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 1tok_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 GQMKAAIRAN 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 0.000 176.307 176.300 0.012 0.000 1.140 5 M CA 0.000 55.180 55.300 -0.200 0.000 0.988 5 M CB 0.000 32.404 32.600 -0.327 0.000 1.302 6 F N 1.190 121.139 119.950 -0.002 0.000 2.731 6 F HA 0.280 4.807 4.527 -0.000 0.000 0.298 6 F C 1.760 177.558 175.800 -0.002 0.000 1.106 6 F CA 0.281 58.280 58.000 -0.002 0.000 1.329 6 F CB -0.466 38.533 39.000 -0.002 0.000 1.100 6 F HN 0.112 nan 8.300 nan 0.000 0.592 7 E N 0.630 120.916 120.200 0.144 0.000 2.153 7 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 7 E C 0.732 177.372 176.600 0.067 0.000 0.988 7 E CA 1.498 57.949 56.400 0.084 0.000 0.811 7 E CB -0.645 29.079 29.700 0.039 0.000 0.746 7 E HN 0.462 nan 8.360 nan 0.000 0.466 8 N N -0.059 118.681 118.700 0.067 0.000 2.204 8 N HA 0.210 4.950 4.740 -0.000 0.000 0.219 8 N C -0.522 175.016 175.510 0.046 0.000 1.151 8 N CA -0.249 52.828 53.050 0.045 0.000 0.867 8 N CB 0.561 39.068 38.487 0.032 0.000 1.043 8 N HN 0.043 nan 8.380 nan 0.000 0.516 9 I N 2.167 122.775 120.570 0.062 0.000 2.752 9 I HA -0.079 4.091 4.170 -0.000 0.000 0.289 9 I C 0.960 177.088 176.117 0.017 0.000 1.197 9 I CA 0.192 61.515 61.300 0.040 0.000 1.432 9 I CB 0.289 38.308 38.000 0.031 0.000 1.359 9 I HN 0.204 nan 8.210 nan 0.000 0.571 10 T N 3.946 118.505 114.554 0.008 0.000 2.901 10 T HA 0.461 4.811 4.350 -0.000 0.000 0.301 10 T C 0.283 174.978 174.700 -0.008 0.000 1.012 10 T CA -1.057 61.043 62.100 0.000 0.000 1.135 10 T CB 1.165 70.031 68.868 -0.002 0.000 0.936 10 T HN 0.666 nan 8.240 nan 0.000 0.539 11 A N 3.401 126.216 122.820 -0.008 0.000 2.425 11 A HA 0.540 4.860 4.320 -0.000 0.000 0.242 11 A C 1.015 178.589 177.584 -0.018 0.000 1.077 11 A CA -0.238 51.791 52.037 -0.013 0.000 0.781 11 A CB -0.239 18.755 19.000 -0.009 0.000 1.020 11 A HN 1.291 nan 8.150 nan 0.000 0.494 12 T N -0.770 113.770 114.554 -0.023 0.000 2.888 12 T HA 0.655 5.004 4.350 -0.000 0.000 0.284 12 T C 0.060 174.746 174.700 -0.023 0.000 1.017 12 T CA 0.034 62.118 62.100 -0.027 0.000 1.022 12 T CB 1.141 69.988 68.868 -0.035 0.000 1.013 12 T HN 1.122 nan 8.240 nan 0.000 0.465 13 T N 0.560 115.100 114.554 -0.024 0.000 2.909 13 T HA 0.679 5.029 4.350 -0.000 0.000 0.289 13 T C 0.726 175.411 174.700 -0.026 0.000 1.005 13 T CA -0.650 61.439 62.100 -0.020 0.000 1.084 13 T CB 0.702 69.561 68.868 -0.016 0.000 0.975 13 T HN 1.111 nan 8.240 nan 0.000 0.509 14 A N 1.767 124.576 122.820 -0.019 0.000 2.429 14 A HA 0.287 4.607 4.320 -0.000 0.000 0.242 14 A C 0.384 177.948 177.584 -0.033 0.000 1.088 14 A CA -0.420 51.603 52.037 -0.022 0.000 0.784 14 A CB -0.540 18.456 19.000 -0.008 0.000 1.038 14 A HN 1.024 nan 8.150 nan 0.000 0.501 15 D N 0.579 120.951 120.400 -0.046 0.000 2.525 15 D HA 0.095 4.735 4.640 -0.000 0.000 0.235 15 D C -1.112 175.158 176.300 -0.049 0.000 1.137 15 D CA -0.449 53.510 54.000 -0.068 0.000 0.868 15 D CB 0.728 41.479 40.800 -0.081 0.000 1.180 15 D HN 0.231 nan 8.370 nan 0.000 0.465 16 P HA -0.131 nan 4.420 nan 0.000 0.219 16 P C 1.014 178.302 177.300 -0.021 0.000 1.146 16 P CA 1.240 64.316 63.100 -0.040 0.000 0.808 16 P CB 0.253 31.917 31.700 -0.060 0.000 0.779 17 I N -1.517 119.030 120.570 -0.037 0.000 2.900 17 I HA -0.023 4.147 4.170 -0.000 0.000 0.251 17 I C 2.493 178.619 176.117 0.015 0.000 1.102 17 I CA 0.390 61.690 61.300 0.000 0.000 1.457 17 I CB -0.428 37.581 38.000 0.013 0.000 1.285 17 I HN -0.251 nan 8.210 nan 0.000 0.459 18 L N 0.751 121.972 121.223 -0.002 0.000 2.217 18 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 18 L C 2.518 179.395 176.870 0.012 0.000 1.107 18 L CA 1.160 56.005 54.840 0.007 0.000 0.783 18 L CB -0.978 41.078 42.059 -0.004 0.000 0.919 18 L HN 0.343 nan 8.230 nan 0.000 0.442 19 G N 0.301 109.107 108.800 0.010 0.000 2.501 19 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 19 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 19 G C 1.606 176.543 174.900 0.062 0.000 1.114 19 G CA 0.362 45.477 45.100 0.026 0.000 0.757 19 G HN 0.271 nan 8.290 nan 0.000 0.559 20 L N 0.267 121.536 121.223 0.076 0.000 2.156 20 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 20 L C 3.338 180.264 176.870 0.094 0.000 1.095 20 L CA 0.672 55.591 54.840 0.132 0.000 0.770 20 L CB -0.370 41.774 42.059 0.142 0.000 0.914 20 L HN 0.288 nan 8.230 nan 0.000 0.439 21 A N 0.331 123.180 122.820 0.048 0.000 1.865 21 A HA -0.264 4.055 4.320 -0.000 0.000 0.217 21 A C 1.945 179.566 177.584 0.061 0.000 1.191 21 A CA 2.214 54.278 52.037 0.045 0.000 0.623 21 A CB -0.568 18.443 19.000 0.019 0.000 0.826 21 A HN 0.326 nan 8.150 nan 0.000 0.444 22 D N -0.076 120.349 120.400 0.043 0.000 2.097 22 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 22 D C 2.025 178.342 176.300 0.028 0.000 0.989 22 D CA 1.071 55.087 54.000 0.028 0.000 0.827 22 D CB -0.377 40.437 40.800 0.024 0.000 0.966 22 D HN 0.439 nan 8.370 nan 0.000 0.456 23 L N -0.274 120.993 121.223 0.074 0.000 1.989 23 L HA -0.181 4.159 4.340 -0.000 0.000 0.211 23 L C 2.412 179.281 176.870 -0.001 0.000 1.071 23 L CA 0.973 55.891 54.840 0.130 0.000 0.749 23 L CB -0.511 41.726 42.059 0.297 0.000 0.890 23 L HN 0.005 nan 8.230 nan 0.000 0.431 24 F N 0.792 120.521 119.950 -0.368 0.000 2.095 24 F HA -0.256 4.271 4.527 -0.000 0.000 0.298 24 F C 2.849 178.436 175.800 -0.355 0.000 1.104 24 F CA 1.689 59.227 58.000 -0.771 0.000 1.232 24 F CB -0.310 38.278 39.000 -0.686 0.000 0.987 24 F HN -0.124 nan 8.300 nan 0.000 0.475 25 R N 0.015 120.390 120.500 -0.209 0.000 2.096 25 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 25 R C 2.289 178.456 176.300 -0.222 0.000 1.127 25 R CA 1.198 57.172 56.100 -0.210 0.000 0.968 25 R CB -0.608 29.664 30.300 -0.046 0.000 0.861 25 R HN 0.398 nan 8.270 nan 0.000 0.440 26 A N 0.661 123.392 122.820 -0.149 0.000 2.014 26 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 26 A C 0.684 178.198 177.584 -0.117 0.000 1.163 26 A CA 0.461 52.439 52.037 -0.099 0.000 0.652 26 A CB -0.262 18.713 19.000 -0.041 0.000 0.808 26 A HN 0.298 nan 8.150 nan 0.000 0.449 27 D N 0.696 120.992 120.400 -0.173 0.000 2.458 27 D HA -0.019 4.621 4.640 -0.000 0.000 0.243 27 D C 0.957 177.159 176.300 -0.163 0.000 1.146 27 D CA 0.279 54.199 54.000 -0.132 0.000 0.877 27 D CB 0.637 41.354 40.800 -0.139 0.000 1.176 27 D HN 0.531 nan 8.370 nan 0.000 0.461 28 E N 4.165 124.311 120.200 -0.090 0.000 2.474 28 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 28 E C -0.137 176.423 176.600 -0.067 0.000 1.039 28 E CA -0.137 56.214 56.400 -0.081 0.000 0.881 28 E CB 0.190 29.858 29.700 -0.052 0.000 0.970 28 E HN 0.355 nan 8.360 nan 0.000 0.486 29 R N 1.884 122.350 120.500 -0.058 0.000 2.267 29 R HA 0.183 4.523 4.340 -0.000 0.000 0.319 29 R C -1.767 174.513 176.300 -0.035 0.000 1.067 29 R CA -1.476 54.607 56.100 -0.028 0.000 0.936 29 R CB 0.741 31.043 30.300 0.004 0.000 1.006 29 R HN -0.029 nan 8.270 nan 0.000 0.452 30 P HA -0.109 nan 4.420 nan 0.000 0.218 30 P C 0.990 178.297 177.300 0.011 0.000 1.149 30 P CA 0.946 64.037 63.100 -0.015 0.000 0.817 30 P CB 0.298 31.995 31.700 -0.005 0.000 0.785 31 G N 0.096 108.915 108.800 0.032 0.000 3.124 31 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.212 31 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.212 31 G C 0.257 175.221 174.900 0.107 0.000 1.181 31 G CA -0.316 44.823 45.100 0.065 0.000 0.803 31 G HN 0.348 nan 8.290 nan 0.000 0.529 32 K N 0.025 120.485 120.400 0.099 0.000 2.414 32 K HA 0.346 4.665 4.320 -0.000 0.000 0.272 32 K C -0.817 175.986 176.600 0.338 0.000 0.993 32 K CA 0.086 56.494 56.287 0.202 0.000 0.964 32 K CB 1.015 33.523 32.500 0.013 0.000 0.925 32 K HN 0.032 nan 8.250 nan 0.000 0.487 33 I N 1.594 122.434 120.570 0.449 0.000 2.478 33 I HA 0.068 4.238 4.170 -0.000 0.000 0.287 33 I C -1.129 175.104 176.117 0.193 0.000 1.042 33 I CA -0.911 60.558 61.300 0.281 0.000 1.067 33 I CB 2.000 40.087 38.000 0.146 0.000 1.233 33 I HN 0.696 nan 8.210 nan 0.000 0.431 34 D N 7.608 127.867 120.400 -0.234 0.000 2.428 34 D HA 0.330 4.969 4.640 -0.000 0.000 0.221 34 D C -0.118 176.015 176.300 -0.278 0.000 1.123 34 D CA -0.006 53.623 54.000 -0.619 0.000 0.869 34 D CB 0.913 40.840 40.800 -1.456 0.000 1.032 34 D HN 0.437 nan 8.370 nan 0.000 0.506 35 L N 3.258 124.418 121.223 -0.105 0.000 3.141 35 L HA 0.405 4.745 4.340 -0.000 0.000 0.267 35 L C 1.437 178.311 176.870 0.007 0.000 1.281 35 L CA -0.528 54.274 54.840 -0.064 0.000 1.037 35 L CB 0.946 42.977 42.059 -0.048 0.000 1.407 35 L HN 0.409 nan 8.230 nan 0.000 0.566 36 G N 0.437 109.226 108.800 -0.020 0.000 2.593 36 G HA2 0.272 4.232 3.960 -0.000 0.000 0.212 36 G HA3 0.272 4.232 3.960 -0.000 0.000 0.212 36 G C 0.529 175.481 174.900 0.088 0.000 1.934 36 G CA -0.446 44.680 45.100 0.044 0.000 0.861 36 G HN 0.066 nan 8.290 nan 0.000 0.629 37 I N 2.445 123.035 120.570 0.033 0.000 2.775 37 I HA 0.139 4.308 4.170 -0.000 0.000 0.290 37 I C 1.323 177.498 176.117 0.096 0.000 1.203 37 I CA 0.147 61.490 61.300 0.071 0.000 1.433 37 I CB 0.706 38.699 38.000 -0.012 0.000 1.354 37 I HN 0.245 nan 8.210 nan 0.000 0.579 38 G N 7.081 116.036 108.800 0.260 0.000 2.778 38 G HA2 0.391 4.350 3.960 -0.000 0.000 0.287 38 G HA3 0.391 4.350 3.960 -0.000 0.000 0.287 38 G C -0.119 174.753 174.900 -0.047 0.000 0.747 38 G CA -0.226 44.972 45.100 0.163 0.000 1.961 38 G HN 0.531 nan 8.290 nan 0.000 0.539 39 V N 0.503 120.306 119.914 -0.186 0.000 2.680 39 V HA 0.640 4.760 4.120 -0.000 0.000 0.309 39 V C -0.538 175.493 176.094 -0.104 0.000 1.052 39 V CA -2.009 60.095 62.300 -0.327 0.000 0.908 39 V CB 1.428 32.833 31.823 -0.697 0.000 1.001 39 V HN 0.397 nan 8.190 nan 0.000 0.431 40 Y N 3.765 124.070 120.300 0.008 0.000 2.442 40 Y HA 0.479 5.029 4.550 -0.001 0.000 0.330 40 Y C 0.368 176.278 175.900 0.016 0.000 1.129 40 Y CA 0.093 58.215 58.100 0.037 0.000 1.365 40 Y CB 0.697 39.261 38.460 0.173 0.000 1.233 40 Y HN 0.728 nan 8.280 nan 0.000 0.529 41 K N 5.301 125.263 120.400 -0.729 0.000 2.203 41 K HA 0.232 4.551 4.320 -0.000 0.000 0.251 41 K C -0.812 175.244 176.600 -0.907 0.000 0.944 41 K CA -0.951 54.989 56.287 -0.577 0.000 0.829 41 K CB 1.527 33.820 32.500 -0.344 0.000 1.125 41 K HN 0.764 nan 8.250 nan 0.000 0.430 42 D N 0.433 120.599 120.400 -0.391 0.000 2.478 42 D HA -0.057 4.583 4.640 -0.000 0.000 0.274 42 D C 1.015 177.234 176.300 -0.134 0.000 1.234 42 D CA -0.290 53.602 54.000 -0.180 0.000 1.069 42 D CB 0.379 41.216 40.800 0.061 0.000 1.113 42 D HN 0.513 nan 8.370 nan 0.000 0.571 43 E N -0.638 119.535 120.200 -0.045 0.000 2.265 43 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 43 E C 1.450 178.028 176.600 -0.037 0.000 0.996 43 E CA 1.759 58.136 56.400 -0.038 0.000 0.832 43 E CB -1.252 28.445 29.700 -0.005 0.000 0.756 43 E HN 0.626 nan 8.360 nan 0.000 0.491 44 T N -3.202 111.334 114.554 -0.029 0.000 3.100 44 T HA 0.328 4.678 4.350 -0.000 0.000 0.253 44 T C 1.474 176.155 174.700 -0.031 0.000 1.118 44 T CA 0.653 62.741 62.100 -0.020 0.000 1.058 44 T CB -0.133 68.733 68.868 -0.003 0.000 0.953 44 T HN 0.399 nan 8.240 nan 0.000 0.515 45 G N 1.157 109.920 108.800 -0.063 0.000 2.136 45 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.242 45 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.242 45 G C -0.072 174.790 174.900 -0.062 0.000 0.989 45 G CA 0.012 45.068 45.100 -0.073 0.000 0.682 45 G HN 0.595 nan 8.290 nan 0.000 0.522 46 K N -0.036 120.333 120.400 -0.052 0.000 2.185 46 K HA 0.718 5.038 4.320 -0.000 0.000 0.240 46 K C -0.115 176.469 176.600 -0.026 0.000 0.983 46 K CA -0.515 55.757 56.287 -0.024 0.000 0.873 46 K CB 1.306 33.810 32.500 0.007 0.000 1.118 46 K HN 0.017 nan 8.250 nan 0.000 0.441 47 T N 4.057 118.617 114.554 0.011 0.000 3.145 47 T HA 0.286 4.636 4.350 -0.000 0.000 0.362 47 T C -2.040 172.742 174.700 0.137 0.000 1.340 47 T CA -1.188 60.955 62.100 0.071 0.000 1.069 47 T CB 0.588 69.475 68.868 0.033 0.000 1.129 47 T HN 0.341 nan 8.240 nan 0.000 0.585 48 P HA 0.407 nan 4.420 nan 0.000 0.278 48 P C -0.450 176.951 177.300 0.169 0.000 1.258 48 P CA -0.525 62.660 63.100 0.143 0.000 0.811 48 P CB 0.886 32.664 31.700 0.131 0.000 1.063 49 V N 2.119 122.114 119.914 0.134 0.000 2.583 49 V HA 0.017 4.137 4.120 -0.000 0.000 0.287 49 V C 0.967 177.132 176.094 0.119 0.000 1.051 49 V CA -0.614 61.765 62.300 0.132 0.000 1.010 49 V CB 0.400 32.289 31.823 0.110 0.000 0.988 49 V HN 0.386 nan 8.190 nan 0.000 0.478 50 L N 4.492 125.788 121.223 0.122 0.000 2.506 50 L HA 0.079 4.419 4.340 -0.000 0.000 0.281 50 L C 1.778 178.701 176.870 0.089 0.000 1.228 50 L CA 0.899 55.800 54.840 0.103 0.000 0.850 50 L CB 0.293 42.424 42.059 0.120 0.000 1.110 50 L HN 0.834 nan 8.230 nan 0.000 0.496 51 T N 0.495 115.090 114.554 0.069 0.000 2.684 51 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 51 T C 1.866 176.605 174.700 0.065 0.000 1.036 51 T CA 1.817 63.952 62.100 0.058 0.000 1.148 51 T CB -0.078 68.814 68.868 0.040 0.000 0.863 51 T HN 0.851 nan 8.240 nan 0.000 0.436 52 S N 1.250 116.997 115.700 0.080 0.000 2.383 52 S HA -0.106 4.364 4.470 -0.000 0.000 0.229 52 S C 2.160 176.808 174.600 0.081 0.000 1.030 52 S CA 1.101 59.355 58.200 0.089 0.000 1.002 52 S CB -0.964 62.325 63.200 0.149 0.000 0.829 52 S HN 0.313 nan 8.310 nan 0.000 0.467 53 V N 2.286 122.261 119.914 0.102 0.000 2.307 53 V HA -0.110 4.009 4.120 -0.000 0.000 0.245 53 V C 2.830 178.963 176.094 0.065 0.000 1.045 53 V CA 1.716 64.067 62.300 0.085 0.000 1.024 53 V CB -0.595 31.298 31.823 0.117 0.000 0.651 53 V HN 0.388 nan 8.190 nan 0.000 0.449 54 K N 0.441 120.886 120.400 0.075 0.000 2.063 54 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 54 K C 2.134 178.774 176.600 0.066 0.000 1.048 54 K CA 1.495 57.825 56.287 0.072 0.000 0.928 54 K CB -0.360 32.180 32.500 0.067 0.000 0.713 54 K HN 0.462 nan 8.250 nan 0.000 0.442 55 K N 0.270 120.705 120.400 0.059 0.000 2.057 55 K HA -0.057 4.262 4.320 -0.000 0.000 0.206 55 K C 2.208 178.850 176.600 0.069 0.000 1.050 55 K CA 1.163 57.486 56.287 0.059 0.000 0.935 55 K CB -0.138 32.389 32.500 0.044 0.000 0.715 55 K HN 0.098 nan 8.250 nan 0.000 0.439 56 A N 1.743 124.586 122.820 0.038 0.000 1.902 56 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 56 A C 1.879 179.499 177.584 0.059 0.000 1.181 56 A CA 1.474 53.523 52.037 0.021 0.000 0.623 56 A CB -0.368 18.602 19.000 -0.050 0.000 0.818 56 A HN 0.288 nan 8.150 nan 0.000 0.443 57 E N -0.814 119.414 120.200 0.046 0.000 2.153 57 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 57 E C 2.209 178.873 176.600 0.106 0.000 0.988 57 E CA 1.272 57.723 56.400 0.085 0.000 0.811 57 E CB -0.140 29.645 29.700 0.141 0.000 0.746 57 E HN 0.801 nan 8.360 nan 0.000 0.466 58 Q N -0.072 119.786 119.800 0.097 0.000 2.079 58 Q HA -0.211 4.129 4.340 -0.000 0.000 0.200 58 Q C 1.926 177.976 176.000 0.083 0.000 0.974 58 Q CA 1.282 57.133 55.803 0.080 0.000 0.840 58 Q CB -0.134 28.649 28.738 0.075 0.000 0.898 58 Q HN 0.338 nan 8.270 nan 0.000 0.430 59 Y N 0.617 120.917 120.300 -0.001 0.000 2.128 59 Y HA -0.252 4.298 4.550 -0.000 0.000 0.284 59 Y C 1.742 177.635 175.900 -0.012 0.000 1.154 59 Y CA 1.738 59.832 58.100 -0.010 0.000 1.149 59 Y CB -0.065 38.382 38.460 -0.021 0.000 0.976 59 Y HN 0.104 nan 8.280 nan 0.000 0.505 60 L N -0.544 120.746 121.223 0.111 0.000 2.046 60 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 60 L C 2.551 179.407 176.870 -0.024 0.000 1.077 60 L CA 1.079 55.936 54.840 0.030 0.000 0.747 60 L CB -0.727 41.363 42.059 0.050 0.000 0.896 60 L HN 0.344 nan 8.230 nan 0.000 0.432 61 L N -0.039 121.187 121.223 0.004 0.000 2.013 61 L HA -0.270 4.069 4.340 -0.000 0.000 0.212 61 L C 2.344 179.178 176.870 -0.060 0.000 1.073 61 L CA 1.757 56.591 54.840 -0.010 0.000 0.753 61 L CB -0.077 41.986 42.059 0.007 0.000 0.890 61 L HN 0.309 nan 8.230 nan 0.000 0.432 62 E N -0.742 119.394 120.200 -0.107 0.000 2.442 62 E HA -0.083 4.267 4.350 -0.000 0.000 0.195 62 E C 1.282 177.770 176.600 -0.187 0.000 1.030 62 E CA 0.594 56.915 56.400 -0.132 0.000 0.869 62 E CB 0.294 29.913 29.700 -0.134 0.000 0.857 62 E HN 0.536 nan 8.360 nan 0.000 0.505 63 N N -0.949 117.596 118.700 -0.259 0.000 2.382 63 N HA 0.081 4.821 4.740 -0.000 0.000 0.200 63 N C -0.044 175.372 175.510 -0.157 0.000 1.122 63 N CA -0.188 52.691 53.050 -0.285 0.000 0.870 63 N CB 0.677 38.809 38.487 -0.592 0.000 1.176 63 N HN -0.031 nan 8.380 nan 0.000 0.474 67 T N 0.515 115.050 114.554 -0.031 0.000 2.885 67 T HA 0.542 4.892 4.350 -0.000 0.000 0.322 67 T C -1.290 173.384 174.700 -0.044 0.000 1.387 67 T CA -0.615 61.464 62.100 -0.036 0.000 1.041 67 T CB 1.658 70.509 68.868 -0.029 0.000 1.287 67 T HN -0.077 nan 8.240 nan 0.000 0.491 68 K N 2.224 122.584 120.400 -0.066 0.000 2.514 68 K HA 0.251 4.571 4.320 -0.000 0.000 0.207 68 K C 0.500 177.018 176.600 -0.135 0.000 1.035 68 K CA -0.490 55.743 56.287 -0.089 0.000 1.113 68 K CB -0.211 32.228 32.500 -0.103 0.000 0.846 68 K HN 0.438 nan 8.250 nan 0.000 0.491 69 N N 1.335 119.976 118.700 -0.097 0.000 2.353 69 N HA -0.138 4.602 4.740 -0.000 0.000 0.248 69 N C -0.468 175.005 175.510 -0.062 0.000 1.240 69 N CA 0.389 53.384 53.050 -0.092 0.000 0.862 69 N CB 0.199 38.679 38.487 -0.011 0.000 1.086 69 N HN -0.018 nan 8.380 nan 0.000 0.453 70 Y N 2.065 122.365 120.300 0.002 0.000 2.904 70 Y HA -0.094 4.455 4.550 -0.000 0.000 0.336 70 Y C 1.039 176.941 175.900 0.003 0.000 1.263 70 Y CA 0.348 58.450 58.100 0.004 0.000 1.547 70 Y CB 0.138 38.601 38.460 0.005 0.000 1.272 70 Y HN 0.268 nan 8.280 nan 0.000 0.596 71 L N 2.743 124.068 121.223 0.170 0.000 2.472 71 L HA 0.266 4.606 4.340 -0.000 0.000 0.260 71 L C 1.322 178.256 176.870 0.105 0.000 1.209 71 L CA -0.304 54.597 54.840 0.102 0.000 0.817 71 L CB 0.041 42.135 42.059 0.059 0.000 1.106 71 L HN 0.812 nan 8.230 nan 0.000 0.479 72 G N 0.210 109.053 108.800 0.072 0.000 2.664 72 G HA2 0.170 4.130 3.960 -0.000 0.000 0.242 72 G HA3 0.170 4.130 3.960 -0.000 0.000 0.242 72 G C 0.956 175.883 174.900 0.045 0.000 1.225 72 G CA -0.458 44.673 45.100 0.052 0.000 0.849 72 G HN 0.684 nan 8.290 nan 0.000 0.581 73 I N 0.332 120.905 120.570 0.005 0.000 2.315 73 I HA -0.183 3.987 4.170 -0.000 0.000 0.251 73 I C 1.993 178.123 176.117 0.021 0.000 1.125 73 I CA 1.686 62.969 61.300 -0.027 0.000 1.392 73 I CB -0.064 37.876 38.000 -0.100 0.000 1.065 73 I HN 0.594 nan 8.210 nan 0.000 0.424 74 D N 0.144 120.586 120.400 0.069 0.000 2.339 74 D HA 0.201 4.841 4.640 -0.000 0.000 0.217 74 D C 1.064 177.460 176.300 0.160 0.000 1.050 74 D CA 0.729 54.828 54.000 0.166 0.000 0.856 74 D CB -0.135 40.874 40.800 0.348 0.000 0.922 74 D HN 0.358 nan 8.370 nan 0.000 0.518 75 G N 0.772 109.630 108.800 0.098 0.000 2.568 75 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.222 75 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.222 75 G C -0.487 174.442 174.900 0.048 0.000 1.321 75 G CA -0.370 44.754 45.100 0.040 0.000 0.893 75 G HN 0.292 nan 8.290 nan 0.000 0.569 76 I N 2.633 123.204 120.570 0.003 0.000 2.452 76 I HA 0.170 4.340 4.170 -0.000 0.000 0.287 76 I C -0.942 175.241 176.117 0.110 0.000 1.079 76 I CA -1.450 59.872 61.300 0.037 0.000 1.387 76 I CB 1.499 39.494 38.000 -0.009 0.000 1.404 76 I HN 0.297 nan 8.210 nan 0.000 0.522 77 P HA -0.228 nan 4.420 nan 0.000 0.216 77 P C 1.418 178.760 177.300 0.070 0.000 1.153 77 P CA 1.203 64.349 63.100 0.078 0.000 0.858 77 P CB 0.215 31.946 31.700 0.052 0.000 0.789 78 E N -1.553 118.680 120.200 0.055 0.000 2.110 78 E HA -0.213 4.137 4.350 -0.000 0.000 0.193 78 E C 1.797 178.413 176.600 0.026 0.000 0.988 78 E CA 0.722 57.136 56.400 0.024 0.000 0.804 78 E CB -0.559 29.143 29.700 0.003 0.000 0.745 78 E HN 0.145 nan 8.360 nan 0.000 0.458 79 F N 0.590 120.484 119.950 -0.092 0.000 2.134 79 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 79 F C 1.984 177.744 175.800 -0.067 0.000 1.097 79 F CA 1.907 59.830 58.000 -0.128 0.000 1.264 79 F CB -0.648 38.270 39.000 -0.137 0.000 1.001 79 F HN 0.067 nan 8.300 nan 0.000 0.479 80 G N 0.461 109.343 108.800 0.136 0.000 2.446 80 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.217 80 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.217 80 G C 1.809 176.677 174.900 -0.055 0.000 1.168 80 G CA 0.895 46.019 45.100 0.040 0.000 0.771 80 G HN 0.326 nan 8.290 nan 0.000 0.551 81 R N -0.555 119.923 120.500 -0.037 0.000 2.073 81 R HA -0.079 4.261 4.340 -0.000 0.000 0.234 81 R C 2.729 178.982 176.300 -0.078 0.000 1.134 81 R CA 1.445 57.520 56.100 -0.041 0.000 0.952 81 R CB -0.844 29.441 30.300 -0.025 0.000 0.850 81 R HN 0.393 nan 8.270 nan 0.000 0.433 82 C N -0.006 119.215 119.300 -0.131 0.000 2.425 82 C HA -0.118 4.342 4.460 -0.000 0.000 0.277 82 C C 3.146 178.023 174.990 -0.187 0.000 1.280 82 C CA 1.520 60.438 59.018 -0.167 0.000 1.744 82 C CB -0.999 26.597 27.740 -0.240 0.000 1.989 82 C HN 0.676 nan 8.230 nan 0.000 0.491 83 T N -0.786 113.607 114.554 -0.269 0.000 2.857 83 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 83 T C 1.686 176.270 174.700 -0.193 0.000 1.048 83 T CA 1.391 63.361 62.100 -0.217 0.000 1.139 83 T CB -0.411 68.293 68.868 -0.273 0.000 0.874 83 T HN 0.667 nan 8.240 nan 0.000 0.455 84 Q N 0.662 120.381 119.800 -0.136 0.000 2.135 84 Q HA -0.126 4.214 4.340 -0.000 0.000 0.204 84 Q C 2.442 178.411 176.000 -0.051 0.000 0.981 84 Q CA 1.795 57.550 55.803 -0.079 0.000 0.856 84 Q CB -0.176 28.629 28.738 0.111 0.000 0.902 84 Q HN 0.738 nan 8.270 nan 0.000 0.425 85 E N 0.340 120.522 120.200 -0.030 0.000 2.106 85 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 85 E C 1.938 178.521 176.600 -0.028 0.000 0.984 85 E CA 0.600 56.999 56.400 -0.001 0.000 0.806 85 E CB -0.017 29.680 29.700 -0.005 0.000 0.750 85 E HN 0.149 nan 8.360 nan 0.000 0.458 86 L N 0.767 121.951 121.223 -0.064 0.000 2.056 86 L HA -0.148 4.192 4.340 -0.000 0.000 0.207 86 L C 2.082 178.901 176.870 -0.086 0.000 1.078 86 L CA 1.321 56.137 54.840 -0.040 0.000 0.749 86 L CB -0.478 41.573 42.059 -0.013 0.000 0.901 86 L HN 0.114 nan 8.230 nan 0.000 0.433 87 L N -1.730 119.335 121.223 -0.262 0.000 2.027 87 L HA -0.152 4.188 4.340 -0.000 0.000 0.206 87 L C 2.081 178.694 176.870 -0.429 0.000 1.074 87 L CA 1.897 56.446 54.840 -0.485 0.000 0.745 87 L CB -0.992 40.386 42.059 -1.135 0.000 0.898 87 L HN 0.186 nan 8.230 nan 0.000 0.433 88 F N -1.211 118.732 119.950 -0.013 0.000 2.727 88 F HA 0.546 5.072 4.527 -0.001 0.000 0.302 88 F C 1.192 176.976 175.800 -0.026 0.000 1.107 88 F CA -0.056 57.920 58.000 -0.039 0.000 1.277 88 F CB -0.419 38.554 39.000 -0.044 0.000 1.079 88 F HN 0.059 nan 8.300 nan 0.000 0.594 89 G N 1.505 110.378 108.800 0.122 0.000 3.055 89 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.686 89 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.686 89 G C -0.684 174.259 174.900 0.073 0.000 1.087 89 G CA -1.222 43.924 45.100 0.077 0.000 0.779 89 G HN 0.228 nan 8.290 nan 0.000 0.599 90 K N 1.013 121.439 120.400 0.045 0.000 2.491 90 K HA 0.464 4.784 4.320 -0.000 0.000 0.279 90 K C 1.590 178.209 176.600 0.031 0.000 1.026 90 K CA 2.008 58.315 56.287 0.033 0.000 1.070 90 K CB 0.053 32.566 32.500 0.021 0.000 0.887 90 K HN 2.398 nan 8.250 nan 0.000 0.481 91 G N 2.329 111.146 108.800 0.027 0.000 2.136 91 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.242 91 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.242 91 G C 0.073 174.982 174.900 0.015 0.000 0.989 91 G CA 0.373 45.482 45.100 0.016 0.000 0.682 91 G HN 0.853 nan 8.290 nan 0.000 0.522 92 S N 0.015 115.733 115.700 0.030 0.000 2.549 92 S HA 0.558 5.027 4.470 -0.000 0.000 0.286 92 S C 2.024 176.610 174.600 -0.023 0.000 1.314 92 S CA 0.651 58.861 58.200 0.016 0.000 1.062 92 S CB 0.956 64.193 63.200 0.061 0.000 0.865 92 S HN 1.745 nan 8.310 nan 0.000 0.498 93 A N 4.967 127.761 122.820 -0.043 0.000 1.927 93 A HA -0.117 4.203 4.320 -0.000 0.000 0.220 93 A C 2.000 179.527 177.584 -0.095 0.000 1.185 93 A CA 1.826 53.827 52.037 -0.060 0.000 0.639 93 A CB -0.860 18.104 19.000 -0.060 0.000 0.820 93 A HN 0.821 nan 8.150 nan 0.000 0.451 94 L N -0.634 120.491 121.223 -0.163 0.000 2.131 94 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 94 L C 2.315 179.086 176.870 -0.166 0.000 1.092 94 L CA 1.471 56.158 54.840 -0.254 0.000 0.759 94 L CB -0.396 41.309 42.059 -0.589 0.000 0.903 94 L HN 0.431 nan 8.230 nan 0.000 0.435 95 I N -1.255 119.264 120.570 -0.085 0.000 2.400 95 I HA -0.156 4.014 4.170 -0.000 0.000 0.248 95 I C 1.939 178.040 176.117 -0.027 0.000 1.109 95 I CA 0.476 61.764 61.300 -0.021 0.000 1.425 95 I CB -0.313 37.710 38.000 0.038 0.000 1.094 95 I HN 0.254 nan 8.210 nan 0.000 0.425 96 N N 0.966 119.649 118.700 -0.028 0.000 2.166 96 N HA -0.162 4.577 4.740 -0.000 0.000 0.186 96 N C 1.034 176.526 175.510 -0.030 0.000 1.019 96 N CA 1.320 54.356 53.050 -0.024 0.000 0.856 96 N CB -0.303 38.171 38.487 -0.021 0.000 0.993 96 N HN 0.307 nan 8.380 nan 0.000 0.426 97 D N 0.486 120.860 120.400 -0.043 0.000 2.339 97 D HA 0.064 4.704 4.640 -0.000 0.000 0.217 97 D C -0.027 176.247 176.300 -0.043 0.000 1.050 97 D CA 0.075 54.050 54.000 -0.042 0.000 0.856 97 D CB 0.108 40.879 40.800 -0.049 0.000 0.922 97 D HN 0.173 nan 8.370 nan 0.000 0.518 98 K N 0.161 120.533 120.400 -0.047 0.000 3.077 98 K HA -0.233 4.087 4.320 -0.000 0.000 0.264 98 K C 0.857 177.422 176.600 -0.059 0.000 1.008 98 K CA 0.189 56.447 56.287 -0.048 0.000 0.740 98 K CB -0.857 31.623 32.500 -0.033 0.000 1.273 98 K HN 0.159 nan 8.250 nan 0.000 0.477 99 R N -0.462 119.989 120.500 -0.081 0.000 2.300 99 R HA 0.159 4.499 4.340 -0.000 0.000 0.199 99 R C 0.482 176.725 176.300 -0.095 0.000 0.920 99 R CA 0.712 56.763 56.100 -0.083 0.000 1.046 99 R CB 0.664 30.899 30.300 -0.108 0.000 0.984 99 R HN 0.298 nan 8.270 nan 0.000 0.493 100 A N 1.208 123.965 122.820 -0.105 0.000 2.365 100 A HA 0.666 4.985 4.320 -0.000 0.000 0.318 100 A C -0.666 176.830 177.584 -0.147 0.000 1.091 100 A CA -0.728 51.258 52.037 -0.084 0.000 0.763 100 A CB 1.395 20.390 19.000 -0.008 0.000 1.248 100 A HN -0.024 nan 8.150 nan 0.000 0.442 101 R N 0.952 121.297 120.500 -0.260 0.000 2.628 101 R HA 0.647 4.986 4.340 -0.000 0.000 0.288 101 R C -1.307 174.672 176.300 -0.536 0.000 0.980 101 R CA -0.374 55.352 56.100 -0.623 0.000 0.891 101 R CB 1.950 31.481 30.300 -1.282 0.000 1.188 101 R HN 0.713 nan 8.270 nan 0.000 0.450 102 T N 1.291 115.622 114.554 -0.372 0.000 2.792 102 T HA 0.573 4.923 4.350 -0.000 0.000 0.280 102 T C -0.501 174.345 174.700 0.243 0.000 0.990 102 T CA -0.547 61.549 62.100 -0.008 0.000 0.960 102 T CB 1.724 70.617 68.868 0.042 0.000 0.939 102 T HN 0.590 nan 8.240 nan 0.000 0.439 103 A N 3.358 126.434 122.820 0.426 0.000 2.276 103 A HA 0.516 4.836 4.320 -0.000 0.000 0.316 103 A C 0.262 178.036 177.584 0.316 0.000 1.229 103 A CA -0.677 51.602 52.037 0.403 0.000 0.851 103 A CB 0.529 19.716 19.000 0.313 0.000 1.165 103 A HN 0.804 nan 8.150 nan 0.000 0.513 104 Q N 1.822 121.796 119.800 0.289 0.000 2.300 104 Q HA 0.338 4.678 4.340 -0.000 0.000 0.280 104 Q C -0.065 176.007 176.000 0.119 0.000 1.033 104 Q CA 0.669 56.583 55.803 0.185 0.000 0.903 104 Q CB 0.419 29.057 28.738 -0.166 0.000 1.195 104 Q HN 0.826 nan 8.270 nan 0.000 0.386 105 T N 0.815 115.422 114.554 0.089 0.000 2.901 105 T HA 0.559 4.909 4.350 -0.000 0.000 0.293 105 T C -2.733 171.902 174.700 -0.109 0.000 1.084 105 T CA -2.102 60.023 62.100 0.041 0.000 1.008 105 T CB 1.737 70.676 68.868 0.118 0.000 1.170 105 T HN 0.463 nan 8.240 nan 0.000 0.509 106 P HA 0.390 nan 4.420 nan 0.000 0.256 106 P C 0.766 177.997 177.300 -0.114 0.000 1.688 106 P CA 0.822 63.772 63.100 -0.251 0.000 1.162 106 P CB -0.532 30.911 31.700 -0.430 0.000 1.870 107 G N 2.760 111.530 108.800 -0.050 0.000 2.795 107 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.664 107 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.664 107 G C 0.948 175.846 174.900 -0.004 0.000 1.381 107 G CA -0.502 44.590 45.100 -0.014 0.000 0.853 107 G HN 0.449 nan 8.290 nan 0.000 0.545 108 G N -0.460 108.316 108.800 -0.039 0.000 2.422 108 G HA2 0.025 3.985 3.960 -0.000 0.000 0.218 108 G HA3 0.025 3.985 3.960 -0.000 0.000 0.218 108 G C 2.151 177.058 174.900 0.012 0.000 1.146 108 G CA 2.187 47.257 45.100 -0.050 0.000 0.769 108 G HN 1.364 nan 8.290 nan 0.000 0.547 109 S N 0.787 116.509 115.700 0.037 0.000 2.353 109 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 109 S C 2.547 177.204 174.600 0.094 0.000 1.035 109 S CA 1.384 59.662 58.200 0.129 0.000 1.025 109 S CB -0.829 62.465 63.200 0.156 0.000 0.902 109 S HN 0.539 nan 8.310 nan 0.000 0.440 110 G N 1.207 110.038 108.800 0.051 0.000 2.442 110 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.219 110 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.219 110 G C 1.537 176.512 174.900 0.124 0.000 1.141 110 G CA 0.983 46.117 45.100 0.057 0.000 0.763 110 G HN 0.592 nan 8.290 nan 0.000 0.554 111 A N 0.365 123.251 122.820 0.110 0.000 1.933 111 A HA 0.103 4.423 4.320 -0.000 0.000 0.218 111 A C 2.331 180.018 177.584 0.172 0.000 1.175 111 A CA 1.212 53.335 52.037 0.144 0.000 0.628 111 A CB -0.318 18.755 19.000 0.122 0.000 0.814 111 A HN 0.289 nan 8.150 nan 0.000 0.444 112 L N -0.480 120.844 121.223 0.168 0.000 2.046 112 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 112 L C 2.520 179.519 176.870 0.215 0.000 1.077 112 L CA 2.060 57.029 54.840 0.215 0.000 0.747 112 L CB -1.242 40.921 42.059 0.173 0.000 0.896 112 L HN 0.449 nan 8.230 nan 0.000 0.432 113 R N -0.410 120.182 120.500 0.154 0.000 2.075 113 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 113 R C 2.178 178.592 176.300 0.191 0.000 1.126 113 R CA 1.394 57.584 56.100 0.150 0.000 0.963 113 R CB -0.835 29.533 30.300 0.113 0.000 0.858 113 R HN 0.161 nan 8.270 nan 0.000 0.435 114 V N 0.832 120.866 119.914 0.200 0.000 2.343 114 V HA -0.225 3.894 4.120 -0.000 0.000 0.247 114 V C 2.341 178.576 176.094 0.234 0.000 1.051 114 V CA 1.988 64.405 62.300 0.195 0.000 1.036 114 V CB -0.955 30.978 31.823 0.183 0.000 0.654 114 V HN 0.531 nan 8.190 nan 0.000 0.451 115 A N -0.187 122.784 122.820 0.252 0.000 1.902 115 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 115 A C 2.414 180.217 177.584 0.366 0.000 1.181 115 A CA 2.052 54.278 52.037 0.316 0.000 0.623 115 A CB -0.731 18.443 19.000 0.291 0.000 0.818 115 A HN 0.564 nan 8.150 nan 0.000 0.443 116 A N 0.026 123.049 122.820 0.338 0.000 1.873 116 A HA -0.159 4.161 4.320 -0.000 0.000 0.215 116 A C 1.805 179.520 177.584 0.219 0.000 1.186 116 A CA 1.862 54.087 52.037 0.314 0.000 0.616 116 A CB -0.609 18.648 19.000 0.427 0.000 0.823 116 A HN 0.438 nan 8.150 nan 0.000 0.442 117 D N -0.895 119.627 120.400 0.204 0.000 2.104 117 D HA -0.155 4.484 4.640 -0.000 0.000 0.194 117 D C 1.626 178.019 176.300 0.154 0.000 0.994 117 D CA 1.454 55.543 54.000 0.149 0.000 0.830 117 D CB -0.562 40.318 40.800 0.132 0.000 0.959 117 D HN 0.441 nan 8.370 nan 0.000 0.452 118 F N 1.403 121.395 119.950 0.069 0.000 2.091 118 F HA -0.215 4.311 4.527 -0.001 0.000 0.299 118 F C 2.085 177.923 175.800 0.064 0.000 1.103 118 F CA 1.428 59.464 58.000 0.060 0.000 1.228 118 F CB -0.457 38.589 39.000 0.078 0.000 0.984 118 F HN -0.081 nan 8.300 nan 0.000 0.477 119 L N -0.205 120.966 121.223 -0.087 0.000 2.072 119 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 119 L C 2.840 179.626 176.870 -0.140 0.000 1.079 119 L CA 1.071 55.789 54.840 -0.203 0.000 0.752 119 L CB -1.211 40.861 42.059 0.020 0.000 0.906 119 L HN 0.263 nan 8.230 nan 0.000 0.436 120 A N 0.187 122.982 122.820 -0.041 0.000 1.933 120 A HA -0.208 4.111 4.320 -0.000 0.000 0.218 120 A C 2.243 179.798 177.584 -0.048 0.000 1.175 120 A CA 1.712 53.734 52.037 -0.024 0.000 0.628 120 A CB -0.268 18.744 19.000 0.021 0.000 0.814 120 A HN 0.331 nan 8.150 nan 0.000 0.444 121 K N -0.954 119.407 120.400 -0.064 0.000 2.356 121 K HA 0.118 4.437 4.320 -0.000 0.000 0.195 121 K C 0.630 177.172 176.600 -0.096 0.000 1.037 121 K CA 0.606 56.859 56.287 -0.056 0.000 1.014 121 K CB 0.220 32.706 32.500 -0.023 0.000 0.815 121 K HN 0.393 nan 8.250 nan 0.000 0.507 122 N N 0.116 118.703 118.700 -0.188 0.000 2.145 122 N HA 0.006 4.746 4.740 -0.000 0.000 0.219 122 N C 0.071 175.461 175.510 -0.200 0.000 1.266 122 N CA 0.408 53.327 53.050 -0.218 0.000 0.902 122 N CB 1.445 39.717 38.487 -0.358 0.000 1.078 122 N HN 0.171 nan 8.380 nan 0.000 0.513 123 T N -2.268 112.178 114.554 -0.181 0.000 2.742 123 T HA 0.280 4.629 4.350 -0.000 0.000 0.282 123 T C 0.907 175.572 174.700 -0.059 0.000 1.025 123 T CA -0.473 61.560 62.100 -0.112 0.000 1.020 123 T CB 1.374 70.169 68.868 -0.121 0.000 1.317 123 T HN -0.079 nan 8.240 nan 0.000 0.538 124 S N -0.615 115.069 115.700 -0.026 0.000 2.631 124 S HA 0.219 4.689 4.470 -0.000 0.000 0.217 124 S C 0.616 175.217 174.600 0.002 0.000 0.958 124 S CA -0.511 57.685 58.200 -0.006 0.000 0.920 124 S CB -0.669 62.538 63.200 0.011 0.000 0.776 124 S HN 0.626 nan 8.310 nan 0.000 0.517 125 V N 3.298 123.208 119.914 -0.006 0.000 2.540 125 V HA 0.169 4.289 4.120 -0.000 0.000 0.297 125 V C 0.474 176.564 176.094 -0.007 0.000 1.024 125 V CA 0.261 62.563 62.300 0.004 0.000 1.105 125 V CB 0.354 32.175 31.823 -0.002 0.000 0.938 125 V HN 0.579 nan 8.190 nan 0.000 0.482 134 W N 4.416 125.577 121.300 -0.230 0.000 2.331 134 W HA 0.695 5.359 4.660 0.007 0.000 0.306 134 W C 0.080 176.586 176.519 -0.022 0.000 1.162 134 W CA -0.531 56.747 57.345 -0.111 0.000 1.232 134 W CB 1.772 31.113 29.460 -0.198 0.000 1.235 134 W HN 0.573 nan 8.180 nan 0.000 0.479 135 V N 1.222 121.210 119.914 0.124 0.000 2.769 135 V HA 0.696 4.816 4.120 -0.000 0.000 0.312 135 V C 0.220 176.033 176.094 -0.469 0.000 1.061 135 V CA -1.327 60.939 62.300 -0.058 0.000 0.931 135 V CB 1.119 32.949 31.823 0.011 0.000 1.010 135 V HN 0.522 nan 8.190 nan 0.000 0.433 136 S N 2.122 117.367 115.700 -0.758 0.000 2.568 136 S HA 0.075 4.545 4.470 -0.000 0.000 0.282 136 S C 0.979 175.340 174.600 -0.399 0.000 1.338 136 S CA 0.673 58.265 58.200 -1.013 0.000 1.045 136 S CB 0.065 62.754 63.200 -0.851 0.000 0.873 136 S HN 1.089 nan 8.310 nan 0.000 0.516 137 N N 2.373 120.924 118.700 -0.249 0.000 2.018 137 N HA -0.052 4.688 4.740 -0.000 0.000 0.196 137 N C -1.723 173.778 175.510 -0.015 0.000 1.043 137 N CA 0.590 53.604 53.050 -0.060 0.000 0.856 137 N CB -0.802 37.708 38.487 0.038 0.000 1.042 137 N HN 0.537 nan 8.380 nan 0.000 0.423 138 P HA 0.186 nan 4.420 nan 0.000 0.287 138 P C -1.246 176.008 177.300 -0.076 0.000 1.281 138 P CA 0.121 63.198 63.100 -0.038 0.000 0.781 138 P CB 1.936 33.563 31.700 -0.122 0.000 0.903 139 S N 2.320 117.995 115.700 -0.041 0.000 2.720 139 S HA 0.494 4.964 4.470 -0.000 0.000 0.287 139 S C -1.561 173.100 174.600 0.100 0.000 1.168 139 S CA -0.754 57.476 58.200 0.050 0.000 0.832 139 S CB 0.369 63.725 63.200 0.261 0.000 1.166 139 S HN 0.375 nan 8.310 nan 0.000 0.493 140 W N 4.024 125.289 121.300 -0.057 0.000 2.385 140 W HA 0.257 4.916 4.660 -0.001 0.000 0.336 140 W C -1.824 174.574 176.519 -0.202 0.000 1.351 140 W CA -1.374 55.836 57.345 -0.224 0.000 1.295 140 W CB 0.389 29.587 29.460 -0.437 0.000 1.239 140 W HN 0.503 nan 8.180 nan 0.000 0.565 141 P HA -0.225 nan 4.420 nan 0.000 0.222 141 P C 1.096 178.050 177.300 -0.577 0.000 1.147 141 P CA 1.623 64.499 63.100 -0.373 0.000 0.790 141 P CB 0.274 31.791 31.700 -0.304 0.000 0.780 142 N N -0.802 117.187 118.700 -1.185 0.000 2.457 142 N HA -0.108 4.632 4.740 -0.000 0.000 0.180 142 N C 1.615 176.656 175.510 -0.782 0.000 1.050 142 N CA 0.603 52.938 53.050 -1.192 0.000 0.906 142 N CB -0.702 36.627 38.487 -1.929 0.000 0.968 142 N HN 0.267 nan 8.380 nan 0.000 0.445 143 H N -0.267 118.537 119.070 -0.443 0.000 2.319 143 H HA -0.103 4.453 4.556 0.000 0.000 0.299 143 H C 1.971 177.092 175.328 -0.345 0.000 1.092 143 H CA 1.663 57.529 56.048 -0.304 0.000 1.302 143 H CB 0.163 29.966 29.762 0.069 0.000 1.373 143 H HN 0.151 nan 8.280 nan 0.000 0.497 144 K N 0.468 120.853 120.400 -0.025 0.000 2.063 144 K HA -0.151 4.169 4.320 -0.000 0.000 0.208 144 K C 2.290 178.846 176.600 -0.072 0.000 1.048 144 K CA 1.682 57.974 56.287 0.009 0.000 0.928 144 K CB 0.068 32.557 32.500 -0.019 0.000 0.713 144 K HN 0.130 nan 8.250 nan 0.000 0.442 145 S N 0.339 115.935 115.700 -0.173 0.000 2.356 145 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 145 S C 1.997 176.502 174.600 -0.158 0.000 1.032 145 S CA 1.395 59.497 58.200 -0.163 0.000 1.005 145 S CB -0.303 62.768 63.200 -0.216 0.000 0.867 145 S HN 0.129 nan 8.310 nan 0.000 0.449 146 V N 1.515 121.269 119.914 -0.268 0.000 2.255 146 V HA -0.193 3.927 4.120 -0.000 0.000 0.247 146 V C 2.078 178.089 176.094 -0.138 0.000 1.051 146 V CA 1.870 64.015 62.300 -0.258 0.000 1.018 146 V CB -0.944 30.638 31.823 -0.402 0.000 0.641 146 V HN 0.374 nan 8.190 nan 0.000 0.445 147 F N 0.694 120.664 119.950 0.033 0.000 2.146 147 F HA -0.065 4.462 4.527 0.000 0.000 0.298 147 F C 2.356 178.154 175.800 -0.003 0.000 1.096 147 F CA 1.084 59.097 58.000 0.022 0.000 1.275 147 F CB -1.317 37.690 39.000 0.011 0.000 1.008 147 F HN 0.170 nan 8.300 nan 0.000 0.480 148 N N 0.058 118.841 118.700 0.138 0.000 2.104 148 N HA -0.159 4.580 4.740 -0.000 0.000 0.190 148 N C 2.015 177.549 175.510 0.040 0.000 1.024 148 N CA 1.558 54.644 53.050 0.060 0.000 0.853 148 N CB -0.747 37.749 38.487 0.015 0.000 1.008 148 N HN 0.123 nan 8.380 nan 0.000 0.424 149 S N 0.297 116.012 115.700 0.025 0.000 2.383 149 S HA 0.003 4.472 4.470 -0.000 0.000 0.227 149 S C 1.898 176.522 174.600 0.040 0.000 1.026 149 S CA 0.931 59.141 58.200 0.016 0.000 0.981 149 S CB -0.191 63.006 63.200 -0.005 0.000 0.818 149 S HN 0.512 nan 8.310 nan 0.000 0.472 150 A N 0.223 123.086 122.820 0.073 0.000 2.168 150 A HA 0.391 4.710 4.320 -0.000 0.000 0.215 150 A C 1.680 179.305 177.584 0.068 0.000 1.152 150 A CA 1.181 53.271 52.037 0.088 0.000 0.716 150 A CB -0.675 18.414 19.000 0.147 0.000 0.794 150 A HN 0.931 nan 8.150 nan 0.000 0.465 151 G N -2.663 106.172 108.800 0.057 0.000 2.148 151 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.203 151 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.203 151 G C -0.138 174.779 174.900 0.028 0.000 0.993 151 G CA 0.140 45.260 45.100 0.034 0.000 0.661 151 G HN 0.271 nan 8.290 nan 0.000 0.518 155 V N 3.213 123.043 119.914 -0.139 0.000 2.495 155 V HA 0.820 4.940 4.120 -0.000 0.000 0.298 155 V C -1.388 174.522 176.094 -0.307 0.000 1.031 155 V CA -0.474 61.707 62.300 -0.198 0.000 0.871 155 V CB 1.529 33.336 31.823 -0.027 0.000 0.988 155 V HN 0.600 nan 8.190 nan 0.000 0.432 156 R N 3.939 124.110 120.500 -0.549 0.000 2.711 156 R HA 0.611 4.951 4.340 -0.000 0.000 0.284 156 R C -0.569 175.496 176.300 -0.392 0.000 0.968 156 R CA -0.608 55.084 56.100 -0.679 0.000 0.924 156 R CB 1.661 31.004 30.300 -1.594 0.000 1.162 156 R HN 0.894 nan 8.270 nan 0.000 0.465 157 E N 1.645 121.760 120.200 -0.142 0.000 2.231 157 E HA 0.285 4.635 4.350 -0.000 0.000 0.277 157 E C -0.805 175.987 176.600 0.319 0.000 0.999 157 E CA -0.627 55.797 56.400 0.039 0.000 0.827 157 E CB 1.342 31.041 29.700 -0.002 0.000 1.101 157 E HN 0.453 nan 8.360 nan 0.000 0.393 158 Y N -0.387 120.053 120.300 0.233 0.000 2.468 158 Y HA 0.711 5.262 4.550 0.002 0.000 0.342 158 Y C -0.260 175.721 175.900 0.136 0.000 1.021 158 Y CA -1.556 56.656 58.100 0.187 0.000 1.079 158 Y CB 0.751 39.263 38.460 0.086 0.000 1.226 158 Y HN 0.474 nan 8.280 nan 0.000 0.460 159 A N 2.478 125.456 122.820 0.264 0.000 2.483 159 A HA 0.297 4.617 4.320 -0.000 0.000 0.238 159 A C -0.682 177.061 177.584 0.266 0.000 1.070 159 A CA 0.417 52.563 52.037 0.182 0.000 0.770 159 A CB -0.203 18.868 19.000 0.117 0.000 1.008 159 A HN 1.086 nan 8.150 nan 0.000 0.497 160 Y N 0.506 120.833 120.300 0.046 0.000 3.032 160 Y HA 0.234 4.785 4.550 0.001 0.000 0.232 160 Y C -0.474 175.480 175.900 0.090 0.000 1.099 160 Y CA 0.050 58.171 58.100 0.036 0.000 1.328 160 Y CB 0.300 38.690 38.460 -0.117 0.000 1.432 160 Y HN 0.655 nan 8.280 nan 0.000 0.433 161 Y N 2.610 122.986 120.300 0.127 0.000 2.341 161 Y HA 0.430 4.980 4.550 -0.001 0.000 0.337 161 Y C -0.865 175.060 175.900 0.042 0.000 1.014 161 Y CA -1.627 56.524 58.100 0.085 0.000 1.111 161 Y CB 0.969 39.546 38.460 0.194 0.000 1.194 161 Y HN 0.097 nan 8.280 nan 0.000 0.462 162 D N 4.551 124.684 120.400 -0.446 0.000 2.428 162 D HA 0.309 4.949 4.640 -0.000 0.000 0.221 162 D C 0.481 176.276 176.300 -0.842 0.000 1.123 162 D CA 0.185 53.906 54.000 -0.465 0.000 0.869 162 D CB 1.313 41.920 40.800 -0.322 0.000 1.032 162 D HN 0.752 nan 8.370 nan 0.000 0.506 163 A N 3.990 126.475 122.820 -0.559 0.000 2.015 163 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 163 A C 1.858 179.097 177.584 -0.575 0.000 1.163 163 A CA 0.899 52.668 52.037 -0.446 0.000 0.646 163 A CB -0.248 18.729 19.000 -0.039 0.000 0.806 163 A HN 0.675 nan 8.150 nan 0.000 0.448 164 E N -0.076 119.827 120.200 -0.494 0.000 2.076 164 E HA -0.130 4.220 4.350 -0.000 0.000 0.190 164 E C 1.039 177.225 176.600 -0.690 0.000 0.979 164 E CA 0.937 57.038 56.400 -0.498 0.000 0.807 164 E CB -0.048 29.485 29.700 -0.278 0.000 0.761 164 E HN 0.553 nan 8.360 nan 0.000 0.454 165 N N 0.184 118.545 118.700 -0.565 0.000 2.422 165 N HA -0.035 4.705 4.740 -0.000 0.000 0.181 165 N C -0.635 174.639 175.510 -0.394 0.000 1.080 165 N CA 0.451 53.259 53.050 -0.403 0.000 0.893 165 N CB 0.060 38.412 38.487 -0.226 0.000 0.973 165 N HN 0.243 nan 8.380 nan 0.000 0.456 166 H N -0.712 118.106 119.070 -0.421 0.000 2.677 166 H HA -0.146 4.410 4.556 -0.000 0.000 0.321 166 H C 0.044 175.305 175.328 -0.111 0.000 1.171 166 H CA 1.084 56.913 56.048 -0.365 0.000 1.139 166 H CB -1.851 27.625 29.762 -0.477 0.000 1.515 166 H HN 0.069 nan 8.280 nan 0.000 0.423 167 T N -0.767 113.663 114.554 -0.208 0.000 2.865 167 T HA 0.531 4.881 4.350 -0.000 0.000 0.294 167 T C -0.498 174.175 174.700 -0.045 0.000 1.119 167 T CA -1.055 61.032 62.100 -0.021 0.000 1.007 167 T CB 1.602 70.445 68.868 -0.042 0.000 1.225 167 T HN 0.319 nan 8.240 nan 0.000 0.515 168 L N 2.843 124.054 121.223 -0.019 0.000 2.361 168 L HA 0.365 4.705 4.340 -0.000 0.000 0.278 168 L C -0.157 176.647 176.870 -0.111 0.000 1.113 168 L CA -0.219 54.528 54.840 -0.156 0.000 0.849 168 L CB 0.459 42.375 42.059 -0.239 0.000 1.155 168 L HN 0.641 nan 8.230 nan 0.000 0.452 169 D N 4.414 124.741 120.400 -0.123 0.000 2.522 169 D HA -0.040 4.599 4.640 -0.000 0.000 0.218 169 D C 0.802 177.090 176.300 -0.021 0.000 1.149 169 D CA -0.077 53.889 54.000 -0.057 0.000 0.981 169 D CB 0.333 41.096 40.800 -0.063 0.000 1.041 169 D HN 0.494 nan 8.370 nan 0.000 0.518 170 F N 2.304 122.182 119.950 -0.120 0.000 2.134 170 F HA -0.180 4.340 4.527 -0.010 0.000 0.299 170 F C 1.560 177.337 175.800 -0.038 0.000 1.097 170 F CA 1.352 59.295 58.000 -0.095 0.000 1.264 170 F CB 0.313 39.261 39.000 -0.086 0.000 1.001 170 F HN 0.217 nan 8.300 nan 0.000 0.479 171 D N 0.200 120.608 120.400 0.014 0.000 2.117 171 D HA -0.144 4.496 4.640 -0.000 0.000 0.197 171 D C 2.350 178.593 176.300 -0.095 0.000 0.987 171 D CA 1.475 55.445 54.000 -0.050 0.000 0.829 171 D CB -0.653 40.158 40.800 0.017 0.000 0.961 171 D HN 0.356 nan 8.370 nan 0.000 0.460 172 A N 0.571 123.353 122.820 -0.063 0.000 1.968 172 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 172 A C 2.206 179.766 177.584 -0.039 0.000 1.169 172 A CA 0.554 52.568 52.037 -0.037 0.000 0.638 172 A CB -0.633 18.360 19.000 -0.012 0.000 0.812 172 A HN 0.261 nan 8.150 nan 0.000 0.446 173 L N -0.343 120.828 121.223 -0.086 0.000 1.976 173 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 173 L C 2.281 179.052 176.870 -0.166 0.000 1.071 173 L CA 1.432 56.237 54.840 -0.058 0.000 0.746 173 L CB -0.278 41.703 42.059 -0.131 0.000 0.890 173 L HN 0.268 nan 8.230 nan 0.000 0.432 174 I N 0.491 120.869 120.570 -0.320 0.000 2.208 174 I HA -0.335 3.834 4.170 -0.000 0.000 0.245 174 I C 2.178 178.224 176.117 -0.118 0.000 1.097 174 I CA 1.784 62.937 61.300 -0.244 0.000 1.363 174 I CB -1.696 36.115 38.000 -0.314 0.000 1.051 174 I HN 0.435 nan 8.210 nan 0.000 0.413 175 N N 0.466 119.107 118.700 -0.097 0.000 2.106 175 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 175 N C 1.981 177.463 175.510 -0.046 0.000 1.029 175 N CA 1.707 54.726 53.050 -0.052 0.000 0.848 175 N CB -0.112 38.355 38.487 -0.032 0.000 1.007 175 N HN 0.381 nan 8.380 nan 0.000 0.423 176 S N 1.111 116.791 115.700 -0.034 0.000 2.400 176 S HA -0.091 4.378 4.470 -0.000 0.000 0.232 176 S C 1.774 176.271 174.600 -0.171 0.000 1.025 176 S CA 0.829 59.020 58.200 -0.014 0.000 0.993 176 S CB -0.568 62.688 63.200 0.094 0.000 0.808 176 S HN 0.257 nan 8.310 nan 0.000 0.478 177 L N 1.497 122.563 121.223 -0.262 0.000 2.552 177 L HA 0.116 4.456 4.340 -0.000 0.000 0.227 177 L C 2.310 179.005 176.870 -0.291 0.000 1.146 177 L CA 0.303 54.822 54.840 -0.534 0.000 0.858 177 L CB -0.583 41.123 42.059 -0.589 0.000 0.969 177 L HN 0.446 nan 8.230 nan 0.000 0.451 178 N N 0.217 118.845 118.700 -0.121 0.000 2.453 178 N HA -0.195 4.544 4.740 -0.000 0.000 0.183 178 N C 1.535 177.006 175.510 -0.066 0.000 1.041 178 N CA 0.780 53.815 53.050 -0.025 0.000 0.900 178 N CB 0.234 38.716 38.487 -0.010 0.000 0.961 178 N HN 0.456 nan 8.380 nan 0.000 0.443 179 E N 0.570 120.663 120.200 -0.178 0.000 2.358 179 E HA 0.041 4.391 4.350 -0.000 0.000 0.195 179 E C 0.069 176.562 176.600 -0.178 0.000 1.010 179 E CA -0.173 56.167 56.400 -0.100 0.000 0.856 179 E CB 0.196 29.922 29.700 0.044 0.000 0.795 179 E HN 0.198 nan 8.360 nan 0.000 0.504 180 A N 1.509 123.949 122.820 -0.633 0.000 2.454 180 A HA 0.125 4.444 4.320 -0.000 0.000 0.260 180 A C -0.160 177.453 177.584 0.048 0.000 1.106 180 A CA -0.018 51.639 52.037 -0.634 0.000 0.780 180 A CB 0.383 18.446 19.000 -1.561 0.000 1.044 180 A HN 0.173 nan 8.150 nan 0.000 0.498 181 Q N 0.916 120.823 119.800 0.179 0.000 2.193 181 Q HA 0.579 4.919 4.340 -0.000 0.000 0.246 181 Q C 0.355 176.525 176.000 0.284 0.000 0.959 181 Q CA -0.419 55.514 55.803 0.216 0.000 0.904 181 Q CB 1.448 30.290 28.738 0.173 0.000 1.238 181 Q HN 0.939 nan 8.270 nan 0.000 0.469 182 A N 0.510 123.450 122.820 0.200 0.000 2.546 182 A HA 0.392 4.711 4.320 -0.000 0.000 0.243 182 A C 1.089 178.778 177.584 0.176 0.000 1.063 182 A CA 0.901 53.044 52.037 0.177 0.000 0.757 182 A CB -0.893 18.160 19.000 0.088 0.000 0.991 182 A HN 0.975 nan 8.150 nan 0.000 0.503 183 G N 2.144 111.063 108.800 0.199 0.000 2.194 183 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.236 183 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.236 183 G C -0.070 174.930 174.900 0.167 0.000 0.987 183 G CA 0.275 45.469 45.100 0.158 0.000 0.635 183 G HN 0.810 nan 8.290 nan 0.000 0.520 184 D N 0.345 120.876 120.400 0.218 0.000 2.341 184 D HA 0.495 5.135 4.640 -0.000 0.000 0.245 184 D C 0.675 177.086 176.300 0.184 0.000 1.106 184 D CA -0.118 54.010 54.000 0.212 0.000 0.905 184 D CB 1.771 42.760 40.800 0.314 0.000 1.202 184 D HN 0.153 nan 8.370 nan 0.000 0.426 185 V N 1.881 121.862 119.914 0.111 0.000 2.509 185 V HA 0.287 4.407 4.120 -0.000 0.000 0.284 185 V C 0.195 176.277 176.094 -0.020 0.000 1.047 185 V CA -0.559 61.766 62.300 0.041 0.000 0.952 185 V CB 1.688 33.470 31.823 -0.067 0.000 0.988 185 V HN 0.223 nan 8.190 nan 0.000 0.469 186 V N 5.679 125.523 119.914 -0.117 0.000 2.487 186 V HA 0.383 4.503 4.120 -0.000 0.000 0.298 186 V C -0.301 175.484 176.094 -0.516 0.000 1.028 186 V CA -0.683 61.389 62.300 -0.381 0.000 0.860 186 V CB 1.802 33.172 31.823 -0.756 0.000 0.991 186 V HN 0.617 nan 8.190 nan 0.000 0.427 187 L N 5.844 126.805 121.223 -0.436 0.000 2.290 187 L HA 0.612 4.951 4.340 -0.000 0.000 0.284 187 L C -1.265 175.311 176.870 -0.490 0.000 1.078 187 L CA 0.425 55.050 54.840 -0.359 0.000 0.815 187 L CB 0.695 42.629 42.059 -0.209 0.000 1.162 187 L HN 0.512 nan 8.230 nan 0.000 0.435 188 F N 2.969 122.783 119.950 -0.227 0.000 2.532 188 F HA 0.388 4.914 4.527 -0.003 0.000 0.321 188 F C 0.016 175.821 175.800 0.008 0.000 1.089 188 F CA -0.771 57.128 58.000 -0.168 0.000 0.926 188 F CB 1.195 39.775 39.000 -0.700 0.000 1.168 188 F HN 0.438 nan 8.300 nan 0.000 0.459 189 H N 0.990 120.245 119.070 0.309 0.000 2.620 189 H HA 0.298 4.854 4.556 -0.000 0.000 0.313 189 H C 1.142 176.778 175.328 0.514 0.000 1.075 189 H CA -0.186 56.072 56.048 0.350 0.000 1.397 189 H CB 1.281 31.243 29.762 0.332 0.000 1.446 189 H HN 0.801 nan 8.280 nan 0.000 0.493 190 G N 2.071 111.188 108.800 0.528 0.000 2.440 190 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.218 190 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.218 190 G C 0.269 175.435 174.900 0.444 0.000 1.154 190 G CA 1.131 46.368 45.100 0.228 0.000 0.767 190 G HN 0.816 nan 8.290 nan 0.000 0.552 191 C N -5.295 114.394 119.300 0.648 0.000 3.306 191 C HA 0.519 4.979 4.460 -0.000 0.000 0.335 191 C C 0.421 175.731 174.990 0.533 0.000 1.382 191 C CA -0.905 58.472 59.018 0.599 0.000 1.254 191 C CB 0.699 28.773 27.740 0.556 0.000 1.555 191 C HN 0.892 nan 8.230 nan 0.000 0.463 192 C N 2.251 121.788 119.300 0.395 0.000 4.056 192 C HA -0.129 4.331 4.460 -0.000 0.000 0.302 192 C C 0.632 175.766 174.990 0.240 0.000 1.356 192 C CA 1.167 60.323 59.018 0.230 0.000 2.074 192 C CB -3.385 24.389 27.740 0.057 0.000 1.328 192 C HN 1.260 nan 8.230 nan 0.000 0.684 193 H N 1.659 120.856 119.070 0.212 0.000 3.195 193 H HA -0.010 4.547 4.556 0.001 0.000 0.302 193 H C 0.508 175.855 175.328 0.032 0.000 0.950 193 H CA 1.405 57.496 56.048 0.071 0.000 1.398 193 H CB 0.487 30.199 29.762 -0.083 0.000 1.377 193 H HN 0.696 nan 8.280 nan 0.000 0.572 194 N N 6.963 125.459 118.700 -0.340 0.000 2.444 194 N HA 0.164 4.904 4.740 -0.000 0.000 0.262 194 N C -2.191 173.022 175.510 -0.495 0.000 0.974 194 N CA -2.277 50.620 53.050 -0.254 0.000 0.933 194 N CB 1.566 40.054 38.487 0.002 0.000 1.137 194 N HN 0.399 nan 8.380 nan 0.000 0.498 195 P HA 0.118 nan 4.420 nan 0.000 0.275 195 P C 0.780 177.798 177.300 -0.471 0.000 1.310 195 P CA 0.284 63.052 63.100 -0.554 0.000 0.904 195 P CB 0.275 31.500 31.700 -0.792 0.000 1.381 196 T N -4.179 110.167 114.554 -0.346 0.000 3.023 196 T HA 0.132 4.482 4.350 -0.000 0.000 0.266 196 T C 1.757 176.511 174.700 0.090 0.000 1.093 196 T CA 1.234 63.174 62.100 -0.266 0.000 1.129 196 T CB -1.350 67.310 68.868 -0.348 0.000 0.899 196 T HN 0.175 nan 8.240 nan 0.000 0.491 197 G N 1.397 110.292 108.800 0.160 0.000 2.168 197 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.263 197 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.263 197 G C 0.069 175.111 174.900 0.236 0.000 0.977 197 G CA 0.401 45.621 45.100 0.200 0.000 0.659 197 G HN 0.689 nan 8.290 nan 0.000 0.533 198 I N 1.457 122.183 120.570 0.260 0.000 2.339 198 I HA 0.375 4.545 4.170 -0.000 0.000 0.290 198 I C -0.742 175.525 176.117 0.250 0.000 0.994 198 I CA -0.804 60.641 61.300 0.241 0.000 1.191 198 I CB 1.298 39.446 38.000 0.247 0.000 1.343 198 I HN -0.090 nan 8.210 nan 0.000 0.458 199 D N 7.519 128.044 120.400 0.207 0.000 2.269 199 D HA 0.419 5.058 4.640 -0.000 0.000 0.244 199 D C -2.363 173.935 176.300 -0.003 0.000 0.992 199 D CA -1.429 52.690 54.000 0.199 0.000 0.894 199 D CB 1.517 42.504 40.800 0.312 0.000 1.248 199 D HN 0.158 nan 8.370 nan 0.000 0.468 200 P HA 0.047 nan 4.420 nan 0.000 0.267 200 P C 0.119 177.253 177.300 -0.276 0.000 1.200 200 P CA -0.049 62.756 63.100 -0.492 0.000 0.772 200 P CB 0.260 31.210 31.700 -1.249 0.000 0.855 201 T N -0.248 114.197 114.554 -0.182 0.000 2.726 201 T HA 0.097 4.447 4.350 -0.000 0.000 0.294 201 T C 1.338 176.100 174.700 0.104 0.000 1.013 201 T CA -0.701 61.389 62.100 -0.017 0.000 0.996 201 T CB 0.253 69.083 68.868 -0.064 0.000 1.016 201 T HN 0.230 nan 8.240 nan 0.000 0.529 202 L N 0.294 121.638 121.223 0.201 0.000 2.013 202 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 202 L C 2.895 179.876 176.870 0.186 0.000 1.073 202 L CA 1.964 56.964 54.840 0.267 0.000 0.753 202 L CB -0.569 41.588 42.059 0.164 0.000 0.890 202 L HN 0.828 nan 8.230 nan 0.000 0.432 203 E N -0.768 119.469 120.200 0.062 0.000 2.110 203 E HA -0.277 4.073 4.350 -0.000 0.000 0.193 203 E C 2.113 178.697 176.600 -0.028 0.000 0.988 203 E CA 1.213 57.619 56.400 0.010 0.000 0.804 203 E CB -0.049 29.624 29.700 -0.045 0.000 0.745 203 E HN 0.645 nan 8.360 nan 0.000 0.458 204 Q N -0.360 119.352 119.800 -0.147 0.000 2.079 204 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 204 Q C 1.882 177.922 176.000 0.067 0.000 0.974 204 Q CA 1.193 56.807 55.803 -0.314 0.000 0.840 204 Q CB -0.159 28.170 28.738 -0.682 0.000 0.898 204 Q HN 0.398 nan 8.270 nan 0.000 0.430 205 W N 1.295 122.668 121.300 0.122 0.000 2.338 205 W HA -0.241 4.419 4.660 -0.000 0.000 0.304 205 W C 2.350 178.978 176.519 0.183 0.000 1.212 205 W CA 0.928 58.413 57.345 0.234 0.000 1.264 205 W CB 0.021 29.612 29.460 0.218 0.000 1.142 205 W HN 0.248 nan 8.180 nan 0.000 0.512 206 Q N -0.832 119.162 119.800 0.323 0.000 2.119 206 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 206 Q C 2.053 178.106 176.000 0.088 0.000 0.972 206 Q CA 2.005 57.897 55.803 0.148 0.000 0.847 206 Q CB -0.528 28.267 28.738 0.096 0.000 0.903 206 Q HN 0.199 nan 8.270 nan 0.000 0.433 207 T N 1.290 115.926 114.554 0.137 0.000 2.708 207 T HA -0.115 4.235 4.350 -0.000 0.000 0.266 207 T C 1.816 176.625 174.700 0.180 0.000 1.037 207 T CA 0.963 63.159 62.100 0.160 0.000 1.146 207 T CB -0.200 68.822 68.868 0.256 0.000 0.865 207 T HN 0.181 nan 8.240 nan 0.000 0.435 208 L N 0.696 122.101 121.223 0.303 0.000 2.083 208 L HA -0.061 4.278 4.340 -0.000 0.000 0.209 208 L C 3.018 179.926 176.870 0.064 0.000 1.083 208 L CA 1.056 56.106 54.840 0.350 0.000 0.752 208 L CB -0.678 41.717 42.059 0.560 0.000 0.899 208 L HN 0.236 nan 8.230 nan 0.000 0.433 209 A N -0.281 122.342 122.820 -0.329 0.000 1.877 209 A HA -0.292 4.028 4.320 -0.000 0.000 0.216 209 A C 2.283 179.637 177.584 -0.383 0.000 1.186 209 A CA 1.925 53.417 52.037 -0.908 0.000 0.620 209 A CB -0.603 17.980 19.000 -0.694 0.000 0.822 209 A HN 0.478 nan 8.150 nan 0.000 0.443 210 Q N -0.967 118.702 119.800 -0.219 0.000 2.050 210 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 210 Q C 2.003 177.875 176.000 -0.213 0.000 0.980 210 Q CA 1.801 57.492 55.803 -0.185 0.000 0.840 210 Q CB -0.259 28.416 28.738 -0.105 0.000 0.898 210 Q HN 0.531 nan 8.270 nan 0.000 0.424 211 L N 0.241 121.358 121.223 -0.176 0.000 2.046 211 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 211 L C 2.392 178.888 176.870 -0.623 0.000 1.077 211 L CA 2.219 56.883 54.840 -0.293 0.000 0.747 211 L CB -0.884 41.086 42.059 -0.148 0.000 0.896 211 L HN 0.222 nan 8.230 nan 0.000 0.432 212 S N -1.384 114.051 115.700 -0.442 0.000 2.370 212 S HA -0.176 4.294 4.470 -0.000 0.000 0.226 212 S C 1.975 176.409 174.600 -0.277 0.000 1.033 212 S CA 1.618 59.616 58.200 -0.337 0.000 1.011 212 S CB -0.413 63.119 63.200 0.554 0.000 0.852 212 S HN 0.323 nan 8.310 nan 0.000 0.457 213 V N 1.364 121.080 119.914 -0.329 0.000 2.295 213 V HA -0.146 3.974 4.120 -0.000 0.000 0.246 213 V C 2.518 178.425 176.094 -0.311 0.000 1.049 213 V CA 2.282 64.343 62.300 -0.399 0.000 1.024 213 V CB -0.785 30.765 31.823 -0.454 0.000 0.648 213 V HN 0.553 nan 8.190 nan 0.000 0.447 214 E N -0.188 119.815 120.200 -0.329 0.000 2.058 214 E HA -0.224 4.125 4.350 -0.000 0.000 0.194 214 E C 2.059 178.476 176.600 -0.305 0.000 0.997 214 E CA 1.152 57.386 56.400 -0.275 0.000 0.801 214 E CB 0.048 29.595 29.700 -0.256 0.000 0.746 214 E HN 0.388 nan 8.360 nan 0.000 0.450 215 K N -1.118 118.975 120.400 -0.511 0.000 2.426 215 K HA 0.067 4.387 4.320 -0.000 0.000 0.193 215 K C 0.918 177.302 176.600 -0.361 0.000 1.028 215 K CA 0.762 56.736 56.287 -0.522 0.000 1.047 215 K CB 0.973 32.926 32.500 -0.912 0.000 0.821 215 K HN 0.303 nan 8.250 nan 0.000 0.513 216 G N 1.922 110.553 108.800 -0.282 0.000 2.176 216 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.252 216 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.252 216 G C -0.200 174.792 174.900 0.153 0.000 1.024 216 G CA -0.113 44.964 45.100 -0.039 0.000 0.755 216 G HN 0.105 nan 8.290 nan 0.000 0.507 217 W N -1.140 120.243 121.300 0.139 0.000 2.112 217 W HA 0.604 5.264 4.660 -0.001 0.000 0.349 217 W C 0.480 177.130 176.519 0.218 0.000 1.289 217 W CA -1.286 56.153 57.345 0.157 0.000 1.256 217 W CB 0.146 29.703 29.460 0.161 0.000 1.148 217 W HN 0.227 nan 8.180 nan 0.000 0.590 218 L N 4.722 126.197 121.223 0.419 0.000 2.262 218 L HA 0.449 4.788 4.340 -0.000 0.000 0.288 218 L C -2.374 174.682 176.870 0.309 0.000 1.035 218 L CA -2.113 52.923 54.840 0.327 0.000 0.820 218 L CB 0.731 42.932 42.059 0.237 0.000 1.204 218 L HN -0.033 nan 8.230 nan 0.000 0.424 219 P HA 0.220 nan 4.420 nan 0.000 0.276 219 P C -1.330 176.135 177.300 0.276 0.000 1.243 219 P CA -0.220 63.102 63.100 0.369 0.000 0.768 219 P CB 0.994 32.959 31.700 0.442 0.000 0.856 220 L N 5.291 126.606 121.223 0.153 0.000 2.316 220 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 220 L C -1.412 175.509 176.870 0.084 0.000 1.006 220 L CA -0.480 54.452 54.840 0.152 0.000 0.836 220 L CB 0.077 42.181 42.059 0.074 0.000 1.221 220 L HN 0.100 nan 8.230 nan 0.000 0.418 221 F N 3.416 123.422 119.950 0.094 0.000 2.411 221 F HA 0.321 4.847 4.527 -0.002 0.000 0.350 221 F C 0.523 176.375 175.800 0.088 0.000 1.114 221 F CA -0.207 57.831 58.000 0.063 0.000 1.135 221 F CB 0.962 39.910 39.000 -0.087 0.000 1.120 221 F HN 0.463 nan 8.300 nan 0.000 0.495 222 D N 4.280 124.787 120.400 0.178 0.000 2.359 222 D HA 0.112 4.752 4.640 -0.000 0.000 0.230 222 D C -1.302 175.152 176.300 0.256 0.000 1.118 222 D CA -0.131 53.957 54.000 0.146 0.000 0.844 222 D CB 0.369 41.174 40.800 0.008 0.000 1.059 222 D HN 0.208 nan 8.370 nan 0.000 0.493 223 F N 3.804 123.774 119.950 0.032 0.000 2.449 223 F HA 0.472 5.000 4.527 0.002 0.000 0.344 223 F C 0.412 176.146 175.800 -0.111 0.000 1.180 223 F CA -1.360 56.656 58.000 0.026 0.000 1.209 223 F CB 0.606 39.608 39.000 0.003 0.000 1.440 223 F HN 0.445 nan 8.300 nan 0.000 0.526 224 A N 2.669 125.444 122.820 -0.074 0.000 2.220 224 A HA 0.104 4.424 4.320 -0.000 0.000 0.211 224 A C 0.091 177.265 177.584 -0.683 0.000 1.176 224 A CA 0.557 52.293 52.037 -0.502 0.000 0.834 224 A CB -0.301 18.235 19.000 -0.772 0.000 0.868 224 A HN 0.511 nan 8.150 nan 0.000 0.488 225 Y N -0.175 120.113 120.300 -0.020 0.000 2.715 225 Y HA 0.293 4.842 4.550 -0.001 0.000 0.255 225 Y C 0.565 176.534 175.900 0.116 0.000 1.139 225 Y CA -0.882 57.287 58.100 0.115 0.000 1.151 225 Y CB -0.130 38.412 38.460 0.137 0.000 1.201 225 Y HN 0.359 nan 8.280 nan 0.000 0.556 226 Q N 0.998 120.656 119.800 -0.237 0.000 2.247 226 Q HA 0.300 4.640 4.340 -0.000 0.000 0.288 226 Q C 1.150 177.097 176.000 -0.089 0.000 1.079 226 Q CA 1.589 57.175 55.803 -0.362 0.000 0.932 226 Q CB 0.126 28.275 28.738 -0.982 0.000 1.133 226 Q HN 0.808 nan 8.270 nan 0.000 0.377 227 G N 3.342 112.117 108.800 -0.042 0.000 2.238 227 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 227 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 227 G C 0.164 174.893 174.900 -0.285 0.000 0.996 227 G CA 0.042 45.014 45.100 -0.214 0.000 0.632 227 G HN 0.646 nan 8.290 nan 0.000 0.503 228 F N 1.401 121.368 119.950 0.027 0.000 2.749 228 F HA 0.595 5.121 4.527 -0.001 0.000 0.300 228 F C 2.438 178.264 175.800 0.043 0.000 1.103 228 F CA 1.247 59.264 58.000 0.028 0.000 1.342 228 F CB 0.333 39.375 39.000 0.070 0.000 1.098 228 F HN 0.362 nan 8.300 nan 0.000 0.586 229 A N 0.318 123.268 122.820 0.217 0.000 1.896 229 A HA 0.145 4.465 4.320 -0.000 0.000 0.213 229 A C 2.103 179.755 177.584 0.113 0.000 1.306 229 A CA 0.780 52.926 52.037 0.182 0.000 0.626 229 A CB -0.068 19.070 19.000 0.230 0.000 0.994 229 A HN 0.222 nan 8.150 nan 0.000 0.475 230 R N -2.243 118.313 120.500 0.093 0.000 2.320 230 R HA 0.408 4.747 4.340 -0.000 0.000 0.193 230 R C 0.622 176.919 176.300 -0.005 0.000 0.885 230 R CA 0.629 56.758 56.100 0.049 0.000 1.085 230 R CB 1.061 31.403 30.300 0.070 0.000 1.253 230 R HN 0.616 nan 8.270 nan 0.000 0.636 234 E N 1.349 121.562 120.200 0.022 0.000 2.072 234 E HA -0.134 4.215 4.350 -0.000 0.000 0.190 234 E C 1.589 178.222 176.600 0.055 0.000 0.982 234 E CA 1.215 57.639 56.400 0.039 0.000 0.803 234 E CB 0.131 29.843 29.700 0.021 0.000 0.755 234 E HN 0.470 nan 8.360 nan 0.000 0.453 235 E N 0.765 120.997 120.200 0.053 0.000 2.077 235 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 235 E C 1.436 178.104 176.600 0.112 0.000 0.989 235 E CA 1.007 57.450 56.400 0.071 0.000 0.800 235 E CB 0.002 29.741 29.700 0.065 0.000 0.746 235 E HN 0.155 nan 8.360 nan 0.000 0.452 236 D N -0.028 120.465 120.400 0.154 0.000 2.309 236 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 236 D C 1.213 177.681 176.300 0.279 0.000 0.968 236 D CA 0.794 54.951 54.000 0.262 0.000 0.882 236 D CB 0.012 41.000 40.800 0.313 0.000 0.918 236 D HN 0.138 nan 8.370 nan 0.000 0.503 237 A N 0.063 122.997 122.820 0.190 0.000 2.308 237 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 237 A C 1.730 179.215 177.584 -0.164 0.000 1.216 237 A CA -0.044 51.997 52.037 0.007 0.000 0.864 237 A CB -0.079 18.988 19.000 0.111 0.000 0.902 237 A HN 0.071 nan 8.150 nan 0.000 0.499 238 E N 0.077 120.219 120.200 -0.098 0.000 2.077 238 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 238 E C 2.105 178.542 176.600 -0.271 0.000 0.989 238 E CA 0.993 57.331 56.400 -0.104 0.000 0.800 238 E CB -0.219 29.486 29.700 0.008 0.000 0.746 238 E HN 0.603 nan 8.360 nan 0.000 0.452 239 G N 1.652 110.090 108.800 -0.603 0.000 2.433 239 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.216 239 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.216 239 G C 1.567 175.889 174.900 -0.963 0.000 1.186 239 G CA 0.816 45.087 45.100 -1.382 0.000 0.779 239 G HN 0.189 nan 8.290 nan 0.000 0.543 240 L N 0.665 121.242 121.223 -1.077 0.000 2.012 240 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 240 L C 2.820 179.378 176.870 -0.520 0.000 1.073 240 L CA 1.933 56.039 54.840 -1.223 0.000 0.748 240 L CB -0.542 40.776 42.059 -1.236 0.000 0.891 240 L HN 0.160 nan 8.230 nan 0.000 0.431 241 R N -0.587 119.735 120.500 -0.297 0.000 2.115 241 R HA -0.034 4.306 4.340 -0.000 0.000 0.230 241 R C 2.276 178.549 176.300 -0.044 0.000 1.111 241 R CA 1.057 57.106 56.100 -0.085 0.000 0.976 241 R CB -0.575 29.702 30.300 -0.039 0.000 0.870 241 R HN 0.561 nan 8.270 nan 0.000 0.445 242 A N 0.702 123.494 122.820 -0.047 0.000 1.902 242 A HA -0.159 4.160 4.320 -0.000 0.000 0.217 242 A C 1.835 179.459 177.584 0.066 0.000 1.181 242 A CA 1.162 53.215 52.037 0.026 0.000 0.623 242 A CB -0.567 18.480 19.000 0.078 0.000 0.818 242 A HN 0.183 nan 8.150 nan 0.000 0.443 243 F N 0.236 120.141 119.950 -0.076 0.000 2.102 243 F HA -0.126 4.402 4.527 0.002 0.000 0.298 243 F C 2.803 178.650 175.800 0.078 0.000 1.105 243 F CA 1.135 59.162 58.000 0.045 0.000 1.239 243 F CB -0.574 38.390 39.000 -0.060 0.000 0.991 243 F HN 0.256 nan 8.300 nan 0.000 0.474 244 A N -0.311 122.575 122.820 0.111 0.000 1.972 244 A HA -0.052 4.268 4.320 -0.000 0.000 0.219 244 A C 2.326 179.911 177.584 0.001 0.000 1.169 244 A CA 1.548 53.598 52.037 0.022 0.000 0.635 244 A CB -1.241 17.723 19.000 -0.060 0.000 0.810 244 A HN 0.304 nan 8.150 nan 0.000 0.446 245 A N -1.523 121.300 122.820 0.004 0.000 2.121 245 A HA 0.038 4.358 4.320 -0.000 0.000 0.218 245 A C 2.020 179.588 177.584 -0.027 0.000 1.154 245 A CA 1.604 53.629 52.037 -0.020 0.000 0.679 245 A CB -0.279 18.709 19.000 -0.021 0.000 0.795 245 A HN 0.446 nan 8.150 nan 0.000 0.458 246 M N -1.637 117.960 119.600 -0.005 0.000 2.571 246 M HA 0.192 4.672 4.480 -0.000 0.000 0.259 246 M C -0.092 176.114 176.300 -0.157 0.000 1.205 246 M CA 0.541 55.781 55.300 -0.099 0.000 1.138 246 M CB -0.489 32.006 32.600 -0.175 0.000 1.329 246 M HN 0.379 nan 8.290 nan 0.000 0.503 247 H N 0.206 119.260 119.070 -0.026 0.000 2.479 247 H HA 0.265 4.821 4.556 -0.001 0.000 0.335 247 H C 0.753 176.087 175.328 0.010 0.000 1.142 247 H CA 0.043 56.102 56.048 0.019 0.000 1.234 247 H CB 1.575 31.404 29.762 0.113 0.000 1.503 247 H HN -0.067 nan 8.280 nan 0.000 0.510 248 K N 0.969 121.437 120.400 0.113 0.000 2.167 248 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 248 K C -0.266 176.405 176.600 0.118 0.000 1.052 248 K CA 1.038 57.373 56.287 0.081 0.000 0.956 248 K CB 0.384 32.917 32.500 0.055 0.000 0.735 248 K HN 0.603 nan 8.250 nan 0.000 0.451 249 E N 1.125 121.442 120.200 0.195 0.000 2.272 249 E HA 0.345 4.695 4.350 -0.000 0.000 0.269 249 E C -1.065 175.669 176.600 0.223 0.000 0.877 249 E CA -0.643 55.872 56.400 0.191 0.000 0.755 249 E CB 2.010 31.826 29.700 0.193 0.000 1.192 249 E HN -0.057 nan 8.360 nan 0.000 0.422 250 L N -0.310 121.028 121.223 0.191 0.000 2.838 250 L HA 0.634 4.974 4.340 -0.000 0.000 0.266 250 L C -1.588 175.411 176.870 0.215 0.000 1.040 250 L CA -0.885 54.083 54.840 0.212 0.000 0.906 250 L CB 0.887 43.067 42.059 0.202 0.000 1.501 250 L HN 0.618 nan 8.230 nan 0.000 0.407 251 I N 0.955 121.671 120.570 0.244 0.000 2.647 251 I HA 0.680 4.850 4.170 -0.000 0.000 0.295 251 I C -0.801 175.468 176.117 0.252 0.000 1.078 251 I CA -1.023 60.414 61.300 0.227 0.000 1.048 251 I CB 2.440 40.575 38.000 0.226 0.000 1.239 251 I HN 0.355 nan 8.210 nan 0.000 0.421 252 V N 4.315 124.358 119.914 0.215 0.000 2.487 252 V HA 0.625 4.745 4.120 -0.000 0.000 0.298 252 V C 0.048 176.245 176.094 0.172 0.000 1.028 252 V CA -0.628 61.794 62.300 0.203 0.000 0.860 252 V CB 1.623 33.517 31.823 0.118 0.000 0.991 252 V HN 0.810 nan 8.190 nan 0.000 0.427 253 A N 3.898 126.829 122.820 0.184 0.000 2.273 253 A HA 0.761 5.081 4.320 -0.000 0.000 0.320 253 A C 0.325 177.967 177.584 0.098 0.000 1.358 253 A CA -0.300 51.822 52.037 0.142 0.000 0.910 253 A CB 0.435 19.533 19.000 0.165 0.000 1.159 253 A HN 0.994 nan 8.150 nan 0.000 0.526 254 S N 1.512 117.230 115.700 0.029 0.000 2.664 254 S HA 0.842 5.312 4.470 -0.000 0.000 0.304 254 S C -0.081 174.394 174.600 -0.207 0.000 1.099 254 S CA -0.467 57.677 58.200 -0.093 0.000 1.003 254 S CB 1.749 64.843 63.200 -0.177 0.000 1.092 254 S HN 1.090 nan 8.310 nan 0.000 0.525 255 S N -0.049 115.438 115.700 -0.354 0.000 2.536 255 S HA 0.592 5.062 4.470 -0.000 0.000 0.287 255 S C -1.330 172.997 174.600 -0.455 0.000 1.101 255 S CA -0.616 57.394 58.200 -0.317 0.000 0.950 255 S CB 0.795 63.833 63.200 -0.270 0.000 1.056 255 S HN 0.689 nan 8.310 nan 0.000 0.481 256 Y N 1.824 122.092 120.300 -0.053 0.000 2.507 256 Y HA 0.392 4.942 4.550 0.000 0.000 0.254 256 Y C 1.502 177.396 175.900 -0.009 0.000 1.171 256 Y CA -0.302 57.803 58.100 0.009 0.000 1.238 256 Y CB 0.147 38.543 38.460 -0.107 0.000 1.148 256 Y HN 0.473 nan 8.280 nan 0.000 0.525 260 F N 1.995 122.079 119.950 0.224 0.000 2.678 260 F HA 0.594 5.120 4.527 -0.001 0.000 0.305 260 F C 1.259 177.050 175.800 -0.014 0.000 1.090 260 F CA 0.399 58.479 58.000 0.135 0.000 1.272 260 F CB 0.905 39.881 39.000 -0.041 0.000 1.060 260 F HN 0.210 nan 8.300 nan 0.000 0.576 261 A N 0.710 123.511 122.820 -0.031 0.000 2.640 261 A HA -0.238 4.082 4.320 -0.000 0.000 0.300 261 A C 0.618 178.035 177.584 -0.277 0.000 1.499 261 A CA 0.593 52.456 52.037 -0.291 0.000 0.759 261 A CB -1.951 17.117 19.000 0.114 0.000 1.048 261 A HN 0.292 nan 8.150 nan 0.000 0.450 262 L N -0.750 120.258 121.223 -0.358 0.000 3.110 262 L HA 0.389 4.729 4.340 -0.000 0.000 0.266 262 L C 1.264 178.072 176.870 -0.103 0.000 1.257 262 L CA 0.132 54.904 54.840 -0.114 0.000 1.038 262 L CB -1.005 41.038 42.059 -0.027 0.000 1.395 262 L HN 0.521 nan 8.230 nan 0.000 0.566 263 Y N 0.145 120.499 120.300 0.091 0.000 2.062 263 Y HA -0.380 4.170 4.550 -0.001 0.000 0.276 263 Y C 2.179 178.103 175.900 0.040 0.000 1.189 263 Y CA 2.258 60.392 58.100 0.057 0.000 1.130 263 Y CB -1.007 37.484 38.460 0.053 0.000 0.959 263 Y HN 0.566 nan 8.280 nan 0.000 0.499 264 N N -0.468 118.365 118.700 0.223 0.000 2.521 264 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 264 N C 0.906 176.457 175.510 0.069 0.000 1.146 264 N CA 0.579 53.703 53.050 0.125 0.000 0.893 264 N CB -0.034 38.517 38.487 0.106 0.000 0.975 264 N HN 0.359 nan 8.380 nan 0.000 0.451 265 E N 0.773 121.010 120.200 0.061 0.000 2.447 265 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 265 E C -0.177 176.417 176.600 -0.010 0.000 1.028 265 E CA 0.031 56.451 56.400 0.033 0.000 0.876 265 E CB 0.210 29.945 29.700 0.057 0.000 0.885 265 E HN 0.250 nan 8.360 nan 0.000 0.500 266 R N -0.288 120.210 120.500 -0.003 0.000 2.958 266 R HA -0.102 4.238 4.340 -0.000 0.000 0.277 266 R C -0.958 175.309 176.300 -0.055 0.000 0.940 266 R CA 0.161 56.243 56.100 -0.029 0.000 0.664 266 R CB -3.031 27.233 30.300 -0.059 0.000 1.551 266 R HN -0.074 nan 8.270 nan 0.000 0.455 267 V N 0.703 120.610 119.914 -0.013 0.000 2.376 267 V HA 0.865 4.985 4.120 -0.000 0.000 0.287 267 V C 1.022 177.225 176.094 0.182 0.000 1.015 267 V CA 0.081 62.395 62.300 0.023 0.000 0.834 267 V CB 2.047 33.870 31.823 -0.000 0.000 1.001 267 V HN 0.735 nan 8.190 nan 0.000 0.428 268 G N 2.923 111.843 108.800 0.200 0.000 2.827 268 G HA2 0.939 4.899 3.960 -0.000 0.000 0.296 268 G HA3 0.939 4.899 3.960 -0.000 0.000 0.296 268 G C -1.401 173.692 174.900 0.322 0.000 1.362 268 G CA -0.199 45.025 45.100 0.206 0.000 0.809 268 G HN 1.142 nan 8.290 nan 0.000 0.522 269 A N -1.683 121.255 122.820 0.197 0.000 2.547 269 A HA 0.590 4.910 4.320 -0.000 0.000 0.297 269 A C -1.217 176.459 177.584 0.153 0.000 1.056 269 A CA -0.320 51.861 52.037 0.240 0.000 0.688 269 A CB 1.314 20.457 19.000 0.239 0.000 1.282 269 A HN 1.710 nan 8.150 nan 0.000 0.400 270 C N 2.086 121.496 119.300 0.182 0.000 2.281 270 C HA 0.799 5.259 4.460 -0.000 0.000 0.323 270 C C 0.063 175.153 174.990 0.168 0.000 1.270 270 C CA 0.112 59.229 59.018 0.165 0.000 1.559 270 C CB -0.475 27.364 27.740 0.165 0.000 2.239 270 C HN 0.794 nan 8.230 nan 0.000 0.488 271 T N 7.113 121.749 114.554 0.138 0.000 2.770 271 T HA 0.388 4.738 4.350 -0.000 0.000 0.283 271 T C -0.527 174.252 174.700 0.131 0.000 0.988 271 T CA -0.226 61.951 62.100 0.127 0.000 0.957 271 T CB 1.028 69.975 68.868 0.131 0.000 0.930 271 T HN 0.644 nan 8.240 nan 0.000 0.443 272 L N 4.389 125.659 121.223 0.079 0.000 2.275 272 L HA 0.652 4.992 4.340 -0.000 0.000 0.288 272 L C -0.914 175.988 176.870 0.055 0.000 1.046 272 L CA -0.691 54.185 54.840 0.062 0.000 0.805 272 L CB 1.139 43.215 42.059 0.028 0.000 1.193 272 L HN 0.385 nan 8.230 nan 0.000 0.426 273 V N 4.274 124.238 119.914 0.083 0.000 2.495 273 V HA 0.779 4.898 4.120 -0.000 0.000 0.298 273 V C 0.070 176.202 176.094 0.063 0.000 1.031 273 V CA -0.423 61.896 62.300 0.031 0.000 0.871 273 V CB 1.477 33.297 31.823 -0.004 0.000 0.988 273 V HN 0.919 nan 8.190 nan 0.000 0.432 274 A N 3.287 126.129 122.820 0.038 0.000 2.483 274 A HA 0.917 5.237 4.320 -0.000 0.000 0.286 274 A C 1.081 178.683 177.584 0.031 0.000 1.207 274 A CA 0.077 52.151 52.037 0.063 0.000 0.764 274 A CB 1.204 20.255 19.000 0.085 0.000 1.341 274 A HN 1.140 nan 8.150 nan 0.000 0.428 275 A N -0.594 122.250 122.820 0.040 0.000 1.972 275 A HA 0.265 4.585 4.320 -0.000 0.000 0.219 275 A C 0.542 178.128 177.584 0.003 0.000 1.169 275 A CA 2.369 54.418 52.037 0.020 0.000 0.635 275 A CB -0.732 18.284 19.000 0.026 0.000 0.810 275 A HN 1.094 nan 8.150 nan 0.000 0.446 276 D N -5.084 115.321 120.400 0.008 0.000 2.665 276 D HA 0.377 5.017 4.640 -0.000 0.000 0.287 276 D C 0.400 176.702 176.300 0.003 0.000 1.266 276 D CA 0.072 54.072 54.000 -0.001 0.000 0.830 276 D CB 0.265 41.067 40.800 0.003 0.000 1.356 276 D HN -0.213 nan 8.370 nan 0.000 0.437 277 S N -0.652 115.046 115.700 -0.003 0.000 2.356 277 S HA -0.207 4.262 4.470 -0.000 0.000 0.223 277 S C 1.508 176.118 174.600 0.017 0.000 1.032 277 S CA 1.646 59.845 58.200 -0.001 0.000 1.005 277 S CB -0.443 62.754 63.200 -0.005 0.000 0.867 277 S HN 0.680 nan 8.310 nan 0.000 0.449 278 E N 0.544 120.757 120.200 0.022 0.000 2.070 278 E HA -0.192 4.157 4.350 -0.000 0.000 0.197 278 E C 1.826 178.456 176.600 0.049 0.000 1.004 278 E CA 1.768 58.188 56.400 0.033 0.000 0.805 278 E CB -0.246 29.471 29.700 0.029 0.000 0.744 278 E HN 0.417 nan 8.360 nan 0.000 0.451 279 T N 0.334 114.917 114.554 0.049 0.000 2.737 279 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 279 T C 1.847 176.602 174.700 0.092 0.000 1.038 279 T CA 1.120 63.262 62.100 0.070 0.000 1.144 279 T CB -0.271 68.636 68.868 0.065 0.000 0.866 279 T HN 0.105 nan 8.240 nan 0.000 0.434 280 V N 1.772 121.728 119.914 0.071 0.000 2.427 280 V HA -0.160 3.960 4.120 -0.000 0.000 0.248 280 V C 2.006 178.165 176.094 0.109 0.000 1.051 280 V CA 1.960 64.306 62.300 0.077 0.000 1.048 280 V CB -0.504 31.327 31.823 0.013 0.000 0.666 280 V HN 0.370 nan 8.190 nan 0.000 0.456 281 D N -0.370 120.082 120.400 0.086 0.000 2.117 281 D HA -0.176 4.464 4.640 -0.000 0.000 0.197 281 D C 2.257 178.655 176.300 0.163 0.000 0.987 281 D CA 1.538 55.610 54.000 0.121 0.000 0.829 281 D CB -0.313 40.533 40.800 0.078 0.000 0.961 281 D HN 0.412 nan 8.370 nan 0.000 0.460 282 R N 0.515 121.092 120.500 0.130 0.000 2.073 282 R HA -0.064 4.276 4.340 -0.000 0.000 0.234 282 R C 2.088 178.489 176.300 0.168 0.000 1.134 282 R CA 1.455 57.630 56.100 0.125 0.000 0.952 282 R CB -0.175 30.183 30.300 0.097 0.000 0.850 282 R HN 0.113 nan 8.270 nan 0.000 0.433 283 A N 0.161 123.107 122.820 0.209 0.000 1.933 283 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 283 A C 1.946 179.725 177.584 0.325 0.000 1.175 283 A CA 1.126 53.349 52.037 0.310 0.000 0.628 283 A CB -0.712 18.505 19.000 0.362 0.000 0.814 283 A HN 0.521 nan 8.150 nan 0.000 0.444 284 F N 1.232 121.223 119.950 0.069 0.000 2.293 284 F HA 0.057 4.583 4.527 -0.001 0.000 0.300 284 F C 2.222 178.038 175.800 0.028 0.000 1.086 284 F CA 0.807 58.800 58.000 -0.010 0.000 1.375 284 F CB -0.560 38.430 39.000 -0.017 0.000 1.045 284 F HN 0.208 nan 8.300 nan 0.000 0.516 285 G N -0.262 108.589 108.800 0.085 0.000 2.440 285 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 285 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 285 G C 1.528 176.413 174.900 -0.027 0.000 1.154 285 G CA 0.683 45.781 45.100 -0.004 0.000 0.767 285 G HN 0.316 nan 8.290 nan 0.000 0.552 286 Q N -0.515 119.334 119.800 0.082 0.000 2.172 286 Q HA 0.061 4.400 4.340 -0.000 0.000 0.200 286 Q C 2.413 178.511 176.000 0.163 0.000 0.964 286 Q CA 0.890 56.777 55.803 0.140 0.000 0.855 286 Q CB -0.300 28.575 28.738 0.229 0.000 0.918 286 Q HN 0.628 nan 8.270 nan 0.000 0.444 287 M N 0.653 120.286 119.600 0.056 0.000 2.117 287 M HA -0.193 4.286 4.480 -0.000 0.000 0.262 287 M C 1.754 177.887 176.300 -0.277 0.000 1.065 287 M CA 1.571 56.768 55.300 -0.171 0.000 1.114 287 M CB 0.097 32.371 32.600 -0.543 0.000 1.361 287 M HN -0.040 nan 8.290 nan 0.000 0.408 288 K N 0.152 120.290 120.400 -0.436 0.000 2.097 288 K HA -0.104 4.215 4.320 -0.000 0.000 0.206 288 K C 1.983 178.463 176.600 -0.200 0.000 1.049 288 K CA 1.437 57.506 56.287 -0.363 0.000 0.933 288 K CB -0.334 31.946 32.500 -0.366 0.000 0.717 288 K HN 0.464 nan 8.250 nan 0.000 0.442 289 A N 1.384 124.129 122.820 -0.124 0.000 1.902 289 A HA -0.138 4.181 4.320 -0.000 0.000 0.217 289 A C 2.346 179.887 177.584 -0.071 0.000 1.181 289 A CA 1.907 53.898 52.037 -0.077 0.000 0.623 289 A CB -0.705 18.277 19.000 -0.029 0.000 0.818 289 A HN 0.341 nan 8.150 nan 0.000 0.443 290 A N -0.420 122.377 122.820 -0.037 0.000 1.969 290 A HA 0.009 4.328 4.320 -0.000 0.000 0.218 290 A C 2.079 179.605 177.584 -0.096 0.000 1.169 290 A CA 1.358 53.386 52.037 -0.015 0.000 0.635 290 A CB -0.516 18.535 19.000 0.085 0.000 0.810 290 A HN 0.498 nan 8.150 nan 0.000 0.445 291 I N -1.040 119.425 120.570 -0.176 0.000 2.286 291 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 291 I C 2.618 178.475 176.117 -0.434 0.000 1.104 291 I CA 1.459 62.537 61.300 -0.370 0.000 1.397 291 I CB -0.184 37.605 38.000 -0.351 0.000 1.072 291 I HN 0.278 nan 8.210 nan 0.000 0.417 292 R N 2.061 122.398 120.500 -0.273 0.000 2.091 292 R HA -0.112 4.227 4.340 -0.000 0.000 0.238 292 R C 1.908 178.102 176.300 -0.176 0.000 1.136 292 R CA 1.982 57.950 56.100 -0.219 0.000 0.959 292 R CB -0.746 29.462 30.300 -0.153 0.000 0.856 292 R HN 0.326 nan 8.270 nan 0.000 0.437 293 A N -0.039 122.701 122.820 -0.134 0.000 2.252 293 A HA 0.038 4.358 4.320 -0.000 0.000 0.207 293 A C 1.464 179.002 177.584 -0.076 0.000 1.194 293 A CA 0.761 52.747 52.037 -0.084 0.000 0.809 293 A CB -0.557 18.413 19.000 -0.049 0.000 0.814 293 A HN 0.466 nan 8.150 nan 0.000 0.482 294 N N -0.660 117.955 118.700 -0.142 0.000 2.830 294 N HA 0.055 4.795 4.740 -0.000 0.000 0.232 294 N C 0.839 176.325 175.510 -0.041 0.000 1.062 294 N CA 1.429 54.433 53.050 -0.077 0.000 1.204 294 N CB -0.000 38.445 38.487 -0.070 0.000 1.589 294 N HN 0.416 nan 8.380 nan 0.000 0.604 295 Y N -1.190 119.113 120.300 0.004 0.000 2.641 295 Y HA 0.617 5.167 4.550 -0.001 0.000 0.248 295 Y C 1.003 176.904 175.900 0.002 0.000 1.170 295 Y CA -0.058 58.046 58.100 0.007 0.000 1.201 295 Y CB 0.178 38.646 38.460 0.013 0.000 1.232 295 Y HN 0.039 nan 8.280 nan 0.000 0.537 296 S N 0.296 115.826 115.700 -0.283 0.000 1.577 296 S HA -0.281 4.189 4.470 -0.000 0.000 0.240 296 S C 0.452 174.959 174.600 -0.156 0.000 0.755 296 S CA 1.957 60.042 58.200 -0.193 0.000 1.398 296 S CB -1.705 61.433 63.200 -0.104 0.000 1.552 296 S HN 1.088 nan 8.310 nan 0.000 0.510 297 S N 1.444 117.181 115.700 0.062 0.000 2.565 297 S HA 0.733 5.203 4.470 -0.000 0.000 0.269 297 S C -3.492 171.320 174.600 0.353 0.000 1.153 297 S CA -1.125 57.174 58.200 0.165 0.000 0.835 297 S CB 2.682 65.950 63.200 0.114 0.000 1.122 297 S HN 0.347 nan 8.310 nan 0.000 0.462 298 P HA 0.520 nan 4.420 nan 0.000 0.281 298 P C -2.865 174.443 177.300 0.013 0.000 1.264 298 P CA -1.857 61.315 63.100 0.120 0.000 0.824 298 P CB -0.294 31.437 31.700 0.050 0.000 1.092 299 P HA 0.135 nan 4.420 nan 0.000 0.276 299 P C 0.338 177.584 177.300 -0.091 0.000 1.235 299 P CA -0.083 62.983 63.100 -0.057 0.000 0.772 299 P CB 0.764 32.422 31.700 -0.069 0.000 0.871 300 A N 3.151 125.938 122.820 -0.057 0.000 1.897 300 A HA -0.189 4.130 4.320 -0.000 0.000 0.215 300 A C 2.241 179.774 177.584 -0.085 0.000 1.181 300 A CA 1.121 53.109 52.037 -0.081 0.000 0.620 300 A CB -1.561 17.413 19.000 -0.043 0.000 0.821 300 A HN 0.746 nan 8.150 nan 0.000 0.443 301 H N -0.152 118.850 119.070 -0.112 0.000 2.290 301 H HA -0.145 4.411 4.556 -0.000 0.000 0.298 301 H C 2.305 177.556 175.328 -0.128 0.000 1.087 301 H CA 2.023 58.013 56.048 -0.097 0.000 1.291 301 H CB -0.379 29.341 29.762 -0.069 0.000 1.369 301 H HN 0.415 nan 8.280 nan 0.000 0.492 302 G N 0.010 108.742 108.800 -0.112 0.000 2.421 302 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 302 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 302 G C 1.945 176.652 174.900 -0.322 0.000 1.171 302 G CA 1.094 46.078 45.100 -0.192 0.000 0.775 302 G HN 0.566 nan 8.290 nan 0.000 0.543 303 A N 0.440 123.035 122.820 -0.375 0.000 1.933 303 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 303 A C 2.615 179.984 177.584 -0.358 0.000 1.175 303 A CA 2.234 53.931 52.037 -0.566 0.000 0.628 303 A CB -0.767 17.678 19.000 -0.924 0.000 0.814 303 A HN 0.391 nan 8.150 nan 0.000 0.444 304 S N -0.683 114.839 115.700 -0.296 0.000 2.368 304 S HA -0.130 4.340 4.470 -0.000 0.000 0.225 304 S C 1.926 176.378 174.600 -0.248 0.000 1.030 304 S CA 1.547 59.617 58.200 -0.217 0.000 0.999 304 S CB -0.477 62.616 63.200 -0.179 0.000 0.844 304 S HN 0.304 nan 8.310 nan 0.000 0.459 305 V N 1.358 121.070 119.914 -0.336 0.000 2.255 305 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 305 V C 2.446 178.311 176.094 -0.380 0.000 1.051 305 V CA 1.981 64.087 62.300 -0.323 0.000 1.018 305 V CB -0.743 30.879 31.823 -0.334 0.000 0.641 305 V HN 0.410 nan 8.190 nan 0.000 0.445 306 V N 0.134 119.711 119.914 -0.562 0.000 2.287 306 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 306 V C 2.687 178.454 176.094 -0.546 0.000 1.053 306 V CA 2.235 63.990 62.300 -0.907 0.000 1.027 306 V CB -1.155 29.928 31.823 -1.234 0.000 0.646 306 V HN 0.582 nan 8.190 nan 0.000 0.447 307 A N -0.675 121.975 122.820 -0.283 0.000 1.902 307 A HA -0.229 4.090 4.320 -0.000 0.000 0.217 307 A C 2.388 179.860 177.584 -0.187 0.000 1.181 307 A CA 2.487 54.415 52.037 -0.182 0.000 0.623 307 A CB -0.993 17.979 19.000 -0.046 0.000 0.818 307 A HN 0.506 nan 8.150 nan 0.000 0.443 308 T N 0.351 114.790 114.554 -0.191 0.000 2.684 308 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 308 T C 1.796 176.379 174.700 -0.196 0.000 1.036 308 T CA 1.644 63.627 62.100 -0.196 0.000 1.148 308 T CB -0.405 68.350 68.868 -0.190 0.000 0.863 308 T HN 0.438 nan 8.240 nan 0.000 0.436 309 I N 0.491 120.947 120.570 -0.190 0.000 2.163 309 I HA -0.096 4.074 4.170 -0.000 0.000 0.240 309 I C 2.275 178.316 176.117 -0.126 0.000 1.081 309 I CA 1.198 62.421 61.300 -0.129 0.000 1.353 309 I CB -0.339 37.617 38.000 -0.073 0.000 1.054 309 I HN 0.176 nan 8.210 nan 0.000 0.407 310 L N 0.392 121.495 121.223 -0.199 0.000 2.201 310 L HA -0.149 4.190 4.340 -0.000 0.000 0.212 310 L C 2.427 179.237 176.870 -0.101 0.000 1.105 310 L CA 1.450 56.193 54.840 -0.163 0.000 0.775 310 L CB -0.450 41.458 42.059 -0.251 0.000 0.913 310 L HN 0.383 nan 8.230 nan 0.000 0.440 311 S N -2.344 113.287 115.700 -0.115 0.000 2.556 311 S HA 0.002 4.471 4.470 -0.000 0.000 0.216 311 S C 0.575 175.129 174.600 -0.078 0.000 0.970 311 S CA -0.431 57.717 58.200 -0.087 0.000 0.912 311 S CB -0.314 62.832 63.200 -0.089 0.000 0.790 311 S HN 0.356 nan 8.310 nan 0.000 0.504 312 N N 1.211 119.859 118.700 -0.086 0.000 2.446 312 N HA 0.312 5.051 4.740 -0.000 0.000 0.265 312 N C -0.020 175.466 175.510 -0.040 0.000 0.975 312 N CA -0.360 52.643 53.050 -0.078 0.000 0.928 312 N CB 1.269 39.682 38.487 -0.124 0.000 1.160 312 N HN -0.169 nan 8.380 nan 0.000 0.495 313 D N 2.428 122.812 120.400 -0.027 0.000 2.126 313 D HA -0.229 4.411 4.640 -0.000 0.000 0.190 313 D C 1.624 177.924 176.300 -0.000 0.000 1.001 313 D CA 1.840 55.835 54.000 -0.008 0.000 0.841 313 D CB -0.341 40.453 40.800 -0.009 0.000 0.949 313 D HN 0.676 nan 8.370 nan 0.000 0.446 314 A N 0.420 123.234 122.820 -0.011 0.000 1.877 314 A HA -0.114 4.206 4.320 -0.000 0.000 0.216 314 A C 2.427 180.014 177.584 0.005 0.000 1.186 314 A CA 0.948 52.982 52.037 -0.006 0.000 0.620 314 A CB -0.824 18.169 19.000 -0.012 0.000 0.822 314 A HN 0.226 nan 8.150 nan 0.000 0.443 315 L N -1.202 120.019 121.223 -0.003 0.000 2.056 315 L HA -0.157 4.182 4.340 -0.000 0.000 0.207 315 L C 2.847 179.765 176.870 0.080 0.000 1.078 315 L CA 1.552 56.402 54.840 0.017 0.000 0.749 315 L CB -0.350 41.694 42.059 -0.026 0.000 0.901 315 L HN 0.468 nan 8.230 nan 0.000 0.433 316 R N -0.113 120.436 120.500 0.082 0.000 2.096 316 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 316 R C 2.207 178.618 176.300 0.185 0.000 1.127 316 R CA 1.416 57.629 56.100 0.188 0.000 0.968 316 R CB -0.159 30.221 30.300 0.135 0.000 0.861 316 R HN 0.370 nan 8.270 nan 0.000 0.440 317 A N 0.798 123.662 122.820 0.073 0.000 1.930 317 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 317 A C 2.091 179.667 177.584 -0.014 0.000 1.175 317 A CA 1.060 53.104 52.037 0.012 0.000 0.627 317 A CB -0.353 18.645 19.000 -0.004 0.000 0.815 317 A HN 0.316 nan 8.150 nan 0.000 0.443 318 I N -2.160 118.421 120.570 0.019 0.000 2.179 318 I HA -0.276 3.893 4.170 -0.000 0.000 0.242 318 I C 2.419 178.531 176.117 -0.008 0.000 1.088 318 I CA 1.760 63.062 61.300 0.004 0.000 1.357 318 I CB -0.346 37.670 38.000 0.028 0.000 1.051 318 I HN 0.747 nan 8.210 nan 0.000 0.409 319 W N 2.209 123.430 121.300 -0.132 0.000 2.355 319 W HA -0.199 4.461 4.660 -0.001 0.000 0.309 319 W C 2.326 178.688 176.519 -0.262 0.000 1.206 319 W CA 1.546 58.760 57.345 -0.219 0.000 1.284 319 W CB -0.330 28.973 29.460 -0.262 0.000 1.145 319 W HN 0.064 nan 8.180 nan 0.000 0.502 320 E N -0.186 119.692 120.200 -0.537 0.000 2.118 320 E HA -0.331 4.018 4.350 -0.000 0.000 0.195 320 E C 2.019 178.267 176.600 -0.586 0.000 0.992 320 E CA 1.641 57.550 56.400 -0.819 0.000 0.804 320 E CB -0.338 29.107 29.700 -0.425 0.000 0.741 320 E HN 0.260 nan 8.360 nan 0.000 0.458 321 Q N 1.239 120.825 119.800 -0.357 0.000 2.084 321 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 321 Q C 1.621 177.435 176.000 -0.310 0.000 0.978 321 Q CA 1.549 57.188 55.803 -0.274 0.000 0.844 321 Q CB 0.020 28.660 28.738 -0.164 0.000 0.898 321 Q HN 0.271 nan 8.270 nan 0.000 0.426 322 E N -0.508 119.492 120.200 -0.333 0.000 2.118 322 E HA -0.193 4.156 4.350 -0.000 0.000 0.195 322 E C 1.828 178.157 176.600 -0.452 0.000 0.992 322 E CA 1.133 57.346 56.400 -0.313 0.000 0.804 322 E CB -0.184 29.385 29.700 -0.218 0.000 0.741 322 E HN 0.298 nan 8.360 nan 0.000 0.458 323 L N 0.859 121.666 121.223 -0.694 0.000 2.027 323 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 323 L C 2.223 178.717 176.870 -0.627 0.000 1.074 323 L CA 1.887 56.256 54.840 -0.784 0.000 0.745 323 L CB -0.777 40.616 42.059 -1.111 0.000 0.898 323 L HN -0.021 nan 8.230 nan 0.000 0.433 324 T N -0.084 114.162 114.554 -0.513 0.000 2.699 324 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 324 T C 1.471 176.012 174.700 -0.264 0.000 1.036 324 T CA 1.717 63.607 62.100 -0.350 0.000 1.147 324 T CB -0.395 68.306 68.868 -0.278 0.000 0.862 324 T HN 0.415 nan 8.240 nan 0.000 0.446 325 D N 0.783 121.032 120.400 -0.251 0.000 2.117 325 D HA -0.031 4.609 4.640 -0.000 0.000 0.197 325 D C 2.123 178.330 176.300 -0.154 0.000 0.987 325 D CA 1.012 54.915 54.000 -0.162 0.000 0.829 325 D CB -0.312 40.408 40.800 -0.132 0.000 0.961 325 D HN 0.393 nan 8.370 nan 0.000 0.460 326 M N -0.033 119.374 119.600 -0.323 0.000 2.067 326 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 326 M C 2.378 178.625 176.300 -0.089 0.000 1.069 326 M CA 1.147 56.183 55.300 -0.439 0.000 1.117 326 M CB -0.243 31.895 32.600 -0.770 0.000 1.334 326 M HN -0.068 nan 8.290 nan 0.000 0.407 327 R N 0.603 120.987 120.500 -0.193 0.000 2.096 327 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 327 R C 2.027 178.331 176.300 0.007 0.000 1.139 327 R CA 1.978 58.039 56.100 -0.064 0.000 0.952 327 R CB -0.196 29.983 30.300 -0.202 0.000 0.854 327 R HN 0.513 nan 8.270 nan 0.000 0.436 328 Q N -0.519 119.261 119.800 -0.034 0.000 2.079 328 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 328 Q C 2.279 178.303 176.000 0.040 0.000 0.974 328 Q CA 1.205 57.006 55.803 -0.005 0.000 0.840 328 Q CB -0.132 28.587 28.738 -0.031 0.000 0.898 328 Q HN 0.299 nan 8.270 nan 0.000 0.430 329 R N 0.740 121.288 120.500 0.079 0.000 2.081 329 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 329 R C 2.148 178.515 176.300 0.112 0.000 1.131 329 R CA 1.209 57.380 56.100 0.118 0.000 0.960 329 R CB -0.201 30.227 30.300 0.214 0.000 0.856 329 R HN 0.249 nan 8.270 nan 0.000 0.436 330 I N 0.808 121.474 120.570 0.160 0.000 2.208 330 I HA -0.324 3.845 4.170 -0.000 0.000 0.245 330 I C 2.408 178.562 176.117 0.062 0.000 1.097 330 I CA 1.503 62.867 61.300 0.107 0.000 1.363 330 I CB -0.275 37.810 38.000 0.143 0.000 1.051 330 I HN 0.293 nan 8.210 nan 0.000 0.413 331 Q N 0.325 120.165 119.800 0.065 0.000 2.084 331 Q HA -0.197 4.142 4.340 -0.000 0.000 0.202 331 Q C 2.377 178.403 176.000 0.042 0.000 0.978 331 Q CA 1.340 57.174 55.803 0.051 0.000 0.844 331 Q CB -0.193 28.571 28.738 0.043 0.000 0.898 331 Q HN 0.490 nan 8.270 nan 0.000 0.426 332 R N -0.198 120.324 120.500 0.038 0.000 2.081 332 R HA -0.057 4.282 4.340 -0.000 0.000 0.235 332 R C 2.211 178.529 176.300 0.030 0.000 1.131 332 R CA 1.067 57.186 56.100 0.030 0.000 0.960 332 R CB -0.160 30.156 30.300 0.026 0.000 0.856 332 R HN 0.272 nan 8.270 nan 0.000 0.436 333 M N 0.239 119.853 119.600 0.024 0.000 2.159 333 M HA -0.122 4.358 4.480 -0.000 0.000 0.263 333 M C 2.126 178.451 176.300 0.042 0.000 1.063 333 M CA 1.451 56.755 55.300 0.007 0.000 1.110 333 M CB -0.799 31.777 32.600 -0.040 0.000 1.374 333 M HN 0.081 nan 8.290 nan 0.000 0.411 334 R N -0.194 120.336 120.500 0.051 0.000 2.083 334 R HA -0.230 4.110 4.340 -0.000 0.000 0.237 334 R C 2.304 178.666 176.300 0.104 0.000 1.137 334 R CA 1.828 57.986 56.100 0.098 0.000 0.951 334 R CB -0.171 30.173 30.300 0.073 0.000 0.851 334 R HN 0.242 nan 8.270 nan 0.000 0.434 335 Q N 0.454 120.290 119.800 0.061 0.000 2.084 335 Q HA -0.143 4.197 4.340 -0.000 0.000 0.202 335 Q C 1.861 177.885 176.000 0.039 0.000 0.978 335 Q CA 1.407 57.233 55.803 0.038 0.000 0.844 335 Q CB -0.346 28.408 28.738 0.027 0.000 0.898 335 Q HN 0.291 nan 8.270 nan 0.000 0.426 336 L N -0.241 121.015 121.223 0.055 0.000 2.083 336 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 336 L C 1.994 178.920 176.870 0.094 0.000 1.083 336 L CA 1.602 56.474 54.840 0.054 0.000 0.752 336 L CB -0.895 41.190 42.059 0.044 0.000 0.899 336 L HN 0.331 nan 8.230 nan 0.000 0.433 337 F N -0.465 119.438 119.950 -0.078 0.000 2.069 337 F HA -0.205 4.321 4.527 -0.001 0.000 0.298 337 F C 2.284 177.996 175.800 -0.147 0.000 1.113 337 F CA 2.016 59.945 58.000 -0.119 0.000 1.214 337 F CB -0.908 38.012 39.000 -0.133 0.000 0.978 337 F HN -0.059 nan 8.300 nan 0.000 0.474 338 V N 0.821 120.621 119.914 -0.189 0.000 2.295 338 V HA -0.355 3.765 4.120 -0.000 0.000 0.246 338 V C 2.076 178.073 176.094 -0.161 0.000 1.049 338 V CA 2.412 64.543 62.300 -0.282 0.000 1.024 338 V CB -1.048 30.680 31.823 -0.158 0.000 0.648 338 V HN 0.392 nan 8.190 nan 0.000 0.447 339 N N -0.361 118.294 118.700 -0.074 0.000 2.166 339 N HA -0.154 4.586 4.740 -0.000 0.000 0.186 339 N C 1.776 177.257 175.510 -0.049 0.000 1.019 339 N CA 1.699 54.723 53.050 -0.043 0.000 0.856 339 N CB -0.191 38.287 38.487 -0.015 0.000 0.993 339 N HN 0.449 nan 8.380 nan 0.000 0.426 340 T N 1.191 115.715 114.554 -0.050 0.000 2.857 340 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 340 T C 1.762 176.413 174.700 -0.081 0.000 1.048 340 T CA 0.356 62.433 62.100 -0.038 0.000 1.139 340 T CB -0.064 68.809 68.868 0.008 0.000 0.874 340 T HN 0.037 nan 8.240 nan 0.000 0.455 341 L N 1.513 122.625 121.223 -0.185 0.000 2.079 341 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 341 L C 2.602 179.424 176.870 -0.080 0.000 1.081 341 L CA 1.705 56.414 54.840 -0.218 0.000 0.752 341 L CB -1.345 40.426 42.059 -0.480 0.000 0.896 341 L HN 0.289 nan 8.230 nan 0.000 0.433 342 Q N -0.122 119.645 119.800 -0.054 0.000 2.050 342 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 342 Q C 2.117 178.110 176.000 -0.012 0.000 0.980 342 Q CA 1.817 57.613 55.803 -0.012 0.000 0.840 342 Q CB -0.060 28.672 28.738 -0.009 0.000 0.898 342 Q HN 0.515 nan 8.270 nan 0.000 0.424 343 E N -0.432 119.756 120.200 -0.019 0.000 2.110 343 E HA -0.163 4.186 4.350 -0.000 0.000 0.193 343 E C 1.608 178.202 176.600 -0.010 0.000 0.988 343 E CA 1.023 57.417 56.400 -0.011 0.000 0.804 343 E CB 0.098 29.792 29.700 -0.010 0.000 0.745 343 E HN 0.151 nan 8.360 nan 0.000 0.458 344 K N -0.749 119.640 120.400 -0.018 0.000 2.486 344 K HA 0.030 4.349 4.320 -0.000 0.000 0.194 344 K C 1.064 177.658 176.600 -0.010 0.000 1.033 344 K CA 0.818 57.094 56.287 -0.017 0.000 1.004 344 K CB 0.856 33.337 32.500 -0.032 0.000 0.798 344 K HN 0.305 nan 8.250 nan 0.000 0.495 345 G N 0.436 109.234 108.800 -0.003 0.000 2.154 345 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.186 345 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.186 345 G C 0.123 175.036 174.900 0.022 0.000 1.000 345 G CA -0.079 45.026 45.100 0.008 0.000 0.664 345 G HN 0.428 nan 8.290 nan 0.000 0.513 346 A N 0.806 123.648 122.820 0.037 0.000 2.454 346 A HA 0.544 4.863 4.320 -0.000 0.000 0.260 346 A C 1.537 179.160 177.584 0.066 0.000 1.106 346 A CA 0.638 52.732 52.037 0.094 0.000 0.780 346 A CB 0.221 19.355 19.000 0.222 0.000 1.044 346 A HN 0.772 nan 8.150 nan 0.000 0.498 347 N N 3.072 121.793 118.700 0.036 0.000 2.188 347 N HA -0.136 4.604 4.740 -0.000 0.000 0.184 347 N C 0.702 176.191 175.510 -0.034 0.000 1.018 347 N CA 1.297 54.347 53.050 -0.000 0.000 0.858 347 N CB -0.387 38.095 38.487 -0.009 0.000 0.989 347 N HN 0.838 nan 8.380 nan 0.000 0.426 348 R N 0.005 120.450 120.500 -0.092 0.000 2.607 348 R HA 0.349 4.689 4.340 -0.000 0.000 0.261 348 R C -0.912 175.204 176.300 -0.307 0.000 1.051 348 R CA -0.801 55.163 56.100 -0.225 0.000 1.110 348 R CB 0.441 30.537 30.300 -0.341 0.000 1.158 348 R HN -0.165 nan 8.270 nan 0.000 0.543 349 D N 0.680 120.927 120.400 -0.255 0.000 2.339 349 D HA 0.025 4.665 4.640 -0.000 0.000 0.256 349 D C -0.864 175.271 176.300 -0.274 0.000 1.214 349 D CA -0.096 53.813 54.000 -0.152 0.000 0.877 349 D CB 0.182 40.963 40.800 -0.031 0.000 1.111 349 D HN 0.558 nan 8.370 nan 0.000 0.478 350 F N 1.597 121.463 119.950 -0.140 0.000 2.668 350 F HA 0.055 4.582 4.527 -0.001 0.000 0.301 350 F C 2.204 177.671 175.800 -0.555 0.000 1.106 350 F CA -0.322 57.404 58.000 -0.458 0.000 1.289 350 F CB 0.377 39.082 39.000 -0.492 0.000 1.006 350 F HN 0.392 nan 8.300 nan 0.000 0.535 351 S N 0.153 115.797 115.700 -0.093 0.000 2.442 351 S HA -0.256 4.214 4.470 -0.000 0.000 0.236 351 S C 1.952 176.541 174.600 -0.020 0.000 1.007 351 S CA 1.017 59.192 58.200 -0.041 0.000 0.965 351 S CB -1.154 62.066 63.200 0.033 0.000 0.773 351 S HN 0.542 nan 8.310 nan 0.000 0.504 352 F N 1.544 121.524 119.950 0.051 0.000 2.269 352 F HA 0.181 4.708 4.527 0.000 0.000 0.301 352 F C 1.801 177.668 175.800 0.113 0.000 1.082 352 F CA 0.228 58.273 58.000 0.076 0.000 1.360 352 F CB -0.807 38.210 39.000 0.028 0.000 1.041 352 F HN 0.145 nan 8.300 nan 0.000 0.512 353 I N 0.850 121.130 120.570 -0.484 0.000 2.361 353 I HA -0.241 3.929 4.170 -0.000 0.000 0.251 353 I C 2.216 178.339 176.117 0.011 0.000 1.133 353 I CA 0.749 61.933 61.300 -0.193 0.000 1.413 353 I CB -0.493 37.327 38.000 -0.301 0.000 1.073 353 I HN 0.185 nan 8.210 nan 0.000 0.424 354 I N 1.092 121.660 120.570 -0.003 0.000 2.493 354 I HA -0.206 3.963 4.170 -0.000 0.000 0.254 354 I C 2.098 178.268 176.117 0.088 0.000 1.160 354 I CA 1.529 62.855 61.300 0.045 0.000 1.445 354 I CB -1.032 36.986 38.000 0.030 0.000 1.086 354 I HN 0.283 nan 8.210 nan 0.000 0.433 355 K N 0.476 120.950 120.400 0.124 0.000 2.418 355 K HA 0.009 4.329 4.320 -0.000 0.000 0.195 355 K C 0.616 177.321 176.600 0.175 0.000 1.035 355 K CA 0.101 56.478 56.287 0.151 0.000 1.003 355 K CB -0.004 32.603 32.500 0.179 0.000 0.793 355 K HN 0.435 nan 8.250 nan 0.000 0.494 356 Q N 1.170 121.085 119.800 0.192 0.000 2.327 356 Q HA 0.146 4.485 4.340 -0.000 0.000 0.254 356 Q C -0.795 175.298 176.000 0.156 0.000 0.952 356 Q CA -0.076 55.849 55.803 0.204 0.000 0.884 356 Q CB 0.931 29.814 28.738 0.241 0.000 1.224 356 Q HN 0.166 nan 8.270 nan 0.000 0.422 357 N N 0.426 119.220 118.700 0.157 0.000 2.443 357 N HA 0.618 5.358 4.740 -0.000 0.000 0.295 357 N C -0.207 175.353 175.510 0.084 0.000 1.076 357 N CA 0.062 53.194 53.050 0.136 0.000 0.919 357 N CB 1.552 40.143 38.487 0.174 0.000 1.176 357 N HN 0.765 nan 8.380 nan 0.000 0.487 358 G N 0.661 109.490 108.800 0.049 0.000 2.451 358 G HA2 -0.241 3.718 3.960 -0.000 0.000 0.208 358 G HA3 -0.241 3.718 3.960 -0.000 0.000 0.208 358 G C 0.349 175.121 174.900 -0.213 0.000 1.248 358 G CA -0.488 44.551 45.100 -0.102 0.000 0.989 358 G HN 0.463 nan 8.290 nan 0.000 0.559 359 M N -0.267 119.002 119.600 -0.552 0.000 2.476 359 M HA 0.315 4.795 4.480 -0.000 0.000 0.262 359 M C 0.203 176.119 176.300 -0.640 0.000 1.111 359 M CA 0.951 55.826 55.300 -0.709 0.000 1.127 359 M CB 0.073 31.948 32.600 -1.208 0.000 1.376 359 M HN 0.235 nan 8.290 nan 0.000 0.465 360 F N -0.878 119.005 119.950 -0.111 0.000 2.470 360 F HA 0.388 4.915 4.527 -0.001 0.000 0.329 360 F C 0.445 176.266 175.800 0.035 0.000 1.072 360 F CA -1.223 56.751 58.000 -0.044 0.000 0.989 360 F CB 1.392 40.368 39.000 -0.040 0.000 1.193 360 F HN -0.323 nan 8.300 nan 0.000 0.481 361 S N 2.225 118.099 115.700 0.291 0.000 2.530 361 S HA 0.440 4.910 4.470 -0.000 0.000 0.322 361 S C -1.140 173.706 174.600 0.410 0.000 1.085 361 S CA -0.430 57.959 58.200 0.315 0.000 1.096 361 S CB 0.018 63.384 63.200 0.277 0.000 0.988 361 S HN 0.419 nan 8.310 nan 0.000 0.466 362 F N 5.519 125.614 119.950 0.240 0.000 2.464 362 F HA 0.291 4.817 4.527 -0.001 0.000 0.353 362 F C 1.547 177.563 175.800 0.360 0.000 1.191 362 F CA -0.752 57.372 58.000 0.207 0.000 1.147 362 F CB 0.431 39.484 39.000 0.088 0.000 1.294 362 F HN 0.728 nan 8.300 nan 0.000 0.583 363 S N 2.467 118.299 115.700 0.220 0.000 2.478 363 S HA 0.216 4.686 4.470 -0.000 0.000 0.222 363 S C 1.744 176.542 174.600 0.329 0.000 1.008 363 S CA 0.438 58.834 58.200 0.326 0.000 0.928 363 S CB -0.210 63.130 63.200 0.233 0.000 0.781 363 S HN 1.260 nan 8.310 nan 0.000 0.518 364 G N 0.933 109.762 108.800 0.049 0.000 2.175 364 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 364 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 364 G C -0.014 174.912 174.900 0.043 0.000 0.982 364 G CA 0.116 45.241 45.100 0.042 0.000 0.641 364 G HN 0.533 nan 8.290 nan 0.000 0.527 365 L N 1.506 122.760 121.223 0.052 0.000 2.485 365 L HA 0.322 4.661 4.340 -0.000 0.000 0.275 365 L C 1.412 178.283 176.870 0.002 0.000 1.207 365 L CA 0.253 55.121 54.840 0.046 0.000 0.855 365 L CB 0.517 42.610 42.059 0.056 0.000 1.114 365 L HN 0.166 nan 8.230 nan 0.000 0.485 366 T N 1.868 116.432 114.554 0.018 0.000 2.868 366 T HA 0.072 4.422 4.350 -0.000 0.000 0.292 366 T C 1.206 175.914 174.700 0.013 0.000 1.028 366 T CA -0.432 61.674 62.100 0.011 0.000 1.059 366 T CB 1.024 69.903 68.868 0.019 0.000 0.991 366 T HN 0.547 nan 8.240 nan 0.000 0.531 367 K N 1.350 121.757 120.400 0.012 0.000 2.063 367 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 367 K C 2.098 178.706 176.600 0.014 0.000 1.048 367 K CA 1.621 57.916 56.287 0.013 0.000 0.928 367 K CB 0.004 32.512 32.500 0.012 0.000 0.713 367 K HN 0.475 nan 8.250 nan 0.000 0.442 368 E N 0.827 121.036 120.200 0.015 0.000 2.106 368 E HA -0.151 4.198 4.350 -0.000 0.000 0.192 368 E C 1.985 178.600 176.600 0.026 0.000 0.984 368 E CA 1.089 57.500 56.400 0.018 0.000 0.806 368 E CB -0.013 29.698 29.700 0.018 0.000 0.750 368 E HN 0.290 nan 8.360 nan 0.000 0.458 369 Q N -0.000 119.817 119.800 0.029 0.000 2.050 369 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 369 Q C 2.429 178.450 176.000 0.035 0.000 0.980 369 Q CA 1.738 57.564 55.803 0.039 0.000 0.840 369 Q CB -0.257 28.505 28.738 0.041 0.000 0.898 369 Q HN 0.383 nan 8.270 nan 0.000 0.424 370 V N -0.405 119.523 119.914 0.024 0.000 2.515 370 V HA -0.187 3.933 4.120 -0.000 0.000 0.250 370 V C 1.999 178.090 176.094 -0.005 0.000 1.058 370 V CA 1.300 63.609 62.300 0.014 0.000 1.064 370 V CB -0.423 31.410 31.823 0.016 0.000 0.675 370 V HN 0.285 nan 8.190 nan 0.000 0.461 371 L N 0.899 122.121 121.223 -0.002 0.000 2.017 371 L HA -0.089 4.251 4.340 -0.000 0.000 0.208 371 L C 2.799 179.664 176.870 -0.009 0.000 1.073 371 L CA 2.158 56.988 54.840 -0.017 0.000 0.745 371 L CB -0.941 41.114 42.059 -0.007 0.000 0.894 371 L HN 0.293 nan 8.230 nan 0.000 0.432 372 R N -0.942 119.576 120.500 0.031 0.000 2.091 372 R HA -0.169 4.171 4.340 -0.000 0.000 0.238 372 R C 2.297 178.687 176.300 0.150 0.000 1.136 372 R CA 1.760 57.906 56.100 0.077 0.000 0.959 372 R CB -0.591 29.779 30.300 0.116 0.000 0.856 372 R HN 0.386 nan 8.270 nan 0.000 0.437 373 L N 0.152 121.457 121.223 0.136 0.000 2.042 373 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 373 L C 2.874 179.795 176.870 0.085 0.000 1.076 373 L CA 1.516 56.459 54.840 0.171 0.000 0.749 373 L CB -0.436 41.651 42.059 0.046 0.000 0.893 373 L HN 0.256 nan 8.230 nan 0.000 0.432 374 R N 0.312 120.753 120.500 -0.098 0.000 2.057 374 R HA -0.143 4.197 4.340 -0.000 0.000 0.229 374 R C 2.108 178.293 176.300 -0.192 0.000 1.136 374 R CA 1.530 57.416 56.100 -0.356 0.000 0.952 374 R CB -0.104 29.890 30.300 -0.511 0.000 0.848 374 R HN 0.387 nan 8.270 nan 0.000 0.430 375 E N 0.113 120.249 120.200 -0.106 0.000 2.072 375 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 375 E C 1.833 178.372 176.600 -0.100 0.000 0.985 375 E CA 1.394 57.747 56.400 -0.079 0.000 0.801 375 E CB 0.081 29.746 29.700 -0.057 0.000 0.750 375 E HN 0.529 nan 8.360 nan 0.000 0.452 376 E N -0.869 119.252 120.200 -0.133 0.000 2.340 376 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 376 E C 0.856 177.094 176.600 -0.603 0.000 0.996 376 E CA 0.421 56.583 56.400 -0.397 0.000 0.869 376 E CB 0.324 29.684 29.700 -0.566 0.000 0.835 376 E HN 0.193 nan 8.360 nan 0.000 0.493 377 F N -1.104 118.840 119.950 -0.010 0.000 2.817 377 F HA 0.310 4.837 4.527 -0.000 0.000 0.333 377 F C 1.270 177.095 175.800 0.042 0.000 1.085 377 F CA 0.090 58.099 58.000 0.014 0.000 1.170 377 F CB 1.442 40.451 39.000 0.016 0.000 1.066 377 F HN -0.008 nan 8.300 nan 0.000 0.564 378 G N 1.696 110.593 108.800 0.162 0.000 2.198 378 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.260 378 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.260 378 G C -0.245 174.870 174.900 0.358 0.000 1.025 378 G CA 0.261 45.506 45.100 0.241 0.000 0.769 378 G HN 0.176 nan 8.290 nan 0.000 0.507 379 V N 0.601 120.643 119.914 0.213 0.000 2.370 379 V HA 0.528 4.647 4.120 -0.000 0.000 0.279 379 V C -0.268 175.893 176.094 0.112 0.000 1.029 379 V CA -0.902 61.531 62.300 0.222 0.000 0.870 379 V CB 1.061 32.957 31.823 0.123 0.000 0.984 379 V HN 0.234 nan 8.190 nan 0.000 0.451 380 Y N 3.595 123.959 120.300 0.107 0.000 2.369 380 Y HA 0.729 5.279 4.550 -0.001 0.000 0.337 380 Y C 0.464 176.380 175.900 0.027 0.000 0.961 380 Y CA -0.312 57.840 58.100 0.086 0.000 1.186 380 Y CB 1.609 40.146 38.460 0.128 0.000 1.139 380 Y HN 0.737 nan 8.280 nan 0.000 0.494 381 A N 2.262 125.145 122.820 0.106 0.000 2.435 381 A HA 0.839 5.159 4.320 -0.000 0.000 0.296 381 A C -1.085 176.543 177.584 0.073 0.000 1.147 381 A CA -0.833 51.253 52.037 0.081 0.000 0.775 381 A CB 0.815 19.850 19.000 0.058 0.000 1.340 381 A HN 0.400 nan 8.150 nan 0.000 0.427 382 V N 0.993 120.945 119.914 0.065 0.000 2.775 382 V HA 0.344 4.463 4.120 -0.000 0.000 0.299 382 V C 1.731 177.853 176.094 0.047 0.000 1.062 382 V CA 0.562 62.891 62.300 0.049 0.000 1.063 382 V CB 1.007 32.845 31.823 0.025 0.000 0.994 382 V HN 1.228 nan 8.190 nan 0.000 0.483 383 A N 3.076 125.917 122.820 0.036 0.000 2.070 383 A HA -0.115 4.205 4.320 -0.000 0.000 0.220 383 A C 2.214 179.822 177.584 0.039 0.000 1.159 383 A CA 1.726 53.781 52.037 0.030 0.000 0.656 383 A CB -0.564 18.448 19.000 0.020 0.000 0.800 383 A HN 1.082 nan 8.150 nan 0.000 0.453 384 S N -1.965 113.775 115.700 0.068 0.000 2.555 384 S HA 0.304 4.774 4.470 -0.000 0.000 0.230 384 S C 1.524 176.151 174.600 0.044 0.000 0.978 384 S CA 1.141 59.410 58.200 0.115 0.000 0.934 384 S CB -0.405 62.943 63.200 0.245 0.000 0.766 384 S HN 1.876 nan 8.310 nan 0.000 0.533 385 G N 1.186 110.008 108.800 0.036 0.000 2.175 385 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.244 385 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.244 385 G C 0.134 175.084 174.900 0.083 0.000 0.982 385 G CA -0.031 45.068 45.100 -0.003 0.000 0.641 385 G HN 0.656 nan 8.290 nan 0.000 0.527 386 R N 0.755 121.369 120.500 0.191 0.000 2.458 386 R HA 0.405 4.744 4.340 -0.000 0.000 0.303 386 R C 0.569 176.962 176.300 0.156 0.000 1.013 386 R CA 0.645 56.883 56.100 0.230 0.000 1.026 386 R CB 0.361 30.706 30.300 0.075 0.000 0.948 386 R HN 0.720 nan 8.270 nan 0.000 0.417 387 V N 1.988 122.021 119.914 0.199 0.000 2.628 387 V HA 0.330 4.450 4.120 -0.000 0.000 0.306 387 V C -0.189 176.025 176.094 0.201 0.000 1.045 387 V CA -1.034 61.345 62.300 0.131 0.000 0.905 387 V CB 1.791 33.624 31.823 0.017 0.000 0.997 387 V HN 0.841 nan 8.190 nan 0.000 0.436 388 N N 3.069 121.849 118.700 0.133 0.000 2.448 388 N HA 0.188 4.928 4.740 -0.000 0.000 0.250 388 N C 0.781 176.192 175.510 -0.165 0.000 1.136 388 N CA -0.378 52.688 53.050 0.027 0.000 0.953 388 N CB 1.530 40.020 38.487 0.005 0.000 1.251 388 N HN 0.673 nan 8.380 nan 0.000 0.502 389 V N 3.680 123.473 119.914 -0.202 0.000 2.490 389 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 389 V C 2.284 178.247 176.094 -0.218 0.000 1.061 389 V CA 1.979 64.125 62.300 -0.257 0.000 1.064 389 V CB -0.656 31.060 31.823 -0.179 0.000 0.670 389 V HN 0.804 nan 8.190 nan 0.000 0.461 390 A N 0.323 123.012 122.820 -0.218 0.000 2.216 390 A HA 0.084 4.404 4.320 -0.000 0.000 0.214 390 A C 2.130 179.556 177.584 -0.263 0.000 1.160 390 A CA 1.319 53.244 52.037 -0.186 0.000 0.725 390 A CB -0.546 18.381 19.000 -0.122 0.000 0.784 390 A HN 0.549 nan 8.150 nan 0.000 0.472 391 G N -1.319 107.338 108.800 -0.239 0.000 3.088 391 G HA2 0.348 4.307 3.960 -0.000 0.000 0.217 391 G HA3 0.348 4.307 3.960 -0.000 0.000 0.217 391 G C 0.529 175.305 174.900 -0.207 0.000 1.159 391 G CA -0.371 44.590 45.100 -0.231 0.000 0.760 391 G HN 0.429 nan 8.290 nan 0.000 0.550 392 M N 1.883 121.355 119.600 -0.214 0.000 2.235 392 M HA 0.407 4.887 4.480 -0.000 0.000 0.351 392 M C 0.347 176.561 176.300 -0.144 0.000 1.178 392 M CA -0.006 55.182 55.300 -0.186 0.000 1.143 392 M CB 1.499 33.957 32.600 -0.238 0.000 1.530 392 M HN 0.121 nan 8.290 nan 0.000 0.461 393 T N -1.120 113.373 114.554 -0.102 0.000 2.865 393 T HA 0.492 4.841 4.350 -0.000 0.000 0.294 393 T C -2.528 172.146 174.700 -0.043 0.000 1.119 393 T CA -1.751 60.304 62.100 -0.075 0.000 1.007 393 T CB 1.712 70.538 68.868 -0.069 0.000 1.225 393 T HN 0.269 nan 8.240 nan 0.000 0.515 394 P HA -0.039 nan 4.420 nan 0.000 0.218 394 P C 0.829 178.124 177.300 -0.008 0.000 1.148 394 P CA 1.029 64.122 63.100 -0.012 0.000 0.822 394 P CB 0.031 31.727 31.700 -0.007 0.000 0.784 395 D N -1.109 119.285 120.400 -0.011 0.000 2.183 395 D HA -0.090 4.550 4.640 -0.000 0.000 0.203 395 D C 1.357 177.657 176.300 0.000 0.000 0.969 395 D CA 1.099 55.097 54.000 -0.003 0.000 0.842 395 D CB -0.595 40.203 40.800 -0.003 0.000 0.957 395 D HN 0.337 nan 8.370 nan 0.000 0.484 396 N N -0.219 118.475 118.700 -0.009 0.000 2.280 396 N HA -0.012 4.727 4.740 -0.000 0.000 0.192 396 N C 1.414 176.920 175.510 -0.006 0.000 1.109 396 N CA 0.086 53.134 53.050 -0.003 0.000 0.855 396 N CB -0.163 38.319 38.487 -0.008 0.000 0.974 396 N HN -0.031 nan 8.380 nan 0.000 0.482 397 M N 0.872 120.467 119.600 -0.007 0.000 2.132 397 M HA 0.193 4.673 4.480 -0.000 0.000 0.263 397 M C 1.896 178.210 176.300 0.024 0.000 1.065 397 M CA 1.300 56.604 55.300 0.007 0.000 1.122 397 M CB -0.550 32.060 32.600 0.018 0.000 1.365 397 M HN 0.257 nan 8.290 nan 0.000 0.411 398 A N 1.044 123.874 122.820 0.017 0.000 1.851 398 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 398 A C -0.241 177.351 177.584 0.012 0.000 1.195 398 A CA 1.863 53.909 52.037 0.015 0.000 0.622 398 A CB -2.406 16.603 19.000 0.015 0.000 0.831 398 A HN 0.486 nan 8.150 nan 0.000 0.444 399 P HA -0.157 nan 4.420 nan 0.000 0.216 399 P C 1.625 178.928 177.300 0.004 0.000 1.150 399 P CA 1.665 64.782 63.100 0.028 0.000 0.837 399 P CB -0.373 31.359 31.700 0.053 0.000 0.786 400 L N -2.046 119.181 121.223 0.006 0.000 2.141 400 L HA 0.005 4.345 4.340 -0.000 0.000 0.209 400 L C 2.366 179.225 176.870 -0.019 0.000 1.094 400 L CA 1.736 56.571 54.840 -0.009 0.000 0.763 400 L CB -2.073 39.980 42.059 -0.011 0.000 0.908 400 L HN -0.130 nan 8.230 nan 0.000 0.437 401 C N 0.309 119.615 119.300 0.010 0.000 2.457 401 C HA -0.035 4.424 4.460 -0.000 0.000 0.278 401 C C 2.666 177.609 174.990 -0.078 0.000 1.309 401 C CA 0.798 59.813 59.018 -0.006 0.000 1.735 401 C CB -0.803 26.942 27.740 0.008 0.000 1.992 401 C HN 0.644 nan 8.230 nan 0.000 0.493 402 E N 1.181 121.333 120.200 -0.081 0.000 2.085 402 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 402 E C 2.342 178.772 176.600 -0.284 0.000 0.994 402 E CA 1.480 57.812 56.400 -0.113 0.000 0.801 402 E CB -0.240 29.431 29.700 -0.049 0.000 0.743 402 E HN 0.673 nan 8.360 nan 0.000 0.453 403 A N 1.118 123.685 122.820 -0.422 0.000 1.877 403 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 403 A C 2.201 179.418 177.584 -0.612 0.000 1.186 403 A CA 1.214 52.677 52.037 -0.957 0.000 0.620 403 A CB -0.646 17.968 19.000 -0.643 0.000 0.822 403 A HN 0.141 nan 8.150 nan 0.000 0.443 404 I N -0.290 120.111 120.570 -0.281 0.000 2.163 404 I HA -0.178 3.992 4.170 -0.000 0.000 0.243 404 I C 1.285 177.331 176.117 -0.118 0.000 1.085 404 I CA 0.485 61.697 61.300 -0.146 0.000 1.347 404 I CB -0.505 37.454 38.000 -0.069 0.000 1.044 404 I HN 0.095 nan 8.210 nan 0.000 0.408 408 V N -1.558 118.341 119.914 -0.026 0.000 3.590 408 V HA 0.390 4.510 4.120 -0.000 0.000 0.265 408 V C 0.941 177.060 176.094 0.042 0.000 1.239 408 V CA -0.105 62.221 62.300 0.043 0.000 1.117 408 V CB -0.637 31.214 31.823 0.047 0.000 0.818 408 V HN 0.214 nan 8.190 nan 0.000 0.451 409 L N 0.000 121.244 121.223 0.035 0.000 2.949 409 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 409 L CA 0.000 54.873 54.840 0.054 0.000 0.813 409 L CB 0.000 42.101 42.059 0.070 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502