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 1tog_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITATTA DPILGLADLF RADERPGKID LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFALYN ERVGACTLVA ADSETVDRAF GQMKAAIRDN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.297 176.300 -0.004 0.000 1.140 5 M CA 0.000 55.172 55.300 -0.213 0.000 0.988 5 M CB 0.000 32.407 32.600 -0.321 0.000 1.302 6 F N 1.214 121.163 119.950 -0.003 0.000 2.704 6 F HA 0.385 4.912 4.527 -0.000 0.000 0.304 6 F C 1.999 177.797 175.800 -0.003 0.000 1.094 6 F CA 0.465 58.463 58.000 -0.003 0.000 1.275 6 F CB -0.478 38.520 39.000 -0.003 0.000 1.073 6 F HN 0.262 nan 8.300 nan 0.000 0.586 7 E N -0.120 120.163 120.200 0.139 0.000 2.268 7 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 7 E C 0.484 177.123 176.600 0.065 0.000 0.995 7 E CA 1.008 57.459 56.400 0.085 0.000 0.836 7 E CB -0.491 29.234 29.700 0.041 0.000 0.763 7 E HN 0.278 nan 8.360 nan 0.000 0.491 8 N N 0.728 119.466 118.700 0.064 0.000 2.280 8 N HA 0.202 4.942 4.740 -0.000 0.000 0.192 8 N C 0.333 175.869 175.510 0.043 0.000 1.109 8 N CA -0.020 53.056 53.050 0.043 0.000 0.855 8 N CB 0.492 38.999 38.487 0.033 0.000 0.974 8 N HN 0.225 nan 8.380 nan 0.000 0.482 9 I N 0.897 121.502 120.570 0.059 0.000 2.648 9 I HA -0.014 4.156 4.170 -0.000 0.000 0.284 9 I C 0.618 176.745 176.117 0.018 0.000 1.153 9 I CA 0.441 61.763 61.300 0.037 0.000 1.426 9 I CB 0.538 38.557 38.000 0.032 0.000 1.381 9 I HN -0.161 nan 8.210 nan 0.000 0.571 10 T N 5.493 120.051 114.554 0.006 0.000 2.875 10 T HA 0.464 4.813 4.350 -0.000 0.000 0.284 10 T C 0.201 174.897 174.700 -0.006 0.000 0.995 10 T CA -0.475 61.626 62.100 0.002 0.000 1.060 10 T CB 1.208 70.076 68.868 0.001 0.000 0.967 10 T HN 0.712 nan 8.240 nan 0.000 0.476 11 A N 2.939 125.756 122.820 -0.006 0.000 2.498 11 A HA 0.536 4.856 4.320 -0.000 0.000 0.239 11 A C 0.616 178.192 177.584 -0.013 0.000 1.068 11 A CA 0.061 52.092 52.037 -0.010 0.000 0.766 11 A CB 0.159 19.155 19.000 -0.007 0.000 1.003 11 A HN 0.781 nan 8.150 nan 0.000 0.497 12 T N -0.291 114.252 114.554 -0.018 0.000 2.821 12 T HA 0.563 4.913 4.350 -0.000 0.000 0.306 12 T C -0.524 174.163 174.700 -0.022 0.000 1.313 12 T CA 0.220 62.308 62.100 -0.020 0.000 1.012 12 T CB 1.657 70.510 68.868 -0.026 0.000 1.298 12 T HN 1.192 nan 8.240 nan 0.000 0.502 13 T N 1.735 116.276 114.554 -0.023 0.000 2.767 13 T HA 0.717 5.067 4.350 -0.000 0.000 0.284 13 T C 0.835 175.513 174.700 -0.036 0.000 0.973 13 T CA 0.141 62.226 62.100 -0.025 0.000 0.996 13 T CB 0.488 69.346 68.868 -0.017 0.000 0.927 13 T HN 0.881 nan 8.240 nan 0.000 0.456 14 A N 3.975 126.771 122.820 -0.041 0.000 3.188 14 A HA 0.237 4.557 4.320 -0.000 0.000 0.158 14 A C 0.844 178.387 177.584 -0.067 0.000 1.832 14 A CA -0.136 51.868 52.037 -0.054 0.000 1.046 14 A CB -0.653 18.316 19.000 -0.053 0.000 1.770 14 A HN 0.891 nan 8.150 nan 0.000 0.817 15 D N 0.821 121.173 120.400 -0.080 0.000 2.661 15 D HA -0.015 4.625 4.640 -0.000 0.000 0.244 15 D C -1.245 175.005 176.300 -0.083 0.000 1.196 15 D CA -0.675 53.263 54.000 -0.104 0.000 0.881 15 D CB 0.720 41.458 40.800 -0.103 0.000 1.141 15 D HN 0.089 nan 8.370 nan 0.000 0.530 16 P HA -0.168 nan 4.420 nan 0.000 0.215 16 P C 1.909 179.182 177.300 -0.045 0.000 1.157 16 P CA 0.971 64.034 63.100 -0.062 0.000 0.868 16 P CB 0.307 31.961 31.700 -0.076 0.000 0.788 17 I N -1.137 119.389 120.570 -0.072 0.000 2.163 17 I HA -0.211 3.958 4.170 -0.000 0.000 0.240 17 I C 2.377 178.485 176.117 -0.015 0.000 1.081 17 I CA 1.094 62.370 61.300 -0.038 0.000 1.353 17 I CB -0.877 37.092 38.000 -0.051 0.000 1.054 17 I HN -0.157 nan 8.210 nan 0.000 0.407 18 L N 1.070 122.276 121.223 -0.029 0.000 2.127 18 L HA -0.127 4.212 4.340 -0.000 0.000 0.211 18 L C 2.603 179.466 176.870 -0.012 0.000 1.089 18 L CA 1.922 56.752 54.840 -0.016 0.000 0.757 18 L CB -1.895 40.150 42.059 -0.023 0.000 0.899 18 L HN 0.264 nan 8.230 nan 0.000 0.434 19 G N -0.930 107.860 108.800 -0.015 0.000 2.485 19 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.221 19 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.221 19 G C 1.705 176.617 174.900 0.021 0.000 1.115 19 G CA 0.650 45.749 45.100 -0.002 0.000 0.751 19 G HN 0.373 nan 8.290 nan 0.000 0.567 20 L N 0.330 121.572 121.223 0.032 0.000 2.141 20 L HA -0.038 4.301 4.340 -0.000 0.000 0.209 20 L C 3.380 180.267 176.870 0.028 0.000 1.094 20 L CA 0.744 55.621 54.840 0.062 0.000 0.763 20 L CB -0.395 41.712 42.059 0.079 0.000 0.908 20 L HN 0.333 nan 8.230 nan 0.000 0.437 21 A N 0.249 123.076 122.820 0.012 0.000 1.883 21 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 21 A C 1.925 179.525 177.584 0.027 0.000 1.186 21 A CA 2.131 54.179 52.037 0.018 0.000 0.624 21 A CB -0.478 18.522 19.000 0.001 0.000 0.822 21 A HN 0.397 nan 8.150 nan 0.000 0.444 22 D N -0.038 120.365 120.400 0.004 0.000 2.123 22 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 22 D C 2.070 178.348 176.300 -0.037 0.000 0.976 22 D CA 0.976 54.969 54.000 -0.013 0.000 0.831 22 D CB -0.352 40.442 40.800 -0.010 0.000 0.974 22 D HN 0.446 nan 8.370 nan 0.000 0.469 23 L N 0.106 121.317 121.223 -0.020 0.000 1.989 23 L HA -0.184 4.156 4.340 -0.000 0.000 0.211 23 L C 2.513 179.224 176.870 -0.266 0.000 1.071 23 L CA 0.986 55.811 54.840 -0.026 0.000 0.749 23 L CB -0.521 41.623 42.059 0.143 0.000 0.890 23 L HN -0.037 nan 8.230 nan 0.000 0.431 24 F N 0.735 120.336 119.950 -0.583 0.000 2.091 24 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 24 F C 2.849 178.425 175.800 -0.373 0.000 1.103 24 F CA 1.598 59.135 58.000 -0.770 0.000 1.228 24 F CB -0.269 38.402 39.000 -0.549 0.000 0.984 24 F HN -0.098 nan 8.300 nan 0.000 0.477 25 R N 0.304 120.666 120.500 -0.230 0.000 2.091 25 R HA -0.110 4.230 4.340 -0.000 0.000 0.238 25 R C 2.257 178.412 176.300 -0.241 0.000 1.136 25 R CA 1.335 57.306 56.100 -0.215 0.000 0.959 25 R CB -1.207 29.054 30.300 -0.065 0.000 0.856 25 R HN 0.415 nan 8.270 nan 0.000 0.437 26 A N 0.758 123.467 122.820 -0.186 0.000 2.119 26 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 26 A C 0.704 178.205 177.584 -0.139 0.000 1.152 26 A CA 0.098 52.059 52.037 -0.126 0.000 0.708 26 A CB -0.158 18.800 19.000 -0.070 0.000 0.805 26 A HN 0.145 nan 8.150 nan 0.000 0.460 27 D N 0.268 120.538 120.400 -0.215 0.000 2.383 27 D HA 0.100 4.740 4.640 -0.000 0.000 0.252 27 D C 0.428 176.624 176.300 -0.174 0.000 1.166 27 D CA 0.211 54.117 54.000 -0.157 0.000 0.879 27 D CB 0.753 41.459 40.800 -0.157 0.000 1.164 27 D HN 0.415 nan 8.370 nan 0.000 0.462 28 E N 2.172 122.316 120.200 -0.095 0.000 2.474 28 E HA 0.035 4.385 4.350 -0.000 0.000 0.194 28 E C 0.166 176.727 176.600 -0.065 0.000 1.041 28 E CA -0.080 56.270 56.400 -0.083 0.000 0.874 28 E CB 0.509 30.176 29.700 -0.056 0.000 0.914 28 E HN 0.267 nan 8.360 nan 0.000 0.498 29 R N 1.928 122.398 120.500 -0.049 0.000 2.449 29 R HA 0.015 4.354 4.340 -0.000 0.000 0.296 29 R C -1.590 174.694 176.300 -0.028 0.000 1.047 29 R CA -0.908 55.179 56.100 -0.022 0.000 1.018 29 R CB 0.358 30.663 30.300 0.008 0.000 0.962 29 R HN 0.042 nan 8.270 nan 0.000 0.428 30 P HA -0.046 nan 4.420 nan 0.000 0.225 30 P C 0.741 178.053 177.300 0.020 0.000 1.156 30 P CA 0.879 63.974 63.100 -0.008 0.000 0.787 30 P CB 0.369 32.068 31.700 -0.002 0.000 0.802 31 G N 0.627 109.451 108.800 0.041 0.000 3.314 31 G HA2 0.027 3.987 3.960 -0.000 0.000 0.238 31 G HA3 0.027 3.987 3.960 -0.000 0.000 0.238 31 G C 0.388 175.358 174.900 0.117 0.000 1.184 31 G CA -0.375 44.768 45.100 0.072 0.000 0.806 31 G HN 0.362 nan 8.290 nan 0.000 0.536 32 K N 0.235 120.707 120.400 0.119 0.000 2.414 32 K HA 0.383 4.703 4.320 -0.000 0.000 0.272 32 K C -0.751 176.071 176.600 0.370 0.000 0.993 32 K CA 0.077 56.501 56.287 0.228 0.000 0.964 32 K CB 1.078 33.624 32.500 0.078 0.000 0.925 32 K HN 0.032 nan 8.250 nan 0.000 0.487 33 I N 1.537 122.375 120.570 0.447 0.000 2.498 33 I HA 0.122 4.291 4.170 -0.000 0.000 0.290 33 I C -1.141 175.094 176.117 0.197 0.000 1.032 33 I CA -1.025 60.444 61.300 0.281 0.000 1.073 33 I CB 2.070 40.150 38.000 0.132 0.000 1.251 33 I HN 0.718 nan 8.210 nan 0.000 0.426 34 D N 7.003 127.265 120.400 -0.229 0.000 2.349 34 D HA 0.436 5.075 4.640 -0.000 0.000 0.232 34 D C -0.321 175.810 176.300 -0.282 0.000 1.071 34 D CA -0.104 53.538 54.000 -0.595 0.000 0.832 34 D CB 1.178 41.078 40.800 -1.500 0.000 1.086 34 D HN 0.442 nan 8.370 nan 0.000 0.504 35 L N 3.372 124.518 121.223 -0.127 0.000 3.289 35 L HA 0.413 4.752 4.340 -0.000 0.000 0.291 35 L C 1.301 178.173 176.870 0.004 0.000 1.279 35 L CA -0.460 54.339 54.840 -0.070 0.000 1.025 35 L CB 1.040 43.067 42.059 -0.054 0.000 1.413 35 L HN 0.485 nan 8.230 nan 0.000 0.593 36 G N 0.591 109.379 108.800 -0.020 0.000 2.593 36 G HA2 0.269 4.228 3.960 -0.000 0.000 0.212 36 G HA3 0.269 4.228 3.960 -0.000 0.000 0.212 36 G C 0.592 175.544 174.900 0.086 0.000 1.934 36 G CA -0.427 44.695 45.100 0.036 0.000 0.861 36 G HN 0.055 nan 8.290 nan 0.000 0.629 37 I N 2.235 122.831 120.570 0.044 0.000 2.880 37 I HA 0.129 4.299 4.170 -0.000 0.000 0.296 37 I C 1.291 177.507 176.117 0.164 0.000 1.220 37 I CA 0.304 61.660 61.300 0.093 0.000 1.435 37 I CB 0.451 38.457 38.000 0.010 0.000 1.339 37 I HN 0.254 nan 8.210 nan 0.000 0.583 38 G N 6.244 115.237 108.800 0.322 0.000 2.985 38 G HA2 0.409 4.368 3.960 -0.000 0.000 0.282 38 G HA3 0.409 4.368 3.960 -0.000 0.000 0.282 38 G C -0.386 174.548 174.900 0.057 0.000 0.791 38 G CA -0.146 45.131 45.100 0.295 0.000 1.934 38 G HN 0.334 nan 8.290 nan 0.000 0.563 39 V N 2.486 122.353 119.914 -0.078 0.000 2.540 39 V HA 0.314 4.434 4.120 -0.000 0.000 0.302 39 V C -0.561 175.510 176.094 -0.039 0.000 1.035 39 V CA -1.194 60.982 62.300 -0.207 0.000 0.873 39 V CB 1.714 33.273 31.823 -0.441 0.000 0.992 39 V HN 0.624 nan 8.190 nan 0.000 0.428 40 Y N 5.507 125.831 120.300 0.041 0.000 2.346 40 Y HA 0.437 4.987 4.550 -0.000 0.000 0.330 40 Y C 0.258 176.179 175.900 0.034 0.000 1.178 40 Y CA 0.114 58.244 58.100 0.050 0.000 1.331 40 Y CB 0.570 39.128 38.460 0.164 0.000 1.253 40 Y HN 0.545 nan 8.280 nan 0.000 0.529 41 K N 4.779 124.708 120.400 -0.785 0.000 2.318 41 K HA 0.240 4.560 4.320 -0.000 0.000 0.249 41 K C -0.930 175.106 176.600 -0.941 0.000 0.942 41 K CA -1.066 54.865 56.287 -0.592 0.000 0.808 41 K CB 1.439 33.736 32.500 -0.339 0.000 1.189 41 K HN 0.754 nan 8.250 nan 0.000 0.428 42 D N 0.559 120.727 120.400 -0.386 0.000 2.469 42 D HA -0.003 4.637 4.640 -0.000 0.000 0.278 42 D C 0.544 176.767 176.300 -0.130 0.000 1.231 42 D CA -0.178 53.725 54.000 -0.162 0.000 1.075 42 D CB 0.297 41.139 40.800 0.069 0.000 1.121 42 D HN 0.417 nan 8.370 nan 0.000 0.571 43 E N -1.257 118.922 120.200 -0.035 0.000 2.204 43 E HA -0.092 4.258 4.350 -0.000 0.000 0.195 43 E C 1.676 178.255 176.600 -0.034 0.000 0.990 43 E CA 1.911 58.294 56.400 -0.029 0.000 0.821 43 E CB -0.807 28.894 29.700 0.001 0.000 0.750 43 E HN 0.678 nan 8.360 nan 0.000 0.477 44 T N -3.289 111.248 114.554 -0.028 0.000 3.107 44 T HA 0.341 4.691 4.350 -0.000 0.000 0.249 44 T C 1.491 176.170 174.700 -0.034 0.000 1.096 44 T CA 0.137 62.225 62.100 -0.020 0.000 1.012 44 T CB 0.172 69.038 68.868 -0.003 0.000 0.977 44 T HN 0.294 nan 8.240 nan 0.000 0.527 45 G N 1.512 110.271 108.800 -0.067 0.000 2.147 45 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 45 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 45 G C -0.099 174.759 174.900 -0.069 0.000 1.005 45 G CA -0.047 45.003 45.100 -0.084 0.000 0.713 45 G HN 0.587 nan 8.290 nan 0.000 0.515 46 K N -0.192 120.174 120.400 -0.055 0.000 2.238 46 K HA 0.663 4.983 4.320 -0.000 0.000 0.239 46 K C -0.198 176.393 176.600 -0.015 0.000 0.987 46 K CA -0.519 55.754 56.287 -0.023 0.000 0.857 46 K CB 1.526 34.031 32.500 0.009 0.000 1.154 46 K HN 0.028 nan 8.250 nan 0.000 0.439 47 T N 3.891 118.460 114.554 0.025 0.000 3.336 47 T HA 0.237 4.587 4.350 -0.000 0.000 0.384 47 T C -2.018 172.767 174.700 0.141 0.000 1.704 47 T CA -1.202 60.955 62.100 0.095 0.000 1.334 47 T CB 0.317 69.222 68.868 0.061 0.000 1.131 47 T HN 0.351 nan 8.240 nan 0.000 0.684 48 P HA 0.312 nan 4.420 nan 0.000 0.274 48 P C -0.138 177.261 177.300 0.164 0.000 1.231 48 P CA -0.458 62.724 63.100 0.136 0.000 0.790 48 P CB 0.788 32.561 31.700 0.122 0.000 0.951 49 V N 2.500 122.495 119.914 0.135 0.000 2.740 49 V HA -0.041 4.079 4.120 -0.000 0.000 0.303 49 V C 1.024 177.192 176.094 0.124 0.000 1.054 49 V CA -0.373 62.007 62.300 0.134 0.000 1.106 49 V CB 0.025 31.915 31.823 0.112 0.000 0.957 49 V HN 0.371 nan 8.190 nan 0.000 0.486 50 L N 4.294 125.595 121.223 0.130 0.000 2.461 50 L HA 0.140 4.480 4.340 -0.000 0.000 0.272 50 L C 1.717 178.646 176.870 0.099 0.000 1.197 50 L CA 0.828 55.738 54.840 0.115 0.000 0.836 50 L CB 0.277 42.420 42.059 0.140 0.000 1.105 50 L HN 0.819 nan 8.230 nan 0.000 0.477 51 T N 0.430 115.032 114.554 0.080 0.000 2.652 51 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 51 T C 1.897 176.642 174.700 0.074 0.000 1.039 51 T CA 1.924 64.064 62.100 0.067 0.000 1.153 51 T CB -0.122 68.775 68.868 0.050 0.000 0.863 51 T HN 0.858 nan 8.240 nan 0.000 0.428 52 S N 1.301 117.056 115.700 0.092 0.000 2.374 52 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 52 S C 2.161 176.815 174.600 0.090 0.000 1.037 52 S CA 1.350 59.612 58.200 0.103 0.000 1.024 52 S CB -1.064 62.240 63.200 0.174 0.000 0.861 52 S HN 0.305 nan 8.310 nan 0.000 0.456 53 V N 2.274 122.254 119.914 0.110 0.000 2.343 53 V HA -0.123 3.997 4.120 -0.000 0.000 0.247 53 V C 2.867 179.000 176.094 0.066 0.000 1.051 53 V CA 1.808 64.159 62.300 0.084 0.000 1.036 53 V CB -0.604 31.287 31.823 0.112 0.000 0.654 53 V HN 0.426 nan 8.190 nan 0.000 0.451 54 K N 0.338 120.783 120.400 0.076 0.000 2.057 54 K HA -0.159 4.161 4.320 -0.000 0.000 0.207 54 K C 2.171 178.811 176.600 0.067 0.000 1.049 54 K CA 1.369 57.699 56.287 0.072 0.000 0.931 54 K CB -0.341 32.200 32.500 0.067 0.000 0.714 54 K HN 0.440 nan 8.250 nan 0.000 0.440 55 K N 0.499 120.935 120.400 0.061 0.000 2.063 55 K HA -0.118 4.202 4.320 -0.000 0.000 0.208 55 K C 2.176 178.819 176.600 0.071 0.000 1.048 55 K CA 1.452 57.776 56.287 0.061 0.000 0.928 55 K CB -0.173 32.355 32.500 0.047 0.000 0.713 55 K HN 0.121 nan 8.250 nan 0.000 0.442 56 A N 1.427 124.273 122.820 0.044 0.000 1.930 56 A HA -0.182 4.138 4.320 -0.000 0.000 0.217 56 A C 1.835 179.463 177.584 0.072 0.000 1.175 56 A CA 1.380 53.436 52.037 0.030 0.000 0.627 56 A CB -0.300 18.672 19.000 -0.047 0.000 0.815 56 A HN 0.288 nan 8.150 nan 0.000 0.443 57 E N -0.843 119.393 120.200 0.060 0.000 2.150 57 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 57 E C 2.171 178.835 176.600 0.106 0.000 0.985 57 E CA 1.233 57.691 56.400 0.097 0.000 0.814 57 E CB -0.088 29.699 29.700 0.145 0.000 0.752 57 E HN 0.749 nan 8.360 nan 0.000 0.466 58 Q N 0.467 120.325 119.800 0.097 0.000 2.046 58 Q HA -0.234 4.106 4.340 -0.000 0.000 0.200 58 Q C 1.896 177.945 176.000 0.083 0.000 0.975 58 Q CA 1.538 57.389 55.803 0.080 0.000 0.836 58 Q CB -0.555 28.229 28.738 0.078 0.000 0.896 58 Q HN 0.389 nan 8.270 nan 0.000 0.428 59 Y N 0.395 120.695 120.300 0.001 0.000 2.097 59 Y HA -0.239 4.311 4.550 -0.000 0.000 0.282 59 Y C 1.751 177.646 175.900 -0.009 0.000 1.152 59 Y CA 2.100 60.196 58.100 -0.007 0.000 1.136 59 Y CB -0.269 38.181 38.460 -0.018 0.000 0.975 59 Y HN 0.183 nan 8.280 nan 0.000 0.498 60 L N -0.421 120.853 121.223 0.085 0.000 2.012 60 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 60 L C 2.637 179.481 176.870 -0.044 0.000 1.073 60 L CA 1.442 56.287 54.840 0.009 0.000 0.748 60 L CB -0.858 41.241 42.059 0.067 0.000 0.891 60 L HN 0.363 nan 8.230 nan 0.000 0.431 61 L N 0.071 121.291 121.223 -0.005 0.000 2.043 61 L HA -0.281 4.058 4.340 -0.000 0.000 0.212 61 L C 2.457 179.283 176.870 -0.073 0.000 1.075 61 L CA 1.897 56.724 54.840 -0.021 0.000 0.752 61 L CB -0.235 41.825 42.059 0.001 0.000 0.891 61 L HN 0.411 nan 8.230 nan 0.000 0.432 62 E N -0.795 119.334 120.200 -0.119 0.000 2.216 62 E HA -0.110 4.240 4.350 -0.000 0.000 0.192 62 E C 1.309 177.786 176.600 -0.204 0.000 0.988 62 E CA 0.850 57.162 56.400 -0.146 0.000 0.834 62 E CB 0.170 29.780 29.700 -0.150 0.000 0.772 62 E HN 0.618 nan 8.360 nan 0.000 0.479 63 N N 0.017 118.539 118.700 -0.298 0.000 2.239 63 N HA 0.056 4.796 4.740 -0.000 0.000 0.208 63 N C 0.225 175.629 175.510 -0.177 0.000 1.200 63 N CA 0.045 52.913 53.050 -0.304 0.000 0.895 63 N CB 0.855 38.996 38.487 -0.578 0.000 1.085 63 N HN 0.101 nan 8.380 nan 0.000 0.500 67 T N 0.603 115.137 114.554 -0.032 0.000 2.885 67 T HA 0.549 4.899 4.350 -0.000 0.000 0.322 67 T C -1.381 173.293 174.700 -0.044 0.000 1.387 67 T CA -0.629 61.449 62.100 -0.036 0.000 1.041 67 T CB 1.729 70.581 68.868 -0.027 0.000 1.287 67 T HN -0.039 nan 8.240 nan 0.000 0.491 68 K N 2.430 122.791 120.400 -0.065 0.000 2.593 68 K HA 0.228 4.548 4.320 -0.000 0.000 0.208 68 K C 0.357 176.876 176.600 -0.134 0.000 1.051 68 K CA -0.510 55.725 56.287 -0.088 0.000 1.111 68 K CB -0.127 32.313 32.500 -0.100 0.000 0.849 68 K HN 0.461 nan 8.250 nan 0.000 0.479 69 N N 1.187 119.830 118.700 -0.095 0.000 2.407 69 N HA -0.117 4.623 4.740 -0.000 0.000 0.250 69 N C -0.513 174.967 175.510 -0.051 0.000 1.236 69 N CA 0.222 53.218 53.050 -0.091 0.000 0.879 69 N CB 0.191 38.671 38.487 -0.011 0.000 1.088 69 N HN -0.031 nan 8.380 nan 0.000 0.450 70 Y N 1.917 122.218 120.300 0.002 0.000 2.987 70 Y HA -0.100 4.450 4.550 -0.000 0.000 0.339 70 Y C 0.935 176.838 175.900 0.005 0.000 1.272 70 Y CA 0.418 58.521 58.100 0.005 0.000 1.562 70 Y CB 0.101 38.565 38.460 0.007 0.000 1.253 70 Y HN 0.297 nan 8.280 nan 0.000 0.604 71 L N 2.864 124.194 121.223 0.179 0.000 2.473 71 L HA 0.223 4.563 4.340 -0.000 0.000 0.268 71 L C 1.318 178.255 176.870 0.112 0.000 1.215 71 L CA -0.243 54.663 54.840 0.110 0.000 0.823 71 L CB 0.078 42.178 42.059 0.068 0.000 1.099 71 L HN 0.835 nan 8.230 nan 0.000 0.483 72 G N 0.790 109.636 108.800 0.077 0.000 2.647 72 G HA2 0.096 4.056 3.960 -0.000 0.000 0.234 72 G HA3 0.096 4.056 3.960 -0.000 0.000 0.234 72 G C 1.017 175.947 174.900 0.049 0.000 1.252 72 G CA -0.420 44.713 45.100 0.055 0.000 0.846 72 G HN 0.711 nan 8.290 nan 0.000 0.589 73 I N 0.469 121.043 120.570 0.007 0.000 2.300 73 I HA -0.203 3.967 4.170 -0.000 0.000 0.252 73 I C 1.933 178.065 176.117 0.025 0.000 1.119 73 I CA 1.778 63.064 61.300 -0.022 0.000 1.384 73 I CB -0.078 37.863 38.000 -0.099 0.000 1.062 73 I HN 0.604 nan 8.210 nan 0.000 0.426 74 D N 0.028 120.469 120.400 0.068 0.000 2.340 74 D HA 0.225 4.865 4.640 -0.000 0.000 0.217 74 D C 1.026 177.429 176.300 0.171 0.000 1.081 74 D CA 0.649 54.748 54.000 0.166 0.000 0.842 74 D CB -0.053 40.945 40.800 0.330 0.000 0.934 74 D HN 0.361 nan 8.370 nan 0.000 0.511 75 G N 0.973 109.839 108.800 0.110 0.000 2.527 75 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.227 75 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.227 75 G C -0.483 174.457 174.900 0.067 0.000 1.291 75 G CA -0.319 44.816 45.100 0.058 0.000 0.904 75 G HN 0.298 nan 8.290 nan 0.000 0.577 76 I N 2.903 123.494 120.570 0.035 0.000 2.379 76 I HA 0.200 4.370 4.170 -0.000 0.000 0.290 76 I C -0.987 175.205 176.117 0.124 0.000 1.063 76 I CA -1.607 59.728 61.300 0.058 0.000 1.351 76 I CB 1.592 39.599 38.000 0.012 0.000 1.410 76 I HN 0.280 nan 8.210 nan 0.000 0.505 77 P HA -0.216 nan 4.420 nan 0.000 0.215 77 P C 1.376 178.718 177.300 0.069 0.000 1.157 77 P CA 1.127 64.277 63.100 0.083 0.000 0.874 77 P CB 0.313 32.047 31.700 0.057 0.000 0.790 78 E N -1.266 118.967 120.200 0.054 0.000 2.118 78 E HA -0.185 4.164 4.350 -0.000 0.000 0.195 78 E C 1.744 178.357 176.600 0.022 0.000 0.992 78 E CA 0.934 57.347 56.400 0.022 0.000 0.804 78 E CB -1.212 28.490 29.700 0.002 0.000 0.741 78 E HN 0.169 nan 8.360 nan 0.000 0.458 79 F N 0.069 119.964 119.950 -0.091 0.000 2.126 79 F HA -0.133 4.393 4.527 -0.000 0.000 0.299 79 F C 2.001 177.764 175.800 -0.062 0.000 1.096 79 F CA 2.051 59.978 58.000 -0.122 0.000 1.255 79 F CB -0.612 38.312 39.000 -0.126 0.000 0.997 79 F HN 0.102 nan 8.300 nan 0.000 0.479 80 G N -0.278 108.572 108.800 0.082 0.000 2.421 80 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.216 80 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.216 80 G C 1.729 176.577 174.900 -0.086 0.000 1.171 80 G CA 0.816 45.918 45.100 0.003 0.000 0.775 80 G HN 0.274 nan 8.290 nan 0.000 0.543 81 R N -0.400 120.066 120.500 -0.055 0.000 2.097 81 R HA -0.099 4.241 4.340 -0.000 0.000 0.236 81 R C 2.768 179.011 176.300 -0.094 0.000 1.135 81 R CA 1.929 57.996 56.100 -0.055 0.000 0.934 81 R CB -1.041 29.238 30.300 -0.035 0.000 0.846 81 R HN 0.394 nan 8.270 nan 0.000 0.431 82 C N -0.614 118.600 119.300 -0.144 0.000 2.413 82 C HA -0.122 4.338 4.460 -0.000 0.000 0.276 82 C C 2.573 177.450 174.990 -0.188 0.000 1.248 82 C CA 1.438 60.355 59.018 -0.169 0.000 1.742 82 C CB -1.066 26.532 27.740 -0.236 0.000 2.017 82 C HN 0.611 nan 8.230 nan 0.000 0.481 83 T N 0.595 114.975 114.554 -0.291 0.000 2.635 83 T HA -0.261 4.089 4.350 -0.000 0.000 0.267 83 T C 1.772 176.346 174.700 -0.210 0.000 1.040 83 T CA 1.683 63.635 62.100 -0.247 0.000 1.156 83 T CB -0.365 68.289 68.868 -0.358 0.000 0.863 83 T HN 0.663 nan 8.240 nan 0.000 0.430 84 Q N 0.345 120.047 119.800 -0.163 0.000 2.167 84 Q HA -0.079 4.261 4.340 -0.000 0.000 0.202 84 Q C 2.422 178.373 176.000 -0.082 0.000 0.970 84 Q CA 1.045 56.771 55.803 -0.128 0.000 0.855 84 Q CB -0.086 28.700 28.738 0.080 0.000 0.911 84 Q HN 0.631 nan 8.270 nan 0.000 0.438 85 E N 0.296 120.468 120.200 -0.048 0.000 2.072 85 E HA -0.184 4.166 4.350 -0.000 0.000 0.191 85 E C 1.867 178.449 176.600 -0.030 0.000 0.985 85 E CA 0.639 57.032 56.400 -0.012 0.000 0.801 85 E CB 0.018 29.712 29.700 -0.011 0.000 0.750 85 E HN 0.137 nan 8.360 nan 0.000 0.452 86 L N 0.711 121.901 121.223 -0.054 0.000 2.046 86 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 86 L C 2.057 178.883 176.870 -0.072 0.000 1.077 86 L CA 1.394 56.218 54.840 -0.026 0.000 0.747 86 L CB -0.482 41.581 42.059 0.006 0.000 0.896 86 L HN 0.123 nan 8.230 nan 0.000 0.432 87 L N -1.830 119.250 121.223 -0.238 0.000 1.994 87 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 87 L C 2.029 178.657 176.870 -0.404 0.000 1.071 87 L CA 1.914 56.479 54.840 -0.458 0.000 0.745 87 L CB -0.930 40.479 42.059 -1.083 0.000 0.892 87 L HN 0.166 nan 8.230 nan 0.000 0.431 88 F N -1.158 118.778 119.950 -0.022 0.000 2.724 88 F HA 0.545 5.072 4.527 -0.000 0.000 0.306 88 F C 1.231 177.011 175.800 -0.034 0.000 1.100 88 F CA -0.099 57.872 58.000 -0.049 0.000 1.255 88 F CB -0.502 38.467 39.000 -0.052 0.000 1.072 88 F HN 0.075 nan 8.300 nan 0.000 0.589 89 G N 1.132 109.997 108.800 0.107 0.000 2.777 89 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 89 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 89 G C 0.658 175.598 174.900 0.068 0.000 1.177 89 G CA -0.589 44.552 45.100 0.070 0.000 0.775 89 G HN 0.020 nan 8.290 nan 0.000 0.613 90 K N 0.911 121.335 120.400 0.040 0.000 2.113 90 K HA -0.138 4.182 4.320 -0.000 0.000 0.208 90 K C 2.525 179.141 176.600 0.027 0.000 1.047 90 K CA 1.973 58.278 56.287 0.030 0.000 0.928 90 K CB -0.272 32.239 32.500 0.018 0.000 0.716 90 K HN 0.877 nan 8.250 nan 0.000 0.446 91 G N 0.788 109.603 108.800 0.025 0.000 3.042 91 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.212 91 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.212 91 G C 0.391 175.299 174.900 0.013 0.000 1.166 91 G CA -0.206 44.903 45.100 0.015 0.000 0.767 91 G HN 0.180 nan 8.290 nan 0.000 0.546 92 S N 0.111 115.828 115.700 0.028 0.000 2.558 92 S HA 0.335 4.805 4.470 -0.000 0.000 0.288 92 S C 1.855 176.441 174.600 -0.022 0.000 1.318 92 S CA 0.291 58.499 58.200 0.013 0.000 1.056 92 S CB 1.046 64.279 63.200 0.056 0.000 0.853 92 S HN 0.460 nan 8.310 nan 0.000 0.505 93 A N 4.685 127.477 122.820 -0.047 0.000 2.067 93 A HA 0.032 4.352 4.320 -0.000 0.000 0.219 93 A C 1.914 179.444 177.584 -0.090 0.000 1.158 93 A CA 0.987 52.989 52.037 -0.058 0.000 0.661 93 A CB -0.532 18.434 19.000 -0.056 0.000 0.801 93 A HN 0.789 nan 8.150 nan 0.000 0.452 94 L N -0.345 120.787 121.223 -0.152 0.000 2.093 94 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 94 L C 2.329 179.118 176.870 -0.135 0.000 1.085 94 L CA 1.437 56.139 54.840 -0.231 0.000 0.755 94 L CB -0.374 41.354 42.059 -0.552 0.000 0.904 94 L HN 0.407 nan 8.230 nan 0.000 0.435 95 I N -0.812 119.720 120.570 -0.063 0.000 2.193 95 I HA -0.220 3.950 4.170 -0.000 0.000 0.240 95 I C 1.971 178.076 176.117 -0.020 0.000 1.084 95 I CA 0.831 62.126 61.300 -0.008 0.000 1.365 95 I CB -0.407 37.617 38.000 0.040 0.000 1.064 95 I HN 0.296 nan 8.210 nan 0.000 0.410 96 N N 0.918 119.605 118.700 -0.022 0.000 2.166 96 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 96 N C 1.148 176.643 175.510 -0.025 0.000 1.019 96 N CA 1.283 54.322 53.050 -0.019 0.000 0.856 96 N CB -0.485 37.992 38.487 -0.017 0.000 0.993 96 N HN 0.310 nan 8.380 nan 0.000 0.426 97 D N 0.871 121.249 120.400 -0.037 0.000 2.349 97 D HA 0.013 4.652 4.640 -0.000 0.000 0.224 97 D C 0.073 176.351 176.300 -0.037 0.000 1.029 97 D CA 0.205 54.183 54.000 -0.036 0.000 0.879 97 D CB 0.075 40.848 40.800 -0.046 0.000 0.906 97 D HN 0.105 nan 8.370 nan 0.000 0.528 98 K N 0.142 120.519 120.400 -0.039 0.000 3.096 98 K HA -0.231 4.089 4.320 -0.000 0.000 0.266 98 K C 0.567 177.137 176.600 -0.050 0.000 1.043 98 K CA 0.244 56.508 56.287 -0.039 0.000 0.758 98 K CB -1.533 30.951 32.500 -0.026 0.000 1.260 98 K HN 0.360 nan 8.250 nan 0.000 0.481 99 R N -0.548 119.910 120.500 -0.070 0.000 2.312 99 R HA 0.166 4.506 4.340 -0.000 0.000 0.205 99 R C 0.743 176.993 176.300 -0.084 0.000 0.904 99 R CA 0.652 56.708 56.100 -0.073 0.000 1.052 99 R CB 0.706 30.953 30.300 -0.088 0.000 1.014 99 R HN 0.284 nan 8.270 nan 0.000 0.503 100 A N 1.425 124.191 122.820 -0.091 0.000 2.355 100 A HA 0.641 4.961 4.320 -0.000 0.000 0.317 100 A C -0.595 176.902 177.584 -0.146 0.000 1.094 100 A CA -0.739 51.256 52.037 -0.070 0.000 0.764 100 A CB 1.278 20.300 19.000 0.038 0.000 1.230 100 A HN -0.031 nan 8.150 nan 0.000 0.448 101 R N 1.020 121.353 120.500 -0.277 0.000 2.621 101 R HA 0.690 5.030 4.340 -0.000 0.000 0.292 101 R C -1.224 174.758 176.300 -0.530 0.000 0.969 101 R CA -0.364 55.349 56.100 -0.645 0.000 0.887 101 R CB 1.912 31.391 30.300 -1.368 0.000 1.180 101 R HN 0.706 nan 8.270 nan 0.000 0.450 102 T N 1.127 115.458 114.554 -0.371 0.000 2.812 102 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 102 T C -0.628 174.193 174.700 0.202 0.000 0.990 102 T CA -0.580 61.505 62.100 -0.023 0.000 0.960 102 T CB 1.825 70.704 68.868 0.018 0.000 0.948 102 T HN 0.590 nan 8.240 nan 0.000 0.438 103 A N 3.244 126.297 122.820 0.387 0.000 2.260 103 A HA 0.528 4.848 4.320 -0.000 0.000 0.314 103 A C 0.262 178.039 177.584 0.322 0.000 1.257 103 A CA -0.681 51.597 52.037 0.401 0.000 0.871 103 A CB 0.530 19.742 19.000 0.353 0.000 1.166 103 A HN 0.813 nan 8.150 nan 0.000 0.522 104 Q N 2.057 122.046 119.800 0.315 0.000 2.274 104 Q HA 0.277 4.617 4.340 -0.000 0.000 0.280 104 Q C -0.011 176.066 176.000 0.128 0.000 1.047 104 Q CA 0.783 56.715 55.803 0.216 0.000 0.907 104 Q CB 0.330 29.006 28.738 -0.103 0.000 1.171 104 Q HN 0.810 nan 8.270 nan 0.000 0.381 105 T N 1.178 115.792 114.554 0.100 0.000 2.916 105 T HA 0.589 4.939 4.350 -0.000 0.000 0.292 105 T C -2.709 171.927 174.700 -0.107 0.000 1.064 105 T CA -2.135 59.990 62.100 0.042 0.000 1.011 105 T CB 1.790 70.731 68.868 0.122 0.000 1.152 105 T HN 0.473 nan 8.240 nan 0.000 0.510 106 P HA 0.409 nan 4.420 nan 0.000 0.260 106 P C 0.694 177.933 177.300 -0.103 0.000 1.651 106 P CA 0.713 63.674 63.100 -0.232 0.000 1.139 106 P CB -0.427 31.043 31.700 -0.384 0.000 1.756 107 G N 2.847 111.626 108.800 -0.036 0.000 2.795 107 G HA2 -0.107 3.852 3.960 -0.000 0.000 0.664 107 G HA3 -0.107 3.852 3.960 -0.000 0.000 0.664 107 G C 0.853 175.771 174.900 0.030 0.000 1.381 107 G CA -0.484 44.622 45.100 0.010 0.000 0.853 107 G HN 0.448 nan 8.290 nan 0.000 0.545 108 G N -0.634 108.178 108.800 0.019 0.000 2.448 108 G HA2 0.142 4.102 3.960 -0.000 0.000 0.218 108 G HA3 0.142 4.102 3.960 -0.000 0.000 0.218 108 G C 2.054 176.995 174.900 0.068 0.000 1.135 108 G CA 2.025 47.137 45.100 0.019 0.000 0.784 108 G HN 1.200 nan 8.290 nan 0.000 0.543 109 S N 0.792 116.546 115.700 0.089 0.000 2.353 109 S HA -0.086 4.384 4.470 -0.000 0.000 0.222 109 S C 2.569 177.213 174.600 0.073 0.000 1.035 109 S CA 1.317 59.591 58.200 0.123 0.000 1.025 109 S CB -0.739 62.536 63.200 0.125 0.000 0.902 109 S HN 0.509 nan 8.310 nan 0.000 0.440 110 G N 1.418 110.243 108.800 0.043 0.000 2.469 110 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.219 110 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.219 110 G C 1.563 176.530 174.900 0.111 0.000 1.150 110 G CA 1.125 46.253 45.100 0.046 0.000 0.763 110 G HN 0.596 nan 8.290 nan 0.000 0.561 111 A N 0.456 123.340 122.820 0.108 0.000 1.933 111 A HA 0.072 4.392 4.320 -0.000 0.000 0.218 111 A C 2.458 180.132 177.584 0.150 0.000 1.175 111 A CA 1.425 53.546 52.037 0.139 0.000 0.628 111 A CB -0.377 18.701 19.000 0.129 0.000 0.814 111 A HN 0.376 nan 8.150 nan 0.000 0.444 112 L N -1.348 119.952 121.223 0.129 0.000 2.046 112 L HA -0.166 4.173 4.340 -0.000 0.000 0.208 112 L C 2.732 179.625 176.870 0.038 0.000 1.077 112 L CA 1.626 56.532 54.840 0.111 0.000 0.747 112 L CB -0.426 41.678 42.059 0.076 0.000 0.896 112 L HN 0.312 nan 8.230 nan 0.000 0.432 113 R N 0.133 120.649 120.500 0.025 0.000 2.073 113 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 113 R C 2.083 178.452 176.300 0.114 0.000 1.134 113 R CA 1.637 57.755 56.100 0.032 0.000 0.952 113 R CB -0.896 29.433 30.300 0.049 0.000 0.850 113 R HN 0.114 nan 8.270 nan 0.000 0.433 114 V N 0.732 120.739 119.914 0.155 0.000 2.295 114 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 114 V C 2.358 178.584 176.094 0.221 0.000 1.049 114 V CA 1.973 64.376 62.300 0.172 0.000 1.024 114 V CB -1.015 30.914 31.823 0.177 0.000 0.648 114 V HN 0.533 nan 8.190 nan 0.000 0.447 115 A N 0.028 122.992 122.820 0.240 0.000 1.892 115 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 115 A C 2.424 180.252 177.584 0.406 0.000 1.188 115 A CA 2.480 54.716 52.037 0.333 0.000 0.631 115 A CB -0.901 18.293 19.000 0.323 0.000 0.822 115 A HN 0.600 nan 8.150 nan 0.000 0.447 116 A N -0.225 122.812 122.820 0.360 0.000 1.902 116 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 116 A C 1.796 179.523 177.584 0.239 0.000 1.181 116 A CA 1.886 54.145 52.037 0.369 0.000 0.623 116 A CB -0.593 18.595 19.000 0.313 0.000 0.818 116 A HN 0.475 nan 8.150 nan 0.000 0.443 117 D N -0.922 119.594 120.400 0.193 0.000 2.097 117 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 117 D C 1.623 178.016 176.300 0.156 0.000 0.989 117 D CA 1.362 55.447 54.000 0.141 0.000 0.827 117 D CB -0.570 40.297 40.800 0.112 0.000 0.966 117 D HN 0.456 nan 8.370 nan 0.000 0.456 118 F N 1.499 121.495 119.950 0.078 0.000 2.063 118 F HA -0.264 4.263 4.527 -0.000 0.000 0.298 118 F C 1.938 177.788 175.800 0.083 0.000 1.109 118 F CA 1.275 59.320 58.000 0.074 0.000 1.212 118 F CB -0.336 38.721 39.000 0.093 0.000 0.973 118 F HN -0.115 nan 8.300 nan 0.000 0.480 119 L N 0.736 121.898 121.223 -0.102 0.000 2.017 119 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 119 L C 2.863 179.657 176.870 -0.125 0.000 1.073 119 L CA 1.966 56.689 54.840 -0.195 0.000 0.745 119 L CB -2.194 39.896 42.059 0.052 0.000 0.894 119 L HN 0.331 nan 8.230 nan 0.000 0.432 120 A N -0.841 121.971 122.820 -0.013 0.000 1.908 120 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 120 A C 2.485 180.043 177.584 -0.042 0.000 1.181 120 A CA 2.157 54.192 52.037 -0.004 0.000 0.627 120 A CB -0.467 18.555 19.000 0.038 0.000 0.818 120 A HN 0.398 nan 8.150 nan 0.000 0.445 121 K N -1.248 119.116 120.400 -0.060 0.000 2.186 121 K HA -0.001 4.318 4.320 -0.000 0.000 0.202 121 K C 0.849 177.390 176.600 -0.098 0.000 1.052 121 K CA 1.091 57.344 56.287 -0.057 0.000 0.965 121 K CB 0.009 32.495 32.500 -0.024 0.000 0.746 121 K HN 0.513 nan 8.250 nan 0.000 0.457 122 N N 0.255 118.834 118.700 -0.202 0.000 2.181 122 N HA -0.005 4.735 4.740 -0.000 0.000 0.207 122 N C 0.081 175.470 175.510 -0.201 0.000 1.182 122 N CA 0.348 53.270 53.050 -0.214 0.000 0.893 122 N CB 1.396 39.699 38.487 -0.306 0.000 1.032 122 N HN 0.231 nan 8.380 nan 0.000 0.513 123 T N -2.045 112.391 114.554 -0.198 0.000 2.858 123 T HA 0.306 4.655 4.350 -0.000 0.000 0.285 123 T C 0.704 175.369 174.700 -0.060 0.000 1.052 123 T CA -0.610 61.419 62.100 -0.118 0.000 1.009 123 T CB 1.631 70.423 68.868 -0.127 0.000 1.241 123 T HN -0.065 nan 8.240 nan 0.000 0.542 124 S N -0.348 115.339 115.700 -0.023 0.000 2.622 124 S HA 0.287 4.757 4.470 -0.000 0.000 0.236 124 S C 0.429 175.036 174.600 0.011 0.000 0.956 124 S CA -0.601 57.597 58.200 -0.002 0.000 0.971 124 S CB -0.753 62.454 63.200 0.012 0.000 0.782 124 S HN 0.641 nan 8.310 nan 0.000 0.468 125 V N 3.180 123.097 119.914 0.006 0.000 2.540 125 V HA 0.157 4.277 4.120 -0.000 0.000 0.297 125 V C 0.401 176.501 176.094 0.010 0.000 1.024 125 V CA 0.414 62.726 62.300 0.020 0.000 1.105 125 V CB 0.095 31.929 31.823 0.018 0.000 0.938 125 V HN 0.413 nan 8.190 nan 0.000 0.482 134 W N 4.417 125.566 121.300 -0.251 0.000 2.391 134 W HA 0.745 5.405 4.660 -0.000 0.000 0.311 134 W C 0.009 176.496 176.519 -0.053 0.000 1.087 134 W CA -0.670 56.598 57.345 -0.128 0.000 1.209 134 W CB 1.891 31.242 29.460 -0.181 0.000 1.273 134 W HN 0.577 nan 8.180 nan 0.000 0.482 135 V N 1.002 120.956 119.914 0.067 0.000 2.864 135 V HA 0.745 4.864 4.120 -0.000 0.000 0.314 135 V C 0.262 175.987 176.094 -0.615 0.000 1.073 135 V CA -1.204 61.003 62.300 -0.156 0.000 0.956 135 V CB 1.128 32.922 31.823 -0.049 0.000 1.023 135 V HN 0.540 nan 8.190 nan 0.000 0.435 136 S N 2.325 117.514 115.700 -0.853 0.000 2.589 136 S HA 0.226 4.696 4.470 -0.000 0.000 0.265 136 S C 0.032 174.390 174.600 -0.404 0.000 1.342 136 S CA -0.362 57.209 58.200 -1.049 0.000 1.005 136 S CB 0.321 63.002 63.200 -0.866 0.000 0.909 136 S HN 1.122 nan 8.310 nan 0.000 0.555 137 N N 1.944 120.516 118.700 -0.214 0.000 2.443 137 N HA 0.354 5.094 4.740 -0.000 0.000 0.269 137 N C -2.842 172.721 175.510 0.088 0.000 0.985 137 N CA -1.869 51.165 53.050 -0.025 0.000 0.921 137 N CB 1.725 40.231 38.487 0.033 0.000 1.195 137 N HN 0.443 nan 8.380 nan 0.000 0.492 138 P HA 0.185 nan 4.420 nan 0.000 0.277 138 P C -0.760 176.499 177.300 -0.068 0.000 1.271 138 P CA -0.237 62.849 63.100 -0.024 0.000 0.795 138 P CB 1.036 32.690 31.700 -0.078 0.000 1.101 139 S N -1.833 113.845 115.700 -0.036 0.000 2.634 139 S HA 0.410 4.879 4.470 -0.000 0.000 0.296 139 S C -1.116 173.540 174.600 0.092 0.000 1.104 139 S CA -0.772 57.453 58.200 0.043 0.000 0.920 139 S CB 0.599 63.866 63.200 0.111 0.000 1.111 139 S HN 0.486 nan 8.310 nan 0.000 0.493 140 W N 2.897 124.167 121.300 -0.051 0.000 2.322 140 W HA 0.356 5.016 4.660 -0.000 0.000 0.328 140 W C -2.233 174.195 176.519 -0.150 0.000 1.395 140 W CA -1.413 55.831 57.345 -0.169 0.000 1.267 140 W CB 0.146 29.402 29.460 -0.339 0.000 1.259 140 W HN 0.577 nan 8.180 nan 0.000 0.560 141 P HA -0.233 nan 4.420 nan 0.000 0.216 141 P C 0.699 177.746 177.300 -0.422 0.000 1.150 141 P CA 2.148 65.048 63.100 -0.333 0.000 0.843 141 P CB 0.177 31.676 31.700 -0.334 0.000 0.787 142 N N -2.032 116.154 118.700 -0.856 0.000 2.459 142 N HA -0.122 4.618 4.740 -0.000 0.000 0.181 142 N C 1.572 176.904 175.510 -0.295 0.000 1.046 142 N CA 0.223 52.853 53.050 -0.700 0.000 0.904 142 N CB -0.441 37.381 38.487 -1.108 0.000 0.964 142 N HN 0.393 nan 8.380 nan 0.000 0.444 143 H N 0.911 119.963 119.070 -0.029 0.000 2.290 143 H HA -0.143 4.413 4.556 -0.000 0.000 0.298 143 H C 2.243 177.663 175.328 0.152 0.000 1.087 143 H CA 1.285 57.433 56.048 0.167 0.000 1.291 143 H CB 0.154 30.120 29.762 0.340 0.000 1.369 143 H HN 0.102 nan 8.280 nan 0.000 0.492 144 K N 0.744 121.265 120.400 0.202 0.000 2.026 144 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 144 K C 2.477 179.109 176.600 0.054 0.000 1.048 144 K CA 1.711 58.078 56.287 0.134 0.000 0.929 144 K CB -0.006 32.523 32.500 0.047 0.000 0.713 144 K HN 0.320 nan 8.250 nan 0.000 0.439 145 S N -0.119 115.557 115.700 -0.041 0.000 2.406 145 S HA -0.077 4.392 4.470 -0.000 0.000 0.228 145 S C 2.038 176.584 174.600 -0.090 0.000 1.020 145 S CA 1.050 59.209 58.200 -0.070 0.000 0.965 145 S CB -0.363 62.773 63.200 -0.107 0.000 0.798 145 S HN 0.121 nan 8.310 nan 0.000 0.488 146 V N 1.033 120.846 119.914 -0.167 0.000 2.295 146 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 146 V C 2.256 178.195 176.094 -0.259 0.000 1.049 146 V CA 1.871 64.007 62.300 -0.274 0.000 1.024 146 V CB -0.991 30.567 31.823 -0.441 0.000 0.648 146 V HN 0.452 nan 8.190 nan 0.000 0.447 147 F N 0.694 120.668 119.950 0.040 0.000 2.163 147 F HA -0.055 4.472 4.527 -0.000 0.000 0.297 147 F C 2.205 178.006 175.800 0.003 0.000 1.094 147 F CA 1.416 59.432 58.000 0.027 0.000 1.290 147 F CB -1.130 37.881 39.000 0.019 0.000 1.017 147 F HN 0.183 nan 8.300 nan 0.000 0.483 148 N N -0.319 118.465 118.700 0.141 0.000 2.104 148 N HA -0.194 4.546 4.740 -0.000 0.000 0.190 148 N C 1.907 177.438 175.510 0.035 0.000 1.024 148 N CA 1.407 54.494 53.050 0.061 0.000 0.853 148 N CB -0.288 38.214 38.487 0.025 0.000 1.008 148 N HN 0.086 nan 8.380 nan 0.000 0.424 149 S N 0.205 115.912 115.700 0.012 0.000 2.419 149 S HA -0.088 4.381 4.470 -0.000 0.000 0.235 149 S C 1.700 176.312 174.600 0.019 0.000 1.019 149 S CA 0.988 59.189 58.200 0.001 0.000 0.982 149 S CB -0.090 63.096 63.200 -0.024 0.000 0.789 149 S HN 0.458 nan 8.310 nan 0.000 0.490 150 A N -0.085 122.761 122.820 0.044 0.000 2.278 150 A HA 0.522 4.841 4.320 -0.000 0.000 0.212 150 A C 1.455 179.075 177.584 0.061 0.000 1.213 150 A CA 0.633 52.707 52.037 0.062 0.000 0.840 150 A CB -0.636 18.424 19.000 0.101 0.000 0.866 150 A HN 0.817 nan 8.150 nan 0.000 0.489 151 G N -1.287 107.543 108.800 0.050 0.000 2.132 151 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.234 151 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.234 151 G C 0.062 174.983 174.900 0.035 0.000 0.989 151 G CA 0.444 45.565 45.100 0.034 0.000 0.676 151 G HN 0.428 nan 8.290 nan 0.000 0.522 155 V N 3.220 123.035 119.914 -0.165 0.000 2.487 155 V HA 0.560 4.680 4.120 -0.000 0.000 0.298 155 V C -0.161 175.742 176.094 -0.320 0.000 1.028 155 V CA -0.792 61.381 62.300 -0.211 0.000 0.860 155 V CB 1.593 33.376 31.823 -0.067 0.000 0.991 155 V HN 0.459 nan 8.190 nan 0.000 0.427 156 R N 2.443 122.618 120.500 -0.542 0.000 2.832 156 R HA 0.617 4.957 4.340 -0.000 0.000 0.271 156 R C -0.578 175.521 176.300 -0.336 0.000 0.996 156 R CA -0.743 54.963 56.100 -0.656 0.000 0.977 156 R CB 2.225 31.580 30.300 -1.575 0.000 1.168 156 R HN 0.701 nan 8.270 nan 0.000 0.482 157 E N 1.741 121.862 120.200 -0.131 0.000 2.166 157 E HA 0.239 4.589 4.350 -0.000 0.000 0.275 157 E C -0.959 175.805 176.600 0.273 0.000 0.941 157 E CA -0.589 55.828 56.400 0.029 0.000 0.784 157 E CB 1.544 31.237 29.700 -0.012 0.000 1.115 157 E HN 0.398 nan 8.360 nan 0.000 0.399 158 Y N 0.067 120.492 120.300 0.209 0.000 2.420 158 Y HA 0.695 5.245 4.550 -0.000 0.000 0.334 158 Y C -0.145 175.839 175.900 0.140 0.000 1.094 158 Y CA -1.454 56.752 58.100 0.177 0.000 1.126 158 Y CB 0.726 39.235 38.460 0.081 0.000 1.217 158 Y HN 0.427 nan 8.280 nan 0.000 0.462 159 A N 2.580 125.577 122.820 0.296 0.000 2.462 159 A HA 0.309 4.629 4.320 -0.000 0.000 0.243 159 A C -0.704 177.072 177.584 0.319 0.000 1.076 159 A CA 0.312 52.478 52.037 0.216 0.000 0.773 159 A CB -0.253 18.830 19.000 0.137 0.000 1.010 159 A HN 1.056 nan 8.150 nan 0.000 0.493 160 Y N 1.129 121.481 120.300 0.086 0.000 3.299 160 Y HA 0.215 4.765 4.550 -0.000 0.000 0.195 160 Y C -0.359 175.600 175.900 0.100 0.000 0.972 160 Y CA 0.042 58.188 58.100 0.077 0.000 1.633 160 Y CB 0.193 38.617 38.460 -0.062 0.000 1.465 160 Y HN 0.638 nan 8.280 nan 0.000 0.367 161 Y N 3.252 123.609 120.300 0.094 0.000 2.327 161 Y HA 0.334 4.884 4.550 -0.000 0.000 0.336 161 Y C -0.464 175.436 175.900 0.001 0.000 1.035 161 Y CA -1.331 56.791 58.100 0.036 0.000 1.165 161 Y CB 0.545 39.095 38.460 0.150 0.000 1.181 161 Y HN 0.137 nan 8.280 nan 0.000 0.494 162 D N 5.227 125.374 120.400 -0.423 0.000 2.468 162 D HA 0.206 4.845 4.640 -0.000 0.000 0.218 162 D C 0.595 176.380 176.300 -0.857 0.000 1.155 162 D CA 0.160 53.886 54.000 -0.457 0.000 0.924 162 D CB 0.685 41.300 40.800 -0.309 0.000 1.029 162 D HN 0.747 nan 8.370 nan 0.000 0.515 163 A N 3.535 125.944 122.820 -0.684 0.000 2.248 163 A HA -0.119 4.201 4.320 -0.000 0.000 0.210 163 A C 1.756 178.963 177.584 -0.629 0.000 1.174 163 A CA 0.866 52.536 52.037 -0.611 0.000 0.750 163 A CB -0.252 18.708 19.000 -0.068 0.000 0.780 163 A HN 0.671 nan 8.150 nan 0.000 0.478 164 E N -0.429 119.432 120.200 -0.565 0.000 2.132 164 E HA -0.018 4.332 4.350 -0.000 0.000 0.193 164 E C 1.340 177.580 176.600 -0.600 0.000 0.951 164 E CA 0.400 56.509 56.400 -0.486 0.000 0.843 164 E CB -0.080 29.459 29.700 -0.268 0.000 0.807 164 E HN 0.616 nan 8.360 nan 0.000 0.467 165 N N -0.043 118.358 118.700 -0.498 0.000 2.353 165 N HA -0.021 4.719 4.740 -0.000 0.000 0.185 165 N C -0.715 174.670 175.510 -0.208 0.000 1.098 165 N CA 0.329 53.210 53.050 -0.281 0.000 0.872 165 N CB 0.230 38.619 38.487 -0.164 0.000 0.970 165 N HN 0.219 nan 8.380 nan 0.000 0.467 166 H N -0.342 118.530 119.070 -0.330 0.000 2.591 166 H HA -0.129 4.427 4.556 -0.000 0.000 0.325 166 H C -0.480 174.818 175.328 -0.049 0.000 1.096 166 H CA 0.726 56.635 56.048 -0.232 0.000 1.108 166 H CB -1.854 27.842 29.762 -0.110 0.000 1.590 166 H HN -0.023 nan 8.280 nan 0.000 0.399 167 T N 0.077 114.559 114.554 -0.120 0.000 2.843 167 T HA 0.428 4.777 4.350 -0.000 0.000 0.302 167 T C -0.136 174.495 174.700 -0.116 0.000 1.232 167 T CA -0.989 61.078 62.100 -0.055 0.000 1.009 167 T CB 1.805 70.624 68.868 -0.080 0.000 1.254 167 T HN 0.298 nan 8.240 nan 0.000 0.504 168 L N 2.539 123.690 121.223 -0.119 0.000 2.418 168 L HA 0.210 4.550 4.340 -0.000 0.000 0.274 168 L C 0.095 176.895 176.870 -0.118 0.000 1.135 168 L CA -0.055 54.656 54.840 -0.215 0.000 0.870 168 L CB 0.426 42.349 42.059 -0.228 0.000 1.154 168 L HN 0.614 nan 8.230 nan 0.000 0.462 169 D N 4.007 124.332 120.400 -0.125 0.000 2.508 169 D HA -0.059 4.581 4.640 -0.000 0.000 0.224 169 D C 0.754 177.063 176.300 0.016 0.000 1.171 169 D CA 0.001 53.972 54.000 -0.048 0.000 1.006 169 D CB 0.283 41.048 40.800 -0.058 0.000 1.073 169 D HN 0.387 nan 8.370 nan 0.000 0.513 170 F N 2.254 122.139 119.950 -0.108 0.000 2.146 170 F HA -0.140 4.387 4.527 -0.000 0.000 0.298 170 F C 1.691 177.471 175.800 -0.033 0.000 1.096 170 F CA 1.161 59.111 58.000 -0.083 0.000 1.275 170 F CB 0.307 39.258 39.000 -0.083 0.000 1.008 170 F HN 0.232 nan 8.300 nan 0.000 0.480 171 D N 0.244 120.645 120.400 0.001 0.000 2.117 171 D HA -0.152 4.487 4.640 -0.000 0.000 0.197 171 D C 2.380 178.622 176.300 -0.097 0.000 0.987 171 D CA 1.432 55.389 54.000 -0.073 0.000 0.829 171 D CB -0.612 40.190 40.800 0.002 0.000 0.961 171 D HN 0.361 nan 8.370 nan 0.000 0.460 172 A N 1.183 123.971 122.820 -0.054 0.000 1.902 172 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 172 A C 2.292 179.858 177.584 -0.031 0.000 1.181 172 A CA 0.885 52.905 52.037 -0.029 0.000 0.623 172 A CB -0.836 18.163 19.000 -0.003 0.000 0.818 172 A HN 0.278 nan 8.150 nan 0.000 0.443 173 L N -0.517 120.670 121.223 -0.060 0.000 1.990 173 L HA -0.208 4.132 4.340 -0.000 0.000 0.213 173 L C 2.391 179.176 176.870 -0.141 0.000 1.072 173 L CA 1.995 56.815 54.840 -0.033 0.000 0.755 173 L CB -0.269 41.755 42.059 -0.059 0.000 0.889 173 L HN 0.431 nan 8.230 nan 0.000 0.432 174 I N 0.088 120.493 120.570 -0.275 0.000 2.226 174 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 174 I C 2.113 178.166 176.117 -0.107 0.000 1.100 174 I CA 1.889 63.061 61.300 -0.215 0.000 1.374 174 I CB -0.497 37.322 38.000 -0.300 0.000 1.057 174 I HN 0.391 nan 8.210 nan 0.000 0.413 175 N N 0.207 118.856 118.700 -0.085 0.000 2.069 175 N HA -0.220 4.520 4.740 -0.000 0.000 0.191 175 N C 1.929 177.419 175.510 -0.033 0.000 1.031 175 N CA 1.760 54.785 53.050 -0.042 0.000 0.852 175 N CB -0.168 38.306 38.487 -0.022 0.000 1.018 175 N HN 0.372 nan 8.380 nan 0.000 0.423 176 S N 0.808 116.496 115.700 -0.020 0.000 2.428 176 S HA 0.025 4.495 4.470 -0.000 0.000 0.230 176 S C 1.716 176.247 174.600 -0.115 0.000 1.014 176 S CA 0.482 58.694 58.200 0.021 0.000 0.957 176 S CB -0.338 62.933 63.200 0.119 0.000 0.784 176 S HN 0.239 nan 8.310 nan 0.000 0.499 177 L N 1.872 122.954 121.223 -0.235 0.000 2.610 177 L HA 0.125 4.464 4.340 -0.000 0.000 0.232 177 L C 2.536 179.231 176.870 -0.293 0.000 1.149 177 L CA 0.215 54.742 54.840 -0.522 0.000 0.872 177 L CB -0.668 41.056 42.059 -0.558 0.000 0.992 177 L HN 0.494 nan 8.230 nan 0.000 0.447 178 N N 0.644 119.269 118.700 -0.126 0.000 2.272 178 N HA -0.231 4.509 4.740 -0.000 0.000 0.185 178 N C 1.415 176.909 175.510 -0.027 0.000 1.014 178 N CA 1.163 54.197 53.050 -0.027 0.000 0.870 178 N CB 0.338 38.818 38.487 -0.011 0.000 0.975 178 N HN 0.318 nan 8.380 nan 0.000 0.433 179 E N -0.007 120.129 120.200 -0.107 0.000 2.474 179 E HA 0.259 4.609 4.350 -0.000 0.000 0.195 179 E C -0.345 176.239 176.600 -0.027 0.000 1.039 179 E CA -0.235 56.171 56.400 0.010 0.000 0.881 179 E CB 0.386 30.173 29.700 0.144 0.000 0.970 179 E HN 0.298 nan 8.360 nan 0.000 0.486 180 A N 1.231 123.765 122.820 -0.476 0.000 2.515 180 A HA 0.104 4.424 4.320 -0.000 0.000 0.263 180 A C 0.031 177.691 177.584 0.126 0.000 1.096 180 A CA 0.104 51.801 52.037 -0.567 0.000 0.769 180 A CB 0.041 18.071 19.000 -1.617 0.000 1.040 180 A HN 0.186 nan 8.150 nan 0.000 0.505 181 Q N 1.104 121.039 119.800 0.224 0.000 2.212 181 Q HA 0.548 4.887 4.340 -0.000 0.000 0.238 181 Q C 0.420 176.613 176.000 0.322 0.000 0.955 181 Q CA -0.471 55.483 55.803 0.253 0.000 0.906 181 Q CB 1.422 30.274 28.738 0.190 0.000 1.215 181 Q HN 0.932 nan 8.270 nan 0.000 0.478 182 A N 0.622 123.578 122.820 0.228 0.000 2.561 182 A HA 0.335 4.655 4.320 -0.000 0.000 0.251 182 A C 1.095 178.794 177.584 0.191 0.000 1.062 182 A CA 1.002 53.154 52.037 0.191 0.000 0.761 182 A CB -1.018 18.037 19.000 0.092 0.000 0.986 182 A HN 0.986 nan 8.150 nan 0.000 0.510 183 G N 2.362 111.294 108.800 0.221 0.000 2.175 183 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 183 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 183 G C -0.105 174.903 174.900 0.181 0.000 0.982 183 G CA 0.282 45.489 45.100 0.178 0.000 0.641 183 G HN 0.826 nan 8.290 nan 0.000 0.527 184 D N 0.145 120.683 120.400 0.229 0.000 2.341 184 D HA 0.472 5.112 4.640 -0.000 0.000 0.245 184 D C 0.770 177.163 176.300 0.155 0.000 1.106 184 D CA -0.164 53.954 54.000 0.198 0.000 0.905 184 D CB 1.689 42.649 40.800 0.267 0.000 1.202 184 D HN 0.132 nan 8.370 nan 0.000 0.426 185 V N 2.116 122.086 119.914 0.093 0.000 2.530 185 V HA 0.187 4.307 4.120 -0.000 0.000 0.282 185 V C 0.268 176.334 176.094 -0.047 0.000 1.048 185 V CA -0.497 61.817 62.300 0.024 0.000 0.997 185 V CB 1.428 33.202 31.823 -0.082 0.000 0.987 185 V HN 0.211 nan 8.190 nan 0.000 0.477 186 V N 6.559 126.389 119.914 -0.139 0.000 2.384 186 V HA 0.399 4.519 4.120 -0.000 0.000 0.287 186 V C -0.153 175.625 176.094 -0.526 0.000 1.020 186 V CA -0.512 61.548 62.300 -0.400 0.000 0.850 186 V CB 1.635 33.036 31.823 -0.704 0.000 0.987 186 V HN 0.715 nan 8.190 nan 0.000 0.436 187 L N 5.971 126.912 121.223 -0.470 0.000 2.265 187 L HA 0.605 4.945 4.340 -0.000 0.000 0.288 187 L C -1.155 175.397 176.870 -0.530 0.000 1.058 187 L CA 0.074 54.659 54.840 -0.424 0.000 0.809 187 L CB 0.414 42.270 42.059 -0.338 0.000 1.179 187 L HN 0.499 nan 8.230 nan 0.000 0.429 188 F N 2.146 121.928 119.950 -0.281 0.000 2.522 188 F HA 0.410 4.937 4.527 -0.000 0.000 0.324 188 F C -0.105 175.684 175.800 -0.019 0.000 1.077 188 F CA -0.801 57.102 58.000 -0.163 0.000 0.944 188 F CB 1.160 39.813 39.000 -0.579 0.000 1.175 188 F HN 0.397 nan 8.300 nan 0.000 0.468 189 H N 0.619 119.878 119.070 0.315 0.000 2.580 189 H HA 0.294 4.849 4.556 -0.000 0.000 0.322 189 H C 1.094 176.747 175.328 0.542 0.000 1.082 189 H CA -0.107 56.164 56.048 0.373 0.000 1.383 189 H CB 1.220 31.190 29.762 0.346 0.000 1.450 189 H HN 0.799 nan 8.280 nan 0.000 0.505 190 G N 1.798 110.945 108.800 0.579 0.000 2.418 190 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 190 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 190 G C 0.301 175.471 174.900 0.450 0.000 1.158 190 G CA 1.139 46.387 45.100 0.247 0.000 0.771 190 G HN 0.807 nan 8.290 nan 0.000 0.545 191 C N -5.048 114.655 119.300 0.672 0.000 3.314 191 C HA 0.528 4.987 4.460 -0.000 0.000 0.344 191 C C 0.548 175.850 174.990 0.521 0.000 1.461 191 C CA -0.915 58.462 59.018 0.599 0.000 1.249 191 C CB 0.724 28.791 27.740 0.545 0.000 1.632 191 C HN 0.863 nan 8.230 nan 0.000 0.452 192 C N 2.131 121.652 119.300 0.368 0.000 3.563 192 C HA -0.131 4.328 4.460 -0.000 0.000 0.284 192 C C 0.692 175.799 174.990 0.194 0.000 1.356 192 C CA 1.179 60.305 59.018 0.181 0.000 2.166 192 C CB -3.430 24.262 27.740 -0.079 0.000 1.399 192 C HN 1.191 nan 8.230 nan 0.000 0.583 193 H N 1.775 120.946 119.070 0.168 0.000 3.173 193 H HA 0.000 4.556 4.556 -0.000 0.000 0.311 193 H C 0.501 175.786 175.328 -0.073 0.000 0.972 193 H CA 1.322 57.355 56.048 -0.025 0.000 1.384 193 H CB 0.488 30.195 29.762 -0.091 0.000 1.349 193 H HN 0.708 nan 8.280 nan 0.000 0.582 194 N N 6.889 125.235 118.700 -0.590 0.000 2.479 194 N HA 0.166 4.906 4.740 -0.000 0.000 0.261 194 N C -2.260 172.941 175.510 -0.515 0.000 0.979 194 N CA -2.197 50.664 53.050 -0.315 0.000 0.930 194 N CB 1.627 40.087 38.487 -0.045 0.000 1.172 194 N HN 0.405 nan 8.380 nan 0.000 0.499 195 P HA 0.129 nan 4.420 nan 0.000 0.272 195 P C 0.835 177.921 177.300 -0.356 0.000 1.276 195 P CA 0.271 63.113 63.100 -0.431 0.000 0.871 195 P CB 0.355 31.744 31.700 -0.518 0.000 1.313 196 T N -4.097 110.266 114.554 -0.319 0.000 2.985 196 T HA 0.153 4.502 4.350 -0.000 0.000 0.266 196 T C 1.712 176.481 174.700 0.115 0.000 1.076 196 T CA 1.250 63.172 62.100 -0.296 0.000 1.135 196 T CB -1.332 67.268 68.868 -0.447 0.000 0.890 196 T HN 0.177 nan 8.240 nan 0.000 0.480 197 G N 1.352 110.266 108.800 0.191 0.000 2.148 197 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.254 197 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.254 197 G C -0.018 175.034 174.900 0.254 0.000 0.981 197 G CA 0.129 45.361 45.100 0.220 0.000 0.670 197 G HN 0.596 nan 8.290 nan 0.000 0.528 198 I N 1.601 122.340 120.570 0.282 0.000 2.330 198 I HA 0.416 4.586 4.170 -0.000 0.000 0.289 198 I C -0.578 175.683 176.117 0.241 0.000 1.001 198 I CA -0.911 60.537 61.300 0.247 0.000 1.193 198 I CB 1.224 39.378 38.000 0.256 0.000 1.345 198 I HN -0.059 nan 8.210 nan 0.000 0.461 199 D N 7.720 128.242 120.400 0.203 0.000 2.228 199 D HA 0.475 5.115 4.640 -0.000 0.000 0.247 199 D C -2.303 173.984 176.300 -0.022 0.000 0.995 199 D CA -1.389 52.733 54.000 0.204 0.000 0.903 199 D CB 1.308 42.307 40.800 0.331 0.000 1.205 199 D HN 0.172 nan 8.370 nan 0.000 0.459 200 P HA 0.037 nan 4.420 nan 0.000 0.267 200 P C 0.170 177.276 177.300 -0.323 0.000 1.200 200 P CA -0.034 62.723 63.100 -0.571 0.000 0.772 200 P CB 0.233 31.091 31.700 -1.403 0.000 0.855 201 T N -0.220 114.198 114.554 -0.227 0.000 2.748 201 T HA 0.057 4.407 4.350 -0.000 0.000 0.304 201 T C 1.290 176.045 174.700 0.091 0.000 1.041 201 T CA -0.594 61.483 62.100 -0.039 0.000 1.033 201 T CB 0.209 69.031 68.868 -0.076 0.000 0.995 201 T HN 0.253 nan 8.240 nan 0.000 0.536 202 L N -0.057 121.294 121.223 0.213 0.000 2.042 202 L HA -0.104 4.235 4.340 -0.000 0.000 0.210 202 L C 2.885 179.878 176.870 0.205 0.000 1.076 202 L CA 2.147 57.166 54.840 0.298 0.000 0.749 202 L CB -0.620 41.546 42.059 0.179 0.000 0.893 202 L HN 0.987 nan 8.230 nan 0.000 0.432 203 E N -0.494 119.752 120.200 0.076 0.000 2.058 203 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 203 E C 2.091 178.686 176.600 -0.008 0.000 0.997 203 E CA 1.546 57.960 56.400 0.025 0.000 0.801 203 E CB -0.012 29.673 29.700 -0.025 0.000 0.746 203 E HN 0.601 nan 8.360 nan 0.000 0.450 204 Q N -0.625 119.083 119.800 -0.154 0.000 2.124 204 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 204 Q C 1.913 177.937 176.000 0.039 0.000 0.977 204 Q CA 1.662 57.270 55.803 -0.325 0.000 0.850 204 Q CB -0.257 27.989 28.738 -0.820 0.000 0.901 204 Q HN 0.477 nan 8.270 nan 0.000 0.429 205 W N 1.252 122.603 121.300 0.086 0.000 2.338 205 W HA -0.225 4.435 4.660 -0.000 0.000 0.304 205 W C 2.386 179.004 176.519 0.165 0.000 1.212 205 W CA 0.864 58.326 57.345 0.196 0.000 1.264 205 W CB 0.065 29.630 29.460 0.174 0.000 1.142 205 W HN 0.245 nan 8.180 nan 0.000 0.512 206 Q N -0.820 119.175 119.800 0.326 0.000 2.079 206 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 206 Q C 2.074 178.133 176.000 0.099 0.000 0.974 206 Q CA 2.131 58.027 55.803 0.156 0.000 0.840 206 Q CB -0.515 28.285 28.738 0.103 0.000 0.898 206 Q HN 0.165 nan 8.270 nan 0.000 0.430 207 T N 1.189 115.829 114.554 0.142 0.000 2.746 207 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 207 T C 1.789 176.589 174.700 0.166 0.000 1.039 207 T CA 0.899 63.092 62.100 0.156 0.000 1.142 207 T CB -0.183 68.845 68.868 0.267 0.000 0.866 207 T HN 0.180 nan 8.240 nan 0.000 0.444 208 L N 0.649 122.040 121.223 0.281 0.000 2.083 208 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 208 L C 3.013 179.874 176.870 -0.014 0.000 1.083 208 L CA 1.087 56.108 54.840 0.301 0.000 0.752 208 L CB -0.630 41.733 42.059 0.506 0.000 0.899 208 L HN 0.248 nan 8.230 nan 0.000 0.433 209 A N -0.461 122.153 122.820 -0.344 0.000 1.898 209 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 209 A C 2.220 179.595 177.584 -0.350 0.000 1.181 209 A CA 1.388 52.922 52.037 -0.839 0.000 0.620 209 A CB -0.386 18.239 19.000 -0.624 0.000 0.819 209 A HN 0.459 nan 8.150 nan 0.000 0.442 210 Q N -0.643 119.037 119.800 -0.200 0.000 2.020 210 Q HA -0.115 4.224 4.340 -0.000 0.000 0.202 210 Q C 2.168 178.043 176.000 -0.207 0.000 0.982 210 Q CA 1.358 57.057 55.803 -0.173 0.000 0.838 210 Q CB -0.346 28.334 28.738 -0.098 0.000 0.899 210 Q HN 0.626 nan 8.270 nan 0.000 0.423 211 L N 0.983 122.100 121.223 -0.177 0.000 2.042 211 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 211 L C 2.328 178.871 176.870 -0.544 0.000 1.076 211 L CA 1.967 56.637 54.840 -0.284 0.000 0.749 211 L CB -0.507 41.450 42.059 -0.169 0.000 0.893 211 L HN 0.330 nan 8.230 nan 0.000 0.432 212 S N -1.355 114.127 115.700 -0.363 0.000 2.387 212 S HA -0.119 4.351 4.470 -0.000 0.000 0.226 212 S C 1.934 176.382 174.600 -0.252 0.000 1.026 212 S CA 1.005 59.014 58.200 -0.319 0.000 0.972 212 S CB -0.757 62.774 63.200 0.551 0.000 0.814 212 S HN 0.253 nan 8.310 nan 0.000 0.477 213 V N 2.779 122.512 119.914 -0.302 0.000 2.287 213 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 213 V C 2.845 178.758 176.094 -0.302 0.000 1.053 213 V CA 2.341 64.406 62.300 -0.391 0.000 1.027 213 V CB -0.830 30.715 31.823 -0.463 0.000 0.646 213 V HN 0.663 nan 8.190 nan 0.000 0.447 214 E N 0.153 120.162 120.200 -0.320 0.000 2.058 214 E HA -0.306 4.044 4.350 -0.000 0.000 0.194 214 E C 2.102 178.507 176.600 -0.326 0.000 0.997 214 E CA 1.787 58.020 56.400 -0.279 0.000 0.801 214 E CB -0.082 29.462 29.700 -0.260 0.000 0.746 214 E HN 0.459 nan 8.360 nan 0.000 0.450 215 K N -0.894 119.177 120.400 -0.548 0.000 2.418 215 K HA 0.087 4.407 4.320 -0.000 0.000 0.195 215 K C 0.680 177.011 176.600 -0.447 0.000 1.035 215 K CA 0.761 56.663 56.287 -0.641 0.000 1.003 215 K CB 0.456 32.145 32.500 -1.352 0.000 0.793 215 K HN 0.341 nan 8.250 nan 0.000 0.494 216 G N 0.513 109.120 108.800 -0.322 0.000 2.182 216 G HA2 -0.180 3.779 3.960 -0.000 0.000 0.248 216 G HA3 -0.180 3.779 3.960 -0.000 0.000 0.248 216 G C -0.571 174.415 174.900 0.144 0.000 1.042 216 G CA -0.113 44.949 45.100 -0.063 0.000 0.775 216 G HN 0.075 nan 8.290 nan 0.000 0.501 217 W N -0.551 120.824 121.300 0.125 0.000 2.237 217 W HA 0.640 5.300 4.660 -0.000 0.000 0.335 217 W C 0.652 177.303 176.519 0.221 0.000 1.230 217 W CA -1.563 55.873 57.345 0.151 0.000 1.253 217 W CB 0.497 30.048 29.460 0.152 0.000 1.129 217 W HN 0.075 nan 8.180 nan 0.000 0.590 218 L N 5.648 127.123 121.223 0.420 0.000 2.255 218 L HA 0.292 4.632 4.340 -0.000 0.000 0.289 218 L C -2.090 174.968 176.870 0.315 0.000 1.046 218 L CA -1.706 53.333 54.840 0.332 0.000 0.816 218 L CB 1.097 43.300 42.059 0.241 0.000 1.197 218 L HN -0.051 nan 8.230 nan 0.000 0.427 219 P HA 0.221 nan 4.420 nan 0.000 0.281 219 P C -1.052 176.397 177.300 0.248 0.000 1.252 219 P CA -0.172 63.140 63.100 0.353 0.000 0.778 219 P CB 1.084 33.045 31.700 0.435 0.000 0.895 220 L N 4.421 125.715 121.223 0.117 0.000 2.349 220 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 220 L C -1.239 175.653 176.870 0.037 0.000 0.996 220 L CA -0.769 54.147 54.840 0.127 0.000 0.825 220 L CB 0.548 42.643 42.059 0.059 0.000 1.243 220 L HN 0.165 nan 8.230 nan 0.000 0.412 221 F N 3.080 123.070 119.950 0.067 0.000 2.415 221 F HA 0.295 4.822 4.527 -0.000 0.000 0.348 221 F C 0.374 176.210 175.800 0.060 0.000 1.119 221 F CA -0.408 57.615 58.000 0.038 0.000 1.069 221 F CB 1.174 40.113 39.000 -0.102 0.000 1.124 221 F HN 0.389 nan 8.300 nan 0.000 0.472 222 D N 3.985 124.477 120.400 0.154 0.000 2.347 222 D HA 0.112 4.752 4.640 -0.000 0.000 0.235 222 D C -1.281 175.164 176.300 0.241 0.000 1.149 222 D CA -0.060 54.008 54.000 0.114 0.000 0.850 222 D CB 0.410 41.178 40.800 -0.054 0.000 1.061 222 D HN 0.223 nan 8.370 nan 0.000 0.487 223 F N 3.688 123.650 119.950 0.020 0.000 2.449 223 F HA 0.457 4.984 4.527 -0.000 0.000 0.344 223 F C 0.358 176.097 175.800 -0.101 0.000 1.180 223 F CA -1.332 56.678 58.000 0.017 0.000 1.209 223 F CB 0.663 39.655 39.000 -0.013 0.000 1.440 223 F HN 0.436 nan 8.300 nan 0.000 0.526 224 A N 2.482 125.245 122.820 -0.095 0.000 2.348 224 A HA 0.152 4.472 4.320 -0.000 0.000 0.224 224 A C -0.007 177.210 177.584 -0.613 0.000 1.227 224 A CA 0.424 52.186 52.037 -0.458 0.000 0.885 224 A CB -0.299 18.298 19.000 -0.672 0.000 0.933 224 A HN 0.506 nan 8.150 nan 0.000 0.506 225 Y N -0.309 119.962 120.300 -0.049 0.000 2.719 225 Y HA 0.276 4.826 4.550 -0.000 0.000 0.251 225 Y C 0.602 176.561 175.900 0.098 0.000 1.159 225 Y CA -0.913 57.260 58.100 0.122 0.000 1.166 225 Y CB -0.095 38.450 38.460 0.143 0.000 1.219 225 Y HN 0.411 nan 8.280 nan 0.000 0.551 226 Q N 0.826 120.480 119.800 -0.243 0.000 2.247 226 Q HA 0.313 4.653 4.340 -0.000 0.000 0.288 226 Q C 1.244 177.179 176.000 -0.108 0.000 1.079 226 Q CA 1.658 57.242 55.803 -0.364 0.000 0.932 226 Q CB 0.136 28.361 28.738 -0.855 0.000 1.133 226 Q HN 0.741 nan 8.270 nan 0.000 0.377 227 G N 3.255 112.018 108.800 -0.063 0.000 2.195 227 G HA2 -0.279 3.680 3.960 -0.000 0.000 0.224 227 G HA3 -0.279 3.680 3.960 -0.000 0.000 0.224 227 G C 0.210 174.951 174.900 -0.266 0.000 0.990 227 G CA 0.130 45.101 45.100 -0.215 0.000 0.639 227 G HN 0.668 nan 8.290 nan 0.000 0.514 228 F N 1.022 120.981 119.950 0.013 0.000 2.731 228 F HA 0.553 5.080 4.527 -0.000 0.000 0.298 228 F C 2.483 178.298 175.800 0.025 0.000 1.106 228 F CA 1.106 59.114 58.000 0.015 0.000 1.329 228 F CB 0.359 39.404 39.000 0.075 0.000 1.100 228 F HN 0.339 nan 8.300 nan 0.000 0.592 229 A N 0.500 123.453 122.820 0.221 0.000 1.878 229 A HA 0.117 4.436 4.320 -0.000 0.000 0.215 229 A C 2.042 179.691 177.584 0.108 0.000 1.310 229 A CA 0.917 53.058 52.037 0.174 0.000 0.612 229 A CB -0.142 18.990 19.000 0.219 0.000 0.989 229 A HN 0.223 nan 8.150 nan 0.000 0.472 230 R N -2.339 118.214 120.500 0.088 0.000 2.320 230 R HA 0.404 4.744 4.340 -0.000 0.000 0.193 230 R C 0.632 176.928 176.300 -0.007 0.000 0.885 230 R CA 0.623 56.750 56.100 0.044 0.000 1.085 230 R CB 1.005 31.343 30.300 0.063 0.000 1.253 230 R HN 0.623 nan 8.270 nan 0.000 0.636 234 E N 1.259 121.471 120.200 0.020 0.000 2.076 234 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 234 E C 1.581 178.210 176.600 0.049 0.000 0.979 234 E CA 1.311 57.733 56.400 0.036 0.000 0.807 234 E CB 0.150 29.861 29.700 0.019 0.000 0.761 234 E HN 0.447 nan 8.360 nan 0.000 0.454 235 E N 1.350 121.577 120.200 0.046 0.000 2.070 235 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 235 E C 1.681 178.343 176.600 0.103 0.000 1.004 235 E CA 1.550 57.989 56.400 0.064 0.000 0.805 235 E CB -0.148 29.587 29.700 0.059 0.000 0.744 235 E HN 0.166 nan 8.360 nan 0.000 0.451 236 D N -0.191 120.296 120.400 0.145 0.000 2.263 236 D HA -0.089 4.550 4.640 -0.000 0.000 0.208 236 D C 1.366 177.821 176.300 0.258 0.000 0.971 236 D CA 1.238 55.390 54.000 0.253 0.000 0.867 236 D CB -0.176 40.809 40.800 0.309 0.000 0.929 236 D HN 0.239 nan 8.370 nan 0.000 0.492 237 A N 0.245 123.177 122.820 0.186 0.000 2.251 237 A HA 0.004 4.323 4.320 -0.000 0.000 0.209 237 A C 1.792 179.256 177.584 -0.200 0.000 1.187 237 A CA 0.161 52.199 52.037 0.001 0.000 0.823 237 A CB -0.210 18.850 19.000 0.100 0.000 0.846 237 A HN 0.105 nan 8.150 nan 0.000 0.486 238 E N -0.027 120.091 120.200 -0.138 0.000 2.077 238 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 238 E C 2.143 178.538 176.600 -0.341 0.000 0.989 238 E CA 0.984 57.294 56.400 -0.150 0.000 0.800 238 E CB -0.261 29.423 29.700 -0.026 0.000 0.746 238 E HN 0.606 nan 8.360 nan 0.000 0.452 239 G N 1.689 110.050 108.800 -0.731 0.000 2.459 239 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.217 239 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.217 239 G C 1.547 175.836 174.900 -1.020 0.000 1.183 239 G CA 0.438 44.636 45.100 -1.504 0.000 0.776 239 G HN 0.154 nan 8.290 nan 0.000 0.552 240 L N 0.161 120.691 121.223 -1.155 0.000 2.021 240 L HA -0.161 4.179 4.340 -0.000 0.000 0.215 240 L C 3.226 179.804 176.870 -0.486 0.000 1.074 240 L CA 1.729 55.863 54.840 -1.177 0.000 0.760 240 L CB -0.210 41.180 42.059 -1.115 0.000 0.889 240 L HN 0.248 nan 8.230 nan 0.000 0.433 241 R N -0.703 119.621 120.500 -0.292 0.000 2.115 241 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 241 R C 2.236 178.506 176.300 -0.050 0.000 1.100 241 R CA 1.007 57.053 56.100 -0.089 0.000 0.980 241 R CB -0.365 29.910 30.300 -0.042 0.000 0.875 241 R HN 0.435 nan 8.270 nan 0.000 0.445 242 A N 0.877 123.664 122.820 -0.056 0.000 1.930 242 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 242 A C 1.798 179.431 177.584 0.081 0.000 1.175 242 A CA 1.051 53.104 52.037 0.027 0.000 0.627 242 A CB -0.489 18.558 19.000 0.079 0.000 0.815 242 A HN 0.163 nan 8.150 nan 0.000 0.443 243 F N 0.242 120.142 119.950 -0.084 0.000 2.134 243 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 243 F C 2.779 178.610 175.800 0.052 0.000 1.097 243 F CA 1.011 59.022 58.000 0.019 0.000 1.264 243 F CB -0.538 38.406 39.000 -0.092 0.000 1.001 243 F HN 0.255 nan 8.300 nan 0.000 0.479 244 A N -0.264 122.614 122.820 0.095 0.000 1.972 244 A HA -0.048 4.271 4.320 -0.000 0.000 0.219 244 A C 2.338 179.916 177.584 -0.011 0.000 1.169 244 A CA 1.543 53.576 52.037 -0.007 0.000 0.635 244 A CB -1.232 17.693 19.000 -0.124 0.000 0.810 244 A HN 0.294 nan 8.150 nan 0.000 0.446 245 A N -1.469 121.352 122.820 0.001 0.000 2.067 245 A HA 0.025 4.344 4.320 -0.000 0.000 0.219 245 A C 2.009 179.578 177.584 -0.024 0.000 1.158 245 A CA 1.673 53.696 52.037 -0.022 0.000 0.661 245 A CB -0.275 18.712 19.000 -0.021 0.000 0.801 245 A HN 0.452 nan 8.150 nan 0.000 0.452 246 M N -1.748 117.856 119.600 0.006 0.000 2.638 246 M HA 0.204 4.684 4.480 -0.000 0.000 0.256 246 M C -0.036 176.182 176.300 -0.137 0.000 1.282 246 M CA 0.449 55.698 55.300 -0.084 0.000 1.155 246 M CB -0.713 31.798 32.600 -0.149 0.000 1.345 246 M HN 0.356 nan 8.290 nan 0.000 0.523 247 H N 0.391 119.443 119.070 -0.030 0.000 2.481 247 H HA 0.211 4.767 4.556 -0.000 0.000 0.339 247 H C 0.775 176.107 175.328 0.008 0.000 1.131 247 H CA 0.229 56.287 56.048 0.016 0.000 1.301 247 H CB 1.594 31.421 29.762 0.109 0.000 1.476 247 H HN -0.183 nan 8.280 nan 0.000 0.529 248 K N 0.749 121.213 120.400 0.106 0.000 2.116 248 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 248 K C -0.314 176.353 176.600 0.111 0.000 1.052 248 K CA 1.011 57.341 56.287 0.071 0.000 0.952 248 K CB 0.490 33.021 32.500 0.052 0.000 0.729 248 K HN 0.642 nan 8.250 nan 0.000 0.446 249 E N -0.682 119.632 120.200 0.191 0.000 2.356 249 E HA 0.539 4.889 4.350 -0.000 0.000 0.275 249 E C -1.586 175.157 176.600 0.238 0.000 0.904 249 E CA -0.650 55.866 56.400 0.194 0.000 0.757 249 E CB 2.507 32.324 29.700 0.195 0.000 1.232 249 E HN -0.068 nan 8.360 nan 0.000 0.442 250 L N 2.327 123.675 121.223 0.207 0.000 2.731 250 L HA 0.507 4.847 4.340 -0.000 0.000 0.256 250 L C -2.096 174.903 176.870 0.216 0.000 0.947 250 L CA -0.384 54.586 54.840 0.218 0.000 0.914 250 L CB 1.505 43.672 42.059 0.181 0.000 1.470 250 L HN 0.597 nan 8.230 nan 0.000 0.421 251 I N 3.545 124.262 120.570 0.245 0.000 2.582 251 I HA 0.589 4.759 4.170 -0.000 0.000 0.292 251 I C -1.084 175.182 176.117 0.248 0.000 1.066 251 I CA -0.915 60.522 61.300 0.227 0.000 1.053 251 I CB 2.227 40.367 38.000 0.232 0.000 1.241 251 I HN 0.184 nan 8.210 nan 0.000 0.421 252 V N 4.437 124.477 119.914 0.209 0.000 2.444 252 V HA 0.631 4.750 4.120 -0.000 0.000 0.294 252 V C 0.038 176.229 176.094 0.162 0.000 1.022 252 V CA -0.640 61.775 62.300 0.192 0.000 0.850 252 V CB 1.646 33.532 31.823 0.105 0.000 0.992 252 V HN 0.809 nan 8.190 nan 0.000 0.426 253 A N 3.863 126.788 122.820 0.175 0.000 2.322 253 A HA 0.763 5.083 4.320 -0.000 0.000 0.327 253 A C 0.342 177.985 177.584 0.099 0.000 1.394 253 A CA -0.298 51.824 52.037 0.140 0.000 0.921 253 A CB 0.360 19.458 19.000 0.163 0.000 1.153 253 A HN 0.988 nan 8.150 nan 0.000 0.523 254 S N 1.378 117.098 115.700 0.034 0.000 2.664 254 S HA 0.862 5.332 4.470 -0.000 0.000 0.304 254 S C -0.068 174.421 174.600 -0.184 0.000 1.099 254 S CA -0.509 57.642 58.200 -0.081 0.000 1.003 254 S CB 1.768 64.868 63.200 -0.165 0.000 1.092 254 S HN 1.076 nan 8.310 nan 0.000 0.525 255 S N -0.350 115.146 115.700 -0.339 0.000 2.549 255 S HA 0.603 5.073 4.470 -0.000 0.000 0.280 255 S C -1.497 172.842 174.600 -0.435 0.000 1.109 255 S CA -0.614 57.414 58.200 -0.287 0.000 0.905 255 S CB 0.847 63.920 63.200 -0.211 0.000 1.081 255 S HN 0.692 nan 8.310 nan 0.000 0.477 256 Y N 1.577 121.860 120.300 -0.028 0.000 2.584 256 Y HA 0.405 4.955 4.550 -0.000 0.000 0.254 256 Y C 1.436 177.341 175.900 0.009 0.000 1.177 256 Y CA -0.350 57.770 58.100 0.034 0.000 1.216 256 Y CB 0.286 38.701 38.460 -0.075 0.000 1.172 256 Y HN 0.464 nan 8.280 nan 0.000 0.529 260 F N 2.028 122.098 119.950 0.200 0.000 2.661 260 F HA 0.601 5.128 4.527 -0.000 0.000 0.306 260 F C 1.162 176.959 175.800 -0.004 0.000 1.094 260 F CA 0.285 58.358 58.000 0.122 0.000 1.254 260 F CB 0.981 39.942 39.000 -0.064 0.000 1.040 260 F HN 0.201 nan 8.300 nan 0.000 0.562 261 A N 1.004 123.833 122.820 0.014 0.000 2.596 261 A HA -0.243 4.077 4.320 -0.000 0.000 0.300 261 A C 0.644 178.102 177.584 -0.210 0.000 1.495 261 A CA 0.808 52.728 52.037 -0.194 0.000 0.769 261 A CB -1.976 17.112 19.000 0.146 0.000 1.047 261 A HN 0.503 nan 8.150 nan 0.000 0.436 262 L N -1.108 119.916 121.223 -0.332 0.000 3.066 262 L HA 0.177 4.516 4.340 -0.000 0.000 0.265 262 L C 1.491 178.326 176.870 -0.058 0.000 1.232 262 L CA -0.267 54.519 54.840 -0.089 0.000 1.031 262 L CB -0.084 41.959 42.059 -0.027 0.000 1.379 262 L HN 0.677 nan 8.230 nan 0.000 0.563 263 Y N 0.453 120.813 120.300 0.101 0.000 2.062 263 Y HA -0.412 4.138 4.550 -0.000 0.000 0.273 263 Y C 2.320 178.251 175.900 0.051 0.000 1.206 263 Y CA 2.310 60.454 58.100 0.073 0.000 1.125 263 Y CB -0.875 37.628 38.460 0.073 0.000 0.951 263 Y HN 0.516 nan 8.280 nan 0.000 0.501 264 N N -0.540 118.297 118.700 0.229 0.000 2.461 264 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 264 N C 0.872 176.425 175.510 0.073 0.000 1.134 264 N CA 0.489 53.616 53.050 0.129 0.000 0.878 264 N CB -0.016 38.539 38.487 0.112 0.000 0.972 264 N HN 0.329 nan 8.380 nan 0.000 0.456 265 E N 0.926 121.165 120.200 0.065 0.000 2.474 265 E HA 0.029 4.379 4.350 -0.000 0.000 0.194 265 E C -0.184 176.409 176.600 -0.011 0.000 1.041 265 E CA -0.016 56.406 56.400 0.036 0.000 0.874 265 E CB 0.152 29.885 29.700 0.055 0.000 0.914 265 E HN 0.247 nan 8.360 nan 0.000 0.498 266 R N -0.195 120.304 120.500 -0.001 0.000 2.873 266 R HA -0.117 4.222 4.340 -0.000 0.000 0.281 266 R C -0.835 175.431 176.300 -0.057 0.000 0.933 266 R CA 0.215 56.300 56.100 -0.025 0.000 0.712 266 R CB -2.975 27.293 30.300 -0.054 0.000 1.780 266 R HN -0.090 nan 8.270 nan 0.000 0.488 267 V N 0.746 120.649 119.914 -0.017 0.000 2.349 267 V HA 0.845 4.965 4.120 -0.000 0.000 0.284 267 V C 1.028 177.228 176.094 0.175 0.000 1.014 267 V CA 0.020 62.323 62.300 0.004 0.000 0.826 267 V CB 2.021 33.823 31.823 -0.035 0.000 1.009 267 V HN 0.750 nan 8.190 nan 0.000 0.431 268 G N 2.795 111.710 108.800 0.190 0.000 2.749 268 G HA2 0.940 4.900 3.960 -0.000 0.000 0.300 268 G HA3 0.940 4.900 3.960 -0.000 0.000 0.300 268 G C -1.411 173.693 174.900 0.340 0.000 1.352 268 G CA -0.233 45.002 45.100 0.224 0.000 0.789 268 G HN 1.162 nan 8.290 nan 0.000 0.509 269 A N -1.639 121.313 122.820 0.221 0.000 2.517 269 A HA 0.572 4.892 4.320 -0.000 0.000 0.297 269 A C -1.201 176.479 177.584 0.160 0.000 1.050 269 A CA -0.315 51.875 52.037 0.254 0.000 0.694 269 A CB 1.294 20.430 19.000 0.226 0.000 1.277 269 A HN 1.685 nan 8.150 nan 0.000 0.400 270 C N 2.465 121.875 119.300 0.184 0.000 2.264 270 C HA 0.752 5.212 4.460 -0.000 0.000 0.322 270 C C 0.213 175.296 174.990 0.155 0.000 1.210 270 C CA 0.078 59.194 59.018 0.163 0.000 1.539 270 C CB -0.798 27.043 27.740 0.168 0.000 2.167 270 C HN 0.786 nan 8.230 nan 0.000 0.463 271 T N 7.005 121.633 114.554 0.123 0.000 2.767 271 T HA 0.390 4.739 4.350 -0.000 0.000 0.284 271 T C -0.441 174.329 174.700 0.118 0.000 0.973 271 T CA -0.157 62.008 62.100 0.108 0.000 0.996 271 T CB 0.908 69.840 68.868 0.107 0.000 0.927 271 T HN 0.630 nan 8.240 nan 0.000 0.456 272 L N 4.391 125.651 121.223 0.061 0.000 2.307 272 L HA 0.673 5.013 4.340 -0.000 0.000 0.284 272 L C -1.013 175.880 176.870 0.038 0.000 1.023 272 L CA -0.761 54.105 54.840 0.043 0.000 0.810 272 L CB 1.318 43.372 42.059 -0.008 0.000 1.231 272 L HN 0.387 nan 8.230 nan 0.000 0.423 273 V N 4.069 124.027 119.914 0.073 0.000 2.540 273 V HA 0.790 4.910 4.120 -0.000 0.000 0.302 273 V C 0.020 176.151 176.094 0.062 0.000 1.035 273 V CA -0.411 61.907 62.300 0.030 0.000 0.873 273 V CB 1.500 33.321 31.823 -0.004 0.000 0.992 273 V HN 0.917 nan 8.190 nan 0.000 0.428 274 A N 3.290 126.132 122.820 0.037 0.000 2.475 274 A HA 0.937 5.257 4.320 -0.000 0.000 0.281 274 A C 1.087 178.689 177.584 0.030 0.000 1.263 274 A CA 0.107 52.181 52.037 0.062 0.000 0.776 274 A CB 1.134 20.184 19.000 0.084 0.000 1.347 274 A HN 1.128 nan 8.150 nan 0.000 0.443 275 A N -0.702 122.141 122.820 0.038 0.000 1.969 275 A HA 0.286 4.606 4.320 -0.000 0.000 0.218 275 A C 0.580 178.166 177.584 0.003 0.000 1.169 275 A CA 2.301 54.349 52.037 0.018 0.000 0.635 275 A CB -0.662 18.352 19.000 0.023 0.000 0.810 275 A HN 1.035 nan 8.150 nan 0.000 0.445 276 D N -4.463 115.943 120.400 0.010 0.000 2.677 276 D HA 0.314 4.954 4.640 -0.000 0.000 0.298 276 D C 0.518 176.822 176.300 0.006 0.000 1.250 276 D CA 0.156 54.157 54.000 0.002 0.000 0.888 276 D CB 0.429 41.232 40.800 0.005 0.000 1.397 276 D HN -0.157 nan 8.370 nan 0.000 0.461 277 S N -1.186 114.515 115.700 0.002 0.000 2.383 277 S HA -0.182 4.287 4.470 -0.000 0.000 0.227 277 S C 1.386 175.999 174.600 0.020 0.000 1.026 277 S CA 1.610 59.812 58.200 0.003 0.000 0.981 277 S CB -0.438 62.762 63.200 -0.001 0.000 0.818 277 S HN 0.502 nan 8.310 nan 0.000 0.472 278 E N 0.192 120.408 120.200 0.026 0.000 2.106 278 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 278 E C 1.778 178.410 176.600 0.053 0.000 0.984 278 E CA 1.527 57.950 56.400 0.037 0.000 0.806 278 E CB -0.459 29.260 29.700 0.032 0.000 0.750 278 E HN 0.534 nan 8.360 nan 0.000 0.458 279 T N 0.791 115.376 114.554 0.052 0.000 2.737 279 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 279 T C 1.891 176.647 174.700 0.093 0.000 1.038 279 T CA 1.203 63.346 62.100 0.072 0.000 1.144 279 T CB -0.289 68.619 68.868 0.066 0.000 0.866 279 T HN 0.056 nan 8.240 nan 0.000 0.434 280 V N 1.836 121.793 119.914 0.071 0.000 2.515 280 V HA -0.136 3.984 4.120 -0.000 0.000 0.250 280 V C 1.893 178.048 176.094 0.103 0.000 1.058 280 V CA 1.817 64.161 62.300 0.072 0.000 1.064 280 V CB -0.469 31.360 31.823 0.010 0.000 0.675 280 V HN 0.384 nan 8.190 nan 0.000 0.461 281 D N -0.290 120.164 120.400 0.091 0.000 2.117 281 D HA -0.160 4.480 4.640 -0.000 0.000 0.198 281 D C 2.219 178.618 176.300 0.166 0.000 0.982 281 D CA 1.401 55.480 54.000 0.133 0.000 0.828 281 D CB -0.277 40.577 40.800 0.090 0.000 0.967 281 D HN 0.437 nan 8.370 nan 0.000 0.464 282 R N 0.727 121.305 120.500 0.131 0.000 2.075 282 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 282 R C 2.049 178.450 176.300 0.167 0.000 1.126 282 R CA 1.349 57.524 56.100 0.126 0.000 0.963 282 R CB -0.081 30.278 30.300 0.099 0.000 0.858 282 R HN 0.083 nan 8.270 nan 0.000 0.435 283 A N 0.175 123.121 122.820 0.211 0.000 1.930 283 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 283 A C 1.895 179.656 177.584 0.294 0.000 1.175 283 A CA 0.855 53.081 52.037 0.315 0.000 0.627 283 A CB -0.660 18.561 19.000 0.368 0.000 0.815 283 A HN 0.491 nan 8.150 nan 0.000 0.443 284 F N 1.429 121.404 119.950 0.042 0.000 2.293 284 F HA 0.009 4.536 4.527 -0.000 0.000 0.300 284 F C 2.243 178.052 175.800 0.016 0.000 1.086 284 F CA 0.789 58.772 58.000 -0.028 0.000 1.375 284 F CB -0.690 38.300 39.000 -0.017 0.000 1.045 284 F HN 0.209 nan 8.300 nan 0.000 0.516 285 G N -0.530 108.315 108.800 0.075 0.000 2.442 285 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.219 285 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.219 285 G C 1.541 176.426 174.900 -0.025 0.000 1.141 285 G CA 0.658 45.751 45.100 -0.010 0.000 0.763 285 G HN 0.338 nan 8.290 nan 0.000 0.554 286 Q N -0.727 119.124 119.800 0.086 0.000 2.269 286 Q HA 0.186 4.526 4.340 -0.000 0.000 0.201 286 Q C 2.392 178.498 176.000 0.177 0.000 0.946 286 Q CA 0.412 56.309 55.803 0.156 0.000 0.877 286 Q CB -0.131 28.763 28.738 0.260 0.000 0.963 286 Q HN 0.595 nan 8.270 nan 0.000 0.472 287 M N 0.832 120.465 119.600 0.054 0.000 2.117 287 M HA -0.202 4.278 4.480 -0.000 0.000 0.262 287 M C 1.748 177.903 176.300 -0.243 0.000 1.065 287 M CA 1.598 56.809 55.300 -0.149 0.000 1.114 287 M CB 0.095 32.443 32.600 -0.420 0.000 1.361 287 M HN -0.041 nan 8.290 nan 0.000 0.408 288 K N 0.173 120.326 120.400 -0.413 0.000 2.063 288 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 288 K C 1.975 178.460 176.600 -0.191 0.000 1.048 288 K CA 1.584 57.663 56.287 -0.346 0.000 0.928 288 K CB -0.415 31.864 32.500 -0.368 0.000 0.713 288 K HN 0.468 nan 8.250 nan 0.000 0.442 289 A N 1.421 124.171 122.820 -0.117 0.000 1.940 289 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 289 A C 2.359 179.905 177.584 -0.063 0.000 1.176 289 A CA 1.957 53.953 52.037 -0.069 0.000 0.631 289 A CB -0.757 18.230 19.000 -0.021 0.000 0.814 289 A HN 0.357 nan 8.150 nan 0.000 0.446 290 A N -0.459 122.343 122.820 -0.029 0.000 1.969 290 A HA -0.016 4.304 4.320 -0.000 0.000 0.218 290 A C 2.084 179.603 177.584 -0.109 0.000 1.169 290 A CA 1.468 53.497 52.037 -0.013 0.000 0.635 290 A CB -0.496 18.557 19.000 0.088 0.000 0.810 290 A HN 0.514 nan 8.150 nan 0.000 0.445 291 I N -1.400 119.055 120.570 -0.192 0.000 2.333 291 I HA -0.143 4.027 4.170 -0.000 0.000 0.246 291 I C 2.650 178.512 176.117 -0.424 0.000 1.106 291 I CA 0.836 61.892 61.300 -0.408 0.000 1.411 291 I CB -0.307 37.465 38.000 -0.380 0.000 1.082 291 I HN 0.280 nan 8.210 nan 0.000 0.420 292 R N 1.312 121.654 120.500 -0.262 0.000 2.103 292 R HA -0.228 4.112 4.340 -0.000 0.000 0.242 292 R C 1.218 177.423 176.300 -0.160 0.000 1.142 292 R CA 2.011 57.992 56.100 -0.197 0.000 0.960 292 R CB -0.524 29.692 30.300 -0.140 0.000 0.858 292 R HN 0.317 nan 8.270 nan 0.000 0.439 293 D N -0.041 120.280 120.400 -0.132 0.000 2.371 293 D HA -0.067 4.573 4.640 -0.000 0.000 0.221 293 D C 0.993 177.242 176.300 -0.084 0.000 0.986 293 D CA 0.526 54.475 54.000 -0.084 0.000 0.899 293 D CB -0.001 40.768 40.800 -0.052 0.000 0.902 293 D HN 0.259 nan 8.370 nan 0.000 0.530 294 N N -0.200 118.408 118.700 -0.153 0.000 2.690 294 N HA -0.057 4.683 4.740 -0.000 0.000 0.187 294 N C 0.770 176.230 175.510 -0.082 0.000 1.295 294 N CA 0.170 53.153 53.050 -0.111 0.000 1.100 294 N CB -0.179 38.234 38.487 -0.123 0.000 1.336 294 N HN 0.073 nan 8.380 nan 0.000 0.458 295 Y N -1.226 119.073 120.300 -0.001 0.000 2.467 295 Y HA 0.570 5.120 4.550 -0.000 0.000 0.250 295 Y C 1.391 177.290 175.900 -0.002 0.000 1.155 295 Y CA 0.394 58.496 58.100 0.003 0.000 1.249 295 Y CB -0.031 38.434 38.460 0.008 0.000 1.146 295 Y HN 0.247 nan 8.280 nan 0.000 0.524 296 S N 0.176 115.657 115.700 -0.365 0.000 1.539 296 S HA -0.266 4.203 4.470 -0.000 0.000 0.239 296 S C 0.390 174.912 174.600 -0.129 0.000 0.755 296 S CA 1.644 59.717 58.200 -0.212 0.000 1.322 296 S CB -1.779 61.364 63.200 -0.095 0.000 1.628 296 S HN 1.305 nan 8.310 nan 0.000 0.515 297 S N 1.236 117.003 115.700 0.113 0.000 2.552 297 S HA 0.722 5.192 4.470 -0.000 0.000 0.272 297 S C -3.480 171.330 174.600 0.350 0.000 1.150 297 S CA -0.624 57.700 58.200 0.206 0.000 0.849 297 S CB 2.420 65.689 63.200 0.116 0.000 1.113 297 S HN 0.410 nan 8.310 nan 0.000 0.458 298 P HA 0.548 nan 4.420 nan 0.000 0.285 298 P C -2.899 174.397 177.300 -0.007 0.000 1.269 298 P CA -1.911 61.234 63.100 0.074 0.000 0.844 298 P CB -0.079 31.637 31.700 0.026 0.000 1.094 299 P HA 0.128 nan 4.420 nan 0.000 0.276 299 P C 0.423 177.666 177.300 -0.095 0.000 1.243 299 P CA -0.058 63.004 63.100 -0.063 0.000 0.768 299 P CB 0.714 32.370 31.700 -0.073 0.000 0.856 300 A N 3.268 126.052 122.820 -0.059 0.000 1.898 300 A HA -0.223 4.097 4.320 -0.000 0.000 0.216 300 A C 2.156 179.683 177.584 -0.095 0.000 1.181 300 A CA 1.776 53.764 52.037 -0.082 0.000 0.620 300 A CB -1.606 17.369 19.000 -0.040 0.000 0.819 300 A HN 0.687 nan 8.150 nan 0.000 0.442 301 H N -0.311 118.688 119.070 -0.118 0.000 2.267 301 H HA -0.057 4.499 4.556 -0.000 0.000 0.297 301 H C 2.212 177.459 175.328 -0.136 0.000 1.080 301 H CA 2.369 58.354 56.048 -0.104 0.000 1.278 301 H CB -0.674 29.042 29.762 -0.077 0.000 1.365 301 H HN 0.317 nan 8.280 nan 0.000 0.489 302 G N -0.187 108.507 108.800 -0.177 0.000 2.446 302 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.217 302 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.217 302 G C 1.895 176.570 174.900 -0.375 0.000 1.168 302 G CA 1.168 46.115 45.100 -0.255 0.000 0.771 302 G HN 0.646 nan 8.290 nan 0.000 0.551 303 A N 0.477 123.044 122.820 -0.421 0.000 1.930 303 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 303 A C 2.688 180.045 177.584 -0.378 0.000 1.175 303 A CA 2.076 53.757 52.037 -0.594 0.000 0.627 303 A CB -0.536 17.846 19.000 -1.030 0.000 0.815 303 A HN 0.302 nan 8.150 nan 0.000 0.443 304 S N -0.340 115.173 115.700 -0.312 0.000 2.370 304 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 304 S C 1.909 176.354 174.600 -0.258 0.000 1.033 304 S CA 1.503 59.567 58.200 -0.226 0.000 1.011 304 S CB -0.500 62.589 63.200 -0.185 0.000 0.852 304 S HN 0.357 nan 8.310 nan 0.000 0.457 305 V N 1.313 121.012 119.914 -0.358 0.000 2.287 305 V HA -0.167 3.953 4.120 -0.000 0.000 0.248 305 V C 2.295 178.149 176.094 -0.401 0.000 1.053 305 V CA 1.629 63.722 62.300 -0.345 0.000 1.027 305 V CB -0.686 30.911 31.823 -0.377 0.000 0.646 305 V HN 0.343 nan 8.190 nan 0.000 0.447 306 V N -0.001 119.570 119.914 -0.573 0.000 2.307 306 V HA -0.216 3.904 4.120 -0.000 0.000 0.245 306 V C 2.672 178.434 176.094 -0.553 0.000 1.045 306 V CA 1.943 63.700 62.300 -0.906 0.000 1.024 306 V CB -1.070 30.009 31.823 -1.240 0.000 0.651 306 V HN 0.560 nan 8.190 nan 0.000 0.449 307 A N -0.313 122.327 122.820 -0.300 0.000 1.902 307 A HA -0.239 4.081 4.320 -0.000 0.000 0.217 307 A C 2.392 179.860 177.584 -0.194 0.000 1.181 307 A CA 2.534 54.459 52.037 -0.187 0.000 0.623 307 A CB -1.050 17.916 19.000 -0.056 0.000 0.818 307 A HN 0.497 nan 8.150 nan 0.000 0.443 308 T N 0.315 114.750 114.554 -0.198 0.000 2.720 308 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 308 T C 1.773 176.353 174.700 -0.201 0.000 1.037 308 T CA 1.722 63.702 62.100 -0.200 0.000 1.144 308 T CB -0.405 68.352 68.868 -0.186 0.000 0.864 308 T HN 0.447 nan 8.240 nan 0.000 0.444 309 I N 0.322 120.770 120.570 -0.202 0.000 2.286 309 I HA -0.040 4.130 4.170 -0.000 0.000 0.245 309 I C 2.123 178.167 176.117 -0.122 0.000 1.104 309 I CA 1.016 62.234 61.300 -0.136 0.000 1.397 309 I CB -0.250 37.700 38.000 -0.084 0.000 1.072 309 I HN 0.176 nan 8.210 nan 0.000 0.417 310 L N 0.229 121.338 121.223 -0.190 0.000 2.291 310 L HA -0.101 4.238 4.340 -0.000 0.000 0.214 310 L C 2.170 178.986 176.870 -0.089 0.000 1.120 310 L CA 1.140 55.897 54.840 -0.139 0.000 0.799 310 L CB -0.383 41.551 42.059 -0.208 0.000 0.925 310 L HN 0.345 nan 8.230 nan 0.000 0.446 311 S N -2.208 113.429 115.700 -0.106 0.000 2.554 311 S HA 0.072 4.542 4.470 -0.000 0.000 0.226 311 S C 0.504 175.057 174.600 -0.078 0.000 0.980 311 S CA -0.579 57.572 58.200 -0.082 0.000 0.939 311 S CB -0.146 63.004 63.200 -0.084 0.000 0.832 311 S HN 0.334 nan 8.310 nan 0.000 0.486 312 N N 1.257 119.906 118.700 -0.084 0.000 2.407 312 N HA 0.239 4.979 4.740 -0.000 0.000 0.277 312 N C -0.527 174.959 175.510 -0.039 0.000 0.995 312 N CA -0.224 52.779 53.050 -0.079 0.000 0.903 312 N CB 1.917 40.326 38.487 -0.130 0.000 1.218 312 N HN -0.157 nan 8.380 nan 0.000 0.487 313 D N 3.042 123.427 120.400 -0.026 0.000 2.092 313 D HA -0.131 4.509 4.640 -0.000 0.000 0.193 313 D C 1.574 177.875 176.300 0.002 0.000 0.994 313 D CA 1.824 55.820 54.000 -0.006 0.000 0.828 313 D CB -0.092 40.703 40.800 -0.009 0.000 0.963 313 D HN 0.728 nan 8.370 nan 0.000 0.450 314 A N 0.353 123.169 122.820 -0.007 0.000 1.898 314 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 314 A C 2.126 179.716 177.584 0.010 0.000 1.181 314 A CA 0.829 52.865 52.037 -0.002 0.000 0.620 314 A CB -0.674 18.322 19.000 -0.008 0.000 0.819 314 A HN 0.211 nan 8.150 nan 0.000 0.442 315 L N 0.595 121.819 121.223 0.002 0.000 2.046 315 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 315 L C 2.546 179.466 176.870 0.083 0.000 1.077 315 L CA 2.585 57.436 54.840 0.019 0.000 0.747 315 L CB -0.709 41.334 42.059 -0.027 0.000 0.896 315 L HN 0.608 nan 8.230 nan 0.000 0.432 316 R N -0.371 120.185 120.500 0.093 0.000 2.148 316 R HA 0.051 4.391 4.340 -0.000 0.000 0.223 316 R C 1.964 178.381 176.300 0.194 0.000 1.088 316 R CA 1.352 57.582 56.100 0.216 0.000 0.985 316 R CB -0.895 29.518 30.300 0.189 0.000 0.880 316 R HN 0.250 nan 8.270 nan 0.000 0.451 317 A N 1.296 124.162 122.820 0.077 0.000 1.930 317 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 317 A C 2.203 179.777 177.584 -0.017 0.000 1.175 317 A CA 1.358 53.401 52.037 0.010 0.000 0.627 317 A CB -0.493 18.505 19.000 -0.005 0.000 0.815 317 A HN 0.364 nan 8.150 nan 0.000 0.443 318 I N -2.166 118.417 120.570 0.021 0.000 2.179 318 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 318 I C 2.419 178.538 176.117 0.003 0.000 1.088 318 I CA 1.726 63.032 61.300 0.010 0.000 1.357 318 I CB -0.333 37.689 38.000 0.037 0.000 1.051 318 I HN 0.754 nan 8.210 nan 0.000 0.409 319 W N 2.209 123.438 121.300 -0.120 0.000 2.355 319 W HA -0.185 4.475 4.660 -0.000 0.000 0.309 319 W C 2.348 178.713 176.519 -0.256 0.000 1.206 319 W CA 1.463 58.688 57.345 -0.200 0.000 1.284 319 W CB -0.336 28.987 29.460 -0.229 0.000 1.145 319 W HN 0.041 nan 8.180 nan 0.000 0.502 320 E N -0.144 119.656 120.200 -0.668 0.000 2.118 320 E HA -0.330 4.020 4.350 -0.000 0.000 0.195 320 E C 2.015 178.264 176.600 -0.586 0.000 0.992 320 E CA 1.700 57.579 56.400 -0.868 0.000 0.804 320 E CB -0.323 29.090 29.700 -0.477 0.000 0.741 320 E HN 0.256 nan 8.360 nan 0.000 0.458 321 Q N 1.149 120.734 119.800 -0.358 0.000 2.124 321 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 321 Q C 1.590 177.419 176.000 -0.284 0.000 0.977 321 Q CA 1.556 57.202 55.803 -0.262 0.000 0.850 321 Q CB 0.035 28.679 28.738 -0.156 0.000 0.901 321 Q HN 0.281 nan 8.270 nan 0.000 0.429 322 E N -0.589 119.426 120.200 -0.308 0.000 2.106 322 E HA -0.173 4.177 4.350 -0.000 0.000 0.192 322 E C 1.822 178.185 176.600 -0.395 0.000 0.984 322 E CA 1.019 57.258 56.400 -0.270 0.000 0.806 322 E CB -0.156 29.435 29.700 -0.182 0.000 0.750 322 E HN 0.278 nan 8.360 nan 0.000 0.458 323 L N 0.918 121.769 121.223 -0.621 0.000 2.056 323 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 323 L C 2.212 178.735 176.870 -0.579 0.000 1.078 323 L CA 1.829 56.233 54.840 -0.726 0.000 0.749 323 L CB -0.660 40.765 42.059 -1.057 0.000 0.901 323 L HN -0.001 nan 8.230 nan 0.000 0.433 324 T N -0.244 114.024 114.554 -0.476 0.000 2.720 324 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 324 T C 1.442 176.000 174.700 -0.237 0.000 1.037 324 T CA 1.669 63.574 62.100 -0.325 0.000 1.144 324 T CB -0.373 68.336 68.868 -0.265 0.000 0.864 324 T HN 0.404 nan 8.240 nan 0.000 0.444 325 D N 0.775 121.045 120.400 -0.218 0.000 2.144 325 D HA -0.021 4.619 4.640 -0.000 0.000 0.199 325 D C 2.066 178.290 176.300 -0.127 0.000 0.984 325 D CA 0.921 54.841 54.000 -0.134 0.000 0.834 325 D CB -0.286 40.452 40.800 -0.104 0.000 0.955 325 D HN 0.400 nan 8.370 nan 0.000 0.465 326 M N -0.102 119.329 119.600 -0.282 0.000 2.077 326 M HA -0.116 4.364 4.480 -0.000 0.000 0.261 326 M C 2.373 178.615 176.300 -0.096 0.000 1.070 326 M CA 1.126 56.168 55.300 -0.429 0.000 1.125 326 M CB -0.168 31.982 32.600 -0.750 0.000 1.339 326 M HN -0.076 nan 8.290 nan 0.000 0.409 327 R N 0.636 121.056 120.500 -0.134 0.000 2.073 327 R HA -0.190 4.149 4.340 -0.000 0.000 0.234 327 R C 1.993 178.305 176.300 0.020 0.000 1.134 327 R CA 1.856 57.949 56.100 -0.012 0.000 0.952 327 R CB -0.263 29.959 30.300 -0.130 0.000 0.850 327 R HN 0.483 nan 8.270 nan 0.000 0.433 328 Q N -0.350 119.435 119.800 -0.024 0.000 2.170 328 Q HA -0.170 4.170 4.340 -0.000 0.000 0.203 328 Q C 2.254 178.278 176.000 0.041 0.000 0.976 328 Q CA 1.437 57.240 55.803 -0.000 0.000 0.858 328 Q CB -0.099 28.624 28.738 -0.025 0.000 0.907 328 Q HN 0.303 nan 8.270 nan 0.000 0.433 329 R N 0.477 121.025 120.500 0.081 0.000 2.090 329 R HA -0.065 4.274 4.340 -0.000 0.000 0.228 329 R C 2.094 178.467 176.300 0.121 0.000 1.110 329 R CA 0.781 56.954 56.100 0.121 0.000 0.973 329 R CB -0.055 30.373 30.300 0.213 0.000 0.869 329 R HN 0.244 nan 8.270 nan 0.000 0.440 330 I N 1.118 121.785 120.570 0.161 0.000 2.179 330 I HA -0.323 3.847 4.170 -0.000 0.000 0.242 330 I C 2.405 178.562 176.117 0.067 0.000 1.088 330 I CA 1.412 62.781 61.300 0.115 0.000 1.357 330 I CB -0.262 37.822 38.000 0.141 0.000 1.051 330 I HN 0.257 nan 8.210 nan 0.000 0.409 331 Q N 0.372 120.212 119.800 0.067 0.000 2.124 331 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 331 Q C 2.344 178.372 176.000 0.046 0.000 0.977 331 Q CA 1.270 57.105 55.803 0.053 0.000 0.850 331 Q CB -0.327 28.438 28.738 0.045 0.000 0.901 331 Q HN 0.529 nan 8.270 nan 0.000 0.429 332 R N -0.119 120.407 120.500 0.043 0.000 2.096 332 R HA -0.030 4.309 4.340 -0.000 0.000 0.235 332 R C 2.241 178.563 176.300 0.037 0.000 1.127 332 R CA 0.987 57.108 56.100 0.035 0.000 0.968 332 R CB -0.041 30.277 30.300 0.030 0.000 0.861 332 R HN 0.255 nan 8.270 nan 0.000 0.440 333 M N -0.025 119.596 119.600 0.034 0.000 2.175 333 M HA -0.091 4.389 4.480 -0.000 0.000 0.264 333 M C 1.998 178.341 176.300 0.070 0.000 1.063 333 M CA 1.462 56.777 55.300 0.024 0.000 1.119 333 M CB -0.677 31.907 32.600 -0.026 0.000 1.377 333 M HN 0.081 nan 8.290 nan 0.000 0.415 334 R N -0.194 120.352 120.500 0.076 0.000 2.080 334 R HA -0.210 4.130 4.340 -0.000 0.000 0.236 334 R C 2.286 178.657 176.300 0.118 0.000 1.137 334 R CA 1.637 57.815 56.100 0.129 0.000 0.943 334 R CB -0.425 29.930 30.300 0.091 0.000 0.846 334 R HN 0.280 nan 8.270 nan 0.000 0.431 335 Q N 0.853 120.693 119.800 0.067 0.000 2.061 335 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 335 Q C 1.924 177.948 176.000 0.040 0.000 0.984 335 Q CA 1.411 57.237 55.803 0.038 0.000 0.846 335 Q CB -0.316 28.438 28.738 0.028 0.000 0.902 335 Q HN 0.200 nan 8.270 nan 0.000 0.421 336 L N -0.308 120.951 121.223 0.059 0.000 2.046 336 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 336 L C 1.989 178.916 176.870 0.095 0.000 1.077 336 L CA 1.690 56.564 54.840 0.058 0.000 0.747 336 L CB -0.978 41.110 42.059 0.049 0.000 0.896 336 L HN 0.361 nan 8.230 nan 0.000 0.432 337 F N -0.260 119.651 119.950 -0.066 0.000 2.046 337 F HA -0.224 4.303 4.527 -0.000 0.000 0.297 337 F C 2.577 178.307 175.800 -0.117 0.000 1.123 337 F CA 2.154 60.094 58.000 -0.101 0.000 1.199 337 F CB -1.091 37.842 39.000 -0.111 0.000 0.972 337 F HN 0.042 nan 8.300 nan 0.000 0.474 338 V N 0.826 120.588 119.914 -0.253 0.000 2.407 338 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 338 V C 2.140 178.132 176.094 -0.170 0.000 1.055 338 V CA 2.520 64.629 62.300 -0.318 0.000 1.049 338 V CB -0.764 30.935 31.823 -0.206 0.000 0.662 338 V HN 0.398 nan 8.190 nan 0.000 0.455 339 N N 0.778 119.427 118.700 -0.085 0.000 2.120 339 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 339 N C 2.035 177.514 175.510 -0.051 0.000 1.024 339 N CA 2.278 55.299 53.050 -0.048 0.000 0.852 339 N CB -0.830 37.646 38.487 -0.019 0.000 1.003 339 N HN 0.727 nan 8.380 nan 0.000 0.424 340 T N -0.129 114.394 114.554 -0.053 0.000 3.043 340 T HA 0.055 4.404 4.350 -0.000 0.000 0.263 340 T C 1.806 176.462 174.700 -0.073 0.000 1.094 340 T CA 0.072 62.149 62.100 -0.039 0.000 1.127 340 T CB -0.089 68.778 68.868 -0.003 0.000 0.905 340 T HN -0.112 nan 8.240 nan 0.000 0.490 341 L N 1.714 122.841 121.223 -0.159 0.000 1.990 341 L HA -0.070 4.270 4.340 -0.000 0.000 0.213 341 L C 2.752 179.580 176.870 -0.070 0.000 1.072 341 L CA 1.859 56.585 54.840 -0.191 0.000 0.755 341 L CB -1.316 40.499 42.059 -0.407 0.000 0.889 341 L HN 0.450 nan 8.230 nan 0.000 0.432 342 Q N -0.748 119.021 119.800 -0.051 0.000 2.002 342 Q HA -0.256 4.084 4.340 -0.000 0.000 0.204 342 Q C 2.052 178.043 176.000 -0.015 0.000 0.988 342 Q CA 1.999 57.793 55.803 -0.015 0.000 0.843 342 Q CB -0.252 28.475 28.738 -0.018 0.000 0.908 342 Q HN 0.595 nan 8.270 nan 0.000 0.420 343 E N 0.585 120.772 120.200 -0.021 0.000 2.160 343 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 343 E C 1.554 178.147 176.600 -0.012 0.000 0.991 343 E CA 0.852 57.244 56.400 -0.013 0.000 0.810 343 E CB 0.030 29.723 29.700 -0.012 0.000 0.742 343 E HN 0.003 nan 8.360 nan 0.000 0.466 344 K N -0.561 119.827 120.400 -0.020 0.000 2.505 344 K HA 0.060 4.380 4.320 -0.000 0.000 0.192 344 K C 0.543 177.136 176.600 -0.011 0.000 1.025 344 K CA 0.592 56.868 56.287 -0.019 0.000 1.086 344 K CB 0.438 32.917 32.500 -0.034 0.000 0.840 344 K HN 0.238 nan 8.250 nan 0.000 0.514 345 G N -0.194 108.604 108.800 -0.003 0.000 2.149 345 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.235 345 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.235 345 G C 0.143 175.055 174.900 0.020 0.000 1.018 345 G CA -0.067 45.037 45.100 0.007 0.000 0.728 345 G HN 0.479 nan 8.290 nan 0.000 0.508 346 A N 0.114 122.954 122.820 0.033 0.000 2.567 346 A HA 0.424 4.743 4.320 -0.000 0.000 0.240 346 A C 1.125 178.754 177.584 0.076 0.000 1.053 346 A CA 0.982 53.072 52.037 0.089 0.000 0.755 346 A CB 0.073 19.182 19.000 0.182 0.000 0.978 346 A HN 1.521 nan 8.150 nan 0.000 0.507 347 N N 1.233 119.978 118.700 0.076 0.000 2.389 347 N HA 0.249 4.989 4.740 -0.000 0.000 0.237 347 N C -0.147 175.352 175.510 -0.018 0.000 1.148 347 N CA -0.167 52.900 53.050 0.029 0.000 0.854 347 N CB 0.139 38.643 38.487 0.028 0.000 1.115 347 N HN 0.684 nan 8.380 nan 0.000 0.492 348 R N -0.722 119.731 120.500 -0.078 0.000 2.663 348 R HA 0.228 4.567 4.340 -0.000 0.000 0.267 348 R C -2.006 174.074 176.300 -0.368 0.000 1.038 348 R CA -0.703 55.224 56.100 -0.288 0.000 0.886 348 R CB 1.056 31.047 30.300 -0.514 0.000 1.249 348 R HN 0.020 nan 8.270 nan 0.000 0.463 349 D N 2.972 123.203 120.400 -0.282 0.000 2.338 349 D HA 0.107 4.747 4.640 -0.000 0.000 0.255 349 D C -0.378 175.761 176.300 -0.267 0.000 1.237 349 D CA 0.114 54.007 54.000 -0.178 0.000 0.883 349 D CB 0.384 41.148 40.800 -0.059 0.000 1.087 349 D HN 0.443 nan 8.370 nan 0.000 0.485 350 F N 1.467 121.330 119.950 -0.146 0.000 2.639 350 F HA 0.041 4.568 4.527 -0.000 0.000 0.300 350 F C 2.360 177.814 175.800 -0.577 0.000 1.109 350 F CA -0.216 57.495 58.000 -0.482 0.000 1.335 350 F CB -0.009 38.665 39.000 -0.543 0.000 1.014 350 F HN 0.350 nan 8.300 nan 0.000 0.537 351 S N 0.332 115.944 115.700 -0.148 0.000 2.442 351 S HA -0.258 4.212 4.470 -0.000 0.000 0.236 351 S C 2.035 176.572 174.600 -0.104 0.000 1.007 351 S CA 1.039 59.177 58.200 -0.104 0.000 0.965 351 S CB -1.249 61.940 63.200 -0.018 0.000 0.773 351 S HN 0.521 nan 8.310 nan 0.000 0.504 352 F N 1.171 121.085 119.950 -0.060 0.000 2.307 352 F HA 0.157 4.684 4.527 -0.000 0.000 0.301 352 F C 1.697 177.512 175.800 0.026 0.000 1.076 352 F CA 0.320 58.277 58.000 -0.072 0.000 1.383 352 F CB -0.765 38.030 39.000 -0.341 0.000 1.055 352 F HN 0.166 nan 8.300 nan 0.000 0.526 353 I N 0.605 120.890 120.570 -0.475 0.000 2.361 353 I HA -0.249 3.921 4.170 -0.000 0.000 0.251 353 I C 2.254 178.377 176.117 0.010 0.000 1.133 353 I CA 0.594 61.775 61.300 -0.199 0.000 1.413 353 I CB -0.469 37.355 38.000 -0.293 0.000 1.073 353 I HN 0.152 nan 8.210 nan 0.000 0.424 354 I N 1.145 121.710 120.570 -0.009 0.000 2.335 354 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 354 I C 2.099 178.264 176.117 0.081 0.000 1.129 354 I CA 1.727 63.050 61.300 0.039 0.000 1.402 354 I CB -1.113 36.902 38.000 0.025 0.000 1.069 354 I HN 0.288 nan 8.210 nan 0.000 0.424 355 K N 0.136 120.604 120.400 0.114 0.000 2.459 355 K HA 0.026 4.346 4.320 -0.000 0.000 0.193 355 K C 0.653 177.356 176.600 0.170 0.000 1.030 355 K CA 0.004 56.376 56.287 0.141 0.000 1.026 355 K CB 0.023 32.620 32.500 0.162 0.000 0.809 355 K HN 0.401 nan 8.250 nan 0.000 0.504 356 Q N 1.219 121.130 119.800 0.185 0.000 2.288 356 Q HA 0.133 4.473 4.340 -0.000 0.000 0.254 356 Q C -0.844 175.250 176.000 0.156 0.000 0.932 356 Q CA -0.145 55.782 55.803 0.207 0.000 0.902 356 Q CB 0.962 29.851 28.738 0.251 0.000 1.203 356 Q HN 0.186 nan 8.270 nan 0.000 0.415 357 N N 0.842 119.636 118.700 0.158 0.000 2.479 357 N HA 0.566 5.306 4.740 -0.000 0.000 0.285 357 N C 0.014 175.557 175.510 0.055 0.000 1.075 357 N CA 0.218 53.343 53.050 0.125 0.000 0.967 357 N CB 1.322 39.907 38.487 0.163 0.000 1.137 357 N HN 0.771 nan 8.380 nan 0.000 0.472 358 G N 0.820 109.622 108.800 0.003 0.000 2.408 358 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.204 358 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.204 358 G C 0.214 174.954 174.900 -0.267 0.000 1.186 358 G CA -0.486 44.499 45.100 -0.190 0.000 1.139 358 G HN 0.453 nan 8.290 nan 0.000 0.563 359 M N -0.038 119.204 119.600 -0.596 0.000 2.461 359 M HA 0.380 4.860 4.480 -0.000 0.000 0.255 359 M C 0.031 175.964 176.300 -0.612 0.000 1.137 359 M CA 0.649 55.538 55.300 -0.685 0.000 1.086 359 M CB 0.279 32.254 32.600 -1.041 0.000 1.356 359 M HN 0.213 nan 8.290 nan 0.000 0.487 360 F N 0.159 120.063 119.950 -0.076 0.000 2.497 360 F HA 0.405 4.932 4.527 -0.000 0.000 0.331 360 F C 0.569 176.405 175.800 0.060 0.000 1.060 360 F CA -1.377 56.616 58.000 -0.011 0.000 0.989 360 F CB 1.147 40.154 39.000 0.010 0.000 1.245 360 F HN -0.172 nan 8.300 nan 0.000 0.486 361 S N 0.652 116.544 115.700 0.321 0.000 2.519 361 S HA 0.519 4.989 4.470 -0.000 0.000 0.309 361 S C -1.145 173.695 174.600 0.401 0.000 1.100 361 S CA -0.566 57.838 58.200 0.340 0.000 1.059 361 S CB 1.040 64.428 63.200 0.313 0.000 1.008 361 S HN 0.422 nan 8.310 nan 0.000 0.478 362 F N 4.196 124.298 119.950 0.254 0.000 2.423 362 F HA 0.354 4.881 4.527 -0.000 0.000 0.356 362 F C 1.351 177.388 175.800 0.394 0.000 1.170 362 F CA -1.122 57.006 58.000 0.213 0.000 1.163 362 F CB 0.482 39.521 39.000 0.065 0.000 1.318 362 F HN 0.781 nan 8.300 nan 0.000 0.569 363 S N 2.321 118.110 115.700 0.148 0.000 2.535 363 S HA 0.281 4.751 4.470 -0.000 0.000 0.214 363 S C 1.612 176.424 174.600 0.354 0.000 0.980 363 S CA 0.226 58.657 58.200 0.384 0.000 0.907 363 S CB -0.029 63.352 63.200 0.303 0.000 0.790 363 S HN 1.253 nan 8.310 nan 0.000 0.510 364 G N 0.729 109.528 108.800 -0.001 0.000 2.176 364 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.253 364 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.253 364 G C -0.143 174.766 174.900 0.015 0.000 0.979 364 G CA 0.070 45.167 45.100 -0.005 0.000 0.641 364 G HN 0.447 nan 8.290 nan 0.000 0.530 365 L N 2.517 123.756 121.223 0.027 0.000 2.499 365 L HA 0.434 4.774 4.340 -0.000 0.000 0.273 365 L C 1.775 178.645 176.870 -0.001 0.000 1.195 365 L CA 0.695 55.559 54.840 0.041 0.000 0.882 365 L CB 0.336 42.424 42.059 0.049 0.000 1.133 365 L HN 0.510 nan 8.230 nan 0.000 0.483 366 T N 0.485 115.050 114.554 0.018 0.000 2.726 366 T HA 0.173 4.523 4.350 -0.000 0.000 0.294 366 T C 1.299 176.009 174.700 0.016 0.000 1.013 366 T CA -0.433 61.676 62.100 0.014 0.000 0.996 366 T CB 0.713 69.594 68.868 0.021 0.000 1.016 366 T HN 0.562 nan 8.240 nan 0.000 0.529 367 K N 0.203 120.613 120.400 0.017 0.000 2.032 367 K HA -0.142 4.178 4.320 -0.000 0.000 0.209 367 K C 2.496 179.105 176.600 0.015 0.000 1.048 367 K CA 1.753 58.050 56.287 0.016 0.000 0.927 367 K CB -0.188 32.322 32.500 0.017 0.000 0.712 367 K HN 0.691 nan 8.250 nan 0.000 0.441 368 E N 0.698 120.909 120.200 0.017 0.000 2.086 368 E HA -0.278 4.072 4.350 -0.000 0.000 0.200 368 E C 2.155 178.770 176.600 0.025 0.000 1.012 368 E CA 1.624 58.035 56.400 0.018 0.000 0.812 368 E CB -0.006 29.707 29.700 0.020 0.000 0.743 368 E HN 0.369 nan 8.360 nan 0.000 0.453 369 Q N -0.112 119.707 119.800 0.032 0.000 2.119 369 Q HA -0.111 4.229 4.340 -0.000 0.000 0.201 369 Q C 2.315 178.337 176.000 0.038 0.000 0.972 369 Q CA 1.070 56.899 55.803 0.044 0.000 0.847 369 Q CB 0.095 28.863 28.738 0.050 0.000 0.903 369 Q HN 0.131 nan 8.270 nan 0.000 0.433 370 V N 0.894 120.822 119.914 0.023 0.000 2.407 370 V HA -0.237 3.882 4.120 -0.000 0.000 0.248 370 V C 2.065 178.151 176.094 -0.014 0.000 1.055 370 V CA 1.448 63.754 62.300 0.009 0.000 1.049 370 V CB -0.404 31.425 31.823 0.010 0.000 0.662 370 V HN 0.323 nan 8.190 nan 0.000 0.455 371 L N 0.252 121.470 121.223 -0.009 0.000 2.131 371 L HA -0.035 4.305 4.340 -0.000 0.000 0.206 371 L C 2.531 179.385 176.870 -0.027 0.000 1.087 371 L CA 1.890 56.713 54.840 -0.028 0.000 0.767 371 L CB -0.650 41.400 42.059 -0.014 0.000 0.917 371 L HN 0.187 nan 8.230 nan 0.000 0.441 372 R N -0.642 119.864 120.500 0.011 0.000 2.096 372 R HA -0.120 4.220 4.340 -0.000 0.000 0.235 372 R C 2.244 178.610 176.300 0.110 0.000 1.127 372 R CA 1.566 57.691 56.100 0.041 0.000 0.968 372 R CB -0.352 29.991 30.300 0.071 0.000 0.861 372 R HN 0.442 nan 8.270 nan 0.000 0.440 373 L N 0.349 121.644 121.223 0.119 0.000 2.042 373 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 373 L C 2.930 179.835 176.870 0.059 0.000 1.076 373 L CA 1.723 56.665 54.840 0.170 0.000 0.749 373 L CB -0.463 41.632 42.059 0.061 0.000 0.893 373 L HN 0.303 nan 8.230 nan 0.000 0.432 374 R N -0.123 120.305 120.500 -0.120 0.000 2.066 374 R HA -0.193 4.147 4.340 -0.000 0.000 0.232 374 R C 2.210 178.378 176.300 -0.220 0.000 1.131 374 R CA 1.576 57.454 56.100 -0.370 0.000 0.955 374 R CB 0.020 30.020 30.300 -0.500 0.000 0.851 374 R HN 0.150 nan 8.270 nan 0.000 0.432 375 E N 0.363 120.485 120.200 -0.130 0.000 2.076 375 E HA -0.136 4.214 4.350 -0.000 0.000 0.190 375 E C 1.571 178.085 176.600 -0.142 0.000 0.979 375 E CA 1.309 57.645 56.400 -0.106 0.000 0.807 375 E CB 0.143 29.796 29.700 -0.079 0.000 0.761 375 E HN 0.419 nan 8.360 nan 0.000 0.454 376 E N -1.909 118.169 120.200 -0.204 0.000 2.190 376 E HA -0.022 4.328 4.350 -0.000 0.000 0.191 376 E C 0.626 176.803 176.600 -0.705 0.000 0.978 376 E CA 0.466 56.562 56.400 -0.508 0.000 0.839 376 E CB 0.141 29.410 29.700 -0.719 0.000 0.787 376 E HN 0.237 nan 8.360 nan 0.000 0.473 377 F N -1.122 118.816 119.950 -0.021 0.000 2.767 377 F HA 0.364 4.891 4.527 -0.000 0.000 0.323 377 F C 1.237 177.052 175.800 0.024 0.000 1.091 377 F CA 0.250 58.251 58.000 0.002 0.000 1.192 377 F CB 1.257 40.260 39.000 0.004 0.000 1.056 377 F HN 0.069 nan 8.300 nan 0.000 0.571 378 G N 1.714 110.587 108.800 0.121 0.000 2.283 378 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.280 378 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.280 378 G C -0.145 174.923 174.900 0.280 0.000 1.029 378 G CA 0.328 45.533 45.100 0.175 0.000 0.840 378 G HN 0.186 nan 8.290 nan 0.000 0.505 379 V N 0.556 120.569 119.914 0.167 0.000 2.364 379 V HA 0.456 4.576 4.120 -0.000 0.000 0.272 379 V C -0.142 175.987 176.094 0.058 0.000 1.036 379 V CA -0.794 61.610 62.300 0.174 0.000 0.880 379 V CB 0.849 32.734 31.823 0.104 0.000 0.991 379 V HN 0.247 nan 8.190 nan 0.000 0.460 380 Y N 3.720 124.092 120.300 0.120 0.000 2.385 380 Y HA 0.683 5.233 4.550 -0.000 0.000 0.341 380 Y C 0.538 176.457 175.900 0.031 0.000 0.965 380 Y CA -0.203 57.955 58.100 0.097 0.000 1.180 380 Y CB 1.430 39.988 38.460 0.164 0.000 1.139 380 Y HN 0.725 nan 8.280 nan 0.000 0.502 381 A N 2.481 125.364 122.820 0.106 0.000 2.313 381 A HA 0.787 5.107 4.320 -0.000 0.000 0.323 381 A C -0.777 176.851 177.584 0.074 0.000 1.133 381 A CA -0.805 51.276 52.037 0.074 0.000 0.847 381 A CB 0.714 19.740 19.000 0.044 0.000 1.308 381 A HN 0.434 nan 8.150 nan 0.000 0.475 382 V N 1.117 121.063 119.914 0.052 0.000 2.740 382 V HA 0.242 4.362 4.120 -0.000 0.000 0.303 382 V C 1.791 177.908 176.094 0.038 0.000 1.054 382 V CA 0.781 63.103 62.300 0.036 0.000 1.106 382 V CB 0.929 32.751 31.823 -0.003 0.000 0.957 382 V HN 1.173 nan 8.190 nan 0.000 0.486 383 A N 3.555 126.395 122.820 0.033 0.000 2.024 383 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 383 A C 2.287 179.895 177.584 0.040 0.000 1.164 383 A CA 1.928 53.984 52.037 0.030 0.000 0.643 383 A CB -0.618 18.395 19.000 0.022 0.000 0.806 383 A HN 1.130 nan 8.150 nan 0.000 0.451 384 S N -1.767 113.973 115.700 0.068 0.000 2.507 384 S HA 0.272 4.742 4.470 -0.000 0.000 0.235 384 S C 1.520 176.150 174.600 0.050 0.000 0.988 384 S CA 1.268 59.543 58.200 0.126 0.000 0.944 384 S CB -0.525 62.831 63.200 0.262 0.000 0.762 384 S HN 1.970 nan 8.310 nan 0.000 0.526 385 G N 1.012 109.827 108.800 0.025 0.000 2.176 385 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.232 385 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.232 385 G C 0.083 174.995 174.900 0.021 0.000 0.986 385 G CA -0.008 45.077 45.100 -0.026 0.000 0.643 385 G HN 0.702 nan 8.290 nan 0.000 0.522 386 R N 0.628 121.196 120.500 0.113 0.000 2.401 386 R HA 0.470 4.810 4.340 -0.000 0.000 0.299 386 R C 0.527 176.886 176.300 0.099 0.000 1.064 386 R CA 0.441 56.635 56.100 0.158 0.000 1.000 386 R CB 0.674 31.000 30.300 0.045 0.000 0.973 386 R HN 0.737 nan 8.270 nan 0.000 0.438 387 V N 2.041 122.046 119.914 0.153 0.000 2.628 387 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 387 V C -0.329 175.896 176.094 0.218 0.000 1.045 387 V CA -0.989 61.377 62.300 0.111 0.000 0.905 387 V CB 1.790 33.610 31.823 -0.006 0.000 0.997 387 V HN 0.884 nan 8.190 nan 0.000 0.436 388 N N 3.112 121.907 118.700 0.159 0.000 2.439 388 N HA 0.204 4.944 4.740 -0.000 0.000 0.243 388 N C 0.770 176.209 175.510 -0.118 0.000 1.088 388 N CA -0.370 52.746 53.050 0.110 0.000 0.940 388 N CB 1.535 40.063 38.487 0.067 0.000 1.180 388 N HN 0.679 nan 8.380 nan 0.000 0.505 389 V N 3.640 123.459 119.914 -0.158 0.000 2.490 389 V HA -0.196 3.923 4.120 -0.000 0.000 0.250 389 V C 2.235 178.213 176.094 -0.193 0.000 1.061 389 V CA 2.004 64.166 62.300 -0.230 0.000 1.064 389 V CB -0.581 31.150 31.823 -0.154 0.000 0.670 389 V HN 0.805 nan 8.190 nan 0.000 0.461 390 A N 0.184 122.892 122.820 -0.188 0.000 2.209 390 A HA 0.100 4.420 4.320 -0.000 0.000 0.212 390 A C 2.095 179.531 177.584 -0.248 0.000 1.158 390 A CA 1.265 53.210 52.037 -0.154 0.000 0.742 390 A CB -0.517 18.443 19.000 -0.067 0.000 0.790 390 A HN 0.549 nan 8.150 nan 0.000 0.472 391 G N -1.249 107.419 108.800 -0.219 0.000 3.088 391 G HA2 0.367 4.327 3.960 -0.000 0.000 0.217 391 G HA3 0.367 4.327 3.960 -0.000 0.000 0.217 391 G C 0.469 175.248 174.900 -0.202 0.000 1.159 391 G CA -0.377 44.592 45.100 -0.219 0.000 0.760 391 G HN 0.426 nan 8.290 nan 0.000 0.550 392 M N 1.907 121.384 119.600 -0.205 0.000 2.249 392 M HA 0.399 4.879 4.480 -0.000 0.000 0.351 392 M C 0.363 176.582 176.300 -0.136 0.000 1.180 392 M CA -0.176 55.015 55.300 -0.181 0.000 1.127 392 M CB 1.631 34.091 32.600 -0.233 0.000 1.546 392 M HN 0.107 nan 8.290 nan 0.000 0.461 393 T N -1.098 113.397 114.554 -0.098 0.000 2.907 393 T HA 0.509 4.859 4.350 -0.000 0.000 0.290 393 T C -2.440 172.236 174.700 -0.039 0.000 1.066 393 T CA -1.888 60.172 62.100 -0.068 0.000 1.012 393 T CB 1.678 70.509 68.868 -0.062 0.000 1.184 393 T HN 0.284 nan 8.240 nan 0.000 0.522 394 P HA -0.054 nan 4.420 nan 0.000 0.217 394 P C 0.879 178.175 177.300 -0.006 0.000 1.148 394 P CA 1.005 64.100 63.100 -0.009 0.000 0.828 394 P CB 0.046 31.743 31.700 -0.004 0.000 0.783 395 D N -1.003 119.391 120.400 -0.010 0.000 2.123 395 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 395 D C 1.419 177.718 176.300 -0.002 0.000 0.976 395 D CA 1.137 55.135 54.000 -0.004 0.000 0.831 395 D CB -0.613 40.185 40.800 -0.004 0.000 0.974 395 D HN 0.300 nan 8.370 nan 0.000 0.469 396 N N -0.028 118.665 118.700 -0.011 0.000 2.336 396 N HA -0.042 4.698 4.740 -0.000 0.000 0.189 396 N C 1.458 176.961 175.510 -0.012 0.000 1.113 396 N CA 0.141 53.186 53.050 -0.008 0.000 0.858 396 N CB -0.211 38.268 38.487 -0.013 0.000 0.970 396 N HN -0.002 nan 8.380 nan 0.000 0.471 397 M N 1.005 120.599 119.600 -0.010 0.000 2.086 397 M HA 0.155 4.635 4.480 -0.000 0.000 0.261 397 M C 1.928 178.239 176.300 0.018 0.000 1.067 397 M CA 1.424 56.727 55.300 0.005 0.000 1.116 397 M CB -0.701 31.911 32.600 0.021 0.000 1.348 397 M HN 0.265 nan 8.290 nan 0.000 0.407 398 A N 0.739 123.565 122.820 0.010 0.000 1.877 398 A HA -0.057 4.263 4.320 -0.000 0.000 0.216 398 A C -0.279 177.302 177.584 -0.004 0.000 1.186 398 A CA 1.633 53.673 52.037 0.005 0.000 0.620 398 A CB -2.319 16.685 19.000 0.006 0.000 0.822 398 A HN 0.486 nan 8.150 nan 0.000 0.443 399 P HA -0.163 nan 4.420 nan 0.000 0.215 399 P C 1.692 178.976 177.300 -0.026 0.000 1.157 399 P CA 1.645 64.748 63.100 0.005 0.000 0.868 399 P CB -0.383 31.337 31.700 0.033 0.000 0.788 400 L N -1.669 119.544 121.223 -0.016 0.000 2.093 400 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 400 L C 2.354 179.195 176.870 -0.048 0.000 1.085 400 L CA 1.820 56.641 54.840 -0.032 0.000 0.755 400 L CB -2.087 39.953 42.059 -0.031 0.000 0.904 400 L HN -0.116 nan 8.230 nan 0.000 0.435 401 C N 0.392 119.682 119.300 -0.016 0.000 2.457 401 C HA -0.043 4.417 4.460 -0.000 0.000 0.278 401 C C 2.657 177.583 174.990 -0.106 0.000 1.309 401 C CA 0.897 59.896 59.018 -0.032 0.000 1.735 401 C CB -0.896 26.840 27.740 -0.007 0.000 1.992 401 C HN 0.646 nan 8.230 nan 0.000 0.493 402 E N 1.175 121.305 120.200 -0.117 0.000 2.150 402 E HA -0.131 4.218 4.350 -0.000 0.000 0.193 402 E C 2.321 178.704 176.600 -0.363 0.000 0.985 402 E CA 1.220 57.524 56.400 -0.160 0.000 0.814 402 E CB -0.207 29.436 29.700 -0.095 0.000 0.752 402 E HN 0.677 nan 8.360 nan 0.000 0.466 403 A N 1.296 123.816 122.820 -0.500 0.000 1.858 403 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 403 A C 2.193 179.422 177.584 -0.591 0.000 1.190 403 A CA 1.192 52.635 52.037 -0.991 0.000 0.617 403 A CB -0.595 18.040 19.000 -0.609 0.000 0.827 403 A HN 0.120 nan 8.150 nan 0.000 0.443 404 I N -0.363 120.039 120.570 -0.280 0.000 2.179 404 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 404 I C 1.305 177.356 176.117 -0.110 0.000 1.088 404 I CA 0.321 61.532 61.300 -0.148 0.000 1.357 404 I CB -0.481 37.451 38.000 -0.112 0.000 1.051 404 I HN 0.090 nan 8.210 nan 0.000 0.409 408 V N -0.218 119.714 119.914 0.030 0.000 3.541 408 V HA 0.407 4.527 4.120 -0.000 0.000 0.267 408 V C 0.975 177.108 176.094 0.066 0.000 1.213 408 V CA 0.356 62.704 62.300 0.080 0.000 1.149 408 V CB -0.817 31.059 31.823 0.088 0.000 0.822 408 V HN 0.367 nan 8.190 nan 0.000 0.462 409 L N 0.000 121.259 121.223 0.061 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.887 54.840 0.079 0.000 0.813 409 L CB 0.000 42.127 42.059 0.113 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502