.005 54.022 52.037 -0.033 0.000 0.636 91 A CB -0.519 18.453 19.000 -0.046 0.000 0.815 91 A HN 0.073 nan 8.150 nan 0.000 0.449 92 R N -0.807 119.652 120.500 -0.067 0.000 2.115 92 R HA 0.017 4.357 4.340 -0.000 0.000 0.226 92 R C 1.821 178.099 176.300 -0.036 0.000 1.100 92 R CA 1.207 57.242 56.100 -0.108 0.000 0.980 92 R CB -0.814 29.401 30.300 -0.141 0.000 0.875 92 R HN 0.439 nan 8.270 nan 0.000 0.445 93 L N -0.031 121.197 121.223 0.009 0.000 1.976 93 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 93 L C 1.789 178.662 176.870 0.006 0.000 1.071 93 L CA 2.287 57.140 54.840 0.022 0.000 0.746 93 L CB -1.138 40.947 42.059 0.043 0.000 0.890 93 L HN 0.202 nan 8.230 nan 0.000 0.432 94 T N -0.452 114.103 114.554 0.002 0.000 2.737 94 T HA -0.208 4.142 4.350 -0.000 0.000 0.269 94 T C 1.721 176.412 174.700 -0.016 0.000 1.040 94 T CA 1.737 63.836 62.100 -0.002 0.000 1.142 94 T CB -0.246 68.621 68.868 -0.002 0.000 0.861 94 T HN 0.455 nan 8.240 nan 0.000 0.456 95 E N 0.383 120.563 120.200 -0.034 0.000 2.106 95 E HA -0.038 4.312 4.350 -0.000 0.000 0.192 95 E C 2.138 178.712 176.600 -0.043 0.000 0.984 95 E CA 0.844 57.215 56.400 -0.049 0.000 0.806 95 E CB -0.149 29.500 29.700 -0.084 0.000 0.750 95 E HN 0.462 nan 8.360 nan 0.000 0.458 96 L N -0.274 120.927 121.223 -0.036 0.000 2.202 96 L HA -0.024 4.316 4.340 -0.000 0.000 0.205 96 L C 2.314 179.176 176.870 -0.012 0.000 1.083 96 L CA 0.351 55.175 54.840 -0.027 0.000 0.790 96 L CB 0.092 42.138 42.059 -0.021 0.000 0.942 96 L HN 0.002 nan 8.230 nan 0.000 0.452 97 V N -1.156 118.756 119.914 -0.003 0.000 3.523 97 V HA 0.429 4.549 4.120 -0.000 0.000 0.255 97 V C 1.042 177.138 176.094 0.004 0.000 1.226 97 V CA 0.835 63.138 62.300 0.004 0.000 1.092 97 V CB 0.422 32.253 31.823 0.013 0.000 0.817 97 V HN 0.608 nan 8.190 nan 0.000 0.458 98 G N 0.603 109.404 108.800 0.002 0.000 2.464 98 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.216 98 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.216 98 G C -1.497 173.409 174.900 0.010 0.000 1.186 98 G CA 0.057 45.159 45.100 0.003 0.000 1.010 98 G HN 0.195 nan 8.290 nan 0.000 0.585 99 P HA -0.040 nan 4.420 nan 0.000 0.216 99 P C -1.173 176.142 177.300 0.026 0.000 1.153 99 P CA 2.819 65.930 63.100 0.019 0.000 0.858 99 P CB -0.949 30.762 31.700 0.018 0.000 0.789 100 P HA -0.138 nan 4.420 nan 0.000 0.217 100 P C 1.915 179.239 177.300 0.040 0.000 1.148 100 P CA 2.133 65.252 63.100 0.033 0.000 0.828 100 P CB -0.962 30.755 31.700 0.028 0.000 0.783 101 G N 0.005 108.826 108.800 0.035 0.000 2.476 101 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.218 101 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.218 101 G C 1.637 176.567 174.900 0.050 0.000 1.164 101 G CA 0.944 46.068 45.100 0.040 0.000 0.768 101 G HN 0.416 nan 8.290 nan 0.000 0.560 102 G N -0.342 108.484 108.800 0.044 0.000 2.916 102 G HA2 0.107 4.067 3.960 -0.000 0.000 0.205 102 G HA3 0.107 4.067 3.960 -0.000 0.000 0.205 102 G C 1.321 176.261 174.900 0.067 0.000 1.163 102 G CA 0.438 45.569 45.100 0.052 0.000 0.821 102 G HN 0.512 nan 8.290 nan 0.000 0.515 103 K N -0.553 119.888 120.400 0.069 0.000 2.402 103 K HA 0.329 4.649 4.320 -0.000 0.000 0.204 103 K C 1.771 178.423 176.600 0.086 0.000 1.056 103 K CA -0.447 55.880 56.287 0.067 0.000 1.069 103 K CB 0.293 32.824 32.500 0.053 0.000 0.888 103 K HN 0.199 nan 8.250 nan 0.000 0.546 104 L N 0.899 122.190 121.223 0.114 0.000 2.083 104 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 104 L C 1.602 178.617 176.870 0.242 0.000 1.083 104 L CA 1.730 56.670 54.840 0.166 0.000 0.752 104 L CB -0.070 42.078 42.059 0.148 0.000 0.899 104 L HN 0.325 nan 8.230 nan 0.000 0.433 105 H N 0.025 119.128 119.070 0.054 0.000 2.555 105 H HA 0.111 4.667 4.556 0.000 0.000 0.283 105 H C 0.038 175.355 175.328 -0.018 0.000 1.037 105 H CA -0.125 55.922 56.048 -0.003 0.000 1.169 105 H CB -0.481 29.265 29.762 -0.026 0.000 1.375 105 H HN 0.136 nan 8.280 nan 0.000 0.582 106 T N 1.096 115.643 114.554 -0.012 0.000 2.940 106 T HA 0.271 4.621 4.350 -0.000 0.000 0.309 106 T C 0.783 175.253 174.700 -0.382 0.000 1.056 106 T CA 0.407 62.379 62.100 -0.214 0.000 1.137 106 T CB 0.377 69.127 68.868 -0.197 0.000 0.976 106 T HN 0.535 nan 8.240 nan 0.000 0.547 107 A N 2.466 124.826 122.820 -0.766 0.000 2.560 107 A HA -0.173 4.147 4.320 -0.000 0.000 0.299 107 A C 0.524 177.924 177.584 -0.308 0.000 1.484 107 A CA 1.449 53.047 52.037 -0.731 0.000 0.749 107 A CB -1.458 16.950 19.000 -0.986 0.000 1.072 107 A HN 0.851 nan 8.150 nan 0.000 0.426 108 R N -0.935 119.318 120.500 -0.412 0.000 2.664 108 R HA 0.629 4.969 4.340 -0.000 0.000 0.266 108 R C -0.601 175.351 176.300 -0.579 0.000 1.046 108 R CA 0.324 56.141 56.100 -0.472 0.000 0.885 108 R CB 1.328 31.241 30.300 -0.644 0.000 1.254 108 R HN 0.971 nan 8.270 nan 0.000 0.465 109 S N 0.469 115.979 115.700 -0.317 0.000 2.648 109 S HA 0.448 4.918 4.470 -0.000 0.000 0.305 109 S C 0.467 175.016 174.600 -0.085 0.000 1.094 109 S CA -0.751 57.349 58.200 -0.166 0.000 0.983 109 S CB 1.618 64.737 63.200 -0.135 0.000 1.101 109 S HN 0.647 nan 8.310 nan 0.000 0.514 110 R N 1.753 122.205 120.500 -0.079 0.000 2.189 110 R HA 0.056 4.396 4.340 -0.000 0.000 0.218 110 R C 1.285 177.401 176.300 -0.306 0.000 1.074 110 R CA 0.812 56.774 56.100 -0.231 0.000 0.991 110 R CB -1.168 28.992 30.300 -0.232 0.000 0.883 110 R HN 0.594 nan 8.270 nan 0.000 0.457 111 N N 1.512 120.042 118.700 -0.284 0.000 2.080 111 N HA -0.151 4.589 4.740 -0.000 0.000 0.189 111 N C 1.214 176.648 175.510 -0.125 0.000 1.036 111 N CA 1.743 54.643 53.050 -0.250 0.000 0.846 111 N CB -0.440 37.921 38.487 -0.209 0.000 1.015 111 N HN 0.373 nan 8.380 nan 0.000 0.423 112 D N 0.289 120.612 120.400 -0.129 0.000 2.277 112 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 112 D C 1.671 177.889 176.300 -0.136 0.000 0.962 112 D CA 0.633 54.563 54.000 -0.116 0.000 0.865 112 D CB -0.424 40.303 40.800 -0.122 0.000 0.939 112 D HN 0.372 nan 8.370 nan 0.000 0.510 113 Q N 0.342 120.034 119.800 -0.180 0.000 2.049 113 Q HA -0.066 4.274 4.340 -0.000 0.000 0.198 113 Q C 2.181 178.084 176.000 -0.163 0.000 0.971 113 Q CA 0.825 56.506 55.803 -0.204 0.000 0.833 113 Q CB 0.085 28.647 28.738 -0.293 0.000 0.896 113 Q HN 0.164 nan 8.270 nan 0.000 0.434 114 V N 0.650 120.440 119.914 -0.207 0.000 2.427 114 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 114 V C 2.119 178.275 176.094 0.104 0.000 1.051 114 V CA 1.789 64.099 62.300 0.016 0.000 1.048 114 V CB -0.476 31.393 31.823 0.077 0.000 0.666 114 V HN 0.504 nan 8.190 nan 0.000 0.456 115 A N -0.636 122.220 122.820 0.061 0.000 1.902 115 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 115 A C 2.336 179.933 177.584 0.021 0.000 1.181 115 A CA 2.644 54.733 52.037 0.086 0.000 0.623 115 A CB -1.134 17.891 19.000 0.041 0.000 0.818 115 A HN 0.546 nan 8.150 nan 0.000 0.443 116 T N 0.179 114.722 114.554 -0.018 0.000 2.643 116 T HA -0.151 4.199 4.350 -0.000 0.000 0.264 116 T C 1.622 176.380 174.700 0.098 0.000 1.045 116 T CA 1.493 63.591 62.100 -0.003 0.000 1.155 116 T CB -0.521 68.322 68.868 -0.041 0.000 0.863 116 T HN 0.441 nan 8.240 nan 0.000 0.420 117 D N 1.041 121.511 120.400 0.116 0.000 2.149 117 D HA -0.123 4.517 4.640 -0.000 0.000 0.194 117 D C 2.428 178.845 176.300 0.195 0.000 1.001 117 D CA 1.545 55.645 54.000 0.166 0.000 0.849 117 D CB -0.657 40.276 40.800 0.220 0.000 0.939 117 D HN 0.388 nan 8.370 nan 0.000 0.449 118 L N 0.684 122.029 121.223 0.204 0.000 2.046 118 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 118 L C 2.624 179.656 176.870 0.269 0.000 1.077 118 L CA 1.917 56.920 54.840 0.272 0.000 0.747 118 L CB -1.433 40.846 42.059 0.366 0.000 0.896 118 L HN 0.019 nan 8.230 nan 0.000 0.432 119 R N -0.686 119.878 120.500 0.107 0.000 2.075 119 R HA -0.072 4.268 4.340 -0.000 0.000 0.232 119 R C 2.295 178.649 176.300 0.091 0.000 1.126 119 R CA 1.133 57.237 56.100 0.007 0.000 0.963 119 R CB -0.441 29.803 30.300 -0.093 0.000 0.858 119 R HN 0.508 nan 8.270 nan 0.000 0.435 120 L N -0.335 120.956 121.223 0.114 0.000 2.017 120 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 120 L C 2.161 179.091 176.870 0.100 0.000 1.073 120 L CA 1.702 56.565 54.840 0.039 0.000 0.745 120 L CB -1.387 40.710 42.059 0.064 0.000 0.894 120 L HN 0.157 nan 8.230 nan 0.000 0.432 121 Y N 0.358 120.692 120.300 0.057 0.000 2.070 121 Y HA -0.275 4.275 4.550 -0.000 0.000 0.280 121 Y C 2.606 178.539 175.900 0.055 0.000 1.148 121 Y CA 1.676 59.807 58.100 0.052 0.000 1.125 121 Y CB -0.370 38.131 38.460 0.069 0.000 0.975 121 Y HN 0.033 nan 8.280 nan 0.000 0.492 122 L N -0.240 121.109 121.223 0.210 0.000 2.013 122 L HA -0.320 4.020 4.340 -0.000 0.000 0.212 122 L C 2.712 179.593 176.870 0.019 0.000 1.073 122 L CA 1.932 56.853 54.840 0.135 0.000 0.753 122 L CB -0.698 41.506 42.059 0.243 0.000 0.890 122 L HN 0.204 nan 8.230 nan 0.000 0.432 123 R N 0.189 120.693 120.500 0.008 0.000 2.094 123 R HA -0.183 4.157 4.340 -0.000 0.000 0.239 123 R C 2.290 178.550 176.300 -0.066 0.000 1.137 123 R CA 1.834 57.916 56.100 -0.030 0.000 0.943 123 R CB -0.621 29.638 30.300 -0.069 0.000 0.850 123 R HN 0.429 nan 8.270 nan 0.000 0.433 124 G N -0.490 108.245 108.800 -0.109 0.000 2.432 124 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.219 124 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.219 124 G C 1.450 176.244 174.900 -0.177 0.000 1.135 124 G CA 0.772 45.783 45.100 -0.149 0.000 0.767 124 G HN 0.509 nan 8.290 nan 0.000 0.550 125 A N 1.072 123.758 122.820 -0.224 0.000 1.858 125 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 125 A C 2.382 179.931 177.584 -0.057 0.000 1.190 125 A CA 1.320 53.251 52.037 -0.176 0.000 0.617 125 A CB -0.415 18.489 19.000 -0.159 0.000 0.827 125 A HN 0.347 nan 8.150 nan 0.000 0.443 126 I N -0.015 120.544 120.570 -0.018 0.000 2.264 126 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 126 I C 1.791 177.908 176.117 -0.001 0.000 1.111 126 I CA 1.485 62.796 61.300 0.017 0.000 1.382 126 I CB -0.566 37.453 38.000 0.031 0.000 1.060 126 I HN 0.280 nan 8.210 nan 0.000 0.418 127 D N 0.595 120.979 120.400 -0.027 0.000 2.144 127 D HA -0.209 4.431 4.640 -0.000 0.000 0.199 127 D C 2.053 178.331 176.300 -0.036 0.000 0.984 127 D CA 1.130 55.111 54.000 -0.032 0.000 0.834 127 D CB -0.138 40.634 40.800 -0.047 0.000 0.955 127 D HN 0.435 nan 8.370 nan 0.000 0.465 128 E N -0.022 120.148 120.200 -0.050 0.000 2.072 128 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 128 E C 2.039 178.617 176.600 -0.037 0.000 0.985 128 E CA 0.395 56.764 56.400 -0.051 0.000 0.801 128 E CB 0.095 29.755 29.700 -0.067 0.000 0.750 128 E HN 0.060 nan 8.360 nan 0.000 0.452 129 L N 0.827 122.041 121.223 -0.016 0.000 2.083 129 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 129 L C 2.318 179.183 176.870 -0.007 0.000 1.083 129 L CA 1.223 56.061 54.840 -0.003 0.000 0.752 129 L CB -0.639 41.474 42.059 0.089 0.000 0.899 129 L HN 0.211 nan 8.230 nan 0.000 0.433 130 L N -1.275 119.951 121.223 0.005 0.000 2.046 130 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 130 L C 2.615 179.477 176.870 -0.013 0.000 1.077 130 L CA 1.259 56.102 54.840 0.004 0.000 0.747 130 L CB -0.737 41.325 42.059 0.005 0.000 0.896 130 L HN 0.260 nan 8.230 nan 0.000 0.432 131 A N -0.412 122.395 122.820 -0.021 0.000 1.933 131 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 131 A C 2.091 179.655 177.584 -0.033 0.000 1.175 131 A CA 1.419 53.442 52.037 -0.025 0.000 0.628 131 A CB -0.477 18.506 19.000 -0.029 0.000 0.814 131 A HN 0.264 nan 8.150 nan 0.000 0.444 132 L N -0.574 120.618 121.223 -0.052 0.000 2.156 132 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 132 L C 2.404 179.227 176.870 -0.079 0.000 1.095 132 L CA 1.135 55.929 54.840 -0.076 0.000 0.770 132 L CB -1.026 40.964 42.059 -0.116 0.000 0.914 132 L HN 0.352 nan 8.230 nan 0.000 0.439 133 L N -1.311 119.871 121.223 -0.068 0.000 2.056 133 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 133 L C 2.384 179.246 176.870 -0.015 0.000 1.078 133 L CA 0.760 55.572 54.840 -0.046 0.000 0.749 133 L CB -0.394 41.658 42.059 -0.013 0.000 0.901 133 L HN 0.253 nan 8.230 nan 0.000 0.433 134 L N -0.088 121.131 121.223 -0.007 0.000 2.201 134 L HA -0.158 4.182 4.340 -0.000 0.000 0.212 134 L C 2.512 179.392 176.870 0.016 0.000 1.105 134 L CA 1.753 56.601 54.840 0.015 0.000 0.775 134 L CB -0.526 41.539 42.059 0.010 0.000 0.913 134 L HN 0.231 nan 8.230 nan 0.000 0.440 135 A N -0.243 122.574 122.820 -0.005 0.000 1.930 135 A HA -0.138 4.182 4.320 -0.000 0.000 0.215 135 A C 2.257 179.837 177.584 -0.006 0.000 1.176 135 A CA 1.013 53.045 52.037 -0.008 0.000 0.632 135 A CB -0.466 18.520 19.000 -0.022 0.000 0.819 135 A HN 0.464 nan 8.150 nan 0.000 0.445 136 L N -0.870 120.345 121.223 -0.014 0.000 2.044 136 L HA -0.128 4.212 4.340 -0.000 0.000 0.205 136 L C 2.787 179.679 176.870 0.036 0.000 1.075 136 L CA 1.301 56.136 54.840 -0.009 0.000 0.747 136 L CB -0.309 41.729 42.059 -0.034 0.000 0.903 136 L HN 0.355 nan 8.230 nan 0.000 0.435 137 R N -0.681 119.860 120.500 0.070 0.000 2.127 137 R HA -0.214 4.126 4.340 -0.000 0.000 0.238 137 R C 2.346 178.741 176.300 0.157 0.000 1.134 137 R CA 1.425 57.635 56.100 0.183 0.000 0.975 137 R CB -0.266 30.157 30.300 0.204 0.000 0.865 137 R HN 0.311 nan 8.270 nan 0.000 0.447 138 R N 0.538 121.086 120.500 0.080 0.000 2.081 138 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 138 R C 2.296 178.590 176.300 -0.011 0.000 1.131 138 R CA 1.713 57.832 56.100 0.032 0.000 0.960 138 R CB -0.187 30.124 30.300 0.018 0.000 0.856 138 R HN 0.265 nan 8.270 nan 0.000 0.436 139 V N -0.817 119.089 119.914 -0.014 0.000 2.548 139 V HA -0.091 4.029 4.120 -0.000 0.000 0.249 139 V C 1.947 177.977 176.094 -0.106 0.000 1.055 139 V CA 1.351 63.622 62.300 -0.050 0.000 1.065 139 V CB -0.404 31.399 31.823 -0.033 0.000 0.681 139 V HN 0.267 nan 8.190 nan 0.000 0.462 140 L N -0.018 121.174 121.223 -0.053 0.000 2.042 140 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 140 L C 2.717 179.475 176.870 -0.186 0.000 1.076 140 L CA 1.763 56.556 54.840 -0.078 0.000 0.749 140 L CB -0.576 41.564 42.059 0.135 0.000 0.893 140 L HN 0.273 nan 8.230 nan 0.000 0.432 141 V N -0.461 119.373 119.914 -0.133 0.000 2.358 141 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 141 V C 2.618 178.609 176.094 -0.172 0.000 1.047 141 V CA 1.591 63.777 62.300 -0.190 0.000 1.035 141 V CB -0.550 31.143 31.823 -0.216 0.000 0.658 141 V HN 0.396 nan 8.190 nan 0.000 0.452 142 R N -0.307 120.103 120.500 -0.151 0.000 2.073 142 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 142 R C 2.349 178.544 176.300 -0.175 0.000 1.134 142 R CA 1.428 57.451 56.100 -0.129 0.000 0.952 142 R CB -0.333 29.912 30.300 -0.092 0.000 0.850 142 R HN 0.487 nan 8.270 nan 0.000 0.433 143 E N 0.635 120.645 120.200 -0.318 0.000 2.077 143 E HA -0.154 4.196 4.350 -0.000 0.000 0.193 143 E C 2.003 178.383 176.600 -0.366 0.000 0.989 143 E CA 1.287 57.403 56.400 -0.474 0.000 0.800 143 E CB -0.291 28.682 29.700 -1.212 0.000 0.746 143 E HN 0.321 nan 8.360 nan 0.000 0.452 144 A N 1.427 124.022 122.820 -0.374 0.000 1.873 144 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 144 A C 2.187 179.779 177.584 0.012 0.000 1.193 144 A CA 2.030 54.041 52.037 -0.043 0.000 0.629 144 A CB -0.627 18.368 19.000 -0.008 0.000 0.826 144 A HN 0.337 nan 8.150 nan 0.000 0.447 145 E N -0.300 119.873 120.200 -0.046 0.000 2.005 145 E HA -0.283 4.067 4.350 -0.000 0.000 0.198 145 E C 2.116 178.701 176.600 -0.025 0.000 1.010 145 E CA 1.716 58.099 56.400 -0.030 0.000 0.825 145 E CB -0.225 29.444 29.700 -0.052 0.000 0.769 145 E HN 0.563 nan 8.360 nan 0.000 0.456 146 K N -0.272 120.086 120.400 -0.071 0.000 2.097 146 K HA -0.262 4.058 4.320 -0.000 0.000 0.214 146 K C 1.470 177.922 176.600 -0.246 0.000 1.052 146 K CA 2.259 58.446 56.287 -0.166 0.000 0.932 146 K CB -0.348 32.010 32.500 -0.237 0.000 0.716 146 K HN 0.327 nan 8.250 nan 0.000 0.455 147 H N -0.288 118.740 119.070 -0.069 0.000 2.555 147 H HA 0.144 4.700 4.556 -0.000 0.000 0.283 147 H C 1.144 176.584 175.328 0.187 0.000 1.037 147 H CA 0.123 56.149 56.048 -0.036 0.000 1.169 147 H CB 0.295 29.863 29.762 -0.322 0.000 1.375 147 H HN 0.167 nan 8.280 nan 0.000 0.582 148 L N -0.738 120.586 121.223 0.167 0.000 2.388 148 L HA 0.012 4.352 4.340 -0.000 0.000 0.209 148 L C 1.892 178.834 176.870 0.121 0.000 1.061 148 L CA 0.475 55.399 54.840 0.141 0.000 0.834 148 L CB 0.176 42.281 42.059 0.077 0.000 1.029 148 L HN 0.275 nan 8.230 nan 0.000 0.473 149 D N 1.101 121.556 120.400 0.091 0.000 2.286 149 D HA -0.230 4.410 4.640 -0.000 0.000 0.197 149 D C -0.677 175.664 176.300 0.070 0.000 1.015 149 D CA 2.311 56.349 54.000 0.064 0.000 0.871 149 D CB -0.846 39.977 40.800 0.039 0.000 1.044 149 D HN 0.180 nan 8.370 nan 0.000 0.459 150 P HA 0.077 nan 4.420 nan 0.000 0.231 150 P C -0.093 177.208 177.300 0.002 0.000 1.168 150 P CA 0.140 63.248 63.100 0.013 0.000 0.779 150 P CB 0.280 31.968 31.700 -0.021 0.000 0.844 151 L N -0.809 120.479 121.223 0.108 0.000 1.990 151 L HA -0.147 4.193 4.340 -0.000 0.000 0.618 151 L C -1.482 175.465 176.870 0.129 0.000 1.001 151 L CA 0.059 54.993 54.840 0.157 0.000 1.310 151 L CB -1.786 40.355 42.059 0.137 0.000 2.076 151 L HN 0.014 nan 8.230 nan 0.000 1.017 152 Y N 3.827 124.207 120.300 0.133 0.000 2.320 152 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 152 Y C 0.671 176.551 175.900 -0.034 0.000 1.055 152 Y CA -0.571 57.590 58.100 0.101 0.000 1.143 152 Y CB 1.790 40.285 38.460 0.059 0.000 1.193 152 Y HN 0.281 nan 8.280 nan 0.000 0.477 153 V N 5.525 125.432 119.914 -0.012 0.000 2.638 153 V HA 0.544 4.664 4.120 -0.000 0.000 0.306 153 V C -1.008 174.866 176.094 -0.368 0.000 1.052 153 V CA -0.758 61.367 62.300 -0.292 0.000 0.885 153 V CB 1.708 33.112 31.823 -0.699 0.000 0.999 153 V HN 0.574 nan 8.190 nan 0.000 0.424 154 L N 3.995 124.972 121.223 -0.410 0.000 2.359 154 L HA 0.908 5.248 4.340 -0.000 0.000 0.256 154 L C -2.897 173.711 176.870 -0.436 0.000 1.026 154 L CA -2.292 52.218 54.840 -0.550 0.000 0.828 154 L CB 1.616 43.230 42.059 -0.743 0.000 1.406 154 L HN 0.344 nan 8.230 nan 0.000 0.413 155 P HA 0.241 nan 4.420 nan 0.000 0.275 155 P C -0.203 176.830 177.300 -0.446 0.000 1.227 155 P CA 0.145 62.979 63.100 -0.443 0.000 0.781 155 P CB 0.965 32.358 31.700 -0.510 0.000 0.906 156 G N 2.108 110.731 108.800 -0.295 0.000 2.444 156 G HA2 0.420 4.380 3.960 -0.000 0.000 0.268 156 G HA3 0.420 4.380 3.960 -0.000 0.000 0.268 156 G C -1.215 173.565 174.900 -0.201 0.000 1.203 156 G CA -0.253 44.791 45.100 -0.094 0.000 0.835 156 G HN 0.369 nan 8.290 nan 0.000 0.543 157 Y N -0.691 119.699 120.300 0.150 0.000 2.602 157 Y HA 0.682 5.232 4.550 0.000 0.000 0.330 157 Y C 0.655 176.615 175.900 0.099 0.000 1.114 157 Y CA -0.534 57.658 58.100 0.153 0.000 1.182 157 Y CB 2.927 41.525 38.460 0.229 0.000 1.305 157 Y HN 0.467 nan 8.280 nan 0.000 0.502 158 T N 1.935 116.653 114.554 0.273 0.000 3.798 158 T HA 0.228 4.578 4.350 -0.000 0.000 0.339 158 T C -1.023 173.778 174.700 0.169 0.000 0.967 158 T CA -0.677 61.481 62.100 0.098 0.000 1.046 158 T CB -0.093 68.832 68.868 0.094 0.000 1.092 158 T HN 0.855 nan 8.240 nan 0.000 0.465 159 H N 2.100 121.260 119.070 0.149 0.000 3.109 159 H HA -0.132 4.424 4.556 -0.000 0.000 0.245 159 H C 0.768 176.189 175.328 0.155 0.000 1.187 159 H CA 0.817 56.940 56.048 0.124 0.000 1.136 159 H CB -0.974 28.850 29.762 0.104 0.000 1.243 159 H HN 0.690 nan 8.280 nan 0.000 0.328 160 L N -0.896 120.495 121.223 0.279 0.000 4.089 160 L HA -0.238 4.102 4.340 -0.000 0.000 0.408 160 L C -0.061 177.077 176.870 0.447 0.000 1.184 160 L CA 1.457 56.466 54.840 0.283 0.000 0.947 160 L CB -0.533 41.621 42.059 0.158 0.000 2.066 160 L HN 0.408 nan 8.230 nan 0.000 0.851 161 Q N 0.622 120.703 119.800 0.468 0.000 2.309 161 Q HA 0.451 4.791 4.340 -0.000 0.000 0.264 161 Q C 0.041 176.199 176.000 0.263 0.000 1.008 161 Q CA -0.857 55.157 55.803 0.351 0.000 0.853 161 Q CB 1.700 30.581 28.738 0.238 0.000 1.314 161 Q HN 0.136 nan 8.270 nan 0.000 0.448 162 R N 1.052 121.607 120.500 0.092 0.000 2.488 162 R HA 0.051 4.391 4.340 -0.000 0.000 0.317 162 R C 0.240 176.496 176.300 -0.073 0.000 0.941 162 R CA 0.313 56.320 56.100 -0.156 0.000 1.076 162 R CB -0.055 30.184 30.300 -0.102 0.000 0.917 162 R HN 0.725 nan 8.270 nan 0.000 0.407 163 A N 4.335 127.083 122.820 -0.119 0.000 2.686 163 A HA 0.114 4.434 4.320 -0.000 0.000 0.221 163 A C -0.059 177.492 177.584 -0.055 0.000 2.249 163 A CA 0.200 52.219 52.037 -0.030 0.000 1.005 163 A CB 0.342 19.346 19.000 0.008 0.000 1.391 163 A HN 0.655 nan 8.150 nan 0.000 0.536 164 Q N 0.085 119.843 119.800 -0.070 0.000 2.356 164 Q HA 0.474 4.814 4.340 -0.000 0.000 0.270 164 Q C -2.771 173.154 176.000 -0.125 0.000 1.058 164 Q CA -2.341 53.417 55.803 -0.075 0.000 0.802 164 Q CB 1.660 30.377 28.738 -0.035 0.000 1.303 164 Q HN 0.188 nan 8.270 nan 0.000 0.444 165 P HA -0.047 nan 4.420 nan 0.000 0.264 165 P C -1.039 176.151 177.300 -0.184 0.000 1.179 165 P CA 0.174 63.134 63.100 -0.234 0.000 0.763 165 P CB 0.556 32.081 31.700 -0.290 0.000 0.806 166 V N 4.252 124.056 119.914 -0.183 0.000 3.078 166 V HA 0.354 4.474 4.120 -0.000 0.000 0.311 166 V C -0.803 175.231 176.094 -0.100 0.000 1.138 166 V CA -1.074 61.176 62.300 -0.083 0.000 1.007 166 V CB 2.375 34.219 31.823 0.035 0.000 1.045 166 V HN 0.222 nan 8.190 nan 0.000 0.432 167 L N 3.834 125.041 121.223 -0.027 0.000 2.319 167 L HA 0.323 4.663 4.340 -0.000 0.000 0.280 167 L C 1.108 178.013 176.870 0.059 0.000 1.099 167 L CA 0.672 55.506 54.840 -0.010 0.000 0.828 167 L CB 1.042 43.098 42.059 -0.006 0.000 1.150 167 L HN 0.707 nan 8.230 nan 0.000 0.442 168 L N 3.587 124.792 121.223 -0.030 0.000 2.013 168 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 168 L C 2.203 179.138 176.870 0.108 0.000 1.073 168 L CA 1.839 56.592 54.840 -0.145 0.000 0.753 168 L CB -0.076 41.769 42.059 -0.357 0.000 0.890 168 L HN 0.947 nan 8.230 nan 0.000 0.432 169 A N -1.310 121.626 122.820 0.194 0.000 1.917 169 A HA -0.330 3.990 4.320 -0.000 0.000 0.219 169 A C 2.159 179.913 177.584 0.283 0.000 1.182 169 A CA 1.982 54.185 52.037 0.277 0.000 0.633 169 A CB -1.143 17.959 19.000 0.169 0.000 0.819 169 A HN 0.666 nan 8.150 nan 0.000 0.448 170 H N -2.878 116.250 119.070 0.097 0.000 2.319 170 H HA -0.252 4.303 4.556 -0.000 0.000 0.299 170 H C 2.042 177.433 175.328 0.106 0.000 1.092 170 H CA 1.894 57.979 56.048 0.063 0.000 1.302 170 H CB -0.228 29.546 29.762 0.019 0.000 1.373 170 H HN 0.734 nan 8.280 nan 0.000 0.497 171 W N 1.083 122.351 121.300 -0.054 0.000 2.317 171 W HA -0.281 4.379 4.660 -0.000 0.000 0.318 171 W C 2.047 178.537 176.519 -0.049 0.000 1.227 171 W CA 2.239 59.502 57.345 -0.135 0.000 1.269 171 W CB -0.957 28.372 29.460 -0.219 0.000 1.155 171 W HN 0.134 nan 8.180 nan 0.000 0.484 172 F N -0.019 120.035 119.950 0.174 0.000 2.202 172 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 172 F C 2.270 178.061 175.800 -0.014 0.000 1.082 172 F CA 1.310 59.338 58.000 0.045 0.000 1.313 172 F CB -0.731 38.323 39.000 0.090 0.000 1.024 172 F HN -0.169 nan 8.300 nan 0.000 0.495 173 L N -0.848 120.461 121.223 0.143 0.000 2.376 173 L HA -0.121 4.219 4.340 -0.000 0.000 0.219 173 L C 2.581 179.441 176.870 -0.018 0.000 1.133 173 L CA 0.626 55.515 54.840 0.082 0.000 0.816 173 L CB -0.820 41.266 42.059 0.045 0.000 0.933 173 L HN 0.143 nan 8.230 nan 0.000 0.449 174 A N -0.404 122.278 122.820 -0.229 0.000 1.873 174 A HA -0.217 4.103 4.320 -0.000 0.000 0.215 174 A C 1.936 179.264 177.584 -0.428 0.000 1.186 174 A CA 1.279 53.074 52.037 -0.404 0.000 0.616 174 A CB -0.704 17.922 19.000 -0.623 0.000 0.823 174 A HN 0.329 nan 8.150 nan 0.000 0.442 175 Y N -1.958 118.158 120.300 -0.307 0.000 2.352 175 Y HA -0.177 4.374 4.550 0.000 0.000 0.292 175 Y C 2.219 178.030 175.900 -0.148 0.000 1.136 175 Y CA 1.323 59.250 58.100 -0.288 0.000 1.227 175 Y CB -0.627 37.631 38.460 -0.336 0.000 0.991 175 Y HN 0.562 nan 8.280 nan 0.000 0.545 176 Y N 0.992 121.275 120.300 -0.028 0.000 2.200 176 Y HA -0.166 4.384 4.550 -0.000 0.000 0.290 176 Y C 2.099 177.968 175.900 -0.052 0.000 1.137 176 Y CA 1.489 59.579 58.100 -0.018 0.000 1.163 176 Y CB -0.097 38.360 38.460 -0.006 0.000 0.988 176 Y HN -0.027 nan 8.280 nan 0.000 0.518 177 E N 0.100 120.218 120.200 -0.137 0.000 2.106 177 E HA -0.186 4.164 4.350 -0.000 0.000 0.192 177 E C 2.239 178.699 176.600 -0.234 0.000 0.984 177 E CA 1.419 57.697 56.400 -0.202 0.000 0.806 177 E CB -0.343 29.292 29.700 -0.108 0.000 0.750 177 E HN 0.607 nan 8.360 nan 0.000 0.458 178 M N 0.004 119.437 119.600 -0.279 0.000 2.066 178 M HA -0.185 4.295 4.480 -0.000 0.000 0.259 178 M C 2.204 178.423 176.300 -0.136 0.000 1.074 178 M CA 1.245 56.322 55.300 -0.371 0.000 1.114 178 M CB -0.390 31.725 32.600 -0.809 0.000 1.306 178 M HN 0.072 nan 8.290 nan 0.000 0.411 179 L N 0.409 121.572 121.223 -0.099 0.000 2.127 179 L HA -0.198 4.142 4.340 -0.000 0.000 0.211 179 L C 2.315 179.145 176.870 -0.066 0.000 1.089 179 L CA 1.711 56.553 54.840 0.004 0.000 0.757 179 L CB -1.021 41.033 42.059 -0.008 0.000 0.899 179 L HN 0.273 nan 8.230 nan 0.000 0.434 180 K N -0.352 119.921 120.400 -0.211 0.000 2.063 180 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 180 K C 2.299 178.839 176.600 -0.100 0.000 1.048 180 K CA 1.400 57.545 56.287 -0.236 0.000 0.928 180 K CB 0.016 32.282 32.500 -0.390 0.000 0.713 180 K HN 0.249 nan 8.250 nan 0.000 0.442 181 R N 0.334 120.799 120.500 -0.058 0.000 2.115 181 R HA -0.080 4.260 4.340 -0.000 0.000 0.226 181 R C 1.858 178.169 176.300 0.019 0.000 1.100 181 R CA 1.262 57.358 56.100 -0.008 0.000 0.980 181 R CB -0.119 30.195 30.300 0.024 0.000 0.875 181 R HN 0.301 nan 8.270 nan 0.000 0.445 182 D N 0.938 121.375 120.400 0.061 0.000 2.097 182 D HA -0.141 4.499 4.640 -0.000 0.000 0.195 182 D C 1.855 178.183 176.300 0.046 0.000 0.989 182 D CA 1.529 55.567 54.000 0.063 0.000 0.827 182 D CB -0.212 40.682 40.800 0.158 0.000 0.966 182 D HN 0.194 nan 8.370 nan 0.000 0.456 183 A N 0.990 123.834 122.820 0.040 0.000 1.948 183 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 183 A C 2.372 179.964 177.584 0.013 0.000 1.177 183 A CA 2.256 54.310 52.037 0.027 0.000 0.636 183 A CB -1.056 17.943 19.000 -0.001 0.000 0.815 183 A HN 0.327 nan 8.150 nan 0.000 0.449 184 G N -1.069 107.732 108.800 0.001 0.000 2.408 184 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 184 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 184 G C 1.773 176.674 174.900 0.001 0.000 1.150 184 G CA 0.771 45.870 45.100 -0.002 0.000 0.776 184 G HN 0.548 nan 8.290 nan 0.000 0.542 185 R N -0.951 119.546 120.500 -0.005 0.000 2.090 185 R HA 0.090 4.430 4.340 -0.000 0.000 0.228 185 R C 2.373 178.672 176.300 -0.000 0.000 1.110 185 R CA 0.467 56.560 56.100 -0.013 0.000 0.973 185 R CB -0.312 29.964 30.300 -0.041 0.000 0.869 185 R HN 0.236 nan 8.270 nan 0.000 0.440 186 L N 0.964 122.193 121.223 0.009 0.000 2.056 186 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 186 L C 2.231 179.119 176.870 0.030 0.000 1.078 186 L CA 1.759 56.615 54.840 0.026 0.000 0.749 186 L CB -0.634 41.455 42.059 0.050 0.000 0.901 186 L HN 0.071 nan 8.230 nan 0.000 0.433 187 E N -0.300 119.914 120.200 0.023 0.000 2.106 187 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 187 E C 1.656 178.269 176.600 0.022 0.000 0.984 187 E CA 1.500 57.912 56.400 0.020 0.000 0.806 187 E CB -0.113 29.595 29.700 0.013 0.000 0.750 187 E HN 0.405 nan 8.360 nan 0.000 0.458 188 D N -0.414 119.998 120.400 0.020 0.000 2.234 188 D HA 0.038 4.678 4.640 -0.000 0.000 0.205 188 D C 1.628 177.949 176.300 0.035 0.000 0.962 188 D CA 1.239 55.253 54.000 0.023 0.000 0.855 188 D CB -0.251 40.559 40.800 0.017 0.000 0.951 188 D HN 0.314 nan 8.370 nan 0.000 0.500 189 A N 0.894 123.738 122.820 0.040 0.000 1.968 189 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 189 A C 2.041 179.671 177.584 0.077 0.000 1.169 189 A CA 1.288 53.362 52.037 0.062 0.000 0.638 189 A CB -0.323 18.712 19.000 0.059 0.000 0.812 189 A HN 0.138 nan 8.150 nan 0.000 0.446 190 K N 0.492 120.927 120.400 0.057 0.000 1.985 190 K HA -0.244 4.076 4.320 -0.000 0.000 0.210 190 K C 1.982 178.609 176.600 0.045 0.000 1.047 190 K CA 2.007 58.325 56.287 0.051 0.000 0.932 190 K CB -0.239 32.279 32.500 0.031 0.000 0.716 190 K HN 0.541 nan 8.250 nan 0.000 0.439 191 E N 0.404 120.626 120.200 0.037 0.000 2.274 191 E HA -0.167 4.183 4.350 -0.000 0.000 0.194 191 E C 2.019 178.646 176.600 0.045 0.000 0.996 191 E CA 0.922 57.344 56.400 0.036 0.000 0.840 191 E CB -0.180 29.537 29.700 0.028 0.000 0.772 191 E HN 0.239 nan 8.360 nan 0.000 0.491 192 R N 0.445 120.975 120.500 0.051 0.000 2.189 192 R HA -0.029 4.311 4.340 -0.000 0.000 0.223 192 R C 1.426 177.762 176.300 0.060 0.000 1.092 192 R CA 1.267 57.400 56.100 0.055 0.000 0.989 192 R CB -0.171 30.167 30.300 0.063 0.000 0.876 192 R HN 0.450 nan 8.270 nan 0.000 0.457 193 L N -2.034 119.229 121.223 0.067 0.000 2.640 193 L HA 0.319 4.659 4.340 -0.000 0.000 0.230 193 L C 0.274 177.162 176.870 0.030 0.000 1.123 193 L CA 0.458 55.315 54.840 0.027 0.000 0.900 193 L CB -0.140 41.957 42.059 0.065 0.000 1.146 193 L HN -0.175 nan 8.230 nan 0.000 0.484 194 N N 2.294 121.045 118.700 0.084 0.000 3.250 194 N HA 0.105 4.845 4.740 -0.000 0.000 0.307 194 N C -0.870 174.825 175.510 0.309 0.000 1.355 194 N CA -0.139 53.029 53.050 0.196 0.000 1.192 194 N CB -0.095 38.441 38.487 0.081 0.000 1.478 194 N HN 0.691 nan 8.380 nan 0.000 0.543 195 E N -1.113 119.181 120.200 0.156 0.000 2.255 195 E HA 0.225 4.575 4.350 -0.000 0.000 0.256 195 E C -0.973 175.289 176.600 -0.564 0.000 0.887 195 E CA -0.889 55.455 56.400 -0.093 0.000 0.782 195 E CB 0.960 30.605 29.700 -0.093 0.000 1.214 195 E HN -0.012 nan 8.360 nan 0.000 0.417 196 S N 3.988 118.951 115.700 -1.228 0.000 2.575 196 S HA 0.038 4.508 4.470 -0.000 0.000 0.295 196 S C -1.362 172.796 174.600 -0.737 0.000 1.267 196 S CA -0.752 56.453 58.200 -1.658 0.000 1.074 196 S CB 0.487 62.829 63.200 -1.429 0.000 0.829 196 S HN 0.566 nan 8.310 nan 0.000 0.497 197 P HA 0.121 nan 4.420 nan 0.000 0.259 197 P C 0.382 177.532 177.300 -0.250 0.000 1.233 197 P CA -0.254 62.657 63.100 -0.314 0.000 0.827 197 P CB -0.008 31.550 31.700 -0.237 0.000 1.154 198 L N 1.386 122.436 121.223 -0.288 0.000 2.601 198 L HA 0.269 4.609 4.340 -0.000 0.000 0.277 198 L C 1.263 178.046 176.870 -0.144 0.000 1.219 198 L CA 2.064 56.790 54.840 -0.190 0.000 0.915 198 L CB -0.811 41.149 42.059 -0.165 0.000 1.160 198 L HN 0.391 nan 8.230 nan 0.000 0.494 199 G N 2.746 111.486 108.800 -0.100 0.000 2.284 199 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.201 199 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.201 199 G C 0.829 175.695 174.900 -0.058 0.000 0.998 199 G CA 0.114 45.178 45.100 -0.060 0.000 0.651 199 G HN 1.254 nan 8.290 nan 0.000 0.489 200 A N 0.354 123.128 122.820 -0.077 0.000 2.168 200 A HA 0.695 5.014 4.320 -0.000 0.000 0.215 200 A C 2.220 179.778 177.584 -0.044 0.000 1.152 200 A CA 2.140 54.144 52.037 -0.055 0.000 0.716 200 A CB -0.627 18.337 19.000 -0.059 0.000 0.794 200 A HN 2.647 nan 8.150 nan 0.000 0.465 201 A N -1.460 121.322 122.820 -0.064 0.000 5.479 201 A HA -0.124 4.196 4.320 -0.000 0.000 0.301 201 A C 2.026 179.569 177.584 -0.068 0.000 1.961 201 A CA 1.949 53.942 52.037 -0.074 0.000 0.716 201 A CB -1.931 17.046 19.000 -0.037 0.000 1.266 201 A HN 1.880 nan 8.150 nan 0.000 0.372 202 A N -1.137 121.655 122.820 -0.046 0.000 1.968 202 A HA 0.376 4.696 4.320 -0.000 0.000 0.217 202 A C 1.802 179.385 177.584 -0.002 0.000 1.169 202 A CA 2.975 54.991 52.037 -0.034 0.000 0.638 202 A CB -0.585 18.405 19.000 -0.016 0.000 0.812 202 A HN 2.310 nan 8.150 nan 0.000 0.446 203 L N -7.380 113.845 121.223 0.003 0.000 5.542 203 L HA 0.514 4.854 4.340 -0.000 0.000 0.566 203 L C 0.093 176.969 176.870 0.010 0.000 0.655 203 L CA 0.071 54.922 54.840 0.018 0.000 2.390 203 L CB -0.693 41.387 42.059 0.035 0.000 2.032 203 L HN 0.270 nan 8.230 nan 0.000 0.577 204 A N 0.687 123.511 122.820 0.007 0.000 2.479 204 A HA 0.882 5.202 4.320 -0.000 0.000 0.296 204 A C 0.585 178.174 177.584 0.008 0.000 1.121 204 A CA 0.003 52.045 52.037 0.008 0.000 0.743 204 A CB 1.114 20.121 19.000 0.012 0.000 1.323 204 A HN 0.240 nan 8.150 nan 0.000 0.415 205 G N -0.233 108.574 108.800 0.011 0.000 2.421 205 G HA2 0.447 4.407 3.960 -0.000 0.000 0.238 205 G HA3 0.447 4.407 3.960 -0.000 0.000 0.238 205 G C 0.084 175.013 174.900 0.047 0.000 1.544 205 G CA 1.081 46.193 45.100 0.020 0.000 1.044 205 G HN 1.307 nan 8.290 nan 0.000 0.537 206 T N -2.742 111.857 114.554 0.075 0.000 2.883 206 T HA 0.522 4.872 4.350 -0.000 0.000 0.301 206 T C 0.781 175.546 174.700 0.108 0.000 1.158 206 T CA 0.092 62.278 62.100 0.143 0.000 1.007 206 T CB 1.722 70.750 68.868 0.267 0.000 1.186 206 T HN 0.701 nan 8.240 nan 0.000 0.499 207 G N -0.153 108.683 108.800 0.060 0.000 2.880 207 G HA2 0.243 4.203 3.960 -0.000 0.000 0.209 207 G HA3 0.243 4.203 3.960 -0.000 0.000 0.209 207 G C 0.025 174.884 174.900 -0.068 0.000 1.157 207 G CA -0.254 44.816 45.100 -0.051 0.000 0.779 207 G HN 0.561 nan 8.290 nan 0.000 0.539 208 F N 1.407 121.349 119.950 -0.012 0.000 2.471 208 F HA 0.248 4.775 4.527 0.000 0.000 0.353 208 F C -1.002 174.788 175.800 -0.016 0.000 1.113 208 F CA -2.108 55.883 58.000 -0.014 0.000 1.262 208 F CB 1.105 40.098 39.000 -0.013 0.000 1.146 208 F HN -0.071 nan 8.300 nan 0.000 0.578 209 P HA 0.006 nan 4.420 nan 0.000 0.262 209 P C -0.059 177.283 177.300 0.070 0.000 1.647 209 P CA 0.261 63.410 63.100 0.083 0.000 0.865 209 P CB -0.404 31.322 31.700 0.044 0.000 1.834 210 I N 1.479 122.105 120.570 0.094 0.000 2.648 210 I HA 0.020 4.190 4.170 -0.000 0.000 0.284 210 I C 0.770 176.916 176.117 0.048 0.000 1.153 210 I CA 0.279 61.609 61.300 0.049 0.000 1.426 210 I CB 0.152 38.184 38.000 0.053 0.000 1.381 210 I HN -0.036 nan 8.210 nan 0.000 0.571 211 D N 6.878 127.308 120.400 0.049 0.000 2.373 211 D HA 0.239 4.879 4.640 -0.000 0.000 0.227 211 D C 0.778 177.158 176.300 0.134 0.000 1.091 211 D CA -0.261 53.796 54.000 0.095 0.000 0.840 211 D CB 0.806 41.652 40.800 0.076 0.000 1.060 211 D HN 0.465 nan 8.370 nan 0.000 0.502 212 R N 2.132 122.699 120.500 0.111 0.000 2.140 212 R HA -0.017 4.323 4.340 -0.000 0.000 0.213 212 R C 1.265 177.552 176.300 -0.022 0.000 1.059 212 R CA 0.539 56.649 56.100 0.017 0.000 1.000 212 R CB 0.115 30.371 30.300 -0.073 0.000 0.910 212 R HN 0.530 nan 8.270 nan 0.000 0.455 213 H N -0.439 118.670 119.070 0.065 0.000 2.423 213 H HA -0.089 4.467 4.556 0.000 0.000 0.297 213 H C 1.517 176.915 175.328 0.117 0.000 1.075 213 H CA 1.440 57.530 56.048 0.069 0.000 1.342 213 H CB -0.120 29.683 29.762 0.069 0.000 1.395 213 H HN 0.080 nan 8.280 nan 0.000 0.530 214 F N 1.616 121.635 119.950 0.116 0.000 2.069 214 F HA -0.278 4.249 4.527 0.000 0.000 0.298 214 F C 2.578 178.407 175.800 0.049 0.000 1.113 214 F CA 1.954 59.997 58.000 0.071 0.000 1.214 214 F CB -0.917 38.111 39.000 0.047 0.000 0.978 214 F HN 0.249 nan 8.300 nan 0.000 0.474 215 T N -0.737 113.812 114.554 -0.010 0.000 2.652 215 T HA -0.237 4.113 4.350 -0.000 0.000 0.267 215 T C 2.212 176.847 174.700 -0.110 0.000 1.039 215 T CA 1.692 63.718 62.100 -0.123 0.000 1.153 215 T CB -1.493 67.367 68.868 -0.013 0.000 0.863 215 T HN 0.338 nan 8.240 nan 0.000 0.428 216 A N 2.670 125.462 122.820 -0.046 0.000 1.884 216 A HA -0.100 4.220 4.320 -0.000 0.000 0.219 216 A C 2.895 180.528 177.584 0.082 0.000 1.197 216 A CA 3.819 55.887 52.037 0.052 0.000 0.637 216 A CB -1.698 17.271 19.000 -0.051 0.000 0.827 216 A HN 0.875 nan 8.150 nan 0.000 0.450 217 R N -0.018 120.486 120.500 0.007 0.000 2.103 217 R HA -0.200 4.140 4.340 -0.000 0.000 0.234 217 R C 1.927 178.189 176.300 -0.063 0.000 1.132 217 R CA 2.064 58.161 56.100 -0.005 0.000 0.925 217 R CB -1.798 28.509 30.300 0.010 0.000 0.842 217 R HN 0.819 nan 8.270 nan 0.000 0.430 218 E N 0.517 120.609 120.200 -0.180 0.000 2.267 218 E HA -0.068 4.282 4.350 -0.000 0.000 0.197 218 E C 1.618 178.148 176.600 -0.116 0.000 0.998 218 E CA 1.007 57.316 56.400 -0.152 0.000 0.830 218 E CB -0.101 29.400 29.700 -0.332 0.000 0.751 218 E HN 0.521 nan 8.360 nan 0.000 0.491 219 L N -0.060 120.999 121.223 -0.272 0.000 2.653 219 L HA 0.167 4.507 4.340 -0.000 0.000 0.231 219 L C 1.214 177.705 176.870 -0.630 0.000 1.153 219 L CA 0.147 54.575 54.840 -0.687 0.000 0.933 219 L CB 0.208 41.957 42.059 -0.515 0.000 1.175 219 L HN 0.247 nan 8.230 nan 0.000 0.473 220 G N -0.376 108.288 108.800 -0.226 0.000 2.184 220 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.264 220 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.264 220 G C 0.207 174.956 174.900 -0.251 0.000 0.975 220 G CA -0.175 44.819 45.100 -0.178 0.000 0.642 220 G HN 0.188 nan 8.290 nan 0.000 0.536 221 F N 0.182 120.071 119.950 -0.101 0.000 2.410 221 F HA 0.546 5.073 4.527 -0.000 0.000 0.334 221 F C 1.728 177.494 175.800 -0.056 0.000 1.134 221 F CA 0.644 58.588 58.000 -0.092 0.000 1.227 221 F CB 0.673 39.593 39.000 -0.133 0.000 1.194 221 F HN 0.131 nan 8.300 nan 0.000 0.571 222 K N 1.473 121.979 120.400 0.178 0.000 2.228 222 K HA 0.583 4.903 4.320 -0.000 0.000 0.202 222 K C 0.587 177.237 176.600 0.083 0.000 1.051 222 K CA 1.216 57.561 56.287 0.097 0.000 0.960 222 K CB -0.526 32.017 32.500 0.072 0.000 0.743 222 K HN 0.981 nan 8.250 nan 0.000 0.458 223 A N -1.436 121.422 122.820 0.063 0.000 2.452 223 A HA 0.563 4.883 4.320 -0.000 0.000 0.294 223 A C -3.324 174.158 177.584 -0.170 0.000 1.010 223 A CA -0.849 51.169 52.037 -0.031 0.000 0.613 223 A CB 0.392 19.391 19.000 -0.003 0.000 1.363 223 A HN 0.031 nan 8.150 nan 0.000 0.463 224 P HA 0.519 nan 4.420 nan 0.000 0.282 224 P C -0.368 176.792 177.300 -0.234 0.000 1.249 224 P CA -0.261 62.639 63.100 -0.334 0.000 0.806 224 P CB 0.597 32.037 31.700 -0.434 0.000 0.984 225 M N 2.451 121.913 119.600 -0.230 0.000 2.245 225 M HA 0.118 4.598 4.480 -0.000 0.000 0.344 225 M C 1.462 177.695 176.300 -0.111 0.000 1.170 225 M CA 0.579 55.787 55.300 -0.154 0.000 1.135 225 M CB 0.464 32.971 32.600 -0.155 0.000 1.574 225 M HN 0.279 nan 8.290 nan 0.000 0.452 226 R N 1.168 121.627 120.500 -0.068 0.000 2.323 226 R HA 0.065 4.405 4.340 -0.000 0.000 0.198 226 R C 0.235 176.517 176.300 -0.030 0.000 0.988 226 R CA 0.354 56.429 56.100 -0.041 0.000 1.041 226 R CB -0.156 30.133 30.300 -0.019 0.000 0.926 226 R HN 0.572 nan 8.270 nan 0.000 0.476 227 N N 0.288 118.967 118.700 -0.035 0.000 2.533 227 N HA -0.011 4.729 4.740 -0.000 0.000 0.289 227 N C 0.513 176.007 175.510 -0.025 0.000 1.103 227 N CA 0.029 53.066 53.050 -0.022 0.000 0.877 227 N CB 1.672 40.152 38.487 -0.011 0.000 1.419 227 N HN -0.042 nan 8.380 nan 0.000 0.517 228 S N 4.077 119.763 115.700 -0.022 0.000 2.368 228 S HA -0.221 4.249 4.470 -0.000 0.000 0.226 228 S C 1.977 176.573 174.600 -0.008 0.000 1.044 228 S CA 0.991 59.179 58.200 -0.021 0.000 1.062 228 S CB -0.563 62.630 63.200 -0.012 0.000 0.931 228 S HN 0.585 nan 8.310 nan 0.000 0.440 229 L N 1.767 122.991 121.223 0.002 0.000 1.971 229 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 229 L C 2.904 179.784 176.870 0.017 0.000 1.072 229 L CA 2.123 56.971 54.840 0.013 0.000 0.758 229 L CB -0.967 41.099 42.059 0.011 0.000 0.889 229 L HN 0.381 nan 8.230 nan 0.000 0.433 230 D N -0.042 120.363 120.400 0.010 0.000 2.092 230 D HA -0.221 4.419 4.640 -0.000 0.000 0.193 230 D C 2.113 178.425 176.300 0.021 0.000 0.994 230 D CA 1.695 55.704 54.000 0.015 0.000 0.828 230 D CB -0.021 40.783 40.800 0.007 0.000 0.963 230 D HN 0.266 nan 8.370 nan 0.000 0.450 231 A N -0.186 122.631 122.820 -0.005 0.000 1.948 231 A HA -0.164 4.156 4.320 -0.000 0.000 0.220 231 A C 2.549 180.137 177.584 0.008 0.000 1.177 231 A CA 1.852 53.874 52.037 -0.026 0.000 0.636 231 A CB -0.811 18.145 19.000 -0.074 0.000 0.815 231 A HN 0.277 nan 8.150 nan 0.000 0.449 232 V N -1.463 118.467 119.914 0.027 0.000 3.052 232 V HA 0.081 4.201 4.120 -0.000 0.000 0.254 232 V C 2.485 178.652 176.094 0.122 0.000 1.100 232 V CA 1.444 63.786 62.300 0.069 0.000 1.112 232 V CB 0.083 31.942 31.823 0.060 0.000 0.738 232 V HN 0.610 nan 8.190 nan 0.000 0.469 233 A N -1.628 121.244 122.820 0.087 0.000 2.252 233 A HA 0.251 4.571 4.320 -0.000 0.000 0.213 233 A C 1.345 178.970 177.584 0.069 0.000 1.188 233 A CA 0.154 52.233 52.037 0.069 0.000 0.863 233 A CB 0.116 19.138 19.000 0.037 0.000 0.893 233 A HN 0.386 nan 8.150 nan 0.000 0.495 234 S N 0.526 116.292 115.700 0.109 0.000 2.545 234 S HA 0.436 4.906 4.470 -0.000 0.000 0.275 234 S C 0.762 175.496 174.600 0.223 0.000 1.299 234 S CA -0.418 57.867 58.200 0.141 0.000 1.048 234 S CB 0.549 63.846 63.200 0.161 0.000 0.938 234 S HN 0.376 nan 8.310 nan 0.000 0.496 235 R N 1.453 121.966 120.500 0.021 0.000 2.549 235 R HA 0.088 4.428 4.340 -0.000 0.000 0.361 235 R C 0.732 176.802 176.300 -0.383 0.000 0.969 235 R CA -0.033 55.887 56.100 -0.300 0.000 1.158 235 R CB -0.148 30.003 30.300 -0.248 0.000 1.456 235 R HN 0.752 nan 8.270 nan 0.000 0.540 236 D N 0.707 121.046 120.400 -0.103 0.000 2.221 236 D HA -0.207 4.433 4.640 -0.000 0.000 0.204 236 D C 1.597 177.870 176.300 -0.046 0.000 0.982 236 D CA 0.991 54.957 54.000 -0.057 0.000 0.857 236 D CB -0.448 40.373 40.800 0.034 0.000 0.934 236 D HN 0.304 nan 8.370 nan 0.000 0.475 237 F N 1.467 121.433 119.950 0.028 0.000 2.186 237 F HA 0.192 4.719 4.527 -0.000 0.000 0.299 237 F C 2.594 178.423 175.800 0.049 0.000 1.090 237 F CA 0.607 58.631 58.000 0.041 0.000 1.307 237 F CB -0.881 38.148 39.000 0.048 0.000 1.019 237 F HN 0.044 nan 8.300 nan 0.000 0.489 238 A N 0.932 123.190 122.820 -0.937 0.000 1.930 238 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 238 A C 2.123 179.579 177.584 -0.213 0.000 1.175 238 A CA 1.453 53.161 52.037 -0.548 0.000 0.627 238 A CB -1.063 17.515 19.000 -0.704 0.000 0.815 238 A HN 0.416 nan 8.150 nan 0.000 0.443 239 L N 0.004 121.104 121.223 -0.205 0.000 2.056 239 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 239 L C 2.326 179.273 176.870 0.130 0.000 1.078 239 L CA 2.344 57.149 54.840 -0.058 0.000 0.749 239 L CB -0.817 41.168 42.059 -0.123 0.000 0.901 239 L HN 0.661 nan 8.230 nan 0.000 0.433 240 E N -1.058 119.181 120.200 0.066 0.000 2.051 240 E HA -0.183 4.167 4.350 -0.000 0.000 0.192 240 E C 2.129 178.766 176.600 0.061 0.000 0.991 240 E CA 1.678 58.129 56.400 0.085 0.000 0.799 240 E CB 0.008 29.759 29.700 0.083 0.000 0.748 240 E HN 0.258 nan 8.360 nan 0.000 0.449 241 V N 1.421 121.372 119.914 0.062 0.000 2.287 241 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 241 V C 2.529 178.632 176.094 0.014 0.000 1.053 241 V CA 1.648 63.977 62.300 0.049 0.000 1.027 241 V CB -0.511 31.364 31.823 0.088 0.000 0.646 241 V HN 0.370 nan 8.190 nan 0.000 0.447 242 L N -0.092 121.162 121.223 0.053 0.000 2.042 242 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 242 L C 2.753 179.604 176.870 -0.032 0.000 1.076 242 L CA 1.916 56.797 54.840 0.067 0.000 0.749 242 L CB -0.595 41.584 42.059 0.200 0.000 0.893 242 L HN 0.428 nan 8.230 nan 0.000 0.432 243 S N -0.444 115.221 115.700 -0.058 0.000 2.356 243 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 243 S C 2.113 176.531 174.600 -0.305 0.000 1.032 243 S CA 1.346 59.311 58.200 -0.391 0.000 1.005 243 S CB -0.091 62.930 63.200 -0.298 0.000 0.867 243 S HN 0.459 nan 8.310 nan 0.000 0.449 244 A N 1.526 124.231 122.820 -0.192 0.000 1.877 244 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 244 A C 2.242 179.636 177.584 -0.316 0.000 1.186 244 A CA 1.532 53.449 52.037 -0.201 0.000 0.620 244 A CB -0.895 18.038 19.000 -0.111 0.000 0.822 244 A HN 0.577 nan 8.150 nan 0.000 0.443 245 L N 0.040 121.075 121.223 -0.315 0.000 2.012 245 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 245 L C 2.701 179.280 176.870 -0.485 0.000 1.073 245 L CA 1.829 56.372 54.840 -0.496 0.000 0.748 245 L CB -0.793 41.110 42.059 -0.261 0.000 0.891 245 L HN 0.652 nan 8.230 nan 0.000 0.431 246 N N 1.085 119.588 118.700 -0.330 0.000 2.043 246 N HA -0.232 4.508 4.740 -0.000 0.000 0.193 246 N C 1.978 177.298 175.510 -0.315 0.000 1.037 246 N CA 1.797 54.672 53.050 -0.292 0.000 0.851 246 N CB -0.081 38.212 38.487 -0.324 0.000 1.027 246 N HN 0.295 nan 8.380 nan 0.000 0.422 247 I N 0.755 121.110 120.570 -0.358 0.000 2.286 247 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 247 I C 2.599 178.451 176.117 -0.442 0.000 1.115 247 I CA 1.254 62.325 61.300 -0.382 0.000 1.392 247 I CB -0.646 37.136 38.000 -0.364 0.000 1.065 247 I HN 0.269 nan 8.210 nan 0.000 0.418 248 G N 0.463 109.013 108.800 -0.416 0.000 2.404 248 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.215 248 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.215 248 G C 1.612 176.474 174.900 -0.065 0.000 1.174 248 G CA 0.574 45.507 45.100 -0.277 0.000 0.780 248 G HN 0.164 nan 8.290 nan 0.000 0.537 249 M N 0.394 119.861 119.600 -0.222 0.000 2.149 249 M HA 0.127 4.607 4.480 -0.000 0.000 0.261 249 M C 2.333 178.643 176.300 0.017 0.000 1.064 249 M CA 1.067 56.377 55.300 0.017 0.000 1.102 249 M CB -0.468 32.095 32.600 -0.062 0.000 1.369 249 M HN 0.167 nan 8.290 nan 0.000 0.408 250 L N -1.518 119.658 121.223 -0.078 0.000 2.131 250 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 250 L C 2.252 179.158 176.870 0.061 0.000 1.092 250 L CA 1.452 56.261 54.840 -0.052 0.000 0.759 250 L CB -0.770 41.206 42.059 -0.138 0.000 0.903 250 L HN 0.472 nan 8.230 nan 0.000 0.435 251 H N -0.675 118.409 119.070 0.023 0.000 2.357 251 H HA -0.121 4.435 4.556 -0.000 0.000 0.301 251 H C 2.352 177.737 175.328 0.095 0.000 1.082 251 H CA 0.860 56.952 56.048 0.074 0.000 1.342 251 H CB 0.193 30.004 29.762 0.081 0.000 1.389 251 H HN 0.250 nan 8.280 nan 0.000 0.511 252 L N 0.406 121.749 121.223 0.200 0.000 2.131 252 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 252 L C 2.718 179.607 176.870 0.032 0.000 1.092 252 L CA 1.254 56.144 54.840 0.084 0.000 0.759 252 L CB -0.475 41.643 42.059 0.099 0.000 0.903 252 L HN 0.371 nan 8.230 nan 0.000 0.435 253 S N -0.173 115.558 115.700 0.051 0.000 2.423 253 S HA -0.141 4.329 4.470 -0.000 0.000 0.231 253 S C 2.033 176.646 174.600 0.021 0.000 1.014 253 S CA 0.485 58.697 58.200 0.020 0.000 0.965 253 S CB -0.236 62.972 63.200 0.015 0.000 0.785 253 S HN 0.389 nan 8.310 nan 0.000 0.495 254 R N 0.268 120.813 120.500 0.074 0.000 2.066 254 R HA 0.114 4.454 4.340 -0.000 0.000 0.232 254 R C 2.598 178.952 176.300 0.090 0.000 1.131 254 R CA 1.551 57.716 56.100 0.107 0.000 0.955 254 R CB -0.447 29.968 30.300 0.192 0.000 0.851 254 R HN 0.452 nan 8.270 nan 0.000 0.432 255 M N 0.516 120.107 119.600 -0.016 0.000 2.099 255 M HA -0.112 4.368 4.480 -0.000 0.000 0.262 255 M C 2.299 178.527 176.300 -0.121 0.000 1.067 255 M CA 1.746 56.871 55.300 -0.291 0.000 1.124 255 M CB -0.159 31.968 32.600 -0.788 0.000 1.353 255 M HN 0.238 nan 8.290 nan 0.000 0.410 256 A N 0.333 123.094 122.820 -0.098 0.000 1.873 256 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 256 A C 1.801 179.326 177.584 -0.098 0.000 1.193 256 A CA 2.378 54.366 52.037 -0.081 0.000 0.629 256 A CB -1.069 17.896 19.000 -0.058 0.000 0.826 256 A HN 0.660 nan 8.150 nan 0.000 0.447 257 E N 0.295 120.442 120.200 -0.089 0.000 2.070 257 E HA -0.243 4.107 4.350 -0.000 0.000 0.197 257 E C 1.871 178.335 176.600 -0.226 0.000 1.004 257 E CA 2.124 58.449 56.400 -0.125 0.000 0.805 257 E CB -0.348 29.299 29.700 -0.088 0.000 0.744 257 E HN 0.734 nan 8.360 nan 0.000 0.451 258 E N -0.105 119.956 120.200 -0.231 0.000 2.110 258 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 258 E C 2.292 178.508 176.600 -0.640 0.000 0.988 258 E CA 1.172 57.263 56.400 -0.515 0.000 0.804 258 E CB -0.179 29.376 29.700 -0.241 0.000 0.745 258 E HN 0.363 nan 8.360 nan 0.000 0.458 259 L N 0.582 121.643 121.223 -0.271 0.000 2.141 259 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 259 L C 2.378 179.118 176.870 -0.217 0.000 1.094 259 L CA 0.700 55.426 54.840 -0.190 0.000 0.763 259 L CB -0.235 41.772 42.059 -0.086 0.000 0.908 259 L HN 0.148 nan 8.230 nan 0.000 0.437 260 I N -0.833 119.604 120.570 -0.221 0.000 2.315 260 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 260 I C 2.341 178.295 176.117 -0.270 0.000 1.117 260 I CA 0.826 62.010 61.300 -0.194 0.000 1.404 260 I CB -0.079 37.826 38.000 -0.159 0.000 1.071 260 I HN 0.202 nan 8.210 nan 0.000 0.419 261 L N -0.212 120.761 121.223 -0.416 0.000 2.109 261 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 261 L C 2.141 178.569 176.870 -0.737 0.000 1.086 261 L CA 1.884 56.338 54.840 -0.644 0.000 0.760 261 L CB -0.750 40.833 42.059 -0.793 0.000 0.910 261 L HN 0.164 nan 8.230 nan 0.000 0.437 262 Y N -1.037 118.947 120.300 -0.527 0.000 2.516 262 Y HA 0.040 4.590 4.550 -0.000 0.000 0.291 262 Y C 2.553 178.298 175.900 -0.259 0.000 1.131 262 Y CA 0.472 58.353 58.100 -0.365 0.000 1.281 262 Y CB -1.106 37.318 38.460 -0.060 0.000 1.013 262 Y HN 0.397 nan 8.280 nan 0.000 0.554 263 S N -1.492 114.144 115.700 -0.106 0.000 2.577 263 S HA 0.072 4.542 4.470 -0.000 0.000 0.219 263 S C 0.812 175.364 174.600 -0.079 0.000 0.962 263 S CA -0.188 57.956 58.200 -0.095 0.000 0.921 263 S CB -1.025 62.107 63.200 -0.115 0.000 0.789 263 S HN 0.295 nan 8.310 nan 0.000 0.497 264 T N 0.155 114.650 114.554 -0.098 0.000 2.788 264 T HA 0.335 4.685 4.350 -0.000 0.000 0.287 264 T C 0.727 175.430 174.700 0.004 0.000 1.007 264 T CA -0.517 61.554 62.100 -0.048 0.000 1.005 264 T CB 0.661 69.506 68.868 -0.039 0.000 1.012 264 T HN 0.260 nan 8.240 nan 0.000 0.530 265 E N 0.120 120.330 120.200 0.016 0.000 2.274 265 E HA -0.079 4.271 4.350 -0.000 0.000 0.194 265 E C 1.867 178.489 176.600 0.036 0.000 0.996 265 E CA 0.659 57.072 56.400 0.022 0.000 0.840 265 E CB 0.006 29.715 29.700 0.016 0.000 0.772 265 E HN 0.668 nan 8.360 nan 0.000 0.491 266 E N -0.118 120.127 120.200 0.075 0.000 2.072 266 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 266 E C 1.331 177.949 176.600 0.030 0.000 0.982 266 E CA 0.944 57.391 56.400 0.078 0.000 0.803 266 E CB -0.077 29.710 29.700 0.145 0.000 0.755 266 E HN 0.196 nan 8.360 nan 0.000 0.453 267 F N -0.465 119.341 119.950 -0.241 0.000 2.220 267 F HA 0.239 4.766 4.527 -0.000 0.000 0.290 267 F C 1.811 177.267 175.800 -0.573 0.000 1.080 267 F CA 0.954 58.617 58.000 -0.561 0.000 1.318 267 F CB -0.593 37.979 39.000 -0.713 0.000 1.063 267 F HN 0.132 nan 8.300 nan 0.000 0.498 268 G N 0.066 108.817 108.800 -0.082 0.000 2.321 268 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.287 268 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.287 268 G C 0.693 175.695 174.900 0.170 0.000 1.018 268 G CA 0.591 45.702 45.100 0.018 0.000 0.855 268 G HN 0.243 nan 8.290 nan 0.000 0.507 269 F N -1.145 118.875 119.950 0.116 0.000 2.335 269 F HA 0.446 4.973 4.527 0.000 0.000 0.296 269 F C 1.525 177.339 175.800 0.022 0.000 1.091 269 F CA 0.101 58.161 58.000 0.099 0.000 1.399 269 F CB -0.039 38.993 39.000 0.054 0.000 1.067 269 F HN 0.269 nan 8.300 nan 0.000 0.520 270 V N -0.661 119.268 119.914 0.024 0.000 3.147 270 V HA 0.433 4.553 4.120 -0.000 0.000 0.306 270 V C -1.377 174.587 176.094 -0.217 0.000 1.209 270 V CA -0.832 61.285 62.300 -0.306 0.000 1.023 270 V CB 2.474 33.651 31.823 -1.076 0.000 1.059 270 V HN 0.116 nan 8.190 nan 0.000 0.435 271 E N 2.943 123.017 120.200 -0.209 0.000 2.171 271 E HA 0.637 4.987 4.350 -0.000 0.000 0.271 271 E C -1.485 175.042 176.600 -0.122 0.000 0.916 271 E CA -0.579 55.752 56.400 -0.116 0.000 0.774 271 E CB 2.127 31.800 29.700 -0.045 0.000 1.128 271 E HN 0.568 nan 8.360 nan 0.000 0.403 272 V N 6.219 126.088 119.914 -0.075 0.000 2.530 272 V HA 0.222 4.342 4.120 -0.000 0.000 0.282 272 V C -2.067 174.055 176.094 0.047 0.000 1.048 272 V CA -1.666 60.621 62.300 -0.023 0.000 0.997 272 V CB 0.946 32.766 31.823 -0.005 0.000 0.987 272 V HN 0.791 nan 8.190 nan 0.000 0.477 273 P HA 0.007 nan 4.420 nan 0.000 0.265 273 P C 0.470 177.834 177.300 0.107 0.000 1.187 273 P CA 0.093 63.287 63.100 0.156 0.000 0.766 273 P CB 0.449 32.340 31.700 0.318 0.000 0.820 274 D N 2.731 123.146 120.400 0.024 0.000 2.190 274 D HA -0.191 4.449 4.640 -0.000 0.000 0.200 274 D C 1.615 177.847 176.300 -0.115 0.000 0.992 274 D CA 1.731 55.713 54.000 -0.030 0.000 0.854 274 D CB -0.338 40.439 40.800 -0.038 0.000 0.936 274 D HN 0.412 nan 8.370 nan 0.000 0.462 275 A N -0.789 121.883 122.820 -0.247 0.000 2.239 275 A HA 0.017 4.337 4.320 -0.000 0.000 0.209 275 A C 0.720 177.720 177.584 -0.973 0.000 1.171 275 A CA 0.367 52.044 52.037 -0.600 0.000 0.768 275 A CB -0.424 18.115 19.000 -0.769 0.000 0.790 275 A HN 0.163 nan 8.150 nan 0.000 0.478 276 F N -2.282 117.661 119.950 -0.011 0.000 2.880 276 F HA 0.532 5.059 4.527 0.001 0.000 0.328 276 F C 0.774 176.562 175.800 -0.020 0.000 1.146 276 F CA -0.068 57.923 58.000 -0.014 0.000 1.135 276 F CB 0.019 39.011 39.000 -0.014 0.000 1.151 276 F HN 0.188 nan 8.300 nan 0.000 0.523 277 A N 0.113 122.972 122.820 0.065 0.000 2.443 277 A HA 0.945 5.265 4.320 -0.000 0.000 0.278 277 A C -0.167 177.417 177.584 0.001 0.000 1.252 277 A CA -0.245 51.814 52.037 0.037 0.000 0.816 277 A CB 0.986 20.004 19.000 0.030 0.000 1.369 277 A HN 0.087 nan 8.150 nan 0.000 0.446 278 T N -3.247 111.306 114.554 -0.001 0.000 2.883 278 T HA 0.831 5.181 4.350 -0.000 0.000 0.301 278 T C -0.122 174.574 174.700 -0.008 0.000 1.158 278 T CA -0.042 62.052 62.100 -0.009 0.000 1.007 278 T CB 1.549 70.413 68.868 -0.007 0.000 1.186 278 T HN 2.092 nan 8.240 nan 0.000 0.499 279 G N -0.369 108.425 108.800 -0.010 0.000 2.706 279 G HA2 0.674 4.634 3.960 -0.000 0.000 0.307 279 G HA3 0.674 4.634 3.960 -0.000 0.000 0.307 279 G C -1.486 173.410 174.900 -0.007 0.000 1.307 279 G CA -0.382 44.713 45.100 -0.008 0.000 0.790 279 G HN 1.216 nan 8.290 nan 0.000 0.503 280 S N -1.374 114.323 115.700 -0.006 0.000 2.572 280 S HA 0.482 4.952 4.470 -0.000 0.000 0.274 280 S C 1.210 175.808 174.600 -0.003 0.000 1.150 280 S CA 0.581 58.778 58.200 -0.005 0.000 0.944 280 S CB 1.464 64.662 63.200 -0.004 0.000 1.071 280 S HN 1.600 nan 8.310 nan 0.000 0.479 281 S N 4.775 120.473 115.700 -0.003 0.000 2.419 281 S HA -0.068 4.402 4.470 -0.000 0.000 0.233 281 S C 1.766 176.365 174.600 -0.001 0.000 1.016 281 S CA 0.860 59.059 58.200 -0.002 0.000 0.974 281 S CB -0.713 62.486 63.200 -0.003 0.000 0.786 281 S HN 0.743 nan 8.310 nan 0.000 0.492 282 I N 0.449 121.018 120.570 -0.001 0.000 2.099 282 I HA -0.042 4.128 4.170 -0.000 0.000 0.239 282 I C 1.414 177.532 176.117 0.000 0.000 1.066 282 I CA 1.132 62.431 61.300 -0.000 0.000 1.324 282 I CB -0.125 37.875 38.000 -0.001 0.000 1.037 282 I HN 0.363 nan 8.210 nan 0.000 0.401 283 M N 1.302 120.902 119.600 -0.000 0.000 2.208 283 M HA 0.257 4.737 4.480 -0.000 0.000 0.352 283 M C -2.096 174.205 176.300 0.000 0.000 1.137 283 M CA -2.355 52.945 55.300 0.001 0.000 1.091 283 M CB 0.283 32.884 32.600 0.000 0.000 1.309 283 M HN -0.162 nan 8.290 nan 0.000 0.408 284 P HA 0.047 nan 4.420 nan 0.000 0.247 284 P C 0.315 177.617 177.300 0.003 0.000 1.225 284 P CA 0.837 63.938 63.100 0.002 0.000 0.768 284 P CB 0.219 31.921 31.700 0.003 0.000 1.020 285 Q N -1.394 118.408 119.800 0.003 0.000 2.217 285 Q HA 0.134 4.474 4.340 -0.000 0.000 0.217 285 Q C 0.468 176.469 176.000 0.001 0.000 0.844 285 Q CA -0.118 55.688 55.803 0.004 0.000 0.957 285 Q CB 0.506 29.248 28.738 0.007 0.000 1.127 285 Q HN 0.099 nan 8.270 nan 0.000 0.503 286 K N 1.447 121.846 120.400 -0.001 0.000 2.211 286 K HA 0.290 4.610 4.320 -0.000 0.000 0.275 286 K C -1.063 175.533 176.600 -0.007 0.000 1.024 286 K CA -0.245 56.039 56.287 -0.005 0.000 0.887 286 K CB 0.729 33.226 32.500 -0.004 0.000 1.084 286 K HN -0.245 nan 8.250 nan 0.000 0.463 287 K N 3.982 124.376 120.400 -0.010 0.000 2.687 287 K HA 0.233 4.553 4.320 -0.000 0.000 0.249 287 K C -1.319 175.272 176.600 -0.014 0.000 0.994 287 K CA -0.707 55.573 56.287 -0.010 0.000 0.913 287 K CB 0.756 33.250 32.500 -0.010 0.000 1.202 287 K HN 0.619 nan 8.250 nan 0.000 0.460 288 N N 5.349 124.043 118.700 -0.010 0.000 2.430 288 N HA 0.129 4.869 4.740 -0.000 0.000 0.265 288 N C -2.271 173.236 175.510 -0.004 0.000 1.100 288 N CA -1.405 51.639 53.050 -0.011 0.000 0.961 288 N CB 1.190 39.672 38.487 -0.009 0.000 1.075 288 N HN 0.388 nan 8.380 nan 0.000 0.478 289 P HA 0.138 nan 4.420 nan 0.000 0.220 289 P C -0.232 177.071 177.300 0.004 0.000 1.778 289 P CA -0.155 62.941 63.100 -0.006 0.000 0.912 289 P CB 0.107 31.784 31.700 -0.038 0.000 1.861 290 D N 0.711 121.121 120.400 0.017 0.000 2.154 290 D HA -0.215 4.425 4.640 -0.000 0.000 0.190 290 D C 1.927 178.245 176.300 0.029 0.000 1.003 290 D CA 1.465 55.476 54.000 0.019 0.000 0.849 290 D CB -0.143 40.671 40.800 0.023 0.000 0.942 290 D HN 0.142 nan 8.370 nan 0.000 0.446 291 I N 0.129 120.735 120.570 0.060 0.000 2.226 291 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 291 I C 2.390 178.517 176.117 0.017 0.000 1.100 291 I CA 0.959 62.297 61.300 0.063 0.000 1.374 291 I CB -1.043 37.040 38.000 0.137 0.000 1.057 291 I HN 0.151 nan 8.210 nan 0.000 0.413 292 L N 0.369 121.591 121.223 -0.002 0.000 2.083 292 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 292 L C 2.471 179.323 176.870 -0.029 0.000 1.083 292 L CA 1.317 56.138 54.840 -0.032 0.000 0.752 292 L CB -0.523 41.506 42.059 -0.050 0.000 0.899 292 L HN 0.281 nan 8.230 nan 0.000 0.433 293 E N -0.052 120.135 120.200 -0.022 0.000 2.150 293 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 293 E C 2.324 178.916 176.600 -0.012 0.000 0.985 293 E CA 0.869 57.255 56.400 -0.023 0.000 0.814 293 E CB -0.041 29.647 29.700 -0.020 0.000 0.752 293 E HN 0.477 nan 8.360 nan 0.000 0.466 294 L N 0.578 121.800 121.223 -0.002 0.000 2.072 294 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 294 L C 2.409 179.282 176.870 0.004 0.000 1.079 294 L CA 0.723 55.565 54.840 0.004 0.000 0.752 294 L CB -0.200 41.867 42.059 0.014 0.000 0.906 294 L HN 0.159 nan 8.230 nan 0.000 0.436 295 I N -0.275 120.295 120.570 0.001 0.000 2.361 295 I HA -0.316 3.854 4.170 -0.000 0.000 0.251 295 I C 2.811 178.930 176.117 0.002 0.000 1.133 295 I CA 1.118 62.419 61.300 0.002 0.000 1.413 295 I CB -0.281 37.711 38.000 -0.013 0.000 1.073 295 I HN 0.294 nan 8.210 nan 0.000 0.424 296 R N 1.438 121.933 120.500 -0.009 0.000 2.061 296 R HA -0.146 4.194 4.340 -0.000 0.000 0.230 296 R C 2.454 178.750 176.300 -0.006 0.000 1.140 296 R CA 1.660 57.753 56.100 -0.012 0.000 0.940 296 R CB -0.391 29.893 30.300 -0.025 0.000 0.839 296 R HN 0.255 nan 8.270 nan 0.000 0.429 297 A N 1.466 124.281 122.820 -0.007 0.000 1.948 297 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 297 A C 1.828 179.412 177.584 -0.000 0.000 1.177 297 A CA 1.759 53.793 52.037 -0.005 0.000 0.636 297 A CB -0.424 18.573 19.000 -0.005 0.000 0.815 297 A HN 0.415 nan 8.150 nan 0.000 0.449 298 K N 0.065 120.468 120.400 0.006 0.000 2.643 298 K HA 0.170 4.490 4.320 -0.000 0.000 0.193 298 K C 1.581 178.186 176.600 0.009 0.000 1.027 298 K CA 0.306 56.600 56.287 0.011 0.000 1.033 298 K CB -0.228 32.285 32.500 0.022 0.000 0.827 298 K HN 0.497 nan 8.250 nan 0.000 0.500 299 A N 0.635 123.456 122.820 0.001 0.000 2.016 299 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 299 A C 2.248 179.821 177.584 -0.018 0.000 1.162 299 A CA 1.348 53.379 52.037 -0.011 0.000 0.662 299 A CB -0.461 18.530 19.000 -0.014 0.000 0.812 299 A HN 0.416 nan 8.150 nan 0.000 0.450 300 G N 0.940 109.734 108.800 -0.010 0.000 2.404 300 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 300 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 300 G C 1.714 176.611 174.900 -0.005 0.000 1.174 300 G CA 0.912 46.007 45.100 -0.009 0.000 0.780 300 G HN 0.695 nan 8.290 nan 0.000 0.537 301 R N 0.163 120.661 120.500 -0.003 0.000 2.120 301 R HA 0.023 4.363 4.340 -0.000 0.000 0.234 301 R C 2.170 178.469 176.300 -0.001 0.000 1.123 301 R CA 1.394 57.492 56.100 -0.003 0.000 0.975 301 R CB -0.835 29.464 30.300 -0.002 0.000 0.866 301 R HN 0.257 nan 8.270 nan 0.000 0.446 302 V N 1.932 121.844 119.914 -0.004 0.000 2.453 302 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 302 V C 2.544 178.642 176.094 0.006 0.000 1.048 302 V CA 1.244 63.539 62.300 -0.009 0.000 1.049 302 V CB -0.492 31.308 31.823 -0.039 0.000 0.672 302 V HN 0.300 nan 8.190 nan 0.000 0.457 303 L N 0.528 121.749 121.223 -0.005 0.000 1.970 303 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 303 L C 2.490 179.403 176.870 0.073 0.000 1.071 303 L CA 2.409 57.259 54.840 0.017 0.000 0.751 303 L CB -1.089 40.968 42.059 -0.003 0.000 0.889 303 L HN 0.457 nan 8.230 nan 0.000 0.432 304 G N -1.137 107.684 108.800 0.035 0.000 2.450 304 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.220 304 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.220 304 G C 1.655 176.566 174.900 0.017 0.000 1.130 304 G CA 0.871 45.984 45.100 0.022 0.000 0.760 304 G HN 0.594 nan 8.290 nan 0.000 0.557 305 A N 0.534 123.367 122.820 0.022 0.000 1.877 305 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 305 A C 2.167 179.765 177.584 0.022 0.000 1.186 305 A CA 1.641 53.680 52.037 0.003 0.000 0.620 305 A CB -0.615 18.388 19.000 0.005 0.000 0.822 305 A HN 0.407 nan 8.150 nan 0.000 0.443 306 F N 0.841 120.745 119.950 -0.076 0.000 2.095 306 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 306 F C 2.272 178.028 175.800 -0.072 0.000 1.104 306 F CA 2.021 59.974 58.000 -0.079 0.000 1.232 306 F CB -0.405 38.548 39.000 -0.078 0.000 0.987 306 F HN 0.033 nan 8.300 nan 0.000 0.475 307 V N 0.443 120.350 119.914 -0.013 0.000 2.287 307 V HA -0.271 3.849 4.120 -0.000 0.000 0.248 307 V C 2.779 178.775 176.094 -0.163 0.000 1.053 307 V CA 2.022 64.261 62.300 -0.101 0.000 1.027 307 V CB -1.740 30.083 31.823 -0.000 0.000 0.646 307 V HN 0.548 nan 8.190 nan 0.000 0.447 308 G N -0.708 108.021 108.800 -0.118 0.000 2.446 308 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 308 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 308 G C 1.641 176.443 174.900 -0.162 0.000 1.168 308 G CA 0.965 45.993 45.100 -0.120 0.000 0.771 308 G HN 0.425 nan 8.290 nan 0.000 0.551 309 L N 0.692 121.794 121.223 -0.201 0.000 2.131 309 L HA -0.072 4.268 4.340 -0.000 0.000 0.210 309 L C 2.997 179.708 176.870 -0.265 0.000 1.092 309 L CA 1.423 56.129 54.840 -0.224 0.000 0.759 309 L CB -0.232 41.686 42.059 -0.235 0.000 0.903 309 L HN 0.234 nan 8.230 nan 0.000 0.435 310 S N -0.029 115.457 115.700 -0.357 0.000 2.355 310 S HA -0.125 4.345 4.470 -0.000 0.000 0.222 310 S C 2.082 176.554 174.600 -0.213 0.000 1.031 310 S CA 1.133 59.124 58.200 -0.348 0.000 0.993 310 S CB -0.247 62.671 63.200 -0.471 0.000 0.859 310 S HN 0.595 nan 8.310 nan 0.000 0.453 311 A N 1.012 123.725 122.820 -0.179 0.000 1.972 311 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 311 A C 2.290 179.807 177.584 -0.110 0.000 1.169 311 A CA 1.306 53.270 52.037 -0.121 0.000 0.635 311 A CB -0.788 18.153 19.000 -0.098 0.000 0.810 311 A HN 0.343 nan 8.150 nan 0.000 0.446 312 V N 0.116 119.954 119.914 -0.127 0.000 2.358 312 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 312 V C 2.575 178.602 176.094 -0.113 0.000 1.047 312 V CA 2.006 64.237 62.300 -0.114 0.000 1.035 312 V CB -0.394 31.353 31.823 -0.126 0.000 0.658 312 V HN 0.616 nan 8.190 nan 0.000 0.452 313 V N -1.753 118.084 119.914 -0.128 0.000 3.461 313 V HA 0.126 4.246 4.120 -0.000 0.000 0.267 313 V C 1.140 177.178 176.094 -0.093 0.000 1.186 313 V CA 0.392 62.624 62.300 -0.114 0.000 1.154 313 V CB -0.756 30.991 31.823 -0.127 0.000 0.802 313 V HN 0.442 nan 8.190 nan 0.000 0.474 314 K N 1.572 121.917 120.400 -0.092 0.000 2.416 314 K HA 0.388 4.708 4.320 -0.000 0.000 0.283 314 K C 1.241 177.806 176.600 -0.057 0.000 1.037 314 K CA 0.790 57.033 56.287 -0.072 0.000 0.995 314 K CB 0.233 32.690 32.500 -0.071 0.000 0.938 314 K HN 0.673 nan 8.250 nan 0.000 0.475 315 G N 3.663 112.435 108.800 -0.047 0.000 2.187 315 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.261 315 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.261 315 G C -0.008 174.868 174.900 -0.040 0.000 1.000 315 G CA 0.215 45.292 45.100 -0.038 0.000 0.718 315 G HN 0.589 nan 8.290 nan 0.000 0.519 316 L N 1.239 122.433 121.223 -0.049 0.000 2.325 316 L HA 0.300 4.640 4.340 -0.000 0.000 0.284 316 L C -1.035 175.807 176.870 -0.045 0.000 1.089 316 L CA -1.619 53.188 54.840 -0.055 0.000 0.836 316 L CB 0.625 42.639 42.059 -0.075 0.000 1.184 316 L HN -0.026 nan 8.230 nan 0.000 0.444 317 P HA -0.074 nan 4.420 nan 0.000 0.269 317 P C -0.355 176.930 177.300 -0.025 0.000 1.205 317 P CA -0.365 62.720 63.100 -0.026 0.000 0.780 317 P CB 0.459 32.146 31.700 -0.021 0.000 0.858 318 L N 1.227 122.443 121.223 -0.011 0.000 2.472 318 L HA 0.447 4.787 4.340 -0.000 0.000 0.260 318 L C 0.602 177.477 176.870 0.007 0.000 1.209 318 L CA 1.222 56.060 54.840 -0.003 0.000 0.817 318 L CB -0.526 41.535 42.059 0.004 0.000 1.106 318 L HN 0.839 nan 8.230 nan 0.000 0.479 319 A N 0.989 123.823 122.820 0.022 0.000 6.137 319 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 319 A C -0.793 176.832 177.584 0.068 0.000 2.421 319 A CA 0.382 52.452 52.037 0.056 0.000 0.693 319 A CB -1.844 17.193 19.000 0.061 0.000 0.817 319 A HN 1.035 nan 8.150 nan 0.000 0.338 320 Y N 1.608 121.912 120.300 0.007 0.000 2.301 320 Y HA 0.577 5.127 4.550 -0.000 0.000 0.328 320 Y C 0.500 176.406 175.900 0.010 0.000 1.242 320 Y CA 0.677 58.783 58.100 0.010 0.000 1.323 320 Y CB 0.818 39.284 38.460 0.010 0.000 1.266 320 Y HN 0.840 nan 8.280 nan 0.000 0.527 321 N N 2.950 121.063 118.700 -0.979 0.000 2.367 321 N HA 0.172 4.912 4.740 -0.000 0.000 0.278 321 N C -0.348 174.632 175.510 -0.884 0.000 1.117 321 N CA -0.843 51.853 53.050 -0.590 0.000 0.867 321 N CB 1.774 40.084 38.487 -0.296 0.000 1.649 321 N HN 0.414 nan 8.380 nan 0.000 0.479 322 K N 0.779 120.974 120.400 -0.342 0.000 2.160 322 K HA -0.124 4.196 4.320 -0.000 0.000 0.206 322 K C 0.290 176.795 176.600 -0.159 0.000 1.047 322 K CA 1.578 57.791 56.287 -0.124 0.000 0.930 322 K CB -0.235 32.292 32.500 0.045 0.000 0.720 322 K HN 0.571 nan 8.250 nan 0.000 0.450 323 D N -0.303 119.986 120.400 -0.184 0.000 2.149 323 D HA -0.195 4.445 4.640 -0.000 0.000 0.194 323 D C 1.166 177.379 176.300 -0.145 0.000 1.001 323 D CA 0.981 54.896 54.000 -0.141 0.000 0.849 323 D CB -0.160 40.558 40.800 -0.137 0.000 0.939 323 D HN 0.066 nan 8.370 nan 0.000 0.449 324 L N 0.440 121.531 121.223 -0.220 0.000 2.642 324 L HA -0.087 4.253 4.340 -0.000 0.000 0.236 324 L C 1.943 178.807 176.870 -0.010 0.000 1.169 324 L CA 1.134 55.891 54.840 -0.139 0.000 0.851 324 L CB -0.797 41.149 42.059 -0.189 0.000 0.968 324 L HN 0.130 nan 8.230 nan 0.000 0.453 325 Q N -0.680 119.130 119.800 0.017 0.000 2.425 325 Q HA -0.064 4.276 4.340 -0.000 0.000 0.204 325 Q C 0.967 177.003 176.000 0.061 0.000 0.933 325 Q CA 0.277 56.151 55.803 0.119 0.000 0.939 325 Q CB 0.390 29.223 28.738 0.158 0.000 1.044 325 Q HN 0.411 nan 8.270 nan 0.000 0.513 326 E N 1.180 121.355 120.200 -0.040 0.000 2.416 326 E HA -0.077 4.273 4.350 -0.000 0.000 0.189 326 E C 0.378 176.898 176.600 -0.134 0.000 1.091 326 E CA 0.394 56.724 56.400 -0.117 0.000 0.889 326 E CB 0.414 30.040 29.700 -0.123 0.000 1.015 326 E HN 0.544 nan 8.360 nan 0.000 0.479 327 D N -0.015 120.336 120.400 -0.082 0.000 2.240 327 D HA -0.089 4.551 4.640 -0.000 0.000 0.206 327 D C 1.540 177.790 176.300 -0.082 0.000 0.963 327 D CA 0.539 54.486 54.000 -0.089 0.000 0.863 327 D CB -0.107 40.658 40.800 -0.058 0.000 0.973 327 D HN 0.010 nan 8.370 nan 0.000 0.501 328 K N 0.487 120.857 120.400 -0.050 0.000 2.031 328 K HA -0.029 4.291 4.320 -0.000 0.000 0.205 328 K C 2.235 178.721 176.600 -0.190 0.000 1.049 328 K CA 1.020 57.280 56.287 -0.044 0.000 0.939 328 K CB 0.049 32.641 32.500 0.154 0.000 0.717 328 K HN 0.165 nan 8.250 nan 0.000 0.438 329 E N 0.521 120.438 120.200 -0.472 0.000 2.038 329 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 329 E C -0.918 175.537 176.600 -0.241 0.000 1.000 329 E CA 1.462 57.565 56.400 -0.496 0.000 0.803 329 E CB -0.759 28.503 29.700 -0.730 0.000 0.750 329 E HN 0.282 nan 8.360 nan 0.000 0.448 330 P HA -0.143 nan 4.420 nan 0.000 0.219 330 P C 1.562 178.825 177.300 -0.063 0.000 1.150 330 P CA 1.093 64.124 63.100 -0.114 0.000 0.814 330 P CB 0.061 31.693 31.700 -0.112 0.000 0.787 331 L N -1.210 119.979 121.223 -0.057 0.000 2.072 331 L HA -0.119 4.221 4.340 -0.000 0.000 0.205 331 L C 2.519 179.412 176.870 0.039 0.000 1.079 331 L CA 0.820 55.662 54.840 0.003 0.000 0.752 331 L CB -0.701 41.372 42.059 0.022 0.000 0.906 331 L HN -0.088 nan 8.230 nan 0.000 0.436 332 L N -0.214 121.013 121.223 0.007 0.000 2.083 332 L HA -0.253 4.087 4.340 -0.000 0.000 0.209 332 L C 2.099 178.994 176.870 0.042 0.000 1.083 332 L CA 1.839 56.702 54.840 0.038 0.000 0.752 332 L CB -0.864 41.185 42.059 -0.017 0.000 0.899 332 L HN 0.285 nan 8.230 nan 0.000 0.433 333 D N -1.122 119.280 120.400 0.003 0.000 2.149 333 D HA -0.099 4.541 4.640 -0.000 0.000 0.201 333 D C 2.137 178.455 176.300 0.029 0.000 0.972 333 D CA 1.087 55.092 54.000 0.007 0.000 0.835 333 D CB 0.244 41.030 40.800 -0.023 0.000 0.966 333 D HN 0.240 nan 8.370 nan 0.000 0.476 334 A N 0.099 122.937 122.820 0.030 0.000 1.872 334 A HA -0.014 4.306 4.320 -0.000 0.000 0.214 334 A C 2.350 179.983 177.584 0.082 0.000 1.187 334 A CA 0.776 52.837 52.037 0.040 0.000 0.614 334 A CB -0.800 18.212 19.000 0.021 0.000 0.826 334 A HN 0.325 nan 8.150 nan 0.000 0.442 335 L N -0.630 120.653 121.223 0.099 0.000 2.012 335 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 335 L C 3.107 180.053 176.870 0.126 0.000 1.073 335 L CA 1.244 56.164 54.840 0.134 0.000 0.748 335 L CB -0.562 41.591 42.059 0.158 0.000 0.891 335 L HN 0.454 nan 8.230 nan 0.000 0.431 336 A N -0.664 122.217 122.820 0.102 0.000 1.933 336 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 336 A C 2.327 179.956 177.584 0.075 0.000 1.175 336 A CA 2.185 54.270 52.037 0.080 0.000 0.628 336 A CB -0.774 18.267 19.000 0.067 0.000 0.814 336 A HN 0.404 nan 8.150 nan 0.000 0.444 337 T N -1.550 113.056 114.554 0.085 0.000 2.668 337 T HA -0.150 4.200 4.350 -0.000 0.000 0.262 337 T C 1.868 176.650 174.700 0.138 0.000 1.045 337 T CA 1.640 63.794 62.100 0.089 0.000 1.152 337 T CB -0.481 68.434 68.868 0.078 0.000 0.864 337 T HN 0.491 nan 8.240 nan 0.000 0.419 338 Y N 2.399 122.701 120.300 0.004 0.000 2.165 338 Y HA -0.095 4.455 4.550 -0.000 0.000 0.286 338 Y C 2.674 178.574 175.900 0.001 0.000 1.155 338 Y CA 1.174 59.273 58.100 -0.001 0.000 1.164 338 Y CB -0.461 37.997 38.460 -0.002 0.000 0.978 338 Y HN 0.013 nan 8.280 nan 0.000 0.513 339 R N 0.195 120.720 120.500 0.042 0.000 2.103 339 R HA -0.218 4.122 4.340 -0.000 0.000 0.234 339 R C 1.826 178.083 176.300 -0.073 0.000 1.132 339 R CA 2.414 58.484 56.100 -0.050 0.000 0.925 339 R CB -0.592 29.715 30.300 0.012 0.000 0.842 339 R HN 0.287 nan 8.270 nan 0.000 0.430 340 D N -0.109 120.280 120.400 -0.018 0.000 2.123 340 D HA -0.110 4.530 4.640 -0.000 0.000 0.196 340 D C 2.057 178.334 176.300 -0.038 0.000 0.992 340 D CA 1.471 55.463 54.000 -0.014 0.000 0.833 340 D CB -0.339 40.470 40.800 0.015 0.000 0.954 340 D HN 0.184 nan 8.370 nan 0.000 0.455 341 S N 0.057 115.734 115.700 -0.039 0.000 2.359 341 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 341 S C 2.141 176.665 174.600 -0.126 0.000 1.035 341 S CA 0.551 58.719 58.200 -0.053 0.000 1.018 341 S CB -0.262 62.941 63.200 0.004 0.000 0.876 341 S HN 0.249 nan 8.310 nan 0.000 0.448 342 L N 0.716 121.800 121.223 -0.231 0.000 2.079 342 L HA -0.136 4.204 4.340 -0.000 0.000 0.210 342 L C 2.785 179.561 176.870 -0.158 0.000 1.081 342 L CA 1.242 55.920 54.840 -0.269 0.000 0.752 342 L CB -0.374 41.432 42.059 -0.422 0.000 0.896 342 L HN 0.235 nan 8.230 nan 0.000 0.433 343 R N -0.573 119.858 120.500 -0.116 0.000 2.057 343 R HA -0.098 4.242 4.340 -0.000 0.000 0.229 343 R C 2.229 178.485 176.300 -0.072 0.000 1.136 343 R CA 0.913 56.970 56.100 -0.072 0.000 0.952 343 R CB -0.336 29.942 30.300 -0.037 0.000 0.848 343 R HN 0.187 nan 8.270 nan 0.000 0.430 344 L N 1.208 122.390 121.223 -0.069 0.000 2.021 344 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 344 L C 2.460 179.180 176.870 -0.251 0.000 1.074 344 L CA 1.761 56.533 54.840 -0.114 0.000 0.760 344 L CB -1.266 40.748 42.059 -0.075 0.000 0.889 344 L HN 0.296 nan 8.230 nan 0.000 0.433 345 L N -0.655 120.456 121.223 -0.187 0.000 2.042 345 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 345 L C 2.659 179.439 176.870 -0.151 0.000 1.076 345 L CA 1.330 56.061 54.840 -0.182 0.000 0.749 345 L CB -0.578 41.408 42.059 -0.122 0.000 0.893 345 L HN 0.279 nan 8.230 nan 0.000 0.432 346 A N -0.518 122.236 122.820 -0.110 0.000 2.070 346 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 346 A C 2.369 179.912 177.584 -0.069 0.000 1.159 346 A CA 1.593 53.589 52.037 -0.069 0.000 0.656 346 A CB -0.428 18.541 19.000 -0.052 0.000 0.800 346 A HN 0.446 nan 8.150 nan 0.000 0.453 347 A N -0.786 121.966 122.820 -0.113 0.000 1.984 347 A HA 0.268 4.588 4.320 -0.000 0.000 0.214 347 A C 2.071 179.536 177.584 -0.198 0.000 1.173 347 A CA 0.950 52.950 52.037 -0.062 0.000 0.673 347 A CB -0.391 18.643 19.000 0.058 0.000 0.830 347 A HN 0.537 nan 8.150 nan 0.000 0.453 348 L N -0.192 120.710 121.223 -0.534 0.000 2.007 348 L HA -0.048 4.292 4.340 -0.000 0.000 0.205 348 L C 2.331 179.092 176.870 -0.181 0.000 1.073 348 L CA 1.204 55.650 54.840 -0.658 0.000 0.744 348 L CB -0.363 41.197 42.059 -0.831 0.000 0.898 348 L HN 0.376 nan 8.230 nan 0.000 0.435 349 L N 0.124 121.298 121.223 -0.083 0.000 2.010 349 L HA -0.243 4.097 4.340 -0.000 0.000 0.219 349 L C -0.143 176.806 176.870 0.131 0.000 1.077 349 L CA 1.866 56.759 54.840 0.090 0.000 0.773 349 L CB -2.324 39.822 42.059 0.146 0.000 0.892 349 L HN 0.297 nan 8.230 nan 0.000 0.436 350 P HA -0.145 nan 4.420 nan 0.000 0.218 350 P C 1.364 178.733 177.300 0.116 0.000 1.148 350 P CA 1.733 64.886 63.100 0.089 0.000 0.822 350 P CB -0.157 31.573 31.700 0.051 0.000 0.784 351 G N -1.578 107.288 108.800 0.110 0.000 2.813 351 G HA2 0.007 3.967 3.960 -0.000 0.000 0.209 351 G HA3 0.007 3.967 3.960 -0.000 0.000 0.209 351 G C 0.435 175.394 174.900 0.100 0.000 1.150 351 G CA -0.057 45.114 45.100 0.120 0.000 0.785 351 G HN 0.117 nan 8.290 nan 0.000 0.535 352 L N 0.669 121.945 121.223 0.088 0.000 2.492 352 L HA 0.436 4.776 4.340 -0.000 0.000 0.280 352 L C 0.682 177.562 176.870 0.015 0.000 1.240 352 L CA 0.317 55.148 54.840 -0.015 0.000 0.831 352 L CB 0.460 42.481 42.059 -0.063 0.000 1.100 352 L HN 0.164 nan 8.230 nan 0.000 0.505 353 K N 3.096 123.433 120.400 -0.105 0.000 2.616 353 K HA 0.396 4.715 4.320 -0.000 0.000 0.241 353 K C -1.294 175.291 176.600 -0.025 0.000 0.961 353 K CA -0.500 55.806 56.287 0.031 0.000 0.942 353 K CB 0.046 32.577 32.500 0.051 0.000 1.153 353 K HN 0.518 nan 8.250 nan 0.000 0.452 354 W N 1.685 123.075 121.300 0.150 0.000 2.287 354 W HA 0.373 5.034 4.660 0.001 0.000 0.313 354 W C 0.892 177.574 176.519 0.272 0.000 1.267 354 W CA -0.588 56.847 57.345 0.150 0.000 1.201 354 W CB 1.109 30.576 29.460 0.012 0.000 1.196 354 W HN 0.502 nan 8.180 nan 0.000 0.536 355 R N 3.591 124.357 120.500 0.445 0.000 2.870 355 R HA 0.121 4.461 4.340 -0.000 0.000 0.254 355 R C 1.672 178.191 176.300 0.364 0.000 1.392 355 R CA -0.486 55.826 56.100 0.354 0.000 1.322 355 R CB 0.151 30.606 30.300 0.259 0.000 1.205 355 R HN 0.593 nan 8.270 nan 0.000 0.597 356 R N 1.950 122.709 120.500 0.431 0.000 2.196 356 R HA -0.300 4.040 4.340 -0.000 0.000 0.259 356 R C 0.961 177.327 176.300 0.111 0.000 1.154 356 R CA 2.211 58.395 56.100 0.140 0.000 0.976 356 R CB 0.154 30.278 30.300 -0.292 0.000 0.888 356 R HN 0.574 nan 8.270 nan 0.000 0.453 357 E N -0.801 119.464 120.200 0.108 0.000 2.014 357 E HA -0.131 4.219 4.350 -0.000 0.000 0.190 357 E C 2.129 178.828 176.600 0.164 0.000 0.980 357 E CA 0.205 56.669 56.400 0.106 0.000 0.807 357 E CB -0.276 29.448 29.700 0.041 0.000 0.770 357 E HN 0.178 nan 8.360 nan 0.000 0.451 358 R N 1.039 121.645 120.500 0.177 0.000 2.133 358 R HA -0.176 4.164 4.340 -0.000 0.000 0.247 358 R C 2.122 178.567 176.300 0.241 0.000 1.151 358 R CA 1.519 57.754 56.100 0.225 0.000 0.971 358 R CB -0.386 30.079 30.300 0.275 0.000 0.866 358 R HN 0.257 nan 8.270 nan 0.000 0.447 359 M N -1.408 118.265 119.600 0.122 0.000 2.062 359 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 359 M C 2.216 178.416 176.300 -0.166 0.000 1.076 359 M CA 1.727 56.850 55.300 -0.296 0.000 1.122 359 M CB -0.775 31.656 32.600 -0.283 0.000 1.312 359 M HN 0.234 nan 8.290 nan 0.000 0.412 360 W N 1.835 123.036 121.300 -0.165 0.000 2.302 360 W HA -0.307 4.353 4.660 -0.000 0.000 0.320 360 W C 2.495 178.950 176.519 -0.107 0.000 1.241 360 W CA 2.200 59.459 57.345 -0.142 0.000 1.264 360 W CB -0.698 28.688 29.460 -0.124 0.000 1.154 360 W HN 0.203 nan 8.180 nan 0.000 0.483 361 R N 0.850 121.514 120.500 0.273 0.000 2.122 361 R HA -0.214 4.126 4.340 -0.000 0.000 0.236 361 R C 2.538 178.871 176.300 0.054 0.000 1.129 361 R CA 3.190 59.396 56.100 0.177 0.000 0.925 361 R CB -1.426 28.958 30.300 0.140 0.000 0.850 361 R HN 0.120 nan 8.270 nan 0.000 0.431 362 A N -0.142 122.708 122.820 0.050 0.000 1.978 362 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 362 A C 2.325 179.858 177.584 -0.084 0.000 1.170 362 A CA 1.915 53.971 52.037 0.031 0.000 0.636 362 A CB -1.026 18.092 19.000 0.197 0.000 0.810 362 A HN 0.548 nan 8.150 nan 0.000 0.448 363 A N -0.053 122.648 122.820 -0.199 0.000 1.841 363 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 363 A C 1.420 178.863 177.584 -0.234 0.000 1.199 363 A CA 1.385 53.244 52.037 -0.297 0.000 0.621 363 A CB -0.470 18.244 19.000 -0.478 0.000 0.835 363 A HN 0.587 nan 8.150 nan 0.000 0.445 364 E N 0.558 120.622 120.200 -0.228 0.000 1.865 364 E HA 0.343 4.693 4.350 -0.000 0.000 0.269 364 E C 0.326 176.869 176.600 -0.095 0.000 1.177 364 E CA -0.012 56.300 56.400 -0.147 0.000 0.932 364 E CB -0.138 29.504 29.700 -0.095 0.000 1.066 364 E HN 0.338 nan 8.360 nan 0.000 0.405 365 G N 2.831 111.573 108.800 -0.098 0.000 3.782 365 G HA2 0.327 4.287 3.960 -0.000 0.000 0.288 365 G HA3 0.327 4.287 3.960 -0.000 0.000 0.288 365 G C 0.966 175.763 174.900 -0.171 0.000 1.300 365 G CA 0.059 45.105 45.100 -0.091 0.000 1.261 365 G HN 0.814 nan 8.290 nan 0.000 0.591 366 G N -0.070 108.588 108.800 -0.238 0.000 2.435 366 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.245 366 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.245 366 G C 0.921 175.416 174.900 -0.674 0.000 1.073 366 G CA 1.155 45.960 45.100 -0.491 0.000 0.638 366 G HN 0.613 nan 8.290 nan 0.000 0.521 367 Y N -0.543 119.738 120.300 -0.032 0.000 2.425 367 Y HA 0.193 4.743 4.550 -0.000 0.000 0.261 367 Y C 2.760 178.635 175.900 -0.040 0.000 1.084 367 Y CA 0.626 58.704 58.100 -0.036 0.000 1.248 367 Y CB 0.080 38.522 38.460 -0.030 0.000 1.270 367 Y HN 0.200 nan 8.280 nan 0.000 0.524 368 T N 1.655 116.244 114.554 0.058 0.000 2.635 368 T HA -0.267 4.083 4.350 -0.000 0.000 0.265 368 T C 1.388 176.090 174.700 0.004 0.000 1.058 368 T CA 2.069 64.175 62.100 0.010 0.000 1.162 368 T CB -0.518 68.317 68.868 -0.055 0.000 0.859 368 T HN 0.110 nan 8.240 nan 0.000 0.449 369 L N 0.859 122.076 121.223 -0.009 0.000 2.610 369 L HA 0.324 4.664 4.340 -0.000 0.000 0.232 369 L C 2.397 179.276 176.870 0.015 0.000 1.149 369 L CA 0.408 55.242 54.840 -0.010 0.000 0.872 369 L CB -0.872 41.169 42.059 -0.029 0.000 0.992 369 L HN 0.201 nan 8.230 nan 0.000 0.447 370 A N -1.068 121.774 122.820 0.037 0.000 2.216 370 A HA -0.094 4.225 4.320 -0.000 0.000 0.214 370 A C 2.229 179.830 177.584 0.029 0.000 1.160 370 A CA 1.592 53.649 52.037 0.033 0.000 0.725 370 A CB -0.690 18.335 19.000 0.043 0.000 0.784 370 A HN 0.394 nan 8.150 nan 0.000 0.472 371 T N -0.438 114.140 114.554 0.039 0.000 3.014 371 T HA -0.021 4.329 4.350 -0.000 0.000 0.263 371 T C 1.598 176.344 174.700 0.077 0.000 1.078 371 T CA 0.894 63.030 62.100 0.061 0.000 1.135 371 T CB -0.042 68.863 68.868 0.062 0.000 0.895 371 T HN 0.430 nan 8.240 nan 0.000 0.480 372 E N 1.253 121.490 120.200 0.062 0.000 2.274 372 E HA 0.092 4.442 4.350 -0.000 0.000 0.194 372 E C 2.001 178.680 176.600 0.132 0.000 0.996 372 E CA 0.441 56.888 56.400 0.078 0.000 0.840 372 E CB -0.123 29.603 29.700 0.042 0.000 0.772 372 E HN 0.491 nan 8.360 nan 0.000 0.491 373 L N -0.128 121.178 121.223 0.138 0.000 2.270 373 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 373 L C 2.391 179.416 176.870 0.257 0.000 1.104 373 L CA 0.701 55.697 54.840 0.259 0.000 0.804 373 L CB -0.337 41.879 42.059 0.261 0.000 0.937 373 L HN 0.013 nan 8.230 nan 0.000 0.450 374 A N 0.058 122.973 122.820 0.157 0.000 1.897 374 A HA -0.172 4.148 4.320 -0.000 0.000 0.215 374 A C 1.740 179.402 177.584 0.129 0.000 1.181 374 A CA 1.571 53.683 52.037 0.125 0.000 0.620 374 A CB -0.380 18.707 19.000 0.146 0.000 0.821 374 A HN 0.286 nan 8.150 nan 0.000 0.443 375 D N -2.019 118.466 120.400 0.141 0.000 2.350 375 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 375 D C 1.281 177.653 176.300 0.120 0.000 0.968 375 D CA 0.734 54.802 54.000 0.113 0.000 0.894 375 D CB -0.186 40.672 40.800 0.097 0.000 0.909 375 D HN 0.632 nan 8.370 nan 0.000 0.520 376 Y N 1.014 121.325 120.300 0.018 0.000 2.159 376 Y HA 0.016 4.566 4.550 0.000 0.000 0.285 376 Y C 2.027 177.874 175.900 -0.088 0.000 1.106 376 Y CA 0.976 59.074 58.100 -0.003 0.000 1.095 376 Y CB -0.529 37.970 38.460 0.064 0.000 1.015 376 Y HN -0.187 nan 8.280 nan 0.000 0.491 377 L N 0.390 121.508 121.223 -0.174 0.000 2.064 377 L HA -0.338 4.002 4.340 -0.000 0.000 0.216 377 L C 2.661 179.378 176.870 -0.254 0.000 1.077 377 L CA 1.614 56.225 54.840 -0.381 0.000 0.766 377 L CB -1.194 40.609 42.059 -0.426 0.000 0.890 377 L HN 0.423 nan 8.230 nan 0.000 0.435 378 A N -0.778 121.975 122.820 -0.111 0.000 1.969 378 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 378 A C 2.291 179.844 177.584 -0.053 0.000 1.169 378 A CA 1.614 53.634 52.037 -0.029 0.000 0.635 378 A CB -0.387 18.668 19.000 0.093 0.000 0.810 378 A HN 0.478 nan 8.150 nan 0.000 0.445 379 E N -0.284 119.860 120.200 -0.094 0.000 2.107 379 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 379 E C 1.208 177.720 176.600 -0.147 0.000 0.982 379 E CA 0.584 56.927 56.400 -0.094 0.000 0.809 379 E CB 0.017 29.668 29.700 -0.081 0.000 0.756 379 E HN 0.222 nan 8.360 nan 0.000 0.459 380 K N -0.535 119.707 120.400 -0.263 0.000 2.585 380 K HA -0.062 4.258 4.320 -0.000 0.000 0.194 380 K C 1.086 177.594 176.600 -0.153 0.000 1.037 380 K CA 0.944 57.070 56.287 -0.269 0.000 0.964 380 K CB 0.491 32.730 32.500 -0.436 0.000 0.787 380 K HN 0.388 nan 8.250 nan 0.000 0.488 381 G N -0.034 108.700 108.800 -0.111 0.000 2.284 381 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.201 381 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.201 381 G C -0.119 174.754 174.900 -0.044 0.000 0.998 381 G CA -0.391 44.673 45.100 -0.060 0.000 0.651 381 G HN 0.209 nan 8.290 nan 0.000 0.489 382 L N 3.378 124.556 121.223 -0.075 0.000 2.416 382 L HA 0.389 4.729 4.340 -0.000 0.000 0.272 382 L C -1.552 175.307 176.870 -0.019 0.000 1.161 382 L CA -1.138 53.665 54.840 -0.062 0.000 0.845 382 L CB 0.414 42.383 42.059 -0.150 0.000 1.119 382 L HN 0.069 nan 8.230 nan 0.000 0.464 383 P HA -0.052 nan 4.420 nan 0.000 0.266 383 P C 0.716 178.000 177.300 -0.027 0.000 1.215 383 P CA -0.111 62.991 63.100 0.004 0.000 0.763 383 P CB 0.131 31.807 31.700 -0.040 0.000 0.806 384 F N 4.350 124.294 119.950 -0.010 0.000 2.085 384 F HA -0.335 4.192 4.527 -0.000 0.000 0.299 384 F C 2.404 178.224 175.800 0.034 0.000 1.096 384 F CA 2.439 60.444 58.000 0.007 0.000 1.227 384 F CB -1.768 37.234 39.000 0.003 0.000 0.983 384 F HN 0.235 nan 8.300 nan 0.000 0.482 385 R N 0.601 120.232 120.500 -1.449 0.000 2.185 385 R HA -0.196 4.144 4.340 -0.000 0.000 0.247 385 R C 2.165 178.286 176.300 -0.299 0.000 1.159 385 R CA 2.076 57.578 56.100 -0.997 0.000 0.988 385 R CB -1.841 27.918 30.300 -0.901 0.000 0.871 385 R HN 0.819 nan 8.270 nan 0.000 0.458 386 E N -1.237 118.860 120.200 -0.172 0.000 2.127 386 E HA 0.150 4.500 4.350 -0.000 0.000 0.191 386 E C 2.402 179.036 176.600 0.058 0.000 0.964 386 E CA 0.571 56.983 56.400 0.019 0.000 0.832 386 E CB -0.191 29.516 29.700 0.012 0.000 0.790 386 E HN 0.483 nan 8.360 nan 0.000 0.465 387 A N 2.066 124.884 122.820 -0.002 0.000 1.892 387 A HA -0.287 4.033 4.320 -0.000 0.000 0.218 387 A C 2.230 179.847 177.584 0.056 0.000 1.188 387 A CA 2.003 54.024 52.037 -0.027 0.000 0.631 387 A CB -1.264 17.728 19.000 -0.013 0.000 0.822 387 A HN 0.596 nan 8.150 nan 0.000 0.447 388 H N -1.243 117.848 119.070 0.036 0.000 2.421 388 H HA -0.210 4.346 4.556 -0.000 0.000 0.298 388 H C 1.948 177.325 175.328 0.082 0.000 1.087 388 H CA 2.232 58.323 56.048 0.072 0.000 1.330 388 H CB -0.378 29.451 29.762 0.112 0.000 1.388 388 H HN 0.715 nan 8.280 nan 0.000 0.526 389 H N 0.438 119.597 119.070 0.149 0.000 2.436 389 H HA 0.010 4.566 4.556 -0.000 0.000 0.294 389 H C 2.267 177.612 175.328 0.028 0.000 1.048 389 H CA 1.425 57.527 56.048 0.090 0.000 1.353 389 H CB -0.228 29.581 29.762 0.079 0.000 1.414 389 H HN 0.129 nan 8.280 nan 0.000 0.536 390 V N 0.724 120.553 119.914 -0.141 0.000 2.270 390 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 390 V C 2.789 178.780 176.094 -0.172 0.000 1.043 390 V CA 1.659 63.877 62.300 -0.136 0.000 1.014 390 V CB -0.902 30.887 31.823 -0.055 0.000 0.645 390 V HN 0.561 nan 8.190 nan 0.000 0.447 391 V N 0.079 119.897 119.914 -0.160 0.000 2.568 391 V HA -0.133 3.987 4.120 -0.000 0.000 0.253 391 V C 2.375 178.352 176.094 -0.195 0.000 1.072 391 V CA 2.150 64.342 62.300 -0.180 0.000 1.084 391 V CB -1.911 29.857 31.823 -0.091 0.000 0.676 391 V HN 0.440 nan 8.190 nan 0.000 0.469 392 G N 0.518 109.205 108.800 -0.189 0.000 2.446 392 G HA2 -0.236 3.723 3.960 -0.000 0.000 0.217 392 G HA3 -0.236 3.723 3.960 -0.000 0.000 0.217 392 G C 1.724 176.566 174.900 -0.096 0.000 1.168 392 G CA 0.989 46.001 45.100 -0.146 0.000 0.771 392 G HN 0.516 nan 8.290 nan 0.000 0.551 393 R N -0.284 120.178 120.500 -0.063 0.000 2.096 393 R HA -0.038 4.302 4.340 -0.000 0.000 0.240 393 R C 2.577 178.949 176.300 0.120 0.000 1.139 393 R CA 1.273 57.413 56.100 0.068 0.000 0.952 393 R CB -0.705 29.732 30.300 0.229 0.000 0.854 393 R HN 0.359 nan 8.270 nan 0.000 0.436 394 L N 0.976 122.212 121.223 0.023 0.000 1.955 394 L HA -0.222 4.118 4.340 -0.000 0.000 0.213 394 L C 2.599 179.439 176.870 -0.051 0.000 1.072 394 L CA 1.912 56.724 54.840 -0.047 0.000 0.755 394 L CB -0.543 41.323 42.059 -0.322 0.000 0.888 394 L HN 0.200 nan 8.230 nan 0.000 0.432 395 V N -1.156 118.682 119.914 -0.126 0.000 2.282 395 V HA -0.333 3.787 4.120 -0.000 0.000 0.249 395 V C 2.940 178.880 176.094 -0.256 0.000 1.057 395 V CA 2.560 64.718 62.300 -0.237 0.000 1.032 395 V CB -1.786 29.825 31.823 -0.353 0.000 0.645 395 V HN 0.584 nan 8.190 nan 0.000 0.447 396 R N 0.710 121.112 120.500 -0.163 0.000 2.094 396 R HA -0.126 4.214 4.340 -0.000 0.000 0.239 396 R C 2.540 178.803 176.300 -0.062 0.000 1.137 396 R CA 2.331 58.363 56.100 -0.112 0.000 0.943 396 R CB -1.506 28.762 30.300 -0.054 0.000 0.850 396 R HN 0.743 nan 8.270 nan 0.000 0.433 397 R N 0.162 120.653 120.500 -0.015 0.000 2.241 397 R HA 0.069 4.409 4.340 -0.000 0.000 0.224 397 R C 2.203 178.514 176.300 0.019 0.000 1.101 397 R CA 1.209 57.318 56.100 0.014 0.000 0.995 397 R CB -0.353 29.977 30.300 0.049 0.000 0.870 397 R HN 0.534 nan 8.270 nan 0.000 0.463 398 L N -0.661 120.570 121.223 0.012 0.000 2.102 398 L HA -0.068 4.272 4.340 -0.000 0.000 0.202 398 L C 2.265 179.192 176.870 0.095 0.000 1.076 398 L CA 0.530 55.416 54.840 0.077 0.000 0.761 398 L CB -0.345 41.819 42.059 0.175 0.000 0.921 398 L HN 0.005 nan 8.230 nan 0.000 0.444 399 V N 0.677 120.599 119.914 0.013 0.000 2.392 399 V HA -0.291 3.829 4.120 -0.000 0.000 0.249 399 V C 3.014 179.133 176.094 0.041 0.000 1.059 399 V CA 2.319 64.645 62.300 0.044 0.000 1.051 399 V CB -1.163 30.617 31.823 -0.072 0.000 0.658 399 V HN 0.635 nan 8.190 nan 0.000 0.455 400 E N -0.254 119.956 120.200 0.016 0.000 2.152 400 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 400 E C 1.869 178.485 176.600 0.026 0.000 0.983 400 E CA 1.257 57.667 56.400 0.017 0.000 0.818 400 E CB -0.459 29.245 29.700 0.008 0.000 0.758 400 E HN 0.804 nan 8.360 nan 0.000 0.467 401 E N -1.131 119.090 120.200 0.035 0.000 2.476 401 E HA 0.305 4.655 4.350 -0.000 0.000 0.191 401 E C 1.087 177.712 176.600 0.041 0.000 1.064 401 E CA 0.089 56.509 56.400 0.034 0.000 0.866 401 E CB 0.283 30.003 29.700 0.033 0.000 0.952 401 E HN 0.554 nan 8.360 nan 0.000 0.492 402 G N 2.271 111.105 108.800 0.056 0.000 2.258 402 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.274 402 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.274 402 G C 0.111 175.046 174.900 0.058 0.000 1.021 402 G CA 0.497 45.633 45.100 0.059 0.000 0.798 402 G HN 0.174 nan 8.290 nan 0.000 0.507 403 R N -0.555 119.993 120.500 0.079 0.000 2.674 403 R HA 0.765 5.105 4.340 -0.000 0.000 0.266 403 R C 1.048 177.385 176.300 0.062 0.000 1.016 403 R CA -0.236 55.897 56.100 0.056 0.000 1.062 403 R CB 1.183 31.511 30.300 0.047 0.000 1.142 403 R HN 0.301 nan 8.270 nan 0.000 0.517 404 A N 0.974 123.778 122.820 -0.027 0.000 3.155 404 A HA 0.265 4.585 4.320 -0.000 0.000 0.170 404 A C 0.751 178.295 177.584 -0.066 0.000 2.084 404 A CA 0.123 52.074 52.037 -0.143 0.000 1.019 404 A CB -0.091 18.826 19.000 -0.137 0.000 1.912 404 A HN 0.682 nan 8.150 nan 0.000 0.816 405 L N -2.420 118.744 121.223 -0.099 0.000 3.699 405 L HA 0.215 4.555 4.340 -0.000 0.000 0.344 405 L C 1.541 178.374 176.870 -0.062 0.000 1.196 405 L CA 0.599 55.414 54.840 -0.041 0.000 1.202 405 L CB 0.033 42.083 42.059 -0.014 0.000 1.592 405 L HN 0.765 nan 8.230 nan 0.000 0.631 406 K N -1.860 118.497 120.400 -0.071 0.000 2.361 406 K HA 0.147 4.467 4.320 -0.000 0.000 0.196 406 K C 0.638 177.209 176.600 -0.049 0.000 1.039 406 K CA 0.821 57.075 56.287 -0.055 0.000 1.001 406 K CB 0.110 32.581 32.500 -0.048 0.000 0.795 406 K HN 0.093 nan 8.250 nan 0.000 0.495 407 D N 0.923 121.295 120.400 -0.048 0.000 2.271 407 D HA 0.027 4.667 4.640 -0.000 0.000 0.206 407 D C 0.536 176.811 176.300 -0.041 0.000 0.967 407 D CA 0.101 54.079 54.000 -0.038 0.000 0.867 407 D CB 0.110 40.893 40.800 -0.029 0.000 0.960 407 D HN 0.049 nan 8.370 nan 0.000 0.509 408 L N 1.974 123.167 121.223 -0.050 0.000 2.605 408 L HA -0.046 4.294 4.340 -0.000 0.000 0.296 408 L C 0.792 177.617 176.870 -0.074 0.000 1.255 408 L CA 1.171 55.971 54.840 -0.066 0.000 0.879 408 L CB -0.017 41.980 42.059 -0.104 0.000 1.124 408 L HN 0.126 nan 8.230 nan 0.000 0.507 409 T N 1.118 115.631 114.554 -0.068 0.000 2.856 409 T HA 0.300 4.650 4.350 -0.000 0.000 0.283 409 T C 1.245 175.900 174.700 -0.073 0.000 1.008 409 T CA -0.844 61.221 62.100 -0.060 0.000 0.997 409 T CB 1.580 70.426 68.868 -0.035 0.000 0.992 409 T HN 0.587 nan 8.240 nan 0.000 0.454 410 L N 0.811 121.994 121.223 -0.067 0.000 2.123 410 L HA -0.238 4.102 4.340 -0.000 0.000 0.217 410 L C 2.242 179.095 176.870 -0.028 0.000 1.081 410 L CA 2.001 56.806 54.840 -0.057 0.000 0.772 410 L CB -0.228 41.816 42.059 -0.025 0.000 0.890 410 L HN 0.762 nan 8.230 nan 0.000 0.437 411 E N 0.264 120.455 120.200 -0.015 0.000 2.028 411 E HA -0.199 4.151 4.350 -0.000 0.000 0.190 411 E C 1.998 178.604 176.600 0.009 0.000 0.984 411 E CA 1.575 57.979 56.400 0.007 0.000 0.800 411 E CB -0.221 29.482 29.700 0.005 0.000 0.758 411 E HN 0.567 nan 8.360 nan 0.000 0.448 412 E N 0.360 120.555 120.200 -0.008 0.000 2.187 412 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 412 E C 2.084 178.690 176.600 0.009 0.000 1.004 412 E CA 0.889 57.291 56.400 0.003 0.000 0.813 412 E CB -0.232 29.459 29.700 -0.014 0.000 0.736 412 E HN 0.216 nan 8.360 nan 0.000 0.468 413 L N 0.671 121.854 121.223 -0.067 0.000 1.993 413 L HA -0.207 4.133 4.340 -0.000 0.000 0.206 413 L C 2.624 179.568 176.870 0.124 0.000 1.074 413 L CA 1.329 56.066 54.840 -0.171 0.000 0.746 413 L CB -0.412 41.396 42.059 -0.418 0.000 0.896 413 L HN 0.089 nan 8.230 nan 0.000 0.435 414 Q N -0.236 119.646 119.800 0.136 0.000 2.248 414 Q HA -0.229 4.111 4.340 -0.000 0.000 0.208 414 Q C 2.282 178.380 176.000 0.164 0.000 0.984 414 Q CA 1.448 57.369 55.803 0.197 0.000 0.875 414 Q CB -0.303 28.509 28.738 0.122 0.000 0.910 414 Q HN 0.574 nan 8.270 nan 0.000 0.433 415 A N 0.805 123.697 122.820 0.120 0.000 1.858 415 A HA -0.234 4.086 4.320 -0.000 0.000 0.216 415 A C 1.958 179.610 177.584 0.112 0.000 1.190 415 A CA 1.512 53.598 52.037 0.082 0.000 0.617 415 A CB -0.782 18.247 19.000 0.049 0.000 0.827 415 A HN 0.376 nan 8.150 nan 0.000 0.443 416 H N -1.431 117.710 119.070 0.118 0.000 2.353 416 H HA -0.084 4.472 4.556 -0.000 0.000 0.300 416 H C -0.137 175.349 175.328 0.264 0.000 1.090 416 H CA 1.829 57.977 56.048 0.167 0.000 1.327 416 H CB -0.002 29.867 29.762 0.178 0.000 1.383 416 H HN 0.553 nan 8.280 nan 0.000 0.508 417 H N -0.666 118.662 119.070 0.429 0.000 3.278 417 H HA 0.111 4.667 4.556 -0.000 0.000 0.326 417 H C -2.026 173.434 175.328 0.220 0.000 1.113 417 H CA -1.215 55.000 56.048 0.278 0.000 1.553 417 H CB 1.751 31.642 29.762 0.216 0.000 1.997 417 H HN 0.045 nan 8.280 nan 0.000 0.456 418 P HA -0.215 nan 4.420 nan 0.000 0.221 418 P C 1.533 178.931 177.300 0.163 0.000 1.153 418 P CA 0.965 64.100 63.100 0.058 0.000 0.858 418 P CB 0.461 32.114 31.700 -0.080 0.000 0.783 419 L N -2.867 118.520 121.223 0.272 0.000 2.362 419 L HA -0.035 4.305 4.340 -0.000 0.000 0.219 419 L C 1.159 178.115 176.870 0.144 0.000 1.134 419 L CA 0.168 55.090 54.840 0.136 0.000 0.807 419 L CB -0.707 41.372 42.059 0.033 0.000 0.927 419 L HN -0.147 nan 8.230 nan 0.000 0.447 420 F N 0.732 120.881 119.950 0.331 0.000 2.506 420 F HA 0.243 4.770 4.527 -0.000 0.000 0.371 420 F C 0.830 176.783 175.800 0.256 0.000 1.078 420 F CA -0.518 57.706 58.000 0.374 0.000 1.195 420 F CB 0.119 39.252 39.000 0.222 0.000 1.099 420 F HN -0.110 nan 8.300 nan 0.000 0.548 421 A N 3.368 126.505 122.820 0.529 0.000 2.452 421 A HA 0.405 4.725 4.320 -0.000 0.000 0.285 421 A C 1.318 179.016 177.584 0.191 0.000 1.209 421 A CA -0.476 51.743 52.037 0.304 0.000 0.940 421 A CB 0.530 19.701 19.000 0.285 0.000 1.440 421 A HN 0.717 nan 8.150 nan 0.000 0.480 422 E N -0.485 119.787 120.200 0.120 0.000 2.216 422 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 422 E C 0.519 177.140 176.600 0.034 0.000 0.988 422 E CA 1.194 57.627 56.400 0.055 0.000 0.834 422 E CB -0.099 29.627 29.700 0.044 0.000 0.772 422 E HN 0.703 nan 8.360 nan 0.000 0.479 423 D N 0.012 120.460 120.400 0.080 0.000 2.392 423 D HA -0.104 4.536 4.640 -0.000 0.000 0.228 423 D C 1.097 177.393 176.300 -0.006 0.000 1.003 423 D CA 0.739 54.781 54.000 0.070 0.000 0.917 423 D CB 0.111 40.996 40.800 0.141 0.000 0.890 423 D HN 0.199 nan 8.370 nan 0.000 0.532 424 A N -0.071 122.672 122.820 -0.129 0.000 2.303 424 A HA 0.182 4.502 4.320 -0.000 0.000 0.217 424 A C 1.901 179.342 177.584 -0.239 0.000 1.205 424 A CA -0.252 51.553 52.037 -0.386 0.000 0.875 424 A CB -0.092 18.421 19.000 -0.812 0.000 0.910 424 A HN 0.151 nan 8.150 nan 0.000 0.501 425 L N -0.018 121.121 121.223 -0.140 0.000 2.083 425 L HA -0.049 4.291 4.340 -0.000 0.000 0.209 425 L C -0.876 175.944 176.870 -0.083 0.000 1.083 425 L CA 1.805 56.577 54.840 -0.113 0.000 0.752 425 L CB -2.340 39.675 42.059 -0.074 0.000 0.899 425 L HN 0.184 nan 8.230 nan 0.000 0.433 426 P HA -0.048 nan 4.420 nan 0.000 0.239 426 P C 1.562 178.847 177.300 -0.025 0.000 1.184 426 P CA 0.786 63.868 63.100 -0.029 0.000 0.760 426 P CB 0.014 31.704 31.700 -0.015 0.000 0.884 427 L N -2.182 119.006 121.223 -0.058 0.000 2.628 427 L HA 0.094 4.434 4.340 -0.000 0.000 0.229 427 L C 1.011 177.852 176.870 -0.049 0.000 1.137 427 L CA 0.094 54.906 54.840 -0.048 0.000 0.909 427 L CB -0.146 41.868 42.059 -0.074 0.000 1.137 427 L HN 0.002 nan 8.230 nan 0.000 0.470 428 L N -0.300 120.891 121.223 -0.054 0.000 2.515 428 L HA 0.169 4.509 4.340 -0.000 0.000 0.223 428 L C 1.381 178.234 176.870 -0.029 0.000 1.079 428 L CA 0.579 55.388 54.840 -0.052 0.000 0.857 428 L CB -0.434 41.582 42.059 -0.072 0.000 1.050 428 L HN 0.107 nan 8.230 nan 0.000 0.476 429 R N 0.084 120.580 120.500 -0.006 0.000 2.343 429 R HA 0.435 4.775 4.340 -0.000 0.000 0.320 429 R C 0.795 177.134 176.300 0.064 0.000 0.956 429 R CA -0.356 55.763 56.100 0.031 0.000 0.836 429 R CB -0.112 30.210 30.300 0.037 0.000 1.151 429 R HN 0.056 nan 8.270 nan 0.000 0.450 430 L N 1.473 122.739 121.223 0.072 0.000 2.197 430 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 430 L C 1.678 178.657 176.870 0.182 0.000 1.095 430 L CA 2.215 57.072 54.840 0.027 0.000 0.764 430 L CB -0.195 41.784 42.059 -0.134 0.000 0.897 430 L HN 0.867 nan 8.230 nan 0.000 0.436 431 E N -0.871 119.528 120.200 0.333 0.000 2.097 431 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 431 E C 2.141 178.889 176.600 0.248 0.000 1.000 431 E CA 2.141 58.745 56.400 0.340 0.000 0.804 431 E CB -0.561 29.240 29.700 0.169 0.000 0.740 431 E HN 0.767 nan 8.360 nan 0.000 0.454 432 T N -3.111 111.546 114.554 0.172 0.000 3.056 432 T HA 0.333 4.683 4.350 -0.000 0.000 0.241 432 T C 2.072 176.878 174.700 0.177 0.000 1.006 432 T CA 0.372 62.574 62.100 0.169 0.000 1.115 432 T CB -0.365 68.546 68.868 0.071 0.000 0.939 432 T HN 0.124 nan 8.240 nan 0.000 0.462 433 A N 1.807 124.679 122.820 0.086 0.000 2.024 433 A HA 0.107 4.427 4.320 -0.000 0.000 0.220 433 A C 2.160 179.756 177.584 0.019 0.000 1.164 433 A CA 0.930 52.993 52.037 0.043 0.000 0.643 433 A CB -1.024 17.976 19.000 -0.000 0.000 0.806 433 A HN 0.520 nan 8.150 nan 0.000 0.451 434 I N -0.152 120.406 120.570 -0.019 0.000 3.294 434 I HA -0.145 4.025 4.170 -0.000 0.000 0.287 434 I C 0.923 176.903 176.117 -0.229 0.000 1.328 434 I CA 1.218 62.425 61.300 -0.156 0.000 1.375 434 I CB -0.800 37.057 38.000 -0.238 0.000 1.045 434 I HN 0.423 nan 8.210 nan 0.000 0.522 435 H N -0.795 118.258 119.070 -0.029 0.000 2.652 435 H HA 0.189 4.745 4.556 0.000 0.000 0.274 435 H C 1.784 177.102 175.328 -0.018 0.000 1.021 435 H CA -0.274 55.761 56.048 -0.022 0.000 1.187 435 H CB 0.624 30.383 29.762 -0.005 0.000 1.505 435 H HN 0.208 nan 8.280 nan 0.000 0.530 436 R N 1.313 121.855 120.500 0.071 0.000 2.070 436 R HA -0.020 4.320 4.340 -0.000 0.000 0.232 436 R C 0.857 177.171 176.300 0.023 0.000 1.138 436 R CA 0.664 56.794 56.100 0.050 0.000 0.936 436 R CB -0.128 30.195 30.300 0.038 0.000 0.839 436 R HN 0.180 nan 8.270 nan 0.000 0.429 437 R N 2.697 123.188 120.500 -0.014 0.000 4.045 437 R HA -0.043 4.297 4.340 -0.000 0.000 0.174 437 R C 0.645 176.920 176.300 -0.042 0.000 1.805 437 R CA 0.216 56.298 56.100 -0.031 0.000 1.368 437 R CB -0.731 29.532 30.300 -0.062 0.000 1.362 437 R HN 0.362 nan 8.270 nan 0.000 0.777 438 R N -0.963 119.533 120.500 -0.007 0.000 2.568 438 R HA 0.102 4.441 4.340 -0.000 0.000 0.288 438 R C -0.179 176.128 176.300 0.011 0.000 1.077 438 R CA -0.250 55.846 56.100 -0.005 0.000 1.102 438 R CB 0.233 30.547 30.300 0.023 0.000 1.278 438 R HN 0.111 nan 8.270 nan 0.000 0.560 439 S N -0.155 115.554 115.700 0.014 0.000 2.617 439 S HA 0.077 4.546 4.470 -0.000 0.000 0.269 439 S C -0.231 174.413 174.600 0.074 0.000 1.292 439 S CA -0.920 57.313 58.200 0.054 0.000 1.010 439 S CB 0.578 63.809 63.200 0.051 0.000 0.944 439 S HN 0.334 nan 8.310 nan 0.000 0.536 440 Y N 1.759 122.061 120.300 0.003 0.000 2.865 440 Y HA 0.262 4.812 4.550 0.000 0.000 0.338 440 Y C 1.575 177.490 175.900 0.024 0.000 1.269 440 Y CA 1.686 59.793 58.100 0.012 0.000 1.585 440 Y CB -0.527 37.941 38.460 0.013 0.000 1.224 440 Y HN 1.267 nan 8.280 nan 0.000 0.554 441 G N 3.361 111.960 108.800 -0.335 0.000 2.148 441 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.254 441 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.254 441 G C 0.478 175.385 174.900 0.012 0.000 0.981 441 G CA 0.055 45.074 45.100 -0.136 0.000 0.670 441 G HN 1.218 nan 8.290 nan 0.000 0.528 442 G N -1.468 107.274 108.800 -0.098 0.000 2.599 442 G HA2 0.476 4.436 3.960 -0.000 0.000 0.264 442 G HA3 0.476 4.436 3.960 -0.000 0.000 0.264 442 G C 0.989 175.586 174.900 -0.505 0.000 1.200 442 G CA 0.914 45.919 45.100 -0.158 0.000 0.896 442 G HN 0.716 nan 8.290 nan 0.000 0.536 443 T N -0.335 113.915 114.554 -0.505 0.000 3.113 443 T HA 0.294 4.644 4.350 -0.000 0.000 0.256 443 T C 1.425 175.887 174.700 -0.397 0.000 1.131 443 T CA 0.774 62.456 62.100 -0.696 0.000 1.074 443 T CB -0.664 68.036 68.868 -0.279 0.000 0.944 443 T HN 0.834 nan 8.240 nan 0.000 0.516 444 A N 2.247 124.903 122.820 -0.275 0.000 2.546 444 A HA 0.348 4.668 4.320 -0.000 0.000 0.243 444 A C -0.884 176.581 177.584 -0.199 0.000 1.063 444 A CA -0.975 50.937 52.037 -0.207 0.000 0.757 444 A CB 0.121 19.056 19.000 -0.108 0.000 0.991 444 A HN 0.251 nan 8.150 nan 0.000 0.503 445 P HA -0.252 nan 4.420 nan 0.000 0.219 445 P C 1.465 178.734 177.300 -0.053 0.000 1.161 445 P CA 1.662 64.682 63.100 -0.134 0.000 0.909 445 P CB 0.241 31.838 31.700 -0.171 0.000 0.793 446 E N -0.768 119.430 120.200 -0.003 0.000 2.110 446 E HA -0.173 4.177 4.350 -0.000 0.000 0.193 446 E C 1.943 178.529 176.600 -0.025 0.000 0.988 446 E CA 1.561 57.969 56.400 0.013 0.000 0.804 446 E CB -0.740 28.988 29.700 0.047 0.000 0.745 446 E HN 0.076 nan 8.360 nan 0.000 0.458 447 A N 0.494 123.277 122.820 -0.061 0.000 1.845 447 A HA -0.164 4.156 4.320 -0.000 0.000 0.215 447 A C 2.636 180.152 177.584 -0.113 0.000 1.195 447 A CA 1.895 53.873 52.037 -0.099 0.000 0.616 447 A CB -1.000 17.914 19.000 -0.145 0.000 0.832 447 A HN 0.165 nan 8.150 nan 0.000 0.443 448 V N 0.326 120.162 119.914 -0.129 0.000 2.282 448 V HA -0.287 3.833 4.120 -0.000 0.000 0.249 448 V C 2.732 178.802 176.094 -0.039 0.000 1.057 448 V CA 2.293 64.548 62.300 -0.074 0.000 1.032 448 V CB -0.852 30.930 31.823 -0.069 0.000 0.645 448 V HN 0.540 nan 8.190 nan 0.000 0.447 449 R N -0.395 120.085 120.500 -0.032 0.000 2.139 449 R HA -0.226 4.114 4.340 -0.000 0.000 0.243 449 R C 2.304 178.591 176.300 -0.022 0.000 1.145 449 R CA 2.058 58.148 56.100 -0.016 0.000 0.976 449 R CB -0.262 30.037 30.300 -0.001 0.000 0.866 449 R HN 0.718 nan 8.270 nan 0.000 0.449 450 E N -0.238 119.944 120.200 -0.030 0.000 2.016 450 E HA -0.150 4.199 4.350 -0.000 0.000 0.190 450 E C 2.032 178.609 176.600 -0.039 0.000 0.985 450 E CA 0.652 57.037 56.400 -0.026 0.000 0.802 450 E CB 0.092 29.777 29.700 -0.026 0.000 0.762 450 E HN 0.135 nan 8.360 nan 0.000 0.448 451 R N 0.762 121.220 120.500 -0.070 0.000 2.091 451 R HA -0.147 4.192 4.340 -0.000 0.000 0.238 451 R C 2.424 178.681 176.300 -0.072 0.000 1.136 451 R CA 0.683 56.739 56.100 -0.074 0.000 0.959 451 R CB -1.070 29.181 30.300 -0.081 0.000 0.856 451 R HN 0.353 nan 8.270 nan 0.000 0.437 452 L N 1.441 122.624 121.223 -0.067 0.000 2.127 452 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 452 L C 1.801 178.618 176.870 -0.088 0.000 1.089 452 L CA 1.804 56.590 54.840 -0.090 0.000 0.757 452 L CB -0.300 41.727 42.059 -0.054 0.000 0.899 452 L HN 0.146 nan 8.230 nan 0.000 0.434 453 E N -0.217 119.951 120.200 -0.053 0.000 2.170 453 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 453 E C 1.903 178.483 176.600 -0.032 0.000 0.981 453 E CA 0.512 56.889 56.400 -0.037 0.000 0.830 453 E CB 0.193 29.883 29.700 -0.017 0.000 0.775 453 E HN 0.553 nan 8.360 nan 0.000 0.470 454 E N 0.312 120.496 120.200 -0.027 0.000 2.072 454 E HA -0.138 4.212 4.350 -0.000 0.000 0.191 454 E C 1.903 178.494 176.600 -0.015 0.000 0.985 454 E CA 0.949 57.349 56.400 0.000 0.000 0.801 454 E CB 0.073 29.786 29.700 0.022 0.000 0.750 454 E HN 0.168 nan 8.360 nan 0.000 0.452 455 A N 1.253 124.013 122.820 -0.100 0.000 1.873 455 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 455 A C 1.968 179.465 177.584 -0.146 0.000 1.186 455 A CA 1.456 53.356 52.037 -0.228 0.000 0.616 455 A CB -0.317 18.298 19.000 -0.642 0.000 0.823 455 A HN 0.091 nan 8.150 nan 0.000 0.442 456 K N -0.172 120.154 120.400 -0.124 0.000 2.044 456 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 456 K C 2.530 179.112 176.600 -0.030 0.000 1.049 456 K CA 2.246 58.488 56.287 -0.075 0.000 0.927 456 K CB -0.344 32.121 32.500 -0.059 0.000 0.713 456 K HN 0.480 nan 8.250 nan 0.000 0.443 457 K N 1.766 122.157 120.400 -0.015 0.000 2.057 457 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 457 K C 1.749 178.364 176.600 0.026 0.000 1.049 457 K CA 1.856 58.147 56.287 0.007 0.000 0.931 457 K CB -0.747 31.760 32.500 0.012 0.000 0.714 457 K HN 0.371 nan 8.250 nan 0.000 0.440 458 E N 0.104 120.331 120.200 0.046 0.000 2.267 458 E HA -0.111 4.239 4.350 -0.000 0.000 0.197 458 E C 1.862 178.512 176.600 0.083 0.000 0.998 458 E CA 1.617 58.069 56.400 0.086 0.000 0.830 458 E CB -0.280 29.520 29.700 0.166 0.000 0.751 458 E HN 0.636 nan 8.360 nan 0.000 0.491 459 V N -3.663 116.288 119.914 0.062 0.000 4.535 459 V HA 0.513 4.633 4.120 -0.000 0.000 0.173 459 V C 0.702 176.810 176.094 0.022 0.000 1.036 459 V CA 0.226 62.557 62.300 0.052 0.000 1.412 459 V CB 0.342 32.205 31.823 0.067 0.000 1.991 459 V HN -0.014 nan 8.190 nan 0.000 0.469 460 G N 0.757 109.561 108.800 0.006 0.000 2.719 460 G HA2 0.635 4.595 3.960 -0.000 0.000 0.284 460 G HA3 0.635 4.595 3.960 -0.000 0.000 0.284 460 G C -0.956 173.937 174.900 -0.013 0.000 1.488 460 G CA -0.603 44.496 45.100 -0.001 0.000 1.139 460 G HN 0.516 nan 8.290 nan 0.000 0.552 461 L N 0.000 121.216 121.223 -0.012 0.000 2.949 461 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 461 L CA 0.000 54.830 54.840 -0.017 0.000 0.813 461 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 461 L HN 0.000 nan 8.230 nan 0.000 0.502