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 1ir1_1_D DATA FIRST_RESID 12 DATA SEQUENCE EFKAGVKDYK LTYYTPEYET LDTDILAAFR VSPQPGVPPE EAGAAVAAES DATA SEQUENCE STGTWTTVWT DGLTNLDRYK GRCYHIEPVA GEENQYICYV AYPLDLFEEG DATA SEQUENCE SVTNMFTSIV GNVFGFKALR ALRLEDLRIP VAYVKTFQGP PHGIQVERDK DATA SEQUENCE LNKYGRPLLG CTIKPKLGLS AKNYGRAVYE CLRGGLDFTX DDENVNSQPF DATA SEQUENCE MRWRDRFLFC AEALYKAQAE TGEIKGHYLN ATAGTCEDMM KRAVFARELG DATA SEQUENCE VPIVMHDYLT GGFTANTTLS HYCRDNGLLL HIHRAMHAVI DRQKNHGMHF DATA SEQUENCE RVLAKALRLS GGDHIHSGTV VGKLEGERDI TLGFVDLLRD DYTEKDRSRG DATA SEQUENCE IYFTQSWVST PGVLPVASGG IHVWHMPALT EIFGDDSVLQ FGGGTLGHPW DATA SEQUENCE GNAPGAVANR VALEACVQAR NEGRDLAREG NTIIREATKW SPELAAACEV DATA SEQUENCE WKEIKFEFPA MDTV 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 12 E HA 0.000 nan 4.350 nan 0.000 0.291 12 E C 0.000 176.701 176.600 0.168 0.000 1.382 12 E CA 0.000 56.459 56.400 0.099 0.000 0.976 12 E CB 0.000 29.728 29.700 0.047 0.000 0.812 13 F N 3.810 123.781 119.950 0.036 0.000 2.411 13 F HA 0.492 5.200 4.527 0.302 0.000 0.355 13 F C -0.737 175.080 175.800 0.028 0.000 1.117 13 F CA -0.318 57.714 58.000 0.054 0.000 1.139 13 F CB 0.751 39.809 39.000 0.097 0.000 1.120 13 F HN 0.308 nan 8.300 nan 0.000 0.493 14 K N 5.752 125.868 120.400 -0.474 0.000 2.507 14 K HA 0.660 5.162 4.320 0.302 0.000 0.253 14 K C -0.590 175.600 176.600 -0.683 0.000 0.969 14 K CA -0.716 55.257 56.287 -0.523 0.000 0.908 14 K CB 1.084 33.457 32.500 -0.211 0.000 1.127 14 K HN 0.801 nan 8.250 nan 0.000 0.437 15 A N 2.488 124.767 122.820 -0.903 0.000 2.483 15 A HA 0.611 5.112 4.320 0.302 0.000 0.238 15 A C 0.488 177.930 177.584 -0.237 0.000 1.070 15 A CA 0.929 52.653 52.037 -0.521 0.000 0.770 15 A CB 0.105 18.902 19.000 -0.337 0.000 1.008 15 A HN 0.929 nan 8.150 nan 0.000 0.497 16 G N -1.011 107.702 108.800 -0.144 0.000 2.340 16 G HA2 0.375 4.517 3.960 0.302 0.000 0.527 16 G HA3 0.375 4.517 3.960 0.302 0.000 0.527 16 G C -1.106 173.729 174.900 -0.108 0.000 1.381 16 G CA -0.395 44.642 45.100 -0.105 0.000 1.001 16 G HN 1.388 nan 8.290 nan 0.000 0.626 17 V N 1.153 121.026 119.914 -0.068 0.000 2.465 17 V HA 0.612 4.913 4.120 0.302 0.000 0.279 17 V C 0.449 176.507 176.094 -0.060 0.000 1.045 17 V CA -0.121 62.141 62.300 -0.064 0.000 0.938 17 V CB 1.295 33.137 31.823 0.032 0.000 0.986 17 V HN 0.743 nan 8.190 nan 0.000 0.467 18 K N 2.366 122.712 120.400 -0.091 0.000 2.395 18 K HA 0.492 4.993 4.320 0.302 0.000 0.247 18 K C -1.218 175.313 176.600 -0.114 0.000 0.973 18 K CA -1.075 55.169 56.287 -0.071 0.000 0.828 18 K CB 1.667 34.138 32.500 -0.048 0.000 1.272 18 K HN 0.520 nan 8.250 nan 0.000 0.439 19 D N 0.919 121.285 120.400 -0.056 0.000 2.399 19 D HA -0.013 4.808 4.640 0.302 0.000 0.241 19 D C 0.799 177.100 176.300 0.001 0.000 1.133 19 D CA 0.394 54.371 54.000 -0.037 0.000 0.890 19 D CB 0.414 41.230 40.800 0.027 0.000 1.201 19 D HN 0.437 nan 8.370 nan 0.000 0.432 20 Y N 1.220 121.580 120.300 0.101 0.000 2.224 20 Y HA -0.217 4.514 4.550 0.302 0.000 0.289 20 Y C 2.345 178.370 175.900 0.210 0.000 1.146 20 Y CA 1.269 59.467 58.100 0.163 0.000 1.182 20 Y CB -0.299 38.194 38.460 0.056 0.000 0.983 20 Y HN 0.467 nan 8.280 nan 0.000 0.524 21 K N 0.418 120.984 120.400 0.276 0.000 2.281 21 K HA -0.151 4.350 4.320 0.302 0.000 0.203 21 K C 1.578 178.300 176.600 0.204 0.000 1.046 21 K CA 1.608 58.036 56.287 0.235 0.000 0.938 21 K CB -0.699 31.876 32.500 0.126 0.000 0.737 21 K HN 0.356 nan 8.250 nan 0.000 0.458 22 L N 1.055 122.361 121.223 0.139 0.000 2.201 22 L HA -0.082 4.439 4.340 0.302 0.000 0.212 22 L C 1.596 178.480 176.870 0.023 0.000 1.105 22 L CA 1.244 56.129 54.840 0.075 0.000 0.775 22 L CB -0.295 41.791 42.059 0.044 0.000 0.913 22 L HN 0.341 nan 8.230 nan 0.000 0.440 23 T N -3.118 111.440 114.554 0.008 0.000 2.987 23 T HA 0.054 4.585 4.350 0.302 0.000 0.248 23 T C 0.991 175.443 174.700 -0.412 0.000 0.997 23 T CA 0.176 62.132 62.100 -0.240 0.000 1.013 23 T CB 0.148 68.773 68.868 -0.405 0.000 1.077 23 T HN 0.112 nan 8.240 nan 0.000 0.483 24 Y N 0.012 120.364 120.300 0.086 0.000 2.458 24 Y HA 0.406 5.137 4.550 0.302 0.000 0.256 24 Y C -0.011 175.954 175.900 0.107 0.000 1.159 24 Y CA -1.051 57.087 58.100 0.062 0.000 1.261 24 Y CB 0.340 38.832 38.460 0.054 0.000 1.119 24 Y HN 0.177 nan 8.280 nan 0.000 0.524 25 Y N 2.051 122.400 120.300 0.081 0.000 2.402 25 Y HA 0.429 5.160 4.550 0.302 0.000 0.332 25 Y C -0.126 175.800 175.900 0.043 0.000 0.960 25 Y CA -1.754 56.380 58.100 0.057 0.000 1.228 25 Y CB 0.699 39.186 38.460 0.044 0.000 1.120 25 Y HN 0.034 nan 8.280 nan 0.000 0.491 26 T N 5.600 119.988 114.554 -0.277 0.000 3.327 26 T HA 0.272 4.804 4.350 0.302 0.000 0.373 26 T C -2.282 172.294 174.700 -0.207 0.000 1.589 26 T CA -1.858 60.093 62.100 -0.248 0.000 1.497 26 T CB 1.117 69.924 68.868 -0.102 0.000 1.032 26 T HN 0.477 nan 8.240 nan 0.000 0.640 27 P HA -0.108 nan 4.420 nan 0.000 0.228 27 P C 1.005 178.310 177.300 0.008 0.000 1.151 27 P CA 0.947 63.937 63.100 -0.184 0.000 0.770 27 P CB 0.332 31.860 31.700 -0.286 0.000 0.786 28 E N -0.921 119.277 120.200 -0.004 0.000 2.474 28 E HA -0.075 4.456 4.350 0.302 0.000 0.195 28 E C 0.131 176.767 176.600 0.061 0.000 1.039 28 E CA -0.720 55.694 56.400 0.025 0.000 0.881 28 E CB -1.052 28.647 29.700 -0.001 0.000 0.970 28 E HN 0.231 nan 8.360 nan 0.000 0.486 29 Y N 2.590 122.871 120.300 -0.032 0.000 2.526 29 Y HA 0.116 4.847 4.550 0.302 0.000 0.330 29 Y C -0.077 175.759 175.900 -0.107 0.000 1.156 29 Y CA -0.185 57.879 58.100 -0.060 0.000 1.419 29 Y CB 0.591 39.023 38.460 -0.047 0.000 1.250 29 Y HN -0.119 nan 8.280 nan 0.000 0.540 30 E N 4.460 124.201 120.200 -0.763 0.000 2.134 30 E HA 0.169 4.700 4.350 0.302 0.000 0.278 30 E C -0.286 175.640 176.600 -1.122 0.000 0.959 30 E CA -0.658 55.334 56.400 -0.680 0.000 0.783 30 E CB 0.847 30.308 29.700 -0.399 0.000 1.095 30 E HN 0.745 nan 8.360 nan 0.000 0.399 31 T N 0.637 114.692 114.554 -0.830 0.000 2.932 31 T HA 0.162 4.693 4.350 0.302 0.000 0.312 31 T C 0.216 174.697 174.700 -0.364 0.000 1.071 31 T CA -0.652 61.089 62.100 -0.597 0.000 1.128 31 T CB 0.470 69.096 68.868 -0.403 0.000 0.984 31 T HN 0.063 nan 8.240 nan 0.000 0.549 32 L N 1.933 123.038 121.223 -0.196 0.000 2.375 32 L HA 0.367 4.889 4.340 0.302 0.000 0.268 32 L C 1.375 178.200 176.870 -0.075 0.000 1.058 32 L CA -0.208 54.565 54.840 -0.112 0.000 0.803 32 L CB 0.977 43.013 42.059 -0.037 0.000 1.212 32 L HN 0.721 nan 8.230 nan 0.000 0.451 33 D N -0.279 120.086 120.400 -0.058 0.000 2.371 33 D HA -0.079 4.742 4.640 0.302 0.000 0.221 33 D C 1.354 177.638 176.300 -0.027 0.000 0.986 33 D CA 1.165 55.139 54.000 -0.043 0.000 0.899 33 D CB 0.292 41.073 40.800 -0.032 0.000 0.902 33 D HN 0.760 nan 8.370 nan 0.000 0.530 34 T N -2.526 112.020 114.554 -0.012 0.000 3.060 34 T HA 0.027 4.558 4.350 0.302 0.000 0.249 34 T C 0.591 175.301 174.700 0.016 0.000 1.079 34 T CA -0.449 61.656 62.100 0.009 0.000 1.013 34 T CB 0.485 69.368 68.868 0.025 0.000 0.975 34 T HN -0.225 nan 8.240 nan 0.000 0.518 35 D N 1.475 121.884 120.400 0.015 0.000 2.372 35 D HA 0.317 5.138 4.640 0.302 0.000 0.243 35 D C 0.001 176.299 176.300 -0.004 0.000 1.121 35 D CA -0.329 53.700 54.000 0.049 0.000 0.898 35 D CB 0.948 41.789 40.800 0.069 0.000 1.202 35 D HN 0.324 nan 8.370 nan 0.000 0.428 36 I N 2.185 122.780 120.570 0.042 0.000 2.331 36 I HA 0.178 4.529 4.170 0.302 0.000 0.292 36 I C -0.071 176.083 176.117 0.062 0.000 0.998 36 I CA -0.532 60.728 61.300 -0.067 0.000 1.267 36 I CB 0.673 38.518 38.000 -0.259 0.000 1.386 36 I HN 0.032 nan 8.210 nan 0.000 0.476 37 L N 6.294 127.431 121.223 -0.143 0.000 2.325 37 L HA 0.787 5.308 4.340 0.302 0.000 0.278 37 L C -0.080 176.676 176.870 -0.191 0.000 1.023 37 L CA -0.608 54.136 54.840 -0.159 0.000 0.811 37 L CB 1.746 43.491 42.059 -0.523 0.000 1.249 37 L HN 0.612 nan 8.230 nan 0.000 0.431 38 A N 2.146 125.065 122.820 0.164 0.000 2.386 38 A HA 0.883 5.384 4.320 0.302 0.000 0.311 38 A C -0.780 176.927 177.584 0.204 0.000 1.068 38 A CA -0.546 51.575 52.037 0.141 0.000 0.743 38 A CB 1.803 20.885 19.000 0.138 0.000 1.258 38 A HN 0.753 nan 8.150 nan 0.000 0.429 39 A N 1.775 124.583 122.820 -0.020 0.000 2.293 39 A HA 0.725 5.226 4.320 0.302 0.000 0.312 39 A C -1.121 176.173 177.584 -0.484 0.000 1.309 39 A CA -0.283 51.529 52.037 -0.375 0.000 0.839 39 A CB -0.131 18.453 19.000 -0.694 0.000 1.155 39 A HN 0.621 nan 8.150 nan 0.000 0.501 40 F N 1.201 120.991 119.950 -0.267 0.000 2.421 40 F HA 0.505 5.214 4.527 0.302 0.000 0.337 40 F C 0.964 176.638 175.800 -0.209 0.000 1.105 40 F CA -0.380 57.498 58.000 -0.205 0.000 1.049 40 F CB 1.693 40.585 39.000 -0.180 0.000 1.139 40 F HN 0.593 nan 8.300 nan 0.000 0.479 41 R N 3.388 123.905 120.500 0.030 0.000 2.205 41 R HA 0.527 5.048 4.340 0.302 0.000 0.342 41 R C -1.654 174.667 176.300 0.035 0.000 1.058 41 R CA -0.262 55.847 56.100 0.015 0.000 0.904 41 R CB 0.390 30.700 30.300 0.016 0.000 1.089 41 R HN 0.548 nan 8.270 nan 0.000 0.471 42 V N 3.347 123.285 119.914 0.041 0.000 2.427 42 V HA 0.288 4.589 4.120 0.302 0.000 0.286 42 V C -0.147 175.992 176.094 0.075 0.000 1.034 42 V CA -0.539 61.770 62.300 0.015 0.000 0.893 42 V CB 1.845 33.648 31.823 -0.033 0.000 0.982 42 V HN 0.724 nan 8.190 nan 0.000 0.452 43 S N 6.430 122.159 115.700 0.048 0.000 2.532 43 S HA 0.449 5.100 4.470 0.302 0.000 0.256 43 S C -2.597 172.036 174.600 0.056 0.000 1.298 43 S CA -0.946 57.296 58.200 0.070 0.000 1.166 43 S CB 1.237 64.474 63.200 0.061 0.000 1.022 43 S HN 0.564 nan 8.310 nan 0.000 0.480 44 P HA 0.170 nan 4.420 nan 0.000 0.274 44 P C -0.121 177.204 177.300 0.043 0.000 1.237 44 P CA -0.544 62.578 63.100 0.036 0.000 0.793 44 P CB 0.505 32.217 31.700 0.021 0.000 0.977 45 Q N 1.352 121.171 119.800 0.033 0.000 2.368 45 Q HA 0.242 4.763 4.340 0.302 0.000 0.237 45 Q C -2.063 173.955 176.000 0.030 0.000 0.987 45 Q CA -1.584 54.238 55.803 0.032 0.000 0.896 45 Q CB -0.679 28.077 28.738 0.030 0.000 1.241 45 Q HN 0.303 nan 8.270 nan 0.000 0.485 46 P HA 0.021 nan 4.420 nan 0.000 0.265 46 P C 0.424 177.737 177.300 0.021 0.000 1.193 46 P CA 1.013 64.129 63.100 0.026 0.000 0.765 46 P CB 0.358 32.071 31.700 0.021 0.000 0.823 47 G N 1.314 110.126 108.800 0.019 0.000 2.217 47 G HA2 -0.203 3.939 3.960 0.302 0.000 0.246 47 G HA3 -0.203 3.939 3.960 0.302 0.000 0.246 47 G C -0.018 174.886 174.900 0.007 0.000 0.990 47 G CA -0.205 44.903 45.100 0.013 0.000 0.627 47 G HN 0.524 nan 8.290 nan 0.000 0.522 48 V N 2.906 122.823 119.914 0.005 0.000 2.364 48 V HA 0.455 4.757 4.120 0.302 0.000 0.272 48 V C -1.573 174.492 176.094 -0.047 0.000 1.036 48 V CA -1.480 60.814 62.300 -0.009 0.000 0.880 48 V CB 1.380 33.204 31.823 0.001 0.000 0.991 48 V HN 0.142 nan 8.190 nan 0.000 0.460 49 P HA 0.133 nan 4.420 nan 0.000 0.268 49 P C -1.805 175.353 177.300 -0.236 0.000 1.205 49 P CA -1.170 61.847 63.100 -0.138 0.000 0.771 49 P CB 0.243 31.869 31.700 -0.123 0.000 0.858 50 P HA -0.189 nan 4.420 nan 0.000 0.218 50 P C 0.854 177.873 177.300 -0.467 0.000 1.148 50 P CA 1.579 64.335 63.100 -0.574 0.000 0.822 50 P CB 0.224 31.214 31.700 -1.183 0.000 0.784 51 E N 0.056 119.961 120.200 -0.492 0.000 2.153 51 E HA -0.186 4.345 4.350 0.302 0.000 0.194 51 E C 2.092 178.451 176.600 -0.402 0.000 0.988 51 E CA 1.126 57.121 56.400 -0.674 0.000 0.811 51 E CB -0.651 28.555 29.700 -0.824 0.000 0.746 51 E HN 0.294 nan 8.360 nan 0.000 0.466 52 E N 0.342 120.399 120.200 -0.238 0.000 2.076 52 E HA 0.022 4.553 4.350 0.302 0.000 0.190 52 E C 1.846 178.378 176.600 -0.112 0.000 0.979 52 E CA 1.145 57.490 56.400 -0.092 0.000 0.807 52 E CB -0.288 29.396 29.700 -0.026 0.000 0.761 52 E HN 0.185 nan 8.360 nan 0.000 0.454 53 A N 0.285 123.004 122.820 -0.169 0.000 1.902 53 A HA -0.028 4.473 4.320 0.302 0.000 0.217 53 A C 2.454 179.873 177.584 -0.275 0.000 1.181 53 A CA 1.770 53.687 52.037 -0.200 0.000 0.623 53 A CB -1.348 17.547 19.000 -0.174 0.000 0.818 53 A HN 0.402 nan 8.150 nan 0.000 0.443 54 G N -0.611 108.035 108.800 -0.257 0.000 2.422 54 G HA2 0.026 4.167 3.960 0.302 0.000 0.218 54 G HA3 0.026 4.167 3.960 0.302 0.000 0.218 54 G C 1.719 176.492 174.900 -0.211 0.000 1.146 54 G CA 1.406 46.365 45.100 -0.234 0.000 0.769 54 G HN 0.787 nan 8.290 nan 0.000 0.547 55 A N 1.162 123.895 122.820 -0.145 0.000 1.898 55 A HA 0.310 4.811 4.320 0.302 0.000 0.216 55 A C 2.812 180.217 177.584 -0.298 0.000 1.181 55 A CA 2.125 54.136 52.037 -0.042 0.000 0.620 55 A CB -0.754 18.325 19.000 0.131 0.000 0.819 55 A HN 0.744 nan 8.150 nan 0.000 0.442 56 A N -0.493 122.029 122.820 -0.498 0.000 1.902 56 A HA -0.023 4.478 4.320 0.302 0.000 0.217 56 A C 2.233 179.212 177.584 -1.010 0.000 1.181 56 A CA 1.838 53.198 52.037 -1.129 0.000 0.623 56 A CB -0.959 17.508 19.000 -0.887 0.000 0.818 56 A HN 0.383 nan 8.150 nan 0.000 0.443 57 V N -0.175 119.292 119.914 -0.746 0.000 2.295 57 V HA -0.257 4.044 4.120 0.302 0.000 0.246 57 V C 3.067 178.842 176.094 -0.532 0.000 1.049 57 V CA 2.006 63.870 62.300 -0.726 0.000 1.024 57 V CB -1.239 30.099 31.823 -0.809 0.000 0.648 57 V HN 0.626 nan 8.190 nan 0.000 0.447 58 A N -0.143 122.431 122.820 -0.409 0.000 1.902 58 A HA -0.115 4.386 4.320 0.302 0.000 0.217 58 A C 2.412 179.798 177.584 -0.331 0.000 1.181 58 A CA 2.178 54.062 52.037 -0.256 0.000 0.623 58 A CB -0.780 18.146 19.000 -0.123 0.000 0.818 58 A HN 0.567 nan 8.150 nan 0.000 0.443 59 A N -0.384 122.025 122.820 -0.684 0.000 1.855 59 A HA -0.118 4.384 4.320 0.302 0.000 0.215 59 A C 1.792 179.053 177.584 -0.538 0.000 1.191 59 A CA 1.466 52.840 52.037 -1.105 0.000 0.613 59 A CB -0.429 17.724 19.000 -1.411 0.000 0.829 59 A HN 0.461 nan 8.150 nan 0.000 0.442 60 E N 0.511 120.414 120.200 -0.495 0.000 2.511 60 E HA -0.034 4.497 4.350 0.302 0.000 0.196 60 E C 1.090 177.625 176.600 -0.109 0.000 1.066 60 E CA 0.866 57.122 56.400 -0.241 0.000 0.871 60 E CB -0.121 29.400 29.700 -0.298 0.000 0.863 60 E HN 0.705 nan 8.360 nan 0.000 0.520 61 S N -1.302 114.350 115.700 -0.081 0.000 2.650 61 S HA 0.163 4.814 4.470 0.302 0.000 0.240 61 S C 1.254 175.943 174.600 0.148 0.000 1.007 61 S CA 0.175 58.419 58.200 0.072 0.000 0.984 61 S CB 0.396 63.700 63.200 0.174 0.000 0.910 61 S HN 0.138 nan 8.310 nan 0.000 0.509 62 S N 1.344 117.093 115.700 0.082 0.000 4.403 62 S HA 0.163 4.814 4.470 0.302 0.000 0.183 62 S C 1.330 175.956 174.600 0.043 0.000 1.070 62 S CA 0.613 58.876 58.200 0.106 0.000 1.145 62 S CB -0.185 63.149 63.200 0.222 0.000 1.585 62 S HN 0.554 nan 8.310 nan 0.000 0.634 63 T N -1.107 113.486 114.554 0.065 0.000 2.993 63 T HA 0.495 5.026 4.350 0.302 0.000 0.260 63 T C 0.839 175.589 174.700 0.083 0.000 0.939 63 T CA 0.449 62.597 62.100 0.080 0.000 0.886 63 T CB 0.186 69.150 68.868 0.160 0.000 1.209 63 T HN 0.736 nan 8.240 nan 0.000 0.518 64 G N 0.283 109.104 108.800 0.034 0.000 2.521 64 G HA2 0.585 4.726 3.960 0.302 0.000 0.323 64 G HA3 0.585 4.726 3.960 0.302 0.000 0.323 64 G C -0.892 174.066 174.900 0.098 0.000 1.211 64 G CA -0.252 44.895 45.100 0.078 0.000 0.979 64 G HN 0.308 nan 8.290 nan 0.000 0.490 65 T N -1.599 113.049 114.554 0.157 0.000 2.693 65 T HA 0.396 4.927 4.350 0.302 0.000 0.278 65 T C 0.608 175.473 174.700 0.275 0.000 0.994 65 T CA -0.358 61.882 62.100 0.233 0.000 1.033 65 T CB 0.803 69.751 68.868 0.134 0.000 1.342 65 T HN 0.698 nan 8.240 nan 0.000 0.538 66 W N 0.869 122.278 121.300 0.182 0.000 2.699 66 W HA 0.274 5.115 4.660 0.302 0.000 0.249 66 W C 0.291 176.798 176.519 -0.020 0.000 1.280 66 W CA 0.556 57.958 57.345 0.095 0.000 1.345 66 W CB -1.162 28.361 29.460 0.105 0.000 1.128 66 W HN 0.543 nan 8.180 nan 0.000 0.642 67 T N 0.741 114.843 114.554 -0.752 0.000 2.883 67 T HA 0.338 4.870 4.350 0.302 0.000 0.296 67 T C -0.469 174.018 174.700 -0.355 0.000 1.117 67 T CA -0.347 61.341 62.100 -0.686 0.000 1.006 67 T CB 1.767 69.873 68.868 -1.270 0.000 1.191 67 T HN -0.218 nan 8.240 nan 0.000 0.508 68 T N 2.409 116.856 114.554 -0.178 0.000 2.870 68 T HA 0.468 4.999 4.350 0.302 0.000 0.300 68 T C 0.105 174.879 174.700 0.123 0.000 0.989 68 T CA -0.371 61.734 62.100 0.008 0.000 1.139 68 T CB 0.201 69.118 68.868 0.081 0.000 0.920 68 T HN 0.675 nan 8.240 nan 0.000 0.537 69 V N 2.937 122.888 119.914 0.061 0.000 2.555 69 V HA 0.473 4.774 4.120 0.302 0.000 0.302 69 V C 1.131 177.066 176.094 -0.266 0.000 1.038 69 V CA -1.205 61.037 62.300 -0.096 0.000 0.887 69 V CB 1.382 33.063 31.823 -0.236 0.000 0.991 69 V HN 1.050 nan 8.190 nan 0.000 0.434 70 W N 2.790 123.610 121.300 -0.800 0.000 2.392 70 W HA -0.121 4.721 4.660 0.302 0.000 0.279 70 W C 1.465 177.744 176.519 -0.399 0.000 1.225 70 W CA 1.616 58.353 57.345 -1.013 0.000 1.233 70 W CB -1.686 26.874 29.460 -1.499 0.000 1.122 70 W HN 0.770 nan 8.180 nan 0.000 0.561 71 T N -1.063 112.792 114.554 -1.165 0.000 2.977 71 T HA -0.225 4.306 4.350 0.302 0.000 0.271 71 T C 1.091 175.553 174.700 -0.396 0.000 1.105 71 T CA 1.649 63.154 62.100 -0.992 0.000 1.116 71 T CB -0.608 67.615 68.868 -1.075 0.000 0.878 71 T HN -0.069 nan 8.240 nan 0.000 0.509 72 D N 1.947 122.194 120.400 -0.254 0.000 2.182 72 D HA -0.005 4.816 4.640 0.302 0.000 0.201 72 D C 2.307 178.582 176.300 -0.042 0.000 0.986 72 D CA 1.270 55.208 54.000 -0.103 0.000 0.847 72 D CB -0.865 39.913 40.800 -0.036 0.000 0.942 72 D HN 0.609 nan 8.370 nan 0.000 0.467 73 G N -0.055 108.736 108.800 -0.016 0.000 2.598 73 G HA2 -0.114 4.027 3.960 0.302 0.000 0.215 73 G HA3 -0.114 4.027 3.960 0.302 0.000 0.215 73 G C 1.533 176.459 174.900 0.042 0.000 1.131 73 G CA 0.007 45.132 45.100 0.042 0.000 0.785 73 G HN 0.275 nan 8.290 nan 0.000 0.539 74 L N -0.355 120.872 121.223 0.008 0.000 2.418 74 L HA 0.174 4.696 4.340 0.302 0.000 0.218 74 L C 1.621 178.500 176.870 0.015 0.000 1.125 74 L CA 0.423 55.274 54.840 0.018 0.000 0.835 74 L CB 0.100 42.149 42.059 -0.017 0.000 0.953 74 L HN 0.199 nan 8.230 nan 0.000 0.454 75 T N -1.529 113.034 114.554 0.015 0.000 2.773 75 T HA 0.257 4.788 4.350 0.302 0.000 0.278 75 T C -0.802 173.951 174.700 0.088 0.000 1.011 75 T CA -0.627 61.512 62.100 0.065 0.000 1.014 75 T CB 1.629 70.531 68.868 0.057 0.000 1.293 75 T HN -0.085 nan 8.240 nan 0.000 0.554 76 N N 2.291 121.080 118.700 0.148 0.000 2.707 76 N HA 0.228 5.150 4.740 0.302 0.000 0.235 76 N C 0.639 176.206 175.510 0.094 0.000 1.028 76 N CA -0.438 52.655 53.050 0.072 0.000 0.906 76 N CB 0.303 38.792 38.487 0.003 0.000 1.131 76 N HN 0.459 nan 8.380 nan 0.000 0.509 77 L N 2.174 123.444 121.223 0.079 0.000 2.187 77 L HA -0.091 4.430 4.340 0.302 0.000 0.213 77 L C 1.327 178.195 176.870 -0.004 0.000 1.100 77 L CA 1.564 56.449 54.840 0.076 0.000 0.765 77 L CB -0.165 41.906 42.059 0.020 0.000 0.904 77 L HN 0.529 nan 8.230 nan 0.000 0.437 78 D N -1.010 119.357 120.400 -0.056 0.000 2.218 78 D HA -0.146 4.675 4.640 0.302 0.000 0.204 78 D C 2.186 178.403 176.300 -0.138 0.000 0.976 78 D CA 0.753 54.695 54.000 -0.097 0.000 0.853 78 D CB 0.083 40.835 40.800 -0.080 0.000 0.939 78 D HN 0.413 nan 8.370 nan 0.000 0.481 79 R N -0.417 119.946 120.500 -0.229 0.000 2.093 79 R HA -0.056 4.466 4.340 0.302 0.000 0.224 79 R C 1.792 177.839 176.300 -0.421 0.000 1.101 79 R CA 0.715 56.567 56.100 -0.414 0.000 0.979 79 R CB -0.104 29.721 30.300 -0.792 0.000 0.877 79 R HN 0.318 nan 8.270 nan 0.000 0.441 80 Y N 1.441 121.727 120.300 -0.023 0.000 2.503 80 Y HA 0.076 4.807 4.550 0.302 0.000 0.277 80 Y C 0.766 176.669 175.900 0.005 0.000 1.102 80 Y CA -0.269 57.822 58.100 -0.016 0.000 1.261 80 Y CB -0.089 38.358 38.460 -0.022 0.000 1.096 80 Y HN -0.075 nan 8.280 nan 0.000 0.546 81 K N 1.328 121.809 120.400 0.134 0.000 2.436 81 K HA 0.304 4.805 4.320 0.302 0.000 0.275 81 K C 0.530 177.185 176.600 0.092 0.000 0.999 81 K CA 0.152 56.533 56.287 0.157 0.000 0.980 81 K CB 0.568 33.103 32.500 0.059 0.000 0.919 81 K HN 0.139 nan 8.250 nan 0.000 0.484 82 G N 2.287 111.179 108.800 0.153 0.000 2.476 82 G HA2 0.344 4.485 3.960 0.302 0.000 0.269 82 G HA3 0.344 4.485 3.960 0.302 0.000 0.269 82 G C -0.798 174.091 174.900 -0.017 0.000 1.195 82 G CA -1.066 44.003 45.100 -0.051 0.000 0.843 82 G HN 0.810 nan 8.290 nan 0.000 0.545 83 R N 0.016 120.432 120.500 -0.140 0.000 2.604 83 R HA 0.439 4.960 4.340 0.302 0.000 0.281 83 R C -1.449 174.893 176.300 0.070 0.000 1.020 83 R CA -0.783 55.295 56.100 -0.037 0.000 0.899 83 R CB 0.812 30.993 30.300 -0.198 0.000 1.205 83 R HN 0.470 nan 8.270 nan 0.000 0.450 84 C N 5.288 124.665 119.300 0.129 0.000 2.416 84 C HA 0.305 4.946 4.460 0.302 0.000 0.355 84 C C 0.754 175.888 174.990 0.240 0.000 1.211 84 C CA -0.534 58.586 59.018 0.170 0.000 1.699 84 C CB -1.605 26.242 27.740 0.179 0.000 2.310 84 C HN 0.932 nan 8.230 nan 0.000 0.539 85 Y N 2.714 123.144 120.300 0.216 0.000 2.449 85 Y HA 0.466 5.197 4.550 0.302 0.000 0.254 85 Y C 0.480 176.560 175.900 0.300 0.000 1.140 85 Y CA -0.163 58.058 58.100 0.201 0.000 1.272 85 Y CB -0.528 38.092 38.460 0.266 0.000 1.114 85 Y HN 0.764 nan 8.280 nan 0.000 0.525 86 H N 0.090 119.075 119.070 -0.142 0.000 3.112 86 H HA 0.634 5.371 4.556 0.302 0.000 0.347 86 H C -1.997 173.433 175.328 0.170 0.000 1.188 86 H CA -1.518 54.533 56.048 0.005 0.000 1.240 86 H CB 1.355 31.008 29.762 -0.182 0.000 1.920 86 H HN 0.141 nan 8.280 nan 0.000 0.535 87 I N 3.942 124.299 120.570 -0.356 0.000 2.569 87 I HA 0.343 4.694 4.170 0.302 0.000 0.290 87 I C -1.048 174.907 176.117 -0.270 0.000 1.088 87 I CA -0.643 60.552 61.300 -0.175 0.000 1.047 87 I CB 2.209 40.144 38.000 -0.108 0.000 1.237 87 I HN 0.654 nan 8.210 nan 0.000 0.421 88 E N 6.464 126.661 120.200 -0.004 0.000 2.308 88 E HA 0.601 5.132 4.350 0.302 0.000 0.275 88 E C -2.990 173.715 176.600 0.176 0.000 0.890 88 E CA -2.175 54.271 56.400 0.077 0.000 0.754 88 E CB 2.554 32.335 29.700 0.135 0.000 1.207 88 E HN 0.109 nan 8.360 nan 0.000 0.426 89 P HA 0.065 nan 4.420 nan 0.000 0.272 89 P C -0.781 176.480 177.300 -0.065 0.000 1.230 89 P CA -0.468 62.605 63.100 -0.046 0.000 0.788 89 P CB 0.729 32.400 31.700 -0.049 0.000 0.949 90 V N 1.713 121.528 119.914 -0.164 0.000 2.394 90 V HA 0.476 4.777 4.120 0.302 0.000 0.282 90 V C 0.501 176.547 176.094 -0.081 0.000 1.031 90 V CA -0.781 61.471 62.300 -0.080 0.000 0.881 90 V CB 0.869 32.646 31.823 -0.077 0.000 0.982 90 V HN 0.665 nan 8.190 nan 0.000 0.451 91 A N 3.809 126.607 122.820 -0.037 0.000 2.477 91 A HA 0.536 5.037 4.320 0.302 0.000 0.246 91 A C 1.499 179.065 177.584 -0.029 0.000 1.078 91 A CA 0.547 52.565 52.037 -0.030 0.000 0.770 91 A CB -0.240 18.753 19.000 -0.013 0.000 1.011 91 A HN 2.161 nan 8.150 nan 0.000 0.494 92 G N 0.672 109.454 108.800 -0.029 0.000 2.175 92 G HA2 -0.220 3.921 3.960 0.302 0.000 0.265 92 G HA3 -0.220 3.921 3.960 0.302 0.000 0.265 92 G C 0.046 174.929 174.900 -0.028 0.000 0.979 92 G CA 1.007 46.094 45.100 -0.022 0.000 0.663 92 G HN 1.112 nan 8.290 nan 0.000 0.533 93 E N 0.426 120.596 120.200 -0.050 0.000 2.218 93 E HA 0.578 5.109 4.350 0.302 0.000 0.263 93 E C -0.234 176.312 176.600 -0.090 0.000 0.879 93 E CA -0.680 55.687 56.400 -0.056 0.000 0.762 93 E CB 0.825 30.493 29.700 -0.053 0.000 1.166 93 E HN 0.362 nan 8.360 nan 0.000 0.415 94 E N 2.831 122.993 120.200 -0.063 0.000 2.338 94 E HA 0.160 4.691 4.350 0.302 0.000 0.272 94 E C -0.281 176.271 176.600 -0.080 0.000 1.029 94 E CA 0.058 56.418 56.400 -0.067 0.000 0.872 94 E CB 0.378 30.061 29.700 -0.028 0.000 1.015 94 E HN 0.625 nan 8.360 nan 0.000 0.417 95 N N 2.401 121.036 118.700 -0.109 0.000 2.725 95 N HA -0.286 4.635 4.740 0.302 0.000 0.251 95 N C -1.092 174.363 175.510 -0.092 0.000 1.031 95 N CA 0.244 53.267 53.050 -0.045 0.000 0.720 95 N CB -0.244 38.280 38.487 0.061 0.000 0.930 95 N HN 0.519 nan 8.380 nan 0.000 0.543 96 Q N 0.953 120.519 119.800 -0.391 0.000 2.331 96 Q HA 0.499 5.020 4.340 0.302 0.000 0.272 96 Q C -1.720 173.960 176.000 -0.533 0.000 1.062 96 Q CA -0.653 55.004 55.803 -0.243 0.000 0.806 96 Q CB 1.282 29.946 28.738 -0.124 0.000 1.312 96 Q HN 0.288 nan 8.270 nan 0.000 0.431 97 Y N 1.353 121.643 120.300 -0.017 0.000 2.581 97 Y HA 0.504 5.236 4.550 0.302 0.000 0.345 97 Y C -0.434 175.449 175.900 -0.028 0.000 1.036 97 Y CA -1.112 56.975 58.100 -0.021 0.000 1.042 97 Y CB 1.393 39.827 38.460 -0.043 0.000 1.289 97 Y HN 0.440 nan 8.280 nan 0.000 0.471 98 I N 2.148 122.802 120.570 0.141 0.000 2.330 98 I HA 0.277 4.628 4.170 0.302 0.000 0.289 98 I C -0.730 175.376 176.117 -0.019 0.000 1.001 98 I CA -0.669 60.636 61.300 0.009 0.000 1.193 98 I CB 0.525 38.537 38.000 0.020 0.000 1.345 98 I HN 0.578 nan 8.210 nan 0.000 0.461 99 C N 7.097 126.352 119.300 -0.075 0.000 2.322 99 C HA 0.492 5.133 4.460 0.302 0.000 0.324 99 C C -0.099 174.838 174.990 -0.087 0.000 1.284 99 C CA -0.713 58.288 59.018 -0.027 0.000 1.606 99 C CB 0.220 27.944 27.740 -0.026 0.000 2.251 99 C HN 0.501 nan 8.230 nan 0.000 0.502 100 Y N 1.886 122.158 120.300 -0.046 0.000 2.320 100 Y HA 0.565 5.296 4.550 0.302 0.000 0.334 100 Y C 0.331 176.142 175.900 -0.148 0.000 1.055 100 Y CA -0.349 57.688 58.100 -0.105 0.000 1.143 100 Y CB 0.857 39.064 38.460 -0.422 0.000 1.193 100 Y HN 0.394 nan 8.280 nan 0.000 0.477 101 V N 2.849 122.926 119.914 0.272 0.000 2.656 101 V HA 0.807 5.108 4.120 0.302 0.000 0.307 101 V C -0.423 175.811 176.094 0.233 0.000 1.051 101 V CA -1.110 61.307 62.300 0.195 0.000 0.893 101 V CB 1.675 33.541 31.823 0.071 0.000 0.999 101 V HN 0.855 nan 8.190 nan 0.000 0.426 102 A N 4.086 126.994 122.820 0.146 0.000 2.318 102 A HA 0.868 5.369 4.320 0.302 0.000 0.324 102 A C -1.493 175.995 177.584 -0.160 0.000 1.170 102 A CA -0.384 51.703 52.037 0.083 0.000 0.810 102 A CB 0.659 19.745 19.000 0.143 0.000 1.198 102 A HN 0.739 nan 8.150 nan 0.000 0.484 103 Y N 2.289 122.696 120.300 0.179 0.000 2.341 103 Y HA 0.435 5.166 4.550 0.302 0.000 0.338 103 Y C -2.354 173.667 175.900 0.203 0.000 0.965 103 Y CA -2.333 55.893 58.100 0.210 0.000 1.108 103 Y CB 1.719 40.416 38.460 0.394 0.000 1.180 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.043 nan 4.420 nan 0.000 0.269 104 P C 0.728 178.166 177.300 0.229 0.000 1.209 104 P CA -0.177 63.029 63.100 0.177 0.000 0.776 104 P CB 0.920 32.675 31.700 0.092 0.000 0.876 105 L N 2.838 124.161 121.223 0.166 0.000 2.127 105 L HA -0.193 4.328 4.340 0.302 0.000 0.211 105 L C 1.234 178.197 176.870 0.155 0.000 1.089 105 L CA 2.073 57.012 54.840 0.164 0.000 0.757 105 L CB -1.104 41.013 42.059 0.096 0.000 0.899 105 L HN 0.267 nan 8.230 nan 0.000 0.434 106 D N -0.655 119.815 120.400 0.117 0.000 2.309 106 D HA -0.129 4.693 4.640 0.302 0.000 0.212 106 D C 2.096 178.399 176.300 0.005 0.000 0.968 106 D CA 0.940 55.007 54.000 0.112 0.000 0.882 106 D CB -0.109 40.828 40.800 0.228 0.000 0.918 106 D HN 0.408 nan 8.370 nan 0.000 0.503 107 L N -0.808 120.317 121.223 -0.162 0.000 2.552 107 L HA 0.063 4.584 4.340 0.302 0.000 0.227 107 L C 0.053 176.443 176.870 -0.800 0.000 1.146 107 L CA 0.244 54.772 54.840 -0.519 0.000 0.858 107 L CB -0.152 41.461 42.059 -0.743 0.000 0.969 107 L HN -0.122 nan 8.230 nan 0.000 0.451 108 F N -0.450 119.434 119.950 -0.110 0.000 2.480 108 F HA 0.334 5.042 4.527 0.302 0.000 0.329 108 F C 0.590 176.390 175.800 0.001 0.000 1.091 108 F CA -1.149 56.772 58.000 -0.131 0.000 0.972 108 F CB 1.117 39.851 39.000 -0.443 0.000 1.150 108 F HN -0.192 nan 8.300 nan 0.000 0.467 109 E N 1.781 122.114 120.200 0.222 0.000 2.316 109 E HA 0.135 4.666 4.350 0.302 0.000 0.275 109 E C -0.779 175.957 176.600 0.226 0.000 1.029 109 E CA -0.577 55.919 56.400 0.160 0.000 0.871 109 E CB 0.604 30.356 29.700 0.086 0.000 1.022 109 E HN 0.519 nan 8.360 nan 0.000 0.418 110 E N 2.323 122.602 120.200 0.131 0.000 2.465 110 E HA 0.150 4.681 4.350 0.302 0.000 0.260 110 E C 0.861 177.253 176.600 -0.346 0.000 0.980 110 E CA 1.259 57.644 56.400 -0.025 0.000 0.927 110 E CB 0.515 30.192 29.700 -0.040 0.000 0.934 110 E HN 0.799 nan 8.360 nan 0.000 0.459 111 G N 2.601 110.794 108.800 -1.012 0.000 2.168 111 G HA2 -0.332 3.809 3.960 0.302 0.000 0.257 111 G HA3 -0.332 3.809 3.960 0.302 0.000 0.257 111 G C 0.288 174.744 174.900 -0.739 0.000 0.997 111 G CA 0.550 44.783 45.100 -1.444 0.000 0.708 111 G HN 0.534 nan 8.290 nan 0.000 0.520 112 S N -0.613 114.895 115.700 -0.320 0.000 2.622 112 S HA 0.525 5.176 4.470 0.302 0.000 0.283 112 S C 1.465 176.169 174.600 0.173 0.000 1.197 112 S CA 0.106 58.326 58.200 0.034 0.000 1.146 112 S CB 1.257 64.484 63.200 0.045 0.000 1.007 112 S HN 0.538 nan 8.310 nan 0.000 0.478 113 V N 4.700 124.711 119.914 0.162 0.000 2.407 113 V HA -0.129 4.172 4.120 0.302 0.000 0.248 113 V C 2.574 178.486 176.094 -0.302 0.000 1.055 113 V CA 2.462 64.628 62.300 -0.224 0.000 1.049 113 V CB -0.946 30.574 31.823 -0.505 0.000 0.662 113 V HN 0.834 nan 8.190 nan 0.000 0.455 114 T N 0.050 114.564 114.554 -0.066 0.000 2.665 114 T HA -0.253 4.278 4.350 0.302 0.000 0.268 114 T C 1.926 176.671 174.700 0.075 0.000 1.035 114 T CA 1.955 64.091 62.100 0.061 0.000 1.151 114 T CB -0.463 68.484 68.868 0.131 0.000 0.862 114 T HN 0.576 nan 8.240 nan 0.000 0.438 115 N N 0.576 119.325 118.700 0.081 0.000 2.142 115 N HA -0.068 4.853 4.740 0.302 0.000 0.186 115 N C 2.117 177.719 175.510 0.152 0.000 1.023 115 N CA 1.101 54.219 53.050 0.113 0.000 0.852 115 N CB -0.227 38.338 38.487 0.131 0.000 0.998 115 N HN 0.398 nan 8.380 nan 0.000 0.424 116 M N -0.231 119.443 119.600 0.123 0.000 2.080 116 M HA -0.182 4.479 4.480 0.302 0.000 0.260 116 M C 1.365 177.686 176.300 0.037 0.000 1.068 116 M CA 1.629 56.970 55.300 0.069 0.000 1.109 116 M CB -0.138 32.329 32.600 -0.221 0.000 1.342 116 M HN 0.032 nan 8.290 nan 0.000 0.405 117 F N 0.261 120.204 119.950 -0.012 0.000 2.206 117 F HA -0.080 4.628 4.527 0.302 0.000 0.298 117 F C 2.535 178.349 175.800 0.022 0.000 1.090 117 F CA 1.438 59.421 58.000 -0.028 0.000 1.323 117 F CB -1.512 37.436 39.000 -0.086 0.000 1.028 117 F HN 0.167 nan 8.300 nan 0.000 0.492 118 T N -0.857 113.829 114.554 0.221 0.000 2.759 118 T HA -0.183 4.348 4.350 0.302 0.000 0.269 118 T C 2.334 177.106 174.700 0.120 0.000 1.042 118 T CA 1.805 63.991 62.100 0.144 0.000 1.140 118 T CB -0.346 68.585 68.868 0.105 0.000 0.864 118 T HN 0.160 nan 8.240 nan 0.000 0.455 119 S N 0.683 116.447 115.700 0.107 0.000 2.325 119 S HA 0.124 4.775 4.470 0.302 0.000 0.214 119 S C 2.076 176.729 174.600 0.087 0.000 1.031 119 S CA 0.656 58.886 58.200 0.051 0.000 0.972 119 S CB -0.306 62.866 63.200 -0.047 0.000 0.908 119 S HN 0.400 nan 8.310 nan 0.000 0.453 120 I N 1.742 122.366 120.570 0.091 0.000 2.264 120 I HA -0.106 4.246 4.170 0.302 0.000 0.248 120 I C 1.619 177.976 176.117 0.401 0.000 1.111 120 I CA 1.175 62.583 61.300 0.181 0.000 1.382 120 I CB -0.255 37.811 38.000 0.110 0.000 1.060 120 I HN 0.260 nan 8.210 nan 0.000 0.418 121 V N -2.678 117.437 119.914 0.335 0.000 3.070 121 V HA 0.480 4.781 4.120 0.302 0.000 0.345 121 V C 1.500 177.722 176.094 0.212 0.000 1.403 121 V CA 0.200 62.724 62.300 0.373 0.000 1.155 121 V CB -0.353 31.497 31.823 0.045 0.000 1.140 121 V HN 0.229 nan 8.190 nan 0.000 0.505 122 G N 1.994 110.913 108.800 0.198 0.000 2.484 122 G HA2 -0.158 3.984 3.960 0.302 0.000 0.215 122 G HA3 -0.158 3.984 3.960 0.302 0.000 0.215 122 G C 1.142 176.140 174.900 0.164 0.000 1.219 122 G CA 1.375 46.561 45.100 0.144 0.000 0.791 122 G HN 0.566 nan 8.290 nan 0.000 0.550 123 N N -0.286 118.533 118.700 0.198 0.000 2.239 123 N HA 0.006 4.927 4.740 0.302 0.000 0.208 123 N C 2.169 177.868 175.510 0.315 0.000 1.200 123 N CA 0.825 54.012 53.050 0.228 0.000 0.895 123 N CB 0.535 39.148 38.487 0.210 0.000 1.085 123 N HN 0.307 nan 8.380 nan 0.000 0.500 124 V N -1.319 118.734 119.914 0.231 0.000 2.720 124 V HA -0.042 4.259 4.120 0.302 0.000 0.256 124 V C 1.589 177.720 176.094 0.062 0.000 1.082 124 V CA 1.224 63.545 62.300 0.035 0.000 1.101 124 V CB -1.184 30.449 31.823 -0.317 0.000 0.693 124 V HN -0.083 nan 8.190 nan 0.000 0.479 125 F N 2.369 122.372 119.950 0.088 0.000 2.604 125 F HA 0.327 5.035 4.527 0.302 0.000 0.298 125 F C 2.301 178.219 175.800 0.197 0.000 1.131 125 F CA 0.994 59.065 58.000 0.118 0.000 1.457 125 F CB -0.614 38.437 39.000 0.085 0.000 1.095 125 F HN 0.337 nan 8.300 nan 0.000 0.574 126 G N -1.592 107.413 108.800 0.341 0.000 3.126 126 G HA2 0.022 4.163 3.960 0.302 0.000 0.224 126 G HA3 0.022 4.163 3.960 0.302 0.000 0.224 126 G C 0.210 175.207 174.900 0.163 0.000 1.142 126 G CA -0.217 45.014 45.100 0.219 0.000 0.759 126 G HN 0.007 nan 8.290 nan 0.000 0.550 127 F N 1.531 121.489 119.950 0.012 0.000 2.608 127 F HA 0.153 4.862 4.527 0.302 0.000 0.380 127 F C 1.777 177.571 175.800 -0.010 0.000 1.083 127 F CA 0.256 58.245 58.000 -0.017 0.000 1.266 127 F CB 1.014 39.976 39.000 -0.063 0.000 1.076 127 F HN -0.037 nan 8.300 nan 0.000 0.574 128 K N 2.732 123.132 120.400 -0.001 0.000 2.147 128 K HA -0.132 4.369 4.320 0.302 0.000 0.205 128 K C 1.958 178.596 176.600 0.064 0.000 1.049 128 K CA 1.177 57.469 56.287 0.009 0.000 0.936 128 K CB -0.148 32.323 32.500 -0.049 0.000 0.722 128 K HN 0.705 nan 8.250 nan 0.000 0.446 129 A N 1.003 123.901 122.820 0.130 0.000 2.216 129 A HA 0.011 4.512 4.320 0.302 0.000 0.214 129 A C 0.753 178.382 177.584 0.075 0.000 1.160 129 A CA 0.697 52.803 52.037 0.115 0.000 0.725 129 A CB -0.249 18.853 19.000 0.170 0.000 0.784 129 A HN 0.105 nan 8.150 nan 0.000 0.472 130 L N -1.706 119.567 121.223 0.083 0.000 2.342 130 L HA 0.447 4.968 4.340 0.302 0.000 0.271 130 L C 1.180 178.085 176.870 0.058 0.000 1.008 130 L CA -0.772 54.096 54.840 0.046 0.000 0.818 130 L CB 1.675 43.743 42.059 0.015 0.000 1.296 130 L HN 0.126 nan 8.230 nan 0.000 0.427 131 R N 1.278 121.809 120.500 0.053 0.000 2.156 131 R HA 0.406 4.927 4.340 0.302 0.000 0.207 131 R C 0.050 176.401 176.300 0.084 0.000 1.040 131 R CA 0.505 56.636 56.100 0.052 0.000 1.013 131 R CB 0.595 30.920 30.300 0.042 0.000 0.931 131 R HN 0.728 nan 8.270 nan 0.000 0.465 132 A N 0.637 123.531 122.820 0.124 0.000 2.608 132 A HA 0.597 5.098 4.320 0.302 0.000 0.292 132 A C -2.087 175.592 177.584 0.157 0.000 1.066 132 A CA -0.628 51.571 52.037 0.270 0.000 0.676 132 A CB 1.659 20.799 19.000 0.232 0.000 1.277 132 A HN 0.046 nan 8.150 nan 0.000 0.413 133 L N 0.466 121.765 121.223 0.128 0.000 2.513 133 L HA 0.820 5.341 4.340 0.302 0.000 0.261 133 L C -0.743 176.037 176.870 -0.150 0.000 0.945 133 L CA -0.100 54.627 54.840 -0.189 0.000 0.848 133 L CB 1.973 43.670 42.059 -0.605 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.957 124.465 120.500 0.013 0.000 2.564 134 R HA 0.580 5.101 4.340 0.302 0.000 0.284 134 R C -1.924 174.464 176.300 0.146 0.000 1.031 134 R CA -0.883 55.308 56.100 0.150 0.000 0.904 134 R CB 1.789 32.149 30.300 0.100 0.000 1.199 134 R HN 0.674 nan 8.270 nan 0.000 0.443 135 L N 4.572 125.906 121.223 0.185 0.000 2.283 135 L HA 0.257 4.778 4.340 0.302 0.000 0.287 135 L C 0.744 177.548 176.870 -0.109 0.000 1.073 135 L CA 0.494 55.270 54.840 -0.108 0.000 0.822 135 L CB 1.127 43.151 42.059 -0.059 0.000 1.186 135 L HN 0.713 nan 8.230 nan 0.000 0.436 136 E N 2.261 122.305 120.200 -0.259 0.000 2.102 136 E HA 0.072 4.603 4.350 0.302 0.000 0.190 136 E C -0.187 176.276 176.600 -0.228 0.000 0.971 136 E CA 0.581 56.812 56.400 -0.282 0.000 0.821 136 E CB 0.384 29.680 29.700 -0.674 0.000 0.777 136 E HN 0.712 nan 8.360 nan 0.000 0.460 137 D N -1.266 118.993 120.400 -0.235 0.000 2.639 137 D HA 0.425 5.246 4.640 0.302 0.000 0.271 137 D C -1.561 174.834 176.300 0.158 0.000 1.254 137 D CA -0.505 53.510 54.000 0.026 0.000 0.810 137 D CB 1.374 42.242 40.800 0.113 0.000 1.351 137 D HN -0.149 nan 8.370 nan 0.000 0.427 138 L N 1.189 122.520 121.223 0.179 0.000 2.455 138 L HA 0.490 5.011 4.340 0.302 0.000 0.264 138 L C -0.471 176.333 176.870 -0.109 0.000 0.968 138 L CA -0.912 53.928 54.840 -0.001 0.000 0.827 138 L CB 2.247 44.268 42.059 -0.063 0.000 1.317 138 L HN 0.205 nan 8.230 nan 0.000 0.407 139 R N 4.168 124.393 120.500 -0.458 0.000 2.215 139 R HA 0.478 4.999 4.340 0.302 0.000 0.337 139 R C -1.022 175.087 176.300 -0.319 0.000 1.010 139 R CA -0.461 55.383 56.100 -0.426 0.000 0.871 139 R CB 0.306 30.178 30.300 -0.713 0.000 1.134 139 R HN 0.570 nan 8.270 nan 0.000 0.477 140 I N 7.796 128.190 120.570 -0.295 0.000 2.312 140 I HA 0.226 4.577 4.170 0.302 0.000 0.291 140 I C -1.651 174.329 176.117 -0.229 0.000 1.031 140 I CA -1.966 59.177 61.300 -0.262 0.000 1.293 140 I CB 1.511 39.326 38.000 -0.308 0.000 1.403 140 I HN 0.291 nan 8.210 nan 0.000 0.484 141 P HA -0.034 nan 4.420 nan 0.000 0.268 141 P C 1.094 178.370 177.300 -0.040 0.000 1.205 141 P CA -0.143 62.910 63.100 -0.078 0.000 0.771 141 P CB 1.283 32.961 31.700 -0.036 0.000 0.858 142 V N 0.794 120.681 119.914 -0.044 0.000 2.469 142 V HA -0.238 4.063 4.120 0.302 0.000 0.251 142 V C 2.307 178.425 176.094 0.040 0.000 1.064 142 V CA 2.049 64.340 62.300 -0.016 0.000 1.066 142 V CB -2.190 29.631 31.823 -0.003 0.000 0.667 142 V HN 0.541 nan 8.190 nan 0.000 0.461 143 A N -0.870 121.985 122.820 0.059 0.000 1.972 143 A HA -0.147 4.354 4.320 0.302 0.000 0.219 143 A C 2.152 179.837 177.584 0.168 0.000 1.169 143 A CA 1.941 54.033 52.037 0.092 0.000 0.635 143 A CB -0.763 18.286 19.000 0.082 0.000 0.810 143 A HN 0.715 nan 8.150 nan 0.000 0.446 144 Y N -0.036 120.279 120.300 0.026 0.000 2.347 144 Y HA 0.010 4.741 4.550 0.302 0.000 0.294 144 Y C 2.310 178.325 175.900 0.192 0.000 1.117 144 Y CA 0.882 59.031 58.100 0.081 0.000 1.184 144 Y CB -0.223 38.248 38.460 0.018 0.000 1.047 144 Y HN 0.049 nan 8.280 nan 0.000 0.546 145 V N 0.736 120.704 119.914 0.090 0.000 2.392 145 V HA -0.308 3.993 4.120 0.302 0.000 0.249 145 V C 2.227 178.407 176.094 0.143 0.000 1.059 145 V CA 2.004 64.332 62.300 0.046 0.000 1.051 145 V CB -0.510 31.305 31.823 -0.012 0.000 0.658 145 V HN 0.230 nan 8.190 nan 0.000 0.455 146 K N 0.584 121.043 120.400 0.098 0.000 2.442 146 K HA -0.085 4.416 4.320 0.302 0.000 0.198 146 K C 2.020 178.643 176.600 0.039 0.000 1.042 146 K CA 1.516 57.849 56.287 0.075 0.000 0.958 146 K CB -0.724 31.808 32.500 0.054 0.000 0.766 146 K HN 0.760 nan 8.250 nan 0.000 0.474 147 T N -2.147 112.403 114.554 -0.006 0.000 3.129 147 T HA 0.118 4.649 4.350 0.302 0.000 0.251 147 T C 0.514 175.009 174.700 -0.343 0.000 1.117 147 T CA -0.173 61.813 62.100 -0.189 0.000 1.034 147 T CB -0.206 68.472 68.868 -0.317 0.000 0.968 147 T HN -0.172 nan 8.240 nan 0.000 0.526 148 F N 1.014 120.885 119.950 -0.132 0.000 2.483 148 F HA 0.508 5.216 4.527 0.302 0.000 0.329 148 F C 1.573 177.358 175.800 -0.024 0.000 1.064 148 F CA -1.385 56.568 58.000 -0.078 0.000 0.986 148 F CB 1.870 40.807 39.000 -0.106 0.000 1.218 148 F HN -0.133 nan 8.300 nan 0.000 0.484 149 Q N 1.579 121.506 119.800 0.213 0.000 2.137 149 Q HA 0.266 4.788 4.340 0.302 0.000 0.198 149 Q C 0.945 177.008 176.000 0.105 0.000 0.960 149 Q CA 1.095 56.962 55.803 0.107 0.000 0.847 149 Q CB 0.025 28.818 28.738 0.091 0.000 0.915 149 Q HN 0.997 nan 8.270 nan 0.000 0.448 150 G N 0.536 109.421 108.800 0.142 0.000 2.632 150 G HA2 -0.231 3.910 3.960 0.302 0.000 0.224 150 G HA3 -0.231 3.910 3.960 0.302 0.000 0.224 150 G C -2.573 172.338 174.900 0.018 0.000 1.341 150 G CA -0.460 44.676 45.100 0.060 0.000 0.880 150 G HN 0.309 nan 8.290 nan 0.000 0.566 151 P HA 0.201 nan 4.420 nan 0.000 0.264 151 P C -1.724 175.539 177.300 -0.062 0.000 1.183 151 P CA -0.358 62.718 63.100 -0.041 0.000 0.763 151 P CB 0.432 32.103 31.700 -0.048 0.000 0.807 152 P HA -0.179 nan 4.420 nan 0.000 0.216 152 P C 0.425 177.371 177.300 -0.591 0.000 1.150 152 P CA 1.913 64.855 63.100 -0.263 0.000 0.843 152 P CB 0.098 31.715 31.700 -0.138 0.000 0.787 153 H N -3.892 115.169 119.070 -0.014 0.000 1.955 153 H HA 0.448 5.186 4.556 0.302 0.000 0.196 153 H C 0.922 176.250 175.328 0.000 0.000 0.891 153 H CA 0.698 56.743 56.048 -0.005 0.000 1.001 153 H CB -0.086 29.673 29.762 -0.004 0.000 1.195 153 H HN 0.079 nan 8.280 nan 0.000 0.384 154 G N 0.526 109.399 108.800 0.122 0.000 2.663 154 G HA2 -0.199 3.942 3.960 0.302 0.000 0.686 154 G HA3 -0.199 3.942 3.960 0.302 0.000 0.686 154 G C 0.673 175.623 174.900 0.084 0.000 1.288 154 G CA -0.209 44.930 45.100 0.064 0.000 0.836 154 G HN 0.245 nan 8.290 nan 0.000 0.584 155 I N 0.130 120.736 120.570 0.059 0.000 2.087 155 I HA -0.334 4.018 4.170 0.302 0.000 0.240 155 I C 2.926 179.094 176.117 0.086 0.000 1.054 155 I CA 2.563 63.904 61.300 0.069 0.000 1.311 155 I CB -0.312 37.717 38.000 0.048 0.000 1.024 155 I HN 0.781 nan 8.210 nan 0.000 0.402 156 Q N 0.908 120.758 119.800 0.084 0.000 2.014 156 Q HA -0.219 4.302 4.340 0.302 0.000 0.207 156 Q C 2.385 178.454 176.000 0.114 0.000 0.993 156 Q CA 2.636 58.502 55.803 0.104 0.000 0.850 156 Q CB -0.092 28.697 28.738 0.084 0.000 0.916 156 Q HN 0.402 nan 8.270 nan 0.000 0.417 157 V N 1.122 121.099 119.914 0.106 0.000 2.407 157 V HA -0.251 4.050 4.120 0.302 0.000 0.248 157 V C 2.287 178.428 176.094 0.078 0.000 1.055 157 V CA 2.214 64.579 62.300 0.110 0.000 1.049 157 V CB -0.729 31.187 31.823 0.155 0.000 0.662 157 V HN 0.483 nan 8.190 nan 0.000 0.455 158 E N 0.294 120.541 120.200 0.078 0.000 2.051 158 E HA -0.231 4.300 4.350 0.302 0.000 0.192 158 E C 2.489 179.105 176.600 0.027 0.000 0.991 158 E CA 1.271 57.700 56.400 0.048 0.000 0.799 158 E CB -0.083 29.678 29.700 0.100 0.000 0.748 158 E HN 0.491 nan 8.360 nan 0.000 0.449 159 R N 0.349 120.865 120.500 0.027 0.000 2.105 159 R HA -0.137 4.384 4.340 0.302 0.000 0.239 159 R C 1.955 178.160 176.300 -0.158 0.000 1.135 159 R CA 1.562 57.605 56.100 -0.095 0.000 0.967 159 R CB -0.152 30.145 30.300 -0.005 0.000 0.861 159 R HN 0.281 nan 8.270 nan 0.000 0.442 160 D N 0.298 120.731 120.400 0.056 0.000 2.144 160 D HA -0.110 4.711 4.640 0.302 0.000 0.200 160 D C 1.769 178.095 176.300 0.044 0.000 0.978 160 D CA 1.016 55.092 54.000 0.127 0.000 0.833 160 D CB 0.040 40.934 40.800 0.156 0.000 0.961 160 D HN 0.052 nan 8.370 nan 0.000 0.470 161 K N 0.403 120.809 120.400 0.010 0.000 2.062 161 K HA 0.031 4.532 4.320 0.302 0.000 0.205 161 K C 2.176 178.766 176.600 -0.018 0.000 1.051 161 K CA 0.421 56.704 56.287 -0.006 0.000 0.941 161 K CB -0.260 32.215 32.500 -0.042 0.000 0.719 161 K HN 0.261 nan 8.250 nan 0.000 0.440 162 L N 0.485 121.682 121.223 -0.043 0.000 2.558 162 L HA 0.052 4.573 4.340 0.302 0.000 0.225 162 L C 0.146 176.941 176.870 -0.126 0.000 1.128 162 L CA -0.135 54.672 54.840 -0.055 0.000 0.868 162 L CB -0.588 41.455 42.059 -0.027 0.000 1.006 162 L HN 0.230 nan 8.230 nan 0.000 0.454 163 N N 1.533 120.118 118.700 -0.192 0.000 2.740 163 N HA -0.193 4.728 4.740 0.302 0.000 0.248 163 N C -0.598 174.655 175.510 -0.429 0.000 1.062 163 N CA 0.840 53.742 53.050 -0.247 0.000 0.704 163 N CB -0.766 37.695 38.487 -0.043 0.000 0.968 163 N HN 0.371 nan 8.380 nan 0.000 0.547 164 K N 1.130 121.111 120.400 -0.697 0.000 2.413 164 K HA 0.471 4.972 4.320 0.302 0.000 0.257 164 K C -1.067 175.129 176.600 -0.672 0.000 0.946 164 K CA -0.516 55.471 56.287 -0.501 0.000 0.823 164 K CB 1.232 33.572 32.500 -0.266 0.000 1.109 164 K HN 0.116 nan 8.250 nan 0.000 0.427 165 Y N -0.760 119.546 120.300 0.010 0.000 2.588 165 Y HA 0.423 5.153 4.550 0.301 0.000 0.343 165 Y C 1.042 176.950 175.900 0.014 0.000 1.065 165 Y CA -0.778 57.331 58.100 0.016 0.000 1.038 165 Y CB 2.383 40.852 38.460 0.016 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.467 166 G N 1.152 110.070 108.800 0.195 0.000 2.159 166 G HA2 -0.216 3.925 3.960 0.302 0.000 0.256 166 G HA3 -0.216 3.925 3.960 0.302 0.000 0.256 166 G C -0.172 174.775 174.900 0.077 0.000 0.977 166 G CA 0.395 45.563 45.100 0.113 0.000 0.652 166 G HN 0.938 nan 8.290 nan 0.000 0.531 167 R N -1.829 118.711 120.500 0.068 0.000 2.728 167 R HA 0.602 5.123 4.340 0.302 0.000 0.274 167 R C -3.510 172.815 176.300 0.041 0.000 1.032 167 R CA -1.741 54.389 56.100 0.051 0.000 0.866 167 R CB 0.401 30.724 30.300 0.038 0.000 1.263 167 R HN 0.031 nan 8.270 nan 0.000 0.475 168 P HA 0.137 nan 4.420 nan 0.000 0.272 168 P C -0.532 176.779 177.300 0.019 0.000 1.230 168 P CA -0.333 62.788 63.100 0.036 0.000 0.788 168 P CB 0.516 32.247 31.700 0.052 0.000 0.949 169 L N 1.518 122.749 121.223 0.013 0.000 2.421 169 L HA 0.410 4.931 4.340 0.302 0.000 0.263 169 L C 0.154 177.045 176.870 0.036 0.000 1.122 169 L CA -0.610 54.232 54.840 0.004 0.000 0.804 169 L CB 0.243 42.349 42.059 0.079 0.000 1.150 169 L HN 0.168 nan 8.230 nan 0.000 0.457 170 L N 0.845 122.071 121.223 0.005 0.000 2.341 170 L HA 0.678 5.199 4.340 0.302 0.000 0.278 170 L C 0.189 177.118 176.870 0.098 0.000 1.005 170 L CA -0.312 54.570 54.840 0.071 0.000 0.818 170 L CB 1.817 43.899 42.059 0.038 0.000 1.259 170 L HN 0.687 nan 8.230 nan 0.000 0.418 171 G N 0.696 109.581 108.800 0.142 0.000 3.042 171 G HA2 0.665 4.806 3.960 0.302 0.000 0.278 171 G HA3 0.665 4.806 3.960 0.302 0.000 0.278 171 G C -1.810 173.119 174.900 0.048 0.000 1.371 171 G CA -0.557 44.599 45.100 0.094 0.000 1.009 171 G HN 0.697 nan 8.290 nan 0.000 0.523 172 C N -0.257 119.014 119.300 -0.047 0.000 3.178 172 C HA 0.635 5.276 4.460 0.302 0.000 0.428 172 C C -0.392 174.557 174.990 -0.068 0.000 0.967 172 C CA -0.485 58.523 59.018 -0.016 0.000 1.205 172 C CB 0.498 28.252 27.740 0.023 0.000 1.584 172 C HN 0.840 nan 8.230 nan 0.000 0.591 173 T N 7.070 121.608 114.554 -0.027 0.000 2.771 173 T HA 0.428 4.959 4.350 0.302 0.000 0.291 173 T C 0.492 175.191 174.700 -0.002 0.000 0.954 173 T CA -0.279 61.817 62.100 -0.006 0.000 1.045 173 T CB 0.430 69.326 68.868 0.047 0.000 0.917 173 T HN 0.581 nan 8.240 nan 0.000 0.484 174 I N 3.885 124.442 120.570 -0.022 0.000 2.692 174 I HA 0.232 4.583 4.170 0.302 0.000 0.284 174 I C 0.656 176.754 176.117 -0.032 0.000 1.159 174 I CA 0.061 61.289 61.300 -0.121 0.000 1.423 174 I CB 0.069 37.777 38.000 -0.487 0.000 1.380 174 I HN 0.446 nan 8.210 nan 0.000 0.580 175 K N 6.103 126.482 120.400 -0.034 0.000 2.443 175 K HA 0.552 5.053 4.320 0.302 0.000 0.251 175 K C -2.432 174.172 176.600 0.007 0.000 0.972 175 K CA -1.607 54.691 56.287 0.018 0.000 0.833 175 K CB 1.607 34.129 32.500 0.036 0.000 1.317 175 K HN 0.321 nan 8.250 nan 0.000 0.441 176 P HA 0.123 nan 4.420 nan 0.000 0.269 176 P C 0.268 177.599 177.300 0.052 0.000 1.215 176 P CA -0.125 62.989 63.100 0.025 0.000 0.780 176 P CB 0.920 32.617 31.700 -0.005 0.000 0.898 177 K N 0.389 120.819 120.400 0.050 0.000 2.015 177 K HA -0.109 4.392 4.320 0.302 0.000 0.216 177 K C 0.829 177.486 176.600 0.095 0.000 1.052 177 K CA 1.360 57.695 56.287 0.080 0.000 0.937 177 K CB -0.326 32.206 32.500 0.053 0.000 0.719 177 K HN 0.419 nan 8.250 nan 0.000 0.446 178 L N -2.412 118.803 121.223 -0.013 0.000 2.309 178 L HA 0.433 4.954 4.340 0.302 0.000 0.261 178 L C 0.781 177.361 176.870 -0.484 0.000 1.021 178 L CA -0.326 54.401 54.840 -0.188 0.000 0.823 178 L CB 2.240 44.236 42.059 -0.106 0.000 1.366 178 L HN 0.476 nan 8.230 nan 0.000 0.423 179 G N 0.748 108.821 108.800 -1.213 0.000 2.253 179 G HA2 -0.172 3.969 3.960 0.302 0.000 0.209 179 G HA3 -0.172 3.969 3.960 0.302 0.000 0.209 179 G C -0.171 174.492 174.900 -0.395 0.000 0.997 179 G CA -0.570 44.023 45.100 -0.846 0.000 0.640 179 G HN 0.303 nan 8.290 nan 0.000 0.496 180 L N 2.429 123.565 121.223 -0.145 0.000 2.395 180 L HA 0.568 5.090 4.340 0.302 0.000 0.269 180 L C 1.471 178.496 176.870 0.258 0.000 1.133 180 L CA -0.034 54.875 54.840 0.115 0.000 0.812 180 L CB 1.448 43.659 42.059 0.255 0.000 1.125 180 L HN 0.473 nan 8.230 nan 0.000 0.452 181 S N 1.427 117.245 115.700 0.196 0.000 2.645 181 S HA 0.341 4.992 4.470 0.302 0.000 0.266 181 S C 1.018 175.725 174.600 0.178 0.000 1.258 181 S CA -0.169 58.143 58.200 0.186 0.000 0.990 181 S CB 1.576 64.833 63.200 0.095 0.000 0.967 181 S HN 0.700 nan 8.310 nan 0.000 0.556 182 A N 1.358 124.267 122.820 0.148 0.000 1.883 182 A HA -0.132 4.369 4.320 0.302 0.000 0.217 182 A C 2.173 179.758 177.584 0.002 0.000 1.186 182 A CA 1.889 54.038 52.037 0.186 0.000 0.624 182 A CB -0.993 18.209 19.000 0.337 0.000 0.822 182 A HN 0.934 nan 8.150 nan 0.000 0.444 183 K N -0.693 119.486 120.400 -0.367 0.000 2.057 183 K HA -0.166 4.335 4.320 0.302 0.000 0.206 183 K C 1.605 178.042 176.600 -0.271 0.000 1.050 183 K CA 1.459 57.287 56.287 -0.764 0.000 0.935 183 K CB -0.201 31.841 32.500 -0.762 0.000 0.715 183 K HN 0.411 nan 8.250 nan 0.000 0.439 184 N N -0.007 118.639 118.700 -0.090 0.000 2.244 184 N HA -0.156 4.765 4.740 0.302 0.000 0.183 184 N C 1.534 177.077 175.510 0.054 0.000 1.016 184 N CA 0.874 53.920 53.050 -0.007 0.000 0.866 184 N CB -0.283 38.220 38.487 0.027 0.000 0.980 184 N HN 0.249 nan 8.380 nan 0.000 0.430 185 Y N 1.276 121.572 120.300 -0.006 0.000 2.181 185 Y HA -0.078 4.654 4.550 0.303 0.000 0.288 185 Y C 2.426 178.330 175.900 0.007 0.000 1.146 185 Y CA 1.725 59.846 58.100 0.035 0.000 1.164 185 Y CB -0.601 37.912 38.460 0.087 0.000 0.982 185 Y HN 0.051 nan 8.280 nan 0.000 0.515 186 G N -0.466 108.423 108.800 0.148 0.000 2.422 186 G HA2 -0.307 3.834 3.960 0.302 0.000 0.218 186 G HA3 -0.307 3.834 3.960 0.302 0.000 0.218 186 G C 1.720 176.658 174.900 0.063 0.000 1.146 186 G CA 0.891 46.047 45.100 0.094 0.000 0.769 186 G HN 0.392 nan 8.290 nan 0.000 0.547 187 R N 0.631 121.147 120.500 0.027 0.000 2.081 187 R HA 0.099 4.620 4.340 0.302 0.000 0.235 187 R C 2.706 179.047 176.300 0.068 0.000 1.131 187 R CA 1.669 57.808 56.100 0.065 0.000 0.960 187 R CB -0.472 29.839 30.300 0.019 0.000 0.856 187 R HN 0.228 nan 8.270 nan 0.000 0.436 188 A N 0.494 123.308 122.820 -0.009 0.000 1.898 188 A HA -0.061 4.441 4.320 0.302 0.000 0.216 188 A C 2.297 179.850 177.584 -0.052 0.000 1.181 188 A CA 1.501 53.505 52.037 -0.055 0.000 0.620 188 A CB -0.541 18.374 19.000 -0.142 0.000 0.819 188 A HN 0.224 nan 8.150 nan 0.000 0.442 189 V N -1.068 118.817 119.914 -0.048 0.000 2.261 189 V HA -0.293 4.008 4.120 0.302 0.000 0.246 189 V C 2.393 178.511 176.094 0.039 0.000 1.047 189 V CA 2.221 64.513 62.300 -0.014 0.000 1.015 189 V CB -1.056 30.735 31.823 -0.052 0.000 0.642 189 V HN 0.747 nan 8.190 nan 0.000 0.446 190 Y N 1.471 121.757 120.300 -0.024 0.000 2.128 190 Y HA -0.237 4.496 4.550 0.304 0.000 0.284 190 Y C 2.554 178.451 175.900 -0.006 0.000 1.154 190 Y CA 2.023 60.119 58.100 -0.006 0.000 1.149 190 Y CB -0.361 38.103 38.460 0.006 0.000 0.976 190 Y HN 0.275 nan 8.280 nan 0.000 0.505 191 E N -0.414 119.597 120.200 -0.315 0.000 2.110 191 E HA -0.204 4.327 4.350 0.302 0.000 0.193 191 E C 2.500 178.943 176.600 -0.262 0.000 0.988 191 E CA 1.397 57.562 56.400 -0.392 0.000 0.804 191 E CB -0.939 28.671 29.700 -0.151 0.000 0.745 191 E HN 0.557 nan 8.360 nan 0.000 0.458 192 C N 0.656 119.866 119.300 -0.151 0.000 2.453 192 C HA -0.063 4.578 4.460 0.302 0.000 0.277 192 C C 2.880 177.803 174.990 -0.111 0.000 1.262 192 C CA 0.357 59.313 59.018 -0.103 0.000 1.718 192 C CB -1.117 26.590 27.740 -0.055 0.000 2.031 192 C HN 0.360 nan 8.230 nan 0.000 0.480 193 L N 1.207 122.369 121.223 -0.101 0.000 2.083 193 L HA -0.147 4.374 4.340 0.302 0.000 0.209 193 L C 2.849 179.653 176.870 -0.111 0.000 1.083 193 L CA 1.683 56.476 54.840 -0.078 0.000 0.752 193 L CB -0.738 41.310 42.059 -0.019 0.000 0.899 193 L HN 0.477 nan 8.230 nan 0.000 0.433 194 R N 0.527 120.905 120.500 -0.203 0.000 2.285 194 R HA -0.053 4.468 4.340 0.302 0.000 0.213 194 R C 1.807 178.023 176.300 -0.141 0.000 1.068 194 R CA 1.164 57.149 56.100 -0.192 0.000 1.004 194 R CB -0.551 29.522 30.300 -0.379 0.000 0.873 194 R HN 0.254 nan 8.270 nan 0.000 0.467 195 G N -0.442 108.273 108.800 -0.142 0.000 2.880 195 G HA2 0.239 4.380 3.960 0.302 0.000 0.209 195 G HA3 0.239 4.380 3.960 0.302 0.000 0.209 195 G C 0.899 175.748 174.900 -0.086 0.000 1.157 195 G CA 0.267 45.301 45.100 -0.110 0.000 0.779 195 G HN 0.564 nan 8.290 nan 0.000 0.539 196 G N -0.786 107.965 108.800 -0.082 0.000 2.227 196 G HA2 -0.174 3.967 3.960 0.302 0.000 0.168 196 G HA3 -0.174 3.967 3.960 0.302 0.000 0.168 196 G C 0.254 175.104 174.900 -0.083 0.000 1.006 196 G CA -0.306 44.751 45.100 -0.072 0.000 0.684 196 G HN 0.328 nan 8.290 nan 0.000 0.489 197 L N 1.232 122.404 121.223 -0.086 0.000 2.395 197 L HA 0.374 4.895 4.340 0.302 0.000 0.269 197 L C 1.048 177.833 176.870 -0.141 0.000 1.133 197 L CA -0.671 54.117 54.840 -0.085 0.000 0.812 197 L CB 0.640 42.669 42.059 -0.050 0.000 1.125 197 L HN 0.007 nan 8.230 nan 0.000 0.452 198 D N 1.392 121.648 120.400 -0.240 0.000 2.183 198 D HA 0.048 4.869 4.640 0.302 0.000 0.205 198 D C -0.084 175.889 176.300 -0.545 0.000 0.962 198 D CA 1.472 55.172 54.000 -0.500 0.000 0.849 198 D CB 0.326 40.627 40.800 -0.830 0.000 0.978 198 D HN 0.151 nan 8.370 nan 0.000 0.488 199 F N -0.191 119.732 119.950 -0.046 0.000 2.620 199 F HA 0.380 5.089 4.527 0.304 0.000 0.320 199 F C 0.624 176.286 175.800 -0.229 0.000 1.069 199 F CA -1.021 56.898 58.000 -0.135 0.000 0.953 199 F CB 1.650 40.536 39.000 -0.190 0.000 1.322 199 F HN -0.330 nan 8.300 nan 0.000 0.479 203 D N 1.013 121.549 120.400 0.226 0.000 2.368 203 D HA -0.013 4.808 4.640 0.302 0.000 0.240 203 D C 1.515 177.825 176.300 0.015 0.000 1.169 203 D CA 0.018 54.087 54.000 0.114 0.000 0.906 203 D CB 1.077 41.954 40.800 0.128 0.000 1.187 203 D HN 0.406 nan 8.370 nan 0.000 0.435 204 E N 2.338 122.438 120.200 -0.167 0.000 2.171 204 E HA -0.273 4.259 4.350 0.302 0.000 0.197 204 E C 0.723 177.230 176.600 -0.156 0.000 0.997 204 E CA 1.286 57.472 56.400 -0.357 0.000 0.810 204 E CB -0.457 28.646 29.700 -0.995 0.000 0.738 204 E HN 0.508 nan 8.360 nan 0.000 0.467 205 N N 0.995 119.653 118.700 -0.070 0.000 2.336 205 N HA 0.002 4.923 4.740 0.302 0.000 0.189 205 N C -0.008 175.540 175.510 0.062 0.000 1.113 205 N CA -0.040 53.007 53.050 -0.005 0.000 0.858 205 N CB 0.128 38.622 38.487 0.013 0.000 0.970 205 N HN -0.036 nan 8.380 nan 0.000 0.471 206 V N 1.824 121.789 119.914 0.085 0.000 2.356 206 V HA 0.198 4.499 4.120 0.302 0.000 0.258 206 V C 0.264 176.416 176.094 0.097 0.000 1.065 206 V CA -0.269 62.105 62.300 0.122 0.000 0.935 206 V CB -0.321 31.584 31.823 0.137 0.000 1.061 206 V HN 0.304 nan 8.190 nan 0.000 0.484 207 N N 2.593 121.335 118.700 0.070 0.000 2.994 207 N HA 0.235 5.156 4.740 0.302 0.000 0.216 207 N C -0.107 175.447 175.510 0.073 0.000 1.166 207 N CA -0.264 52.825 53.050 0.064 0.000 1.155 207 N CB 0.545 39.041 38.487 0.015 0.000 1.489 207 N HN 0.497 nan 8.380 nan 0.000 0.556 208 S N 0.233 115.941 115.700 0.013 0.000 2.720 208 S HA 0.429 5.080 4.470 0.302 0.000 0.278 208 S C -1.821 172.700 174.600 -0.131 0.000 1.172 208 S CA -0.432 57.772 58.200 0.008 0.000 1.019 208 S CB 1.089 64.386 63.200 0.161 0.000 1.049 208 S HN 0.243 nan 8.310 nan 0.000 0.483 209 Q N 3.369 122.969 119.800 -0.334 0.000 2.544 209 Q HA 0.505 5.026 4.340 0.302 0.000 0.291 209 Q C -2.106 173.587 176.000 -0.512 0.000 1.068 209 Q CA -1.792 53.723 55.803 -0.480 0.000 0.785 209 Q CB 1.388 29.652 28.738 -0.789 0.000 1.481 209 Q HN 0.261 nan 8.270 nan 0.000 0.430 210 P HA -0.199 nan 4.420 nan 0.000 0.216 210 P C 0.634 177.854 177.300 -0.133 0.000 1.154 210 P CA 1.494 64.496 63.100 -0.162 0.000 0.865 210 P CB 0.031 31.713 31.700 -0.029 0.000 0.789 211 F N -2.477 117.486 119.950 0.021 0.000 2.502 211 F HA 0.237 4.945 4.527 0.302 0.000 0.298 211 F C 0.987 176.803 175.800 0.027 0.000 1.111 211 F CA 0.246 58.261 58.000 0.026 0.000 1.445 211 F CB -0.689 38.331 39.000 0.033 0.000 1.081 211 F HN -0.162 nan 8.300 nan 0.000 0.558 212 M N 1.274 120.674 119.600 -0.333 0.000 2.310 212 M HA 0.343 5.005 4.480 0.302 0.000 0.242 212 M C -1.446 174.730 176.300 -0.207 0.000 1.000 212 M CA -0.543 54.687 55.300 -0.117 0.000 0.970 212 M CB 1.028 33.692 32.600 0.106 0.000 2.191 212 M HN -0.213 nan 8.290 nan 0.000 0.470 213 R N 3.897 124.318 120.500 -0.131 0.000 2.441 213 R HA 0.231 4.753 4.340 0.302 0.000 0.284 213 R C 1.112 177.337 176.300 -0.125 0.000 1.070 213 R CA -0.226 55.786 56.100 -0.145 0.000 1.047 213 R CB 0.535 30.713 30.300 -0.202 0.000 1.016 213 R HN 0.955 nan 8.270 nan 0.000 0.477 214 W N 4.652 125.860 121.300 -0.153 0.000 2.318 214 W HA -0.238 4.602 4.660 0.301 0.000 0.313 214 W C 1.139 177.501 176.519 -0.263 0.000 1.221 214 W CA 0.977 58.206 57.345 -0.193 0.000 1.266 214 W CB -0.525 28.738 29.460 -0.328 0.000 1.150 214 W HN 0.582 nan 8.180 nan 0.000 0.496 215 R N 0.978 120.621 120.500 -1.428 0.000 2.096 215 R HA -0.151 4.370 4.340 0.302 0.000 0.235 215 R C 1.924 177.988 176.300 -0.393 0.000 1.127 215 R CA 2.124 57.457 56.100 -1.279 0.000 0.968 215 R CB -0.404 28.879 30.300 -1.694 0.000 0.861 215 R HN 0.022 nan 8.270 nan 0.000 0.440 216 D N -0.200 120.024 120.400 -0.293 0.000 2.117 216 D HA -0.185 4.636 4.640 0.302 0.000 0.197 216 D C 1.866 178.262 176.300 0.160 0.000 0.987 216 D CA 0.999 54.957 54.000 -0.071 0.000 0.829 216 D CB -0.195 40.618 40.800 0.023 0.000 0.961 216 D HN 0.254 nan 8.370 nan 0.000 0.460 217 R N -0.201 120.425 120.500 0.209 0.000 2.073 217 R HA -0.150 4.371 4.340 0.302 0.000 0.234 217 R C 2.266 178.826 176.300 0.433 0.000 1.134 217 R CA 1.076 57.370 56.100 0.322 0.000 0.952 217 R CB -0.347 30.104 30.300 0.251 0.000 0.850 217 R HN 0.017 nan 8.270 nan 0.000 0.433 218 F N 1.148 121.220 119.950 0.205 0.000 2.091 218 F HA -0.218 4.490 4.527 0.303 0.000 0.299 218 F C 2.271 178.157 175.800 0.143 0.000 1.103 218 F CA 1.225 59.367 58.000 0.238 0.000 1.228 218 F CB -0.881 38.388 39.000 0.449 0.000 0.984 218 F HN 0.102 nan 8.300 nan 0.000 0.477 219 L N -1.455 119.976 121.223 0.347 0.000 2.017 219 L HA -0.252 4.269 4.340 0.302 0.000 0.208 219 L C 2.340 179.218 176.870 0.012 0.000 1.073 219 L CA 1.539 56.446 54.840 0.111 0.000 0.745 219 L CB -0.492 41.534 42.059 -0.055 0.000 0.894 219 L HN -0.029 nan 8.230 nan 0.000 0.432 220 F N -0.813 119.209 119.950 0.121 0.000 2.259 220 F HA -0.162 4.546 4.527 0.302 0.000 0.298 220 F C 2.588 178.413 175.800 0.041 0.000 1.088 220 F CA 1.010 59.057 58.000 0.078 0.000 1.358 220 F CB -1.045 38.005 39.000 0.083 0.000 1.040 220 F HN 0.197 nan 8.300 nan 0.000 0.505 221 C N -0.405 119.013 119.300 0.195 0.000 2.435 221 C HA -0.043 4.598 4.460 0.302 0.000 0.279 221 C C 3.086 178.046 174.990 -0.049 0.000 1.321 221 C CA 0.901 59.916 59.018 -0.006 0.000 1.752 221 C CB -1.503 26.119 27.740 -0.197 0.000 1.959 221 C HN 0.492 nan 8.230 nan 0.000 0.500 222 A N 0.220 123.024 122.820 -0.027 0.000 1.873 222 A HA -0.221 4.281 4.320 0.302 0.000 0.215 222 A C 2.169 179.739 177.584 -0.022 0.000 1.186 222 A CA 1.790 53.754 52.037 -0.122 0.000 0.616 222 A CB -0.677 18.305 19.000 -0.029 0.000 0.823 222 A HN 0.682 nan 8.150 nan 0.000 0.442 223 E N -0.133 120.131 120.200 0.105 0.000 2.085 223 E HA -0.170 4.362 4.350 0.302 0.000 0.194 223 E C 2.187 178.854 176.600 0.111 0.000 0.994 223 E CA 1.093 57.584 56.400 0.153 0.000 0.801 223 E CB -0.230 29.563 29.700 0.155 0.000 0.743 223 E HN 0.537 nan 8.360 nan 0.000 0.453 224 A N 1.215 124.088 122.820 0.088 0.000 1.877 224 A HA -0.182 4.320 4.320 0.302 0.000 0.216 224 A C 2.216 179.870 177.584 0.115 0.000 1.186 224 A CA 1.725 53.821 52.037 0.098 0.000 0.620 224 A CB -0.755 18.314 19.000 0.116 0.000 0.822 224 A HN 0.381 nan 8.150 nan 0.000 0.443 225 L N -3.349 117.878 121.223 0.006 0.000 2.093 225 L HA -0.045 4.476 4.340 0.302 0.000 0.208 225 L C 2.204 179.080 176.870 0.010 0.000 1.085 225 L CA 1.776 56.600 54.840 -0.027 0.000 0.755 225 L CB -1.251 40.725 42.059 -0.138 0.000 0.904 225 L HN 0.252 nan 8.230 nan 0.000 0.435 226 Y N 0.654 120.996 120.300 0.071 0.000 2.293 226 Y HA -0.073 4.658 4.550 0.301 0.000 0.291 226 Y C 2.737 178.670 175.900 0.055 0.000 1.137 226 Y CA 1.287 59.418 58.100 0.052 0.000 1.202 226 Y CB -0.565 37.914 38.460 0.031 0.000 0.990 226 Y HN 0.329 nan 8.280 nan 0.000 0.537 227 K N 0.121 120.643 120.400 0.202 0.000 2.062 227 K HA -0.104 4.397 4.320 0.302 0.000 0.205 227 K C 2.282 179.015 176.600 0.222 0.000 1.051 227 K CA 1.049 57.410 56.287 0.124 0.000 0.941 227 K CB -0.191 32.267 32.500 -0.070 0.000 0.719 227 K HN 0.197 nan 8.250 nan 0.000 0.440 228 A N 1.139 124.142 122.820 0.305 0.000 1.933 228 A HA -0.222 4.279 4.320 0.302 0.000 0.218 228 A C 2.073 179.744 177.584 0.145 0.000 1.175 228 A CA 1.605 53.801 52.037 0.265 0.000 0.628 228 A CB -0.570 18.541 19.000 0.185 0.000 0.814 228 A HN 0.555 nan 8.150 nan 0.000 0.444 229 Q N -0.591 119.291 119.800 0.138 0.000 2.079 229 Q HA -0.079 4.442 4.340 0.302 0.000 0.200 229 Q C 2.168 178.227 176.000 0.099 0.000 0.974 229 Q CA 1.438 57.306 55.803 0.108 0.000 0.840 229 Q CB -0.332 28.491 28.738 0.143 0.000 0.898 229 Q HN 0.593 nan 8.270 nan 0.000 0.430 230 A N 0.810 123.700 122.820 0.116 0.000 1.933 230 A HA -0.241 4.260 4.320 0.302 0.000 0.218 230 A C 1.890 179.519 177.584 0.075 0.000 1.175 230 A CA 1.659 53.746 52.037 0.084 0.000 0.628 230 A CB -0.648 18.399 19.000 0.077 0.000 0.814 230 A HN 0.621 nan 8.150 nan 0.000 0.444 231 E N -0.478 119.781 120.200 0.100 0.000 2.072 231 E HA -0.167 4.365 4.350 0.302 0.000 0.191 231 E C 2.059 178.695 176.600 0.060 0.000 0.985 231 E CA 1.829 58.285 56.400 0.093 0.000 0.801 231 E CB -0.077 29.712 29.700 0.148 0.000 0.750 231 E HN 0.740 nan 8.360 nan 0.000 0.452 232 T N -3.912 110.673 114.554 0.051 0.000 3.031 232 T HA 0.226 4.757 4.350 0.302 0.000 0.254 232 T C 1.565 176.277 174.700 0.021 0.000 1.060 232 T CA 0.741 62.856 62.100 0.025 0.000 1.135 232 T CB 0.460 69.333 68.868 0.008 0.000 0.896 232 T HN 0.339 nan 8.240 nan 0.000 0.472 233 G N 1.163 109.980 108.800 0.028 0.000 2.157 233 G HA2 -0.193 3.949 3.960 0.302 0.000 0.248 233 G HA3 -0.193 3.949 3.960 0.302 0.000 0.248 233 G C -0.274 174.635 174.900 0.014 0.000 0.979 233 G CA 0.120 45.234 45.100 0.023 0.000 0.650 233 G HN 0.675 nan 8.290 nan 0.000 0.529 234 E N -0.324 119.879 120.200 0.006 0.000 2.212 234 E HA 0.576 5.107 4.350 0.302 0.000 0.268 234 E C 0.311 176.904 176.600 -0.012 0.000 0.902 234 E CA -1.068 55.323 56.400 -0.015 0.000 0.779 234 E CB 1.813 31.490 29.700 -0.039 0.000 1.172 234 E HN 0.295 nan 8.360 nan 0.000 0.409 235 I N 3.193 123.750 120.570 -0.021 0.000 2.618 235 I HA -0.002 4.349 4.170 0.302 0.000 0.284 235 I C 0.409 176.503 176.117 -0.039 0.000 1.146 235 I CA 0.398 61.695 61.300 -0.005 0.000 1.425 235 I CB 0.081 38.079 38.000 -0.003 0.000 1.383 235 I HN 0.185 nan 8.210 nan 0.000 0.562 236 K N 4.482 124.885 120.400 0.006 0.000 2.350 236 K HA 0.811 5.313 4.320 0.302 0.000 0.241 236 K C -0.254 176.398 176.600 0.087 0.000 0.994 236 K CA -0.757 55.529 56.287 -0.002 0.000 0.839 236 K CB 2.178 34.686 32.500 0.013 0.000 1.244 236 K HN 0.780 nan 8.250 nan 0.000 0.443 237 G N -0.084 108.838 108.800 0.203 0.000 2.704 237 G HA2 0.448 4.589 3.960 0.302 0.000 0.293 237 G HA3 0.448 4.589 3.960 0.302 0.000 0.293 237 G C -2.042 173.053 174.900 0.326 0.000 1.421 237 G CA -0.406 44.889 45.100 0.326 0.000 0.870 237 G HN 0.613 nan 8.290 nan 0.000 0.492 238 H N 0.122 119.256 119.070 0.106 0.000 2.924 238 H HA 0.522 5.258 4.556 0.301 0.000 0.333 238 H C -1.112 174.252 175.328 0.061 0.000 0.979 238 H CA -0.793 55.265 56.048 0.016 0.000 1.326 238 H CB 0.757 30.510 29.762 -0.015 0.000 1.600 238 H HN 0.371 nan 8.280 nan 0.000 0.520 239 Y N 5.626 125.615 120.300 -0.518 0.000 2.730 239 Y HA 0.083 4.815 4.550 0.302 0.000 0.354 239 Y C 0.191 175.903 175.900 -0.314 0.000 1.139 239 Y CA -0.449 57.421 58.100 -0.383 0.000 1.516 239 Y CB -0.673 37.555 38.460 -0.386 0.000 1.204 239 Y HN 0.476 nan 8.280 nan 0.000 0.520 240 L N 4.451 125.640 121.223 -0.057 0.000 2.313 240 L HA 0.183 4.704 4.340 0.302 0.000 0.282 240 L C 0.685 177.547 176.870 -0.012 0.000 1.092 240 L CA -0.339 54.379 54.840 -0.204 0.000 0.831 240 L CB 0.328 41.911 42.059 -0.794 0.000 1.159 240 L HN 0.513 nan 8.230 nan 0.000 0.442 241 N N 2.391 121.181 118.700 0.150 0.000 2.452 241 N HA 0.128 5.049 4.740 0.302 0.000 0.266 241 N C 0.385 176.068 175.510 0.288 0.000 1.175 241 N CA 0.137 53.313 53.050 0.210 0.000 0.945 241 N CB 1.739 40.337 38.487 0.186 0.000 1.063 241 N HN 0.715 nan 8.380 nan 0.000 0.472 242 A N 2.681 125.622 122.820 0.200 0.000 2.348 242 A HA 0.110 4.611 4.320 0.302 0.000 0.224 242 A C 0.644 178.263 177.584 0.058 0.000 1.227 242 A CA -0.099 52.004 52.037 0.110 0.000 0.885 242 A CB -0.187 18.843 19.000 0.050 0.000 0.933 242 A HN 0.565 nan 8.150 nan 0.000 0.506 243 T N 1.959 116.607 114.554 0.157 0.000 2.866 243 T HA 0.428 4.959 4.350 0.302 0.000 0.293 243 T C 0.281 174.993 174.700 0.019 0.000 1.005 243 T CA 0.947 63.143 62.100 0.160 0.000 1.162 243 T CB 0.531 69.441 68.868 0.070 0.000 0.968 243 T HN 0.683 nan 8.240 nan 0.000 0.530 244 A N 2.647 125.466 122.820 -0.001 0.000 2.567 244 A HA 0.832 5.333 4.320 0.302 0.000 0.289 244 A C 1.345 178.903 177.584 -0.043 0.000 1.177 244 A CA -0.294 51.703 52.037 -0.067 0.000 0.694 244 A CB 0.642 19.551 19.000 -0.152 0.000 1.292 244 A HN 0.745 nan 8.150 nan 0.000 0.425 245 G N -0.946 107.821 108.800 -0.056 0.000 2.511 245 G HA2 0.359 4.500 3.960 0.302 0.000 0.217 245 G HA3 0.359 4.500 3.960 0.302 0.000 0.217 245 G C 0.643 175.521 174.900 -0.037 0.000 1.133 245 G CA 1.723 46.799 45.100 -0.040 0.000 0.792 245 G HN 1.558 nan 8.290 nan 0.000 0.539 246 T N -4.486 110.037 114.554 -0.052 0.000 2.883 246 T HA 0.284 4.815 4.350 0.302 0.000 0.296 246 T C 0.871 175.532 174.700 -0.066 0.000 1.117 246 T CA -0.217 61.853 62.100 -0.048 0.000 1.006 246 T CB 1.349 70.188 68.868 -0.048 0.000 1.191 246 T HN -0.104 nan 8.240 nan 0.000 0.508 247 C N 0.595 119.860 119.300 -0.057 0.000 2.429 247 C HA -0.016 4.625 4.460 0.302 0.000 0.277 247 C C 2.648 177.578 174.990 -0.101 0.000 1.262 247 C CA 1.039 60.012 59.018 -0.075 0.000 1.733 247 C CB -1.336 26.373 27.740 -0.053 0.000 2.010 247 C HN 1.021 nan 8.230 nan 0.000 0.483 248 E N 1.212 121.361 120.200 -0.085 0.000 2.051 248 E HA -0.160 4.371 4.350 0.302 0.000 0.192 248 E C 1.724 178.244 176.600 -0.133 0.000 0.991 248 E CA 1.377 57.722 56.400 -0.093 0.000 0.799 248 E CB -0.354 29.308 29.700 -0.064 0.000 0.748 248 E HN 0.535 nan 8.360 nan 0.000 0.449 249 D N -0.194 120.121 120.400 -0.142 0.000 2.144 249 D HA -0.141 4.681 4.640 0.302 0.000 0.199 249 D C 1.851 177.970 176.300 -0.302 0.000 0.984 249 D CA 0.780 54.653 54.000 -0.213 0.000 0.834 249 D CB -0.201 40.487 40.800 -0.187 0.000 0.955 249 D HN 0.170 nan 8.370 nan 0.000 0.465 250 M N -0.336 119.125 119.600 -0.232 0.000 2.086 250 M HA -0.174 4.488 4.480 0.302 0.000 0.261 250 M C 1.740 177.871 176.300 -0.282 0.000 1.067 250 M CA 1.228 56.382 55.300 -0.242 0.000 1.116 250 M CB 0.057 32.541 32.600 -0.192 0.000 1.348 250 M HN -0.099 nan 8.290 nan 0.000 0.407 251 M N 0.042 119.481 119.600 -0.268 0.000 2.175 251 M HA -0.164 4.497 4.480 0.302 0.000 0.264 251 M C 2.009 178.135 176.300 -0.291 0.000 1.063 251 M CA 1.619 56.725 55.300 -0.324 0.000 1.119 251 M CB -1.167 31.275 32.600 -0.264 0.000 1.377 251 M HN 0.252 nan 8.290 nan 0.000 0.415 252 K N 0.117 120.366 120.400 -0.251 0.000 2.032 252 K HA -0.152 4.349 4.320 0.302 0.000 0.209 252 K C 2.096 178.542 176.600 -0.256 0.000 1.048 252 K CA 1.540 57.708 56.287 -0.198 0.000 0.927 252 K CB 0.048 32.424 32.500 -0.206 0.000 0.712 252 K HN 0.264 nan 8.250 nan 0.000 0.441 253 R N -0.559 119.607 120.500 -0.556 0.000 2.090 253 R HA -0.015 4.506 4.340 0.302 0.000 0.228 253 R C 2.340 178.675 176.300 0.059 0.000 1.110 253 R CA 1.074 56.819 56.100 -0.591 0.000 0.973 253 R CB -0.272 29.520 30.300 -0.847 0.000 0.869 253 R HN 0.171 nan 8.270 nan 0.000 0.440 254 A N 0.894 123.683 122.820 -0.050 0.000 1.902 254 A HA -0.103 4.398 4.320 0.302 0.000 0.217 254 A C 2.351 180.012 177.584 0.129 0.000 1.181 254 A CA 1.271 53.323 52.037 0.026 0.000 0.623 254 A CB -0.519 18.341 19.000 -0.233 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.276 118.655 119.914 0.030 0.000 2.343 255 V HA -0.229 4.072 4.120 0.302 0.000 0.247 255 V C 2.270 178.561 176.094 0.329 0.000 1.051 255 V CA 2.121 64.532 62.300 0.185 0.000 1.036 255 V CB -0.863 31.025 31.823 0.109 0.000 0.654 255 V HN 0.631 nan 8.190 nan 0.000 0.451 256 F N 1.387 121.472 119.950 0.224 0.000 2.234 256 F HA -0.014 4.695 4.527 0.302 0.000 0.299 256 F C 2.228 178.235 175.800 0.345 0.000 1.087 256 F CA 0.869 59.050 58.000 0.301 0.000 1.340 256 F CB -0.636 38.619 39.000 0.425 0.000 1.031 256 F HN 0.081 nan 8.300 nan 0.000 0.500 257 A N 0.580 123.606 122.820 0.344 0.000 1.933 257 A HA -0.175 4.326 4.320 0.302 0.000 0.218 257 A C 2.441 180.078 177.584 0.087 0.000 1.175 257 A CA 1.369 53.505 52.037 0.165 0.000 0.628 257 A CB -0.697 18.425 19.000 0.203 0.000 0.814 257 A HN 0.282 nan 8.150 nan 0.000 0.444 258 R N 0.047 120.649 120.500 0.170 0.000 2.073 258 R HA -0.141 4.381 4.340 0.302 0.000 0.234 258 R C 2.074 178.432 176.300 0.098 0.000 1.134 258 R CA 1.916 58.107 56.100 0.153 0.000 0.952 258 R CB -0.612 29.832 30.300 0.241 0.000 0.850 258 R HN 0.778 nan 8.270 nan 0.000 0.433 259 E N 0.238 120.498 120.200 0.100 0.000 2.118 259 E HA -0.158 4.373 4.350 0.302 0.000 0.195 259 E C 2.004 178.598 176.600 -0.009 0.000 0.992 259 E CA 1.015 57.459 56.400 0.072 0.000 0.804 259 E CB -0.056 29.739 29.700 0.159 0.000 0.741 259 E HN 0.314 nan 8.360 nan 0.000 0.458 260 L N -0.596 120.553 121.223 -0.124 0.000 2.376 260 L HA 0.028 4.549 4.340 0.302 0.000 0.219 260 L C 1.640 178.558 176.870 0.080 0.000 1.133 260 L CA 0.591 55.379 54.840 -0.087 0.000 0.816 260 L CB -0.195 41.731 42.059 -0.221 0.000 0.933 260 L HN 0.448 nan 8.230 nan 0.000 0.449 261 G N 0.436 109.278 108.800 0.070 0.000 2.155 261 G HA2 -0.271 3.870 3.960 0.302 0.000 0.257 261 G HA3 -0.271 3.870 3.960 0.302 0.000 0.257 261 G C 0.432 175.421 174.900 0.148 0.000 0.983 261 G CA 0.298 45.466 45.100 0.115 0.000 0.676 261 G HN 0.277 nan 8.290 nan 0.000 0.528 262 V N -2.012 117.950 119.914 0.080 0.000 3.051 262 V HA 0.634 4.935 4.120 0.302 0.000 0.306 262 V C 0.155 176.267 176.094 0.030 0.000 1.083 262 V CA -0.662 61.649 62.300 0.018 0.000 1.104 262 V CB 1.072 32.850 31.823 -0.075 0.000 1.027 262 V HN 0.110 nan 8.190 nan 0.000 0.483 263 P HA 0.259 nan 4.420 nan 0.000 0.230 263 P C 0.151 177.441 177.300 -0.017 0.000 1.168 263 P CA 0.741 63.853 63.100 0.021 0.000 0.793 263 P CB 0.667 32.403 31.700 0.059 0.000 0.851 264 I N -0.049 120.511 120.570 -0.016 0.000 2.827 264 I HA 0.344 4.696 4.170 0.302 0.000 0.298 264 I C -1.346 174.731 176.117 -0.066 0.000 1.235 264 I CA -1.318 59.934 61.300 -0.080 0.000 1.021 264 I CB 2.607 40.507 38.000 -0.168 0.000 1.259 264 I HN -0.291 nan 8.210 nan 0.000 0.427 265 V N 4.109 123.972 119.914 -0.085 0.000 3.126 265 V HA 0.729 5.030 4.120 0.302 0.000 0.314 265 V C -0.561 175.500 176.094 -0.055 0.000 1.138 265 V CA -0.805 61.473 62.300 -0.037 0.000 1.034 265 V CB 1.819 33.659 31.823 0.029 0.000 1.075 265 V HN 0.910 nan 8.190 nan 0.000 0.442 266 M N 0.839 120.461 119.600 0.037 0.000 2.658 266 M HA 0.719 5.380 4.480 0.302 0.000 0.295 266 M C -1.146 175.261 176.300 0.178 0.000 1.248 266 M CA -0.518 54.839 55.300 0.095 0.000 0.843 266 M CB 2.482 35.206 32.600 0.207 0.000 1.749 266 M HN 1.043 nan 8.290 nan 0.000 0.464 267 H N 0.247 119.340 119.070 0.037 0.000 3.029 267 H HA 0.295 5.032 4.556 0.302 0.000 0.358 267 H C -1.816 173.549 175.328 0.061 0.000 1.129 267 H CA -0.607 55.460 56.048 0.031 0.000 1.230 267 H CB 2.053 31.818 29.762 0.006 0.000 1.827 267 H HN 0.858 nan 8.280 nan 0.000 0.530 268 D N 5.314 125.464 120.400 -0.415 0.000 2.468 268 D HA -0.015 4.806 4.640 0.302 0.000 0.218 268 D C 1.029 177.016 176.300 -0.522 0.000 1.155 268 D CA -0.148 53.684 54.000 -0.280 0.000 0.924 268 D CB 0.103 40.781 40.800 -0.205 0.000 1.029 268 D HN 0.535 nan 8.370 nan 0.000 0.515 269 Y N 1.491 121.495 120.300 -0.493 0.000 2.333 269 Y HA -0.090 4.641 4.550 0.302 0.000 0.290 269 Y C 1.253 176.873 175.900 -0.467 0.000 1.144 269 Y CA 1.001 58.834 58.100 -0.444 0.000 1.228 269 Y CB -0.446 37.856 38.460 -0.264 0.000 0.985 269 Y HN 0.257 nan 8.280 nan 0.000 0.542 270 L N 0.321 121.092 121.223 -0.754 0.000 2.127 270 L HA -0.052 4.470 4.340 0.302 0.000 0.203 270 L C 2.638 179.277 176.870 -0.384 0.000 1.080 270 L CA 1.492 55.898 54.840 -0.723 0.000 0.768 270 L CB -0.863 40.822 42.059 -0.624 0.000 0.924 270 L HN 0.395 nan 8.230 nan 0.000 0.444 271 T N -3.240 111.147 114.554 -0.278 0.000 2.942 271 T HA -0.026 4.506 4.350 0.302 0.000 0.265 271 T C 1.850 176.455 174.700 -0.158 0.000 1.062 271 T CA 0.909 62.899 62.100 -0.182 0.000 1.139 271 T CB -0.467 68.317 68.868 -0.138 0.000 0.883 271 T HN 0.331 nan 8.240 nan 0.000 0.468 272 G N 1.236 109.911 108.800 -0.208 0.000 2.396 272 G HA2 0.450 4.591 3.960 0.302 0.000 0.214 272 G HA3 0.450 4.591 3.960 0.302 0.000 0.214 272 G C 0.829 175.709 174.900 -0.032 0.000 1.166 272 G CA 0.171 45.222 45.100 -0.081 0.000 0.793 272 G HN 1.236 nan 8.290 nan 0.000 0.533 273 G N -1.815 106.909 108.800 -0.128 0.000 2.640 273 G HA2 -0.007 4.135 3.960 0.302 0.000 0.686 273 G HA3 -0.007 4.135 3.960 0.302 0.000 0.686 273 G C 0.093 174.973 174.900 -0.033 0.000 1.229 273 G CA -0.236 44.803 45.100 -0.102 0.000 0.796 273 G HN 0.061 nan 8.290 nan 0.000 0.654 274 F N 0.723 120.737 119.950 0.107 0.000 2.171 274 F HA -0.019 4.689 4.527 0.302 0.000 0.300 274 F C 3.101 178.963 175.800 0.105 0.000 1.090 274 F CA 2.307 60.396 58.000 0.148 0.000 1.293 274 F CB -0.499 38.600 39.000 0.165 0.000 1.013 274 F HN 0.561 nan 8.300 nan 0.000 0.486 275 T N -0.245 114.461 114.554 0.253 0.000 2.708 275 T HA -0.197 4.334 4.350 0.302 0.000 0.266 275 T C 2.290 177.036 174.700 0.077 0.000 1.037 275 T CA 1.481 63.664 62.100 0.140 0.000 1.146 275 T CB -0.662 68.268 68.868 0.103 0.000 0.865 275 T HN 0.290 nan 8.240 nan 0.000 0.435 276 A N 1.424 124.289 122.820 0.075 0.000 1.969 276 A HA -0.074 4.427 4.320 0.302 0.000 0.218 276 A C 2.125 179.691 177.584 -0.031 0.000 1.169 276 A CA 1.824 53.869 52.037 0.014 0.000 0.635 276 A CB -0.782 18.241 19.000 0.038 0.000 0.810 276 A HN 0.527 nan 8.150 nan 0.000 0.445 277 N N -0.477 118.289 118.700 0.110 0.000 2.142 277 N HA -0.116 4.805 4.740 0.302 0.000 0.186 277 N C 1.616 177.132 175.510 0.011 0.000 1.023 277 N CA 2.151 55.269 53.050 0.113 0.000 0.852 277 N CB -0.295 38.369 38.487 0.295 0.000 0.998 277 N HN 0.348 nan 8.380 nan 0.000 0.424 278 T N -1.179 113.383 114.554 0.014 0.000 2.788 278 T HA -0.097 4.435 4.350 0.302 0.000 0.268 278 T C 1.725 176.211 174.700 -0.356 0.000 1.044 278 T CA 1.617 63.622 62.100 -0.157 0.000 1.139 278 T CB -0.630 68.170 68.868 -0.113 0.000 0.867 278 T HN 0.294 nan 8.240 nan 0.000 0.454 279 T N 2.164 116.606 114.554 -0.187 0.000 2.708 279 T HA -0.026 4.505 4.350 0.302 0.000 0.266 279 T C 1.853 176.519 174.700 -0.057 0.000 1.037 279 T CA 0.807 62.834 62.100 -0.121 0.000 1.146 279 T CB -0.401 68.426 68.868 -0.068 0.000 0.865 279 T HN 0.112 nan 8.240 nan 0.000 0.435 280 L N 0.982 122.146 121.223 -0.099 0.000 2.093 280 L HA 0.065 4.586 4.340 0.302 0.000 0.208 280 L C 2.609 179.504 176.870 0.042 0.000 1.085 280 L CA 1.640 56.446 54.840 -0.056 0.000 0.755 280 L CB -1.040 40.882 42.059 -0.227 0.000 0.904 280 L HN 0.174 nan 8.230 nan 0.000 0.435 281 S N -1.329 114.364 115.700 -0.011 0.000 2.370 281 S HA -0.263 4.388 4.470 0.302 0.000 0.226 281 S C 2.011 176.696 174.600 0.142 0.000 1.033 281 S CA 1.685 59.908 58.200 0.039 0.000 1.011 281 S CB -0.487 62.719 63.200 0.011 0.000 0.852 281 S HN 0.736 nan 8.310 nan 0.000 0.457 282 H N -2.096 116.999 119.070 0.042 0.000 2.389 282 H HA -0.065 4.672 4.556 0.302 0.000 0.299 282 H C 2.034 177.383 175.328 0.034 0.000 1.081 282 H CA 1.481 57.544 56.048 0.025 0.000 1.345 282 H CB -0.186 29.596 29.762 0.033 0.000 1.393 282 H HN 0.559 nan 8.280 nan 0.000 0.520 283 Y N 1.004 121.367 120.300 0.103 0.000 2.181 283 Y HA -0.268 4.463 4.550 0.302 0.000 0.288 283 Y C 2.436 178.365 175.900 0.049 0.000 1.146 283 Y CA 1.136 59.269 58.100 0.055 0.000 1.164 283 Y CB -0.623 37.851 38.460 0.023 0.000 0.982 283 Y HN 0.195 nan 8.280 nan 0.000 0.515 284 C N 0.269 119.627 119.300 0.096 0.000 2.425 284 C HA -0.134 4.508 4.460 0.302 0.000 0.277 284 C C 2.751 177.737 174.990 -0.008 0.000 1.280 284 C CA 1.416 60.465 59.018 0.052 0.000 1.744 284 C CB -1.218 26.594 27.740 0.119 0.000 1.989 284 C HN 0.579 nan 8.230 nan 0.000 0.491 285 R N 1.841 122.302 120.500 -0.065 0.000 2.073 285 R HA -0.086 4.435 4.340 0.302 0.000 0.234 285 R C 1.484 177.708 176.300 -0.127 0.000 1.134 285 R CA 1.955 57.954 56.100 -0.168 0.000 0.952 285 R CB -0.905 29.312 30.300 -0.139 0.000 0.850 285 R HN 0.427 nan 8.270 nan 0.000 0.433 286 D N -0.284 120.032 120.400 -0.140 0.000 2.348 286 D HA -0.027 4.795 4.640 0.302 0.000 0.216 286 D C 0.260 176.444 176.300 -0.194 0.000 0.970 286 D CA 0.715 54.623 54.000 -0.153 0.000 0.889 286 D CB 0.061 40.771 40.800 -0.150 0.000 0.912 286 D HN 0.346 nan 8.370 nan 0.000 0.524 287 N N -0.590 117.958 118.700 -0.253 0.000 2.194 287 N HA 0.108 5.029 4.740 0.302 0.000 0.231 287 N C 0.783 176.253 175.510 -0.066 0.000 1.247 287 N CA 0.191 53.106 53.050 -0.225 0.000 0.884 287 N CB 1.854 40.048 38.487 -0.488 0.000 1.146 287 N HN 0.032 nan 8.380 nan 0.000 0.516 288 G N 1.641 110.463 108.800 0.038 0.000 2.249 288 G HA2 -0.273 3.868 3.960 0.302 0.000 0.273 288 G HA3 -0.273 3.868 3.960 0.302 0.000 0.273 288 G C -0.161 174.763 174.900 0.039 0.000 1.036 288 G CA 0.207 45.385 45.100 0.130 0.000 0.824 288 G HN 0.263 nan 8.290 nan 0.000 0.504 289 L N -0.121 121.162 121.223 0.101 0.000 2.295 289 L HA 0.550 5.071 4.340 0.302 0.000 0.285 289 L C 1.086 177.978 176.870 0.037 0.000 1.035 289 L CA -1.053 53.810 54.840 0.039 0.000 0.806 289 L CB 1.338 43.446 42.059 0.082 0.000 1.214 289 L HN 0.060 nan 8.230 nan 0.000 0.426 290 L N 3.715 124.868 121.223 -0.118 0.000 2.439 290 L HA 0.219 4.740 4.340 0.302 0.000 0.269 290 L C -0.397 176.383 176.870 -0.150 0.000 1.179 290 L CA -0.236 54.511 54.840 -0.155 0.000 0.828 290 L CB 0.920 42.829 42.059 -0.249 0.000 1.106 290 L HN 0.392 nan 8.230 nan 0.000 0.467 291 L N 2.673 123.791 121.223 -0.174 0.000 2.377 291 L HA 0.342 4.863 4.340 0.302 0.000 0.270 291 L C -0.588 176.086 176.870 -0.326 0.000 0.991 291 L CA -0.261 54.469 54.840 -0.183 0.000 0.851 291 L CB 1.026 43.047 42.059 -0.065 0.000 1.218 291 L HN 0.453 nan 8.230 nan 0.000 0.420 292 H N 5.428 124.188 119.070 -0.517 0.000 2.620 292 H HA 0.557 5.294 4.556 0.302 0.000 0.313 292 H C -0.862 174.338 175.328 -0.213 0.000 1.075 292 H CA -0.393 55.317 56.048 -0.563 0.000 1.397 292 H CB 0.733 29.887 29.762 -1.013 0.000 1.446 292 H HN 0.500 nan 8.280 nan 0.000 0.493 293 I N 5.925 126.105 120.570 -0.651 0.000 2.339 293 I HA 0.115 4.466 4.170 0.302 0.000 0.290 293 I C 0.078 175.962 176.117 -0.388 0.000 0.994 293 I CA -0.430 60.629 61.300 -0.402 0.000 1.191 293 I CB 0.819 38.574 38.000 -0.409 0.000 1.343 293 I HN 0.724 nan 8.210 nan 0.000 0.458 294 H N 7.535 126.465 119.070 -0.233 0.000 2.473 294 H HA 0.312 5.049 4.556 0.302 0.000 0.327 294 H C 0.352 175.621 175.328 -0.099 0.000 1.105 294 H CA -0.464 55.428 56.048 -0.261 0.000 1.280 294 H CB 1.401 31.075 29.762 -0.146 0.000 1.450 294 H HN 0.575 nan 8.280 nan 0.000 0.492 295 R N 3.238 123.538 120.500 -0.334 0.000 2.752 295 R HA 0.400 4.921 4.340 0.302 0.000 0.279 295 R C 0.169 176.524 176.300 0.092 0.000 1.212 295 R CA -0.428 55.690 56.100 0.030 0.000 1.169 295 R CB -0.149 30.116 30.300 -0.059 0.000 1.286 295 R HN 0.372 nan 8.270 nan 0.000 0.564 296 A N 2.164 125.143 122.820 0.266 0.000 2.603 296 A HA 0.060 4.561 4.320 0.302 0.000 0.235 296 A C 1.146 178.751 177.584 0.035 0.000 1.035 296 A CA 0.962 53.121 52.037 0.204 0.000 0.755 296 A CB -0.378 18.696 19.000 0.124 0.000 0.954 296 A HN 0.979 nan 8.150 nan 0.000 0.511 297 M N 0.712 120.304 119.600 -0.013 0.000 2.931 297 M HA -0.335 4.326 4.480 0.302 0.000 0.190 297 M C 0.528 176.752 176.300 -0.126 0.000 0.626 297 M CA 2.494 57.737 55.300 -0.096 0.000 0.722 297 M CB -2.655 29.885 32.600 -0.100 0.000 2.597 297 M HN 1.286 nan 8.290 nan 0.000 0.299 298 H N -0.189 118.816 119.070 -0.107 0.000 2.387 298 H HA 0.366 5.103 4.556 0.302 0.000 0.299 298 H C 1.929 177.205 175.328 -0.086 0.000 1.090 298 H CA 1.966 57.963 56.048 -0.085 0.000 1.332 298 H CB -0.590 29.152 29.762 -0.033 0.000 1.386 298 H HN 0.613 nan 8.280 nan 0.000 0.516 299 A N 1.117 123.369 122.820 -0.946 0.000 2.067 299 A HA -0.027 4.474 4.320 0.302 0.000 0.219 299 A C 2.465 179.885 177.584 -0.273 0.000 1.158 299 A CA 1.162 52.832 52.037 -0.611 0.000 0.661 299 A CB -0.767 17.871 19.000 -0.603 0.000 0.801 299 A HN 0.365 nan 8.150 nan 0.000 0.452 300 V N -0.250 119.532 119.914 -0.221 0.000 2.594 300 V HA -0.224 4.077 4.120 0.302 0.000 0.253 300 V C 2.169 178.206 176.094 -0.096 0.000 1.069 300 V CA 2.029 64.249 62.300 -0.133 0.000 1.082 300 V CB -0.497 31.257 31.823 -0.116 0.000 0.680 300 V HN 0.615 nan 8.190 nan 0.000 0.469 301 I N 0.471 120.978 120.570 -0.104 0.000 3.172 301 I HA 0.008 4.360 4.170 0.302 0.000 0.278 301 I C 1.623 177.711 176.117 -0.049 0.000 1.174 301 I CA 0.930 62.183 61.300 -0.079 0.000 1.445 301 I CB -0.092 37.844 38.000 -0.107 0.000 1.175 301 I HN 0.434 nan 8.210 nan 0.000 0.447 302 D N -0.198 120.175 120.400 -0.045 0.000 2.395 302 D HA -0.027 4.794 4.640 0.302 0.000 0.213 302 D C 1.784 178.057 176.300 -0.045 0.000 1.110 302 D CA -0.054 53.928 54.000 -0.030 0.000 0.835 302 D CB 0.071 40.878 40.800 0.012 0.000 0.965 302 D HN -0.051 nan 8.370 nan 0.000 0.505 303 R N 0.397 120.867 120.500 -0.050 0.000 2.057 303 R HA 0.025 4.546 4.340 0.302 0.000 0.229 303 R C 0.488 176.794 176.300 0.011 0.000 1.136 303 R CA 1.175 57.253 56.100 -0.037 0.000 0.952 303 R CB -0.238 30.023 30.300 -0.064 0.000 0.848 303 R HN 0.062 nan 8.270 nan 0.000 0.430 304 Q N 0.904 120.723 119.800 0.031 0.000 2.314 304 Q HA 0.013 4.535 4.340 0.302 0.000 0.258 304 Q C 0.276 176.333 176.000 0.094 0.000 0.954 304 Q CA 0.178 56.019 55.803 0.063 0.000 0.890 304 Q CB 1.375 30.156 28.738 0.071 0.000 1.210 304 Q HN 0.224 nan 8.270 nan 0.000 0.410 305 K N 2.550 123.009 120.400 0.097 0.000 2.211 305 K HA -0.141 4.361 4.320 0.302 0.000 0.203 305 K C 1.215 177.884 176.600 0.114 0.000 1.050 305 K CA 1.390 57.745 56.287 0.114 0.000 0.945 305 K CB 0.305 32.865 32.500 0.099 0.000 0.732 305 K HN 0.590 nan 8.250 nan 0.000 0.451 306 N N -0.809 117.962 118.700 0.117 0.000 2.415 306 N HA -0.107 4.815 4.740 0.302 0.000 0.176 306 N C -0.283 175.349 175.510 0.203 0.000 1.042 306 N CA 0.639 53.768 53.050 0.132 0.000 0.902 306 N CB 0.073 38.627 38.487 0.112 0.000 0.986 306 N HN 0.211 nan 8.380 nan 0.000 0.447 307 H N -1.437 117.694 119.070 0.102 0.000 2.954 307 H HA 0.572 5.309 4.556 0.302 0.000 0.361 307 H C 0.149 175.566 175.328 0.149 0.000 1.122 307 H CA 0.433 56.570 56.048 0.148 0.000 1.217 307 H CB 1.603 31.439 29.762 0.123 0.000 1.776 307 H HN 0.325 nan 8.280 nan 0.000 0.533 308 G N 2.303 111.055 108.800 -0.081 0.000 2.301 308 G HA2 -0.024 4.118 3.960 0.302 0.000 0.194 308 G HA3 -0.024 4.118 3.960 0.302 0.000 0.194 308 G C -1.430 173.469 174.900 -0.002 0.000 1.266 308 G CA -0.339 44.737 45.100 -0.039 0.000 1.210 308 G HN 0.642 nan 8.290 nan 0.000 0.524 309 M N 0.802 120.379 119.600 -0.037 0.000 2.324 309 M HA 0.371 5.032 4.480 0.302 0.000 0.288 309 M C -0.389 175.932 176.300 0.037 0.000 1.097 309 M CA -0.799 54.490 55.300 -0.020 0.000 0.928 309 M CB 2.365 34.875 32.600 -0.150 0.000 1.648 309 M HN 0.764 nan 8.290 nan 0.000 0.460 310 H N 1.908 120.991 119.070 0.022 0.000 2.690 310 H HA 0.074 4.811 4.556 0.302 0.000 0.365 310 H C 0.114 175.490 175.328 0.080 0.000 1.142 310 H CA 0.743 56.839 56.048 0.081 0.000 1.417 310 H CB 0.886 30.704 29.762 0.094 0.000 1.446 310 H HN 0.776 nan 8.280 nan 0.000 0.599 311 F N 4.690 124.420 119.950 -0.366 0.000 2.250 311 F HA -0.187 4.521 4.527 0.302 0.000 0.301 311 F C 2.564 178.314 175.800 -0.084 0.000 1.077 311 F CA 1.576 59.435 58.000 -0.235 0.000 1.348 311 F CB -0.100 38.617 39.000 -0.472 0.000 1.040 311 F HN 0.671 nan 8.300 nan 0.000 0.509 312 R N -0.481 120.122 120.500 0.173 0.000 2.152 312 R HA -0.104 4.417 4.340 0.302 0.000 0.232 312 R C 1.712 177.987 176.300 -0.041 0.000 1.117 312 R CA 1.808 57.929 56.100 0.035 0.000 0.981 312 R CB -1.342 29.131 30.300 0.290 0.000 0.870 312 R HN 0.297 nan 8.270 nan 0.000 0.451 313 V N 1.723 121.647 119.914 0.016 0.000 2.407 313 V HA -0.130 4.171 4.120 0.302 0.000 0.245 313 V C 2.410 178.542 176.094 0.062 0.000 1.041 313 V CA 1.334 63.670 62.300 0.060 0.000 1.040 313 V CB -0.352 31.524 31.823 0.089 0.000 0.671 313 V HN 0.263 nan 8.190 nan 0.000 0.455 314 L N 0.154 121.331 121.223 -0.078 0.000 2.141 314 L HA -0.100 4.421 4.340 0.302 0.000 0.209 314 L C 2.690 179.492 176.870 -0.115 0.000 1.094 314 L CA 1.346 56.191 54.840 0.010 0.000 0.763 314 L CB -0.741 41.294 42.059 -0.040 0.000 0.908 314 L HN 0.357 nan 8.230 nan 0.000 0.437 315 A N 0.252 122.730 122.820 -0.570 0.000 1.873 315 A HA -0.180 4.321 4.320 0.302 0.000 0.215 315 A C 2.342 179.835 177.584 -0.152 0.000 1.186 315 A CA 1.398 53.132 52.037 -0.506 0.000 0.616 315 A CB -0.274 18.316 19.000 -0.683 0.000 0.823 315 A HN 0.267 nan 8.150 nan 0.000 0.442 316 K N -0.228 120.156 120.400 -0.027 0.000 2.057 316 K HA -0.087 4.415 4.320 0.302 0.000 0.207 316 K C 2.301 178.936 176.600 0.058 0.000 1.049 316 K CA 1.110 57.484 56.287 0.145 0.000 0.931 316 K CB -0.345 32.269 32.500 0.189 0.000 0.714 316 K HN 0.437 nan 8.250 nan 0.000 0.440 317 A N 1.909 124.749 122.820 0.033 0.000 1.908 317 A HA -0.170 4.331 4.320 0.302 0.000 0.218 317 A C 2.055 179.685 177.584 0.075 0.000 1.181 317 A CA 1.142 53.158 52.037 -0.035 0.000 0.627 317 A CB -0.562 18.516 19.000 0.131 0.000 0.818 317 A HN 0.248 nan 8.150 nan 0.000 0.445 318 L N -0.330 120.977 121.223 0.140 0.000 2.056 318 L HA -0.104 4.417 4.340 0.302 0.000 0.207 318 L C 2.445 179.257 176.870 -0.095 0.000 1.078 318 L CA 2.292 57.128 54.840 -0.006 0.000 0.749 318 L CB -0.876 40.980 42.059 -0.338 0.000 0.901 318 L HN 0.548 nan 8.230 nan 0.000 0.433 319 R N -0.461 119.958 120.500 -0.136 0.000 2.152 319 R HA -0.157 4.364 4.340 0.302 0.000 0.232 319 R C 2.304 178.526 176.300 -0.129 0.000 1.117 319 R CA 1.206 57.186 56.100 -0.201 0.000 0.981 319 R CB -0.015 30.032 30.300 -0.421 0.000 0.870 319 R HN 0.421 nan 8.270 nan 0.000 0.451 320 L N -0.926 120.215 121.223 -0.136 0.000 2.049 320 L HA -0.070 4.451 4.340 0.302 0.000 0.203 320 L C 2.582 179.414 176.870 -0.063 0.000 1.074 320 L CA 1.199 55.866 54.840 -0.288 0.000 0.749 320 L CB -0.623 40.898 42.059 -0.897 0.000 0.907 320 L HN 0.206 nan 8.230 nan 0.000 0.439 321 S N -0.632 115.071 115.700 0.004 0.000 2.359 321 S HA -0.018 4.633 4.470 0.302 0.000 0.224 321 S C 0.862 175.528 174.600 0.109 0.000 1.035 321 S CA 1.184 59.481 58.200 0.161 0.000 1.018 321 S CB -0.314 63.055 63.200 0.282 0.000 0.876 321 S HN 0.621 nan 8.310 nan 0.000 0.448 322 G N -1.631 107.192 108.800 0.038 0.000 3.101 322 G HA2 0.432 4.573 3.960 0.302 0.000 0.672 322 G HA3 0.432 4.573 3.960 0.302 0.000 0.672 322 G C -0.322 174.550 174.900 -0.047 0.000 1.331 322 G CA -0.441 44.662 45.100 0.005 0.000 0.925 322 G HN 1.109 nan 8.290 nan 0.000 0.596 323 G N 0.628 109.380 108.800 -0.080 0.000 2.691 323 G HA2 0.586 4.727 3.960 0.302 0.000 0.298 323 G HA3 0.586 4.727 3.960 0.302 0.000 0.298 323 G C -0.138 174.705 174.900 -0.095 0.000 1.471 323 G CA 0.194 45.224 45.100 -0.117 0.000 0.912 323 G HN 0.359 nan 8.290 nan 0.000 0.553 324 D N -0.176 120.167 120.400 -0.095 0.000 2.271 324 D HA 0.085 4.906 4.640 0.302 0.000 0.206 324 D C 0.468 176.834 176.300 0.110 0.000 0.967 324 D CA 1.091 55.077 54.000 -0.023 0.000 0.867 324 D CB 0.365 41.130 40.800 -0.058 0.000 0.960 324 D HN 0.594 nan 8.370 nan 0.000 0.509 325 H N -0.969 117.995 119.070 -0.176 0.000 2.865 325 H HA 0.654 5.391 4.556 0.302 0.000 0.372 325 H C -0.802 174.354 175.328 -0.288 0.000 1.173 325 H CA -0.892 55.040 56.048 -0.194 0.000 1.147 325 H CB 3.183 32.848 29.762 -0.161 0.000 1.805 325 H HN -0.166 nan 8.280 nan 0.000 0.553 326 I N 1.248 121.765 120.570 -0.088 0.000 2.731 326 I HA 0.102 4.453 4.170 0.302 0.000 0.289 326 I C -0.847 175.265 176.117 -0.008 0.000 1.399 326 I CA -0.439 60.792 61.300 -0.114 0.000 1.048 326 I CB 1.815 39.741 38.000 -0.123 0.000 1.345 326 I HN 0.705 nan 8.210 nan 0.000 0.425 327 H N 4.973 123.924 119.070 -0.197 0.000 2.848 327 H HA 0.132 4.870 4.556 0.303 0.000 0.341 327 H C 0.542 175.770 175.328 -0.167 0.000 1.060 327 H CA 0.599 56.528 56.048 -0.198 0.000 1.444 327 H CB 1.094 30.672 29.762 -0.305 0.000 1.446 327 H HN 0.661 nan 8.280 nan 0.000 0.583 328 S N 1.643 117.333 115.700 -0.016 0.000 2.632 328 S HA 0.328 4.979 4.470 0.302 0.000 0.237 328 S C 0.905 175.600 174.600 0.159 0.000 1.037 328 S CA 0.078 58.380 58.200 0.169 0.000 1.009 328 S CB 1.142 64.576 63.200 0.391 0.000 0.974 328 S HN 1.091 nan 8.310 nan 0.000 0.544 329 G N 1.058 109.851 108.800 -0.011 0.000 2.612 329 G HA2 0.001 4.142 3.960 0.302 0.000 0.686 329 G HA3 0.001 4.142 3.960 0.302 0.000 0.686 329 G C 0.225 175.178 174.900 0.089 0.000 1.274 329 G CA 0.202 45.317 45.100 0.025 0.000 0.849 329 G HN 0.960 nan 8.290 nan 0.000 0.595 330 T N -3.436 111.155 114.554 0.062 0.000 2.955 330 T HA 0.467 4.999 4.350 0.302 0.000 0.251 330 T C 1.784 176.551 174.700 0.112 0.000 1.002 330 T CA 1.489 63.644 62.100 0.091 0.000 0.970 330 T CB 0.466 69.278 68.868 -0.094 0.000 1.091 330 T HN 2.296 nan 8.240 nan 0.000 0.495 331 V N 0.629 120.577 119.914 0.057 0.000 0.466 331 V HA -0.324 3.978 4.120 0.302 0.000 0.092 331 V C 2.010 178.106 176.094 0.004 0.000 2.464 331 V CA 1.870 64.186 62.300 0.026 0.000 3.676 331 V CB -1.870 29.949 31.823 -0.007 0.000 0.954 331 V HN 0.740 nan 8.190 nan 0.000 1.001 332 V N -0.900 118.988 119.914 -0.043 0.000 3.650 332 V HA 0.662 4.963 4.120 0.302 0.000 0.271 332 V C 1.295 177.304 176.094 -0.143 0.000 1.281 332 V CA 1.345 63.596 62.300 -0.081 0.000 1.120 332 V CB -0.092 31.644 31.823 -0.145 0.000 0.856 332 V HN 0.923 nan 8.190 nan 0.000 0.443 333 G N 1.473 110.159 108.800 -0.189 0.000 2.494 333 G HA2 0.228 4.369 3.960 0.302 0.000 0.270 333 G HA3 0.228 4.369 3.960 0.302 0.000 0.270 333 G C 0.766 175.409 174.900 -0.428 0.000 1.423 333 G CA 0.061 44.997 45.100 -0.273 0.000 1.055 333 G HN 0.541 nan 8.290 nan 0.000 0.536 334 K N -1.265 118.650 120.400 -0.809 0.000 2.432 334 K HA 0.142 4.643 4.320 0.302 0.000 0.196 334 K C 0.356 176.746 176.600 -0.350 0.000 1.038 334 K CA 0.423 56.156 56.287 -0.923 0.000 0.986 334 K CB -0.208 31.752 32.500 -0.901 0.000 0.782 334 K HN 0.206 nan 8.250 nan 0.000 0.485 335 L N 1.914 123.000 121.223 -0.229 0.000 2.331 335 L HA 0.296 4.817 4.340 0.302 0.000 0.275 335 L C 0.032 176.869 176.870 -0.056 0.000 1.022 335 L CA -1.045 53.722 54.840 -0.121 0.000 0.812 335 L CB 1.792 43.794 42.059 -0.095 0.000 1.257 335 L HN 0.134 nan 8.230 nan 0.000 0.435 336 E N 1.136 121.320 120.200 -0.028 0.000 2.413 336 E HA 0.403 4.934 4.350 0.302 0.000 0.263 336 E C -0.354 176.271 176.600 0.040 0.000 1.015 336 E CA 0.063 56.473 56.400 0.017 0.000 0.916 336 E CB 0.779 30.488 29.700 0.015 0.000 0.947 336 E HN 0.762 nan 8.360 nan 0.000 0.440 337 G N 3.895 112.734 108.800 0.066 0.000 2.139 337 G HA2 0.044 4.185 3.960 0.302 0.000 0.315 337 G HA3 0.044 4.185 3.960 0.302 0.000 0.315 337 G C -1.223 173.724 174.900 0.079 0.000 1.599 337 G CA -0.736 44.422 45.100 0.097 0.000 0.960 337 G HN 0.406 nan 8.290 nan 0.000 0.615 338 E N 1.626 121.881 120.200 0.093 0.000 2.331 338 E HA 0.211 4.742 4.350 0.302 0.000 0.272 338 E C 1.310 177.908 176.600 -0.004 0.000 1.036 338 E CA -0.651 55.781 56.400 0.054 0.000 0.864 338 E CB 2.338 32.083 29.700 0.076 0.000 1.035 338 E HN 0.656 nan 8.360 nan 0.000 0.408 339 R N 2.525 123.004 120.500 -0.035 0.000 2.097 339 R HA -0.198 4.324 4.340 0.302 0.000 0.236 339 R C 0.990 177.215 176.300 -0.124 0.000 1.135 339 R CA 2.032 58.075 56.100 -0.096 0.000 0.934 339 R CB 0.075 30.326 30.300 -0.081 0.000 0.846 339 R HN 0.470 nan 8.270 nan 0.000 0.431 340 D N 0.318 120.670 120.400 -0.080 0.000 2.117 340 D HA -0.164 4.657 4.640 0.302 0.000 0.197 340 D C 2.013 178.254 176.300 -0.099 0.000 0.987 340 D CA 1.360 55.310 54.000 -0.083 0.000 0.829 340 D CB -0.198 40.573 40.800 -0.048 0.000 0.961 340 D HN 0.363 nan 8.370 nan 0.000 0.460 341 I N 0.975 121.514 120.570 -0.051 0.000 2.226 341 I HA -0.233 4.118 4.170 0.302 0.000 0.245 341 I C 2.281 178.240 176.117 -0.262 0.000 1.100 341 I CA 1.039 62.335 61.300 -0.007 0.000 1.374 341 I CB -0.320 37.792 38.000 0.187 0.000 1.057 341 I HN -0.005 nan 8.210 nan 0.000 0.413 342 T N 1.196 115.511 114.554 -0.399 0.000 2.708 342 T HA -0.128 4.403 4.350 0.302 0.000 0.266 342 T C 1.866 176.081 174.700 -0.808 0.000 1.037 342 T CA 1.014 62.555 62.100 -0.931 0.000 1.146 342 T CB -0.210 68.427 68.868 -0.385 0.000 0.865 342 T HN 0.063 nan 8.240 nan 0.000 0.435 343 L N 1.350 122.318 121.223 -0.424 0.000 2.127 343 L HA 0.029 4.550 4.340 0.302 0.000 0.211 343 L C 2.693 179.434 176.870 -0.214 0.000 1.089 343 L CA 1.532 56.201 54.840 -0.286 0.000 0.757 343 L CB -1.583 40.355 42.059 -0.202 0.000 0.899 343 L HN 0.364 nan 8.230 nan 0.000 0.434 344 G N -0.352 108.319 108.800 -0.215 0.000 2.433 344 G HA2 -0.312 3.829 3.960 0.302 0.000 0.216 344 G HA3 -0.312 3.829 3.960 0.302 0.000 0.216 344 G C 1.357 176.276 174.900 0.033 0.000 1.186 344 G CA 0.917 45.973 45.100 -0.073 0.000 0.779 344 G HN 0.478 nan 8.290 nan 0.000 0.543 345 F N 0.505 120.534 119.950 0.132 0.000 2.661 345 F HA 0.290 4.998 4.527 0.302 0.000 0.298 345 F C 2.073 177.952 175.800 0.131 0.000 1.137 345 F CA -0.224 57.865 58.000 0.149 0.000 1.454 345 F CB -0.764 38.366 39.000 0.216 0.000 1.103 345 F HN -0.010 nan 8.300 nan 0.000 0.577 346 V N 1.096 121.096 119.914 0.144 0.000 2.453 346 V HA -0.215 4.086 4.120 0.302 0.000 0.247 346 V C 2.037 178.202 176.094 0.118 0.000 1.048 346 V CA 2.153 64.562 62.300 0.183 0.000 1.049 346 V CB -0.604 31.276 31.823 0.096 0.000 0.672 346 V HN 0.216 nan 8.190 nan 0.000 0.457 347 D N 0.130 120.577 120.400 0.077 0.000 2.144 347 D HA -0.090 4.731 4.640 0.302 0.000 0.200 347 D C 2.079 178.440 176.300 0.101 0.000 0.978 347 D CA 1.064 55.107 54.000 0.072 0.000 0.833 347 D CB -0.195 40.638 40.800 0.055 0.000 0.961 347 D HN 0.327 nan 8.370 nan 0.000 0.470 348 L N 0.049 121.367 121.223 0.158 0.000 2.275 348 L HA -0.083 4.438 4.340 0.302 0.000 0.215 348 L C 2.252 179.144 176.870 0.038 0.000 1.119 348 L CA 0.449 55.425 54.840 0.227 0.000 0.790 348 L CB -0.102 42.135 42.059 0.297 0.000 0.919 348 L HN 0.053 nan 8.230 nan 0.000 0.443 349 L N -1.207 120.017 121.223 0.001 0.000 2.249 349 L HA -0.024 4.498 4.340 0.302 0.000 0.207 349 L C 2.582 179.331 176.870 -0.202 0.000 1.090 349 L CA 0.726 55.483 54.840 -0.137 0.000 0.802 349 L CB -0.117 41.944 42.059 0.003 0.000 0.947 349 L HN 0.158 nan 8.230 nan 0.000 0.453 350 R N -0.911 119.533 120.500 -0.094 0.000 2.146 350 R HA 0.086 4.607 4.340 0.302 0.000 0.206 350 R C 0.007 176.264 176.300 -0.072 0.000 1.049 350 R CA 0.026 56.081 56.100 -0.075 0.000 1.029 350 R CB 0.140 30.440 30.300 -0.000 0.000 0.949 350 R HN 0.206 nan 8.270 nan 0.000 0.471 351 D N 0.532 120.918 120.400 -0.024 0.000 2.383 351 D HA -0.011 4.810 4.640 0.302 0.000 0.248 351 D C 0.231 176.592 176.300 0.100 0.000 1.170 351 D CA 0.067 54.100 54.000 0.054 0.000 0.977 351 D CB 0.914 41.783 40.800 0.115 0.000 1.120 351 D HN -0.067 nan 8.370 nan 0.000 0.481 352 D N -1.589 118.933 120.400 0.203 0.000 2.346 352 D HA -0.045 4.777 4.640 0.302 0.000 0.206 352 D C -0.782 175.811 176.300 0.488 0.000 1.001 352 D CA 0.264 54.458 54.000 0.323 0.000 0.871 352 D CB 0.266 41.198 40.800 0.220 0.000 0.943 352 D HN 0.303 nan 8.370 nan 0.000 0.518 353 Y N -0.481 119.963 120.300 0.239 0.000 2.442 353 Y HA 0.428 5.159 4.550 0.302 0.000 0.330 353 Y C -1.622 174.374 175.900 0.160 0.000 1.100 353 Y CA -0.740 57.468 58.100 0.181 0.000 1.034 353 Y CB 1.825 40.349 38.460 0.107 0.000 1.285 353 Y HN -0.300 nan 8.280 nan 0.000 0.440 354 T N 5.740 120.081 114.554 -0.355 0.000 2.937 354 T HA 0.302 4.833 4.350 0.302 0.000 0.297 354 T C -0.968 173.464 174.700 -0.448 0.000 0.991 354 T CA -0.816 61.137 62.100 -0.245 0.000 0.990 354 T CB 1.287 70.153 68.868 -0.003 0.000 0.991 354 T HN 0.588 nan 8.240 nan 0.000 0.440 355 E N 1.880 121.875 120.200 -0.343 0.000 2.349 355 E HA 0.208 4.739 4.350 0.302 0.000 0.265 355 E C 0.199 176.741 176.600 -0.097 0.000 1.064 355 E CA -0.738 55.523 56.400 -0.230 0.000 0.886 355 E CB 1.123 30.785 29.700 -0.064 0.000 1.036 355 E HN 0.417 nan 8.360 nan 0.000 0.413 356 K N 2.011 122.377 120.400 -0.057 0.000 2.550 356 K HA -0.142 4.360 4.320 0.302 0.000 0.280 356 K C -0.805 175.762 176.600 -0.055 0.000 0.987 356 K CA 0.789 57.054 56.287 -0.037 0.000 1.048 356 K CB 0.294 32.783 32.500 -0.018 0.000 0.879 356 K HN 0.362 nan 8.250 nan 0.000 0.491 357 D N 3.742 124.093 120.400 -0.082 0.000 2.362 357 D HA 0.139 4.960 4.640 0.302 0.000 0.232 357 D C 0.185 176.398 176.300 -0.144 0.000 1.329 357 D CA -0.471 53.476 54.000 -0.089 0.000 0.944 357 D CB 0.557 41.322 40.800 -0.058 0.000 1.471 357 D HN 0.485 nan 8.370 nan 0.000 0.533 358 R N 0.774 121.159 120.500 -0.191 0.000 2.241 358 R HA -0.054 4.468 4.340 0.302 0.000 0.224 358 R C 1.721 177.905 176.300 -0.194 0.000 1.101 358 R CA 1.055 56.984 56.100 -0.284 0.000 0.995 358 R CB -0.469 29.663 30.300 -0.281 0.000 0.870 358 R HN 0.486 nan 8.270 nan 0.000 0.463 359 S N -0.072 115.555 115.700 -0.121 0.000 2.481 359 S HA 0.002 4.653 4.470 0.302 0.000 0.231 359 S C 1.505 176.062 174.600 -0.072 0.000 0.996 359 S CA 0.426 58.577 58.200 -0.082 0.000 0.942 359 S CB 0.067 63.231 63.200 -0.058 0.000 0.768 359 S HN 0.249 nan 8.310 nan 0.000 0.520 360 R N 0.198 120.649 120.500 -0.082 0.000 2.543 360 R HA 0.322 4.843 4.340 0.302 0.000 0.323 360 R C 1.122 177.391 176.300 -0.053 0.000 1.002 360 R CA 0.313 56.378 56.100 -0.060 0.000 1.106 360 R CB 0.464 30.732 30.300 -0.054 0.000 1.280 360 R HN 0.509 nan 8.270 nan 0.000 0.549 361 G N 1.800 110.539 108.800 -0.101 0.000 2.148 361 G HA2 -0.272 3.869 3.960 0.302 0.000 0.254 361 G HA3 -0.272 3.869 3.960 0.302 0.000 0.254 361 G C 0.145 175.036 174.900 -0.014 0.000 0.981 361 G CA -0.099 44.952 45.100 -0.083 0.000 0.670 361 G HN 0.280 nan 8.290 nan 0.000 0.528 362 I N 0.892 121.419 120.570 -0.073 0.000 2.281 362 I HA 0.315 4.666 4.170 0.302 0.000 0.293 362 I C 1.280 177.347 176.117 -0.082 0.000 1.085 362 I CA -0.913 60.398 61.300 0.018 0.000 1.257 362 I CB 0.454 38.462 38.000 0.013 0.000 1.430 362 I HN 0.063 nan 8.210 nan 0.000 0.489 363 Y N 5.297 125.494 120.300 -0.172 0.000 2.475 363 Y HA 0.136 4.867 4.550 0.302 0.000 0.289 363 Y C 0.291 175.848 175.900 -0.572 0.000 1.121 363 Y CA 0.532 58.389 58.100 -0.404 0.000 1.257 363 Y CB -0.061 38.014 38.460 -0.642 0.000 1.026 363 Y HN 0.304 nan 8.280 nan 0.000 0.555 364 F N -1.873 118.197 119.950 0.199 0.000 2.588 364 F HA 0.414 5.122 4.527 0.302 0.000 0.314 364 F C 0.212 176.018 175.800 0.009 0.000 1.069 364 F CA -1.715 56.351 58.000 0.110 0.000 0.931 364 F CB 1.003 40.068 39.000 0.107 0.000 1.260 364 F HN -0.509 nan 8.300 nan 0.000 0.465 365 T N 1.591 116.247 114.554 0.170 0.000 2.884 365 T HA 0.324 4.855 4.350 0.302 0.000 0.298 365 T C -0.583 174.083 174.700 -0.057 0.000 0.998 365 T CA -0.115 61.968 62.100 -0.029 0.000 1.124 365 T CB 0.788 69.630 68.868 -0.042 0.000 0.931 365 T HN 0.450 nan 8.240 nan 0.000 0.531 366 Q N 2.050 121.744 119.800 -0.175 0.000 2.321 366 Q HA 0.528 5.049 4.340 0.302 0.000 0.270 366 Q C -1.251 174.587 176.000 -0.269 0.000 1.032 366 Q CA -0.391 55.274 55.803 -0.230 0.000 0.784 366 Q CB 1.482 30.104 28.738 -0.193 0.000 1.264 366 Q HN 0.589 nan 8.270 nan 0.000 0.448 367 S N 3.168 118.703 115.700 -0.276 0.000 2.537 367 S HA 0.465 5.116 4.470 0.302 0.000 0.301 367 S C -0.749 173.651 174.600 -0.334 0.000 1.092 367 S CA -0.516 57.636 58.200 -0.080 0.000 1.048 367 S CB 0.578 63.833 63.200 0.091 0.000 1.053 367 S HN 0.815 nan 8.310 nan 0.000 0.501 368 W N 0.879 122.226 121.300 0.079 0.000 2.870 368 W HA 0.229 5.071 4.660 0.303 0.000 0.358 368 W C 0.452 176.993 176.519 0.037 0.000 1.043 368 W CA -0.527 56.841 57.345 0.039 0.000 1.692 368 W CB -0.200 29.277 29.460 0.028 0.000 1.100 368 W HN 0.587 nan 8.180 nan 0.000 0.557 369 V N -0.028 120.007 119.914 0.202 0.000 5.637 369 V HA -0.369 3.932 4.120 0.302 0.000 0.246 369 V C 0.694 176.871 176.094 0.139 0.000 0.678 369 V CA 0.699 63.081 62.300 0.136 0.000 0.578 369 V CB -2.507 29.368 31.823 0.088 0.000 0.235 369 V HN 0.479 nan 8.190 nan 0.000 0.609 370 S N -1.539 114.254 115.700 0.155 0.000 3.490 370 S HA -0.193 4.459 4.470 0.302 0.000 0.301 370 S C 0.642 175.304 174.600 0.104 0.000 1.233 370 S CA 1.282 59.550 58.200 0.113 0.000 0.914 370 S CB -1.666 61.579 63.200 0.076 0.000 1.047 370 S HN 1.446 nan 8.310 nan 0.000 0.602 371 T N 3.494 118.141 114.554 0.154 0.000 2.870 371 T HA 0.347 4.878 4.350 0.302 0.000 0.300 371 T C -1.857 172.847 174.700 0.007 0.000 0.989 371 T CA -0.638 61.525 62.100 0.104 0.000 1.139 371 T CB 0.497 69.484 68.868 0.199 0.000 0.920 371 T HN 0.045 nan 8.240 nan 0.000 0.537 372 P HA 0.197 nan 4.420 nan 0.000 0.268 372 P C 0.357 177.585 177.300 -0.119 0.000 1.208 372 P CA -0.138 62.937 63.100 -0.042 0.000 0.777 372 P CB 0.375 32.062 31.700 -0.021 0.000 0.875 373 G N 0.835 109.576 108.800 -0.099 0.000 2.507 373 G HA2 0.459 4.600 3.960 0.302 0.000 0.271 373 G HA3 0.459 4.600 3.960 0.302 0.000 0.271 373 G C -0.899 173.937 174.900 -0.106 0.000 1.189 373 G CA -0.384 44.630 45.100 -0.145 0.000 0.859 373 G HN 0.360 nan 8.290 nan 0.000 0.542 374 V N 1.407 121.246 119.914 -0.126 0.000 2.513 374 V HA 0.311 4.612 4.120 0.302 0.000 0.299 374 V C 0.337 176.408 176.094 -0.038 0.000 1.035 374 V CA -0.725 61.528 62.300 -0.078 0.000 0.889 374 V CB 1.696 33.447 31.823 -0.121 0.000 0.988 374 V HN 0.577 nan 8.190 nan 0.000 0.440 375 L N 7.579 128.797 121.223 -0.008 0.000 2.361 375 L HA 0.309 4.830 4.340 0.302 0.000 0.278 375 L C -1.963 174.853 176.870 -0.090 0.000 1.113 375 L CA -1.298 53.509 54.840 -0.055 0.000 0.849 375 L CB 1.494 43.476 42.059 -0.128 0.000 1.155 375 L HN 0.443 nan 8.230 nan 0.000 0.452 376 P HA 0.134 nan 4.420 nan 0.000 0.279 376 P C -0.969 176.190 177.300 -0.234 0.000 1.239 376 P CA -0.301 62.757 63.100 -0.070 0.000 0.789 376 P CB 1.784 33.516 31.700 0.054 0.000 0.933 377 V N 2.646 122.395 119.914 -0.274 0.000 2.378 377 V HA 0.495 4.796 4.120 0.302 0.000 0.288 377 V C 0.435 176.223 176.094 -0.510 0.000 1.016 377 V CA -0.815 61.238 62.300 -0.411 0.000 0.840 377 V CB 1.214 32.775 31.823 -0.436 0.000 0.994 377 V HN 0.695 nan 8.190 nan 0.000 0.431 378 A N 3.906 126.362 122.820 -0.607 0.000 2.276 378 A HA 0.823 5.324 4.320 0.302 0.000 0.300 378 A C 0.062 177.373 177.584 -0.456 0.000 1.235 378 A CA -0.188 51.504 52.037 -0.575 0.000 0.867 378 A CB 0.972 19.505 19.000 -0.778 0.000 1.137 378 A HN 0.865 nan 8.150 nan 0.000 0.527 379 S N 1.547 117.042 115.700 -0.342 0.000 2.537 379 S HA 0.752 5.403 4.470 0.302 0.000 0.270 379 S C -0.516 173.970 174.600 -0.190 0.000 1.142 379 S CA 0.429 58.455 58.200 -0.291 0.000 0.870 379 S CB 1.375 64.447 63.200 -0.213 0.000 1.112 379 S HN 2.617 nan 8.310 nan 0.000 0.466 380 G N 1.440 110.119 108.800 -0.202 0.000 3.199 380 G HA2 0.442 4.584 3.960 0.302 0.000 0.680 380 G HA3 0.442 4.584 3.960 0.302 0.000 0.680 380 G C 0.890 175.646 174.900 -0.240 0.000 1.197 380 G CA 0.342 45.340 45.100 -0.170 0.000 1.143 380 G HN 2.181 nan 8.290 nan 0.000 0.492 381 G N 0.341 109.023 108.800 -0.197 0.000 2.198 381 G HA2 -0.020 4.121 3.960 0.302 0.000 0.260 381 G HA3 -0.020 4.121 3.960 0.302 0.000 0.260 381 G C 0.603 175.493 174.900 -0.016 0.000 1.025 381 G CA 1.064 46.053 45.100 -0.184 0.000 0.769 381 G HN 2.275 nan 8.290 nan 0.000 0.507 382 I N -2.269 118.257 120.570 -0.073 0.000 2.607 382 I HA 0.959 5.310 4.170 0.302 0.000 0.305 382 I C 0.195 176.487 176.117 0.291 0.000 0.995 382 I CA -1.451 59.867 61.300 0.029 0.000 1.148 382 I CB 1.759 39.629 38.000 -0.216 0.000 1.323 382 I HN 0.309 nan 8.210 nan 0.000 0.461 383 H N 1.222 120.633 119.070 0.567 0.000 2.943 383 H HA 0.460 5.196 4.556 0.301 0.000 0.323 383 H C 0.712 176.154 175.328 0.190 0.000 1.296 383 H CA -0.449 55.721 56.048 0.205 0.000 1.155 383 H CB 0.557 30.171 29.762 -0.247 0.000 1.882 383 H HN 0.378 nan 8.280 nan 0.000 0.553 384 V N -2.760 117.256 119.914 0.170 0.000 2.313 384 V HA -0.305 3.996 4.120 0.302 0.000 0.253 384 V C 1.350 177.443 176.094 -0.001 0.000 1.070 384 V CA 2.041 64.312 62.300 -0.048 0.000 1.057 384 V CB -1.293 30.402 31.823 -0.213 0.000 0.653 384 V HN 0.804 nan 8.190 nan 0.000 0.450 385 W N -0.335 121.090 121.300 0.208 0.000 2.525 385 W HA 0.032 4.878 4.660 0.310 0.000 0.259 385 W C 2.579 179.072 176.519 -0.044 0.000 1.253 385 W CA 1.079 58.458 57.345 0.058 0.000 1.262 385 W CB -0.422 29.088 29.460 0.084 0.000 1.122 385 W HN 0.380 nan 8.180 nan 0.000 0.607 386 H N -1.054 118.146 119.070 0.218 0.000 2.544 386 H HA 0.024 4.762 4.556 0.304 0.000 0.269 386 H C 1.922 177.340 175.328 0.150 0.000 0.970 386 H CA 0.891 57.011 56.048 0.121 0.000 1.219 386 H CB -0.380 29.389 29.762 0.011 0.000 1.421 386 H HN 0.144 nan 8.280 nan 0.000 0.555 387 M N 1.473 121.227 119.600 0.257 0.000 2.103 387 M HA -0.118 4.543 4.480 0.302 0.000 0.255 387 M C -0.940 175.456 176.300 0.160 0.000 1.074 387 M CA 1.840 57.257 55.300 0.195 0.000 1.090 387 M CB -0.926 31.725 32.600 0.085 0.000 1.325 387 M HN 0.086 nan 8.290 nan 0.000 0.403 388 P HA -0.049 nan 4.420 nan 0.000 0.217 388 P C 1.073 178.444 177.300 0.117 0.000 1.150 388 P CA 2.092 65.262 63.100 0.117 0.000 0.832 388 P CB -0.280 31.488 31.700 0.114 0.000 0.787 389 A N -0.664 122.239 122.820 0.139 0.000 1.898 389 A HA -0.134 4.367 4.320 0.302 0.000 0.216 389 A C 2.186 179.837 177.584 0.111 0.000 1.181 389 A CA 1.321 53.425 52.037 0.111 0.000 0.620 389 A CB -1.638 17.440 19.000 0.130 0.000 0.819 389 A HN 0.091 nan 8.150 nan 0.000 0.442 390 L N -0.696 120.634 121.223 0.178 0.000 2.046 390 L HA -0.164 4.357 4.340 0.302 0.000 0.208 390 L C 2.782 179.816 176.870 0.273 0.000 1.077 390 L CA 1.784 56.786 54.840 0.271 0.000 0.747 390 L CB -0.874 41.342 42.059 0.262 0.000 0.896 390 L HN 0.333 nan 8.230 nan 0.000 0.432 391 T N -1.197 113.467 114.554 0.184 0.000 2.746 391 T HA -0.203 4.328 4.350 0.302 0.000 0.267 391 T C 1.835 176.597 174.700 0.105 0.000 1.039 391 T CA 1.202 63.391 62.100 0.148 0.000 1.142 391 T CB -0.131 68.804 68.868 0.112 0.000 0.866 391 T HN 0.312 nan 8.240 nan 0.000 0.444 392 E N 0.807 121.049 120.200 0.070 0.000 2.077 392 E HA -0.093 4.439 4.350 0.302 0.000 0.193 392 E C 2.218 178.797 176.600 -0.035 0.000 0.989 392 E CA 0.959 57.373 56.400 0.023 0.000 0.800 392 E CB -0.189 29.523 29.700 0.019 0.000 0.746 392 E HN 0.496 nan 8.360 nan 0.000 0.452 393 I N -0.278 120.233 120.570 -0.099 0.000 2.163 393 I HA -0.246 4.106 4.170 0.302 0.000 0.240 393 I C 2.056 177.931 176.117 -0.404 0.000 1.081 393 I CA 1.138 62.241 61.300 -0.328 0.000 1.353 393 I CB -0.263 37.387 38.000 -0.582 0.000 1.054 393 I HN 0.040 nan 8.210 nan 0.000 0.407 394 F N 0.510 120.456 119.950 -0.007 0.000 2.530 394 F HA 0.313 5.021 4.527 0.300 0.000 0.292 394 F C 1.599 177.401 175.800 0.003 0.000 1.109 394 F CA 0.599 58.593 58.000 -0.008 0.000 1.450 394 F CB -0.734 38.259 39.000 -0.013 0.000 1.114 394 F HN 0.165 nan 8.300 nan 0.000 0.560 395 G N 0.692 109.591 108.800 0.165 0.000 2.693 395 G HA2 -0.280 3.861 3.960 0.302 0.000 0.226 395 G HA3 -0.280 3.861 3.960 0.302 0.000 0.226 395 G C 0.213 175.181 174.900 0.114 0.000 1.354 395 G CA 0.001 45.167 45.100 0.110 0.000 0.873 395 G HN 0.128 nan 8.290 nan 0.000 0.562 396 D N 0.489 120.941 120.400 0.085 0.000 2.117 396 D HA -0.002 4.819 4.640 0.302 0.000 0.197 396 D C 1.079 177.419 176.300 0.068 0.000 0.987 396 D CA 1.539 55.585 54.000 0.075 0.000 0.829 396 D CB -0.169 40.674 40.800 0.072 0.000 0.961 396 D HN 0.419 nan 8.370 nan 0.000 0.460 397 D N 0.679 121.121 120.400 0.070 0.000 2.551 397 D HA 0.170 4.992 4.640 0.302 0.000 0.223 397 D C 0.094 176.415 176.300 0.035 0.000 1.144 397 D CA 0.125 54.157 54.000 0.052 0.000 1.025 397 D CB -0.077 40.756 40.800 0.054 0.000 1.085 397 D HN 0.065 nan 8.370 nan 0.000 0.506 398 S N -1.084 114.614 115.700 -0.003 0.000 2.636 398 S HA 0.597 5.248 4.470 0.302 0.000 0.268 398 S C -1.138 173.393 174.600 -0.114 0.000 1.159 398 S CA -0.910 57.239 58.200 -0.085 0.000 0.815 398 S CB 1.670 64.815 63.200 -0.092 0.000 1.130 398 S HN -0.068 nan 8.310 nan 0.000 0.471 399 V N 1.590 121.384 119.914 -0.201 0.000 2.483 399 V HA 0.558 4.859 4.120 0.302 0.000 0.297 399 V C -1.446 174.528 176.094 -0.201 0.000 1.027 399 V CA -0.604 61.613 62.300 -0.139 0.000 0.855 399 V CB 1.296 33.022 31.823 -0.161 0.000 0.995 399 V HN 0.790 nan 8.190 nan 0.000 0.424 400 L N 5.110 126.270 121.223 -0.105 0.000 2.287 400 L HA 0.567 5.089 4.340 0.302 0.000 0.287 400 L C 0.093 176.863 176.870 -0.167 0.000 1.022 400 L CA -0.123 54.612 54.840 -0.174 0.000 0.814 400 L CB 1.286 43.377 42.059 0.054 0.000 1.217 400 L HN 0.683 nan 8.230 nan 0.000 0.420 401 Q N 3.630 123.180 119.800 -0.415 0.000 2.312 401 Q HA 0.595 5.116 4.340 0.302 0.000 0.263 401 Q C -1.479 174.191 176.000 -0.550 0.000 0.995 401 Q CA -0.407 55.225 55.803 -0.286 0.000 0.853 401 Q CB 2.236 30.860 28.738 -0.190 0.000 1.300 401 Q HN 0.331 nan 8.270 nan 0.000 0.448 402 F N 0.661 120.577 119.950 -0.056 0.000 2.513 402 F HA 0.373 5.086 4.527 0.309 0.000 0.358 402 F C 0.810 176.584 175.800 -0.044 0.000 1.118 402 F CA -0.691 57.275 58.000 -0.057 0.000 1.037 402 F CB 1.405 40.371 39.000 -0.056 0.000 1.276 402 F HN 0.745 nan 8.300 nan 0.000 0.446 403 G N 1.597 110.440 108.800 0.071 0.000 2.655 403 G HA2 0.093 4.235 3.960 0.302 0.000 0.217 403 G HA3 0.093 4.235 3.960 0.302 0.000 0.217 403 G C 1.735 176.680 174.900 0.075 0.000 1.279 403 G CA 0.572 45.705 45.100 0.056 0.000 0.870 403 G HN 0.766 nan 8.290 nan 0.000 0.560 404 G N 0.634 109.469 108.800 0.059 0.000 2.448 404 G HA2 0.087 4.228 3.960 0.302 0.000 0.219 404 G HA3 0.087 4.228 3.960 0.302 0.000 0.219 404 G C 1.650 176.589 174.900 0.066 0.000 1.127 404 G CA 1.311 46.462 45.100 0.085 0.000 0.766 404 G HN 0.685 nan 8.290 nan 0.000 0.552 405 G N -0.707 108.080 108.800 -0.021 0.000 2.708 405 G HA2 0.131 4.272 3.960 0.302 0.000 0.210 405 G HA3 0.131 4.272 3.960 0.302 0.000 0.210 405 G C 1.396 176.342 174.900 0.075 0.000 1.141 405 G CA 1.556 46.548 45.100 -0.179 0.000 0.788 405 G HN 0.412 nan 8.290 nan 0.000 0.531 406 T N 0.039 114.691 114.554 0.163 0.000 3.138 406 T HA 0.095 4.626 4.350 0.302 0.000 0.245 406 T C 1.836 176.651 174.700 0.192 0.000 0.982 406 T CA -0.163 62.034 62.100 0.160 0.000 1.134 406 T CB -0.024 68.897 68.868 0.089 0.000 1.032 406 T HN 0.039 nan 8.240 nan 0.000 0.442 407 L N 1.725 123.040 121.223 0.152 0.000 2.622 407 L HA 0.282 4.803 4.340 0.302 0.000 0.233 407 L C 2.113 179.099 176.870 0.192 0.000 1.156 407 L CA 0.810 55.730 54.840 0.134 0.000 0.866 407 L CB -0.310 41.795 42.059 0.077 0.000 0.980 407 L HN 0.376 nan 8.230 nan 0.000 0.448 408 G N -3.137 105.848 108.800 0.308 0.000 3.126 408 G HA2 -0.055 4.087 3.960 0.302 0.000 0.224 408 G HA3 -0.055 4.087 3.960 0.302 0.000 0.224 408 G C 0.479 175.574 174.900 0.325 0.000 1.142 408 G CA -0.286 45.038 45.100 0.374 0.000 0.759 408 G HN 0.274 nan 8.290 nan 0.000 0.550 409 H N 2.061 121.261 119.070 0.216 0.000 2.848 409 H HA 0.110 4.844 4.556 0.296 0.000 0.341 409 H C -1.079 174.213 175.328 -0.060 0.000 1.060 409 H CA -1.169 54.873 56.048 -0.010 0.000 1.444 409 H CB 2.116 31.885 29.762 0.011 0.000 1.446 409 H HN 0.009 nan 8.280 nan 0.000 0.583 410 P HA -0.129 nan 4.420 nan 0.000 0.222 410 P C 0.602 178.135 177.300 0.389 0.000 1.147 410 P CA 1.046 64.135 63.100 -0.019 0.000 0.790 410 P CB 0.107 31.692 31.700 -0.192 0.000 0.780 411 W N 0.350 121.841 121.300 0.319 0.000 3.220 411 W HA 0.508 5.338 4.660 0.284 0.000 0.328 411 W C 1.072 177.636 176.519 0.076 0.000 1.205 411 W CA 0.424 57.869 57.345 0.166 0.000 1.773 411 W CB -0.511 29.033 29.460 0.141 0.000 1.086 411 W HN 0.058 nan 8.180 nan 0.000 0.622 412 G N 0.771 109.747 108.800 0.294 0.000 0.000 412 G HA2 -0.271 3.870 3.960 0.302 0.000 0.000 412 G HA3 -0.271 3.870 3.960 0.302 0.000 0.000 412 G C 0.579 175.514 174.900 0.058 0.000 0.000 412 G CA -0.256 44.928 45.100 0.140 0.000 0.000 412 G HN -0.066 nan 8.290 nan 0.000 0.000 413 N N -0.013 118.698 118.700 0.019 0.000 2.084 413 N HA -0.019 4.902 4.740 0.302 0.000 0.190 413 N C 2.771 178.231 175.510 -0.083 0.000 1.030 413 N CA 2.722 55.757 53.050 -0.025 0.000 0.849 413 N CB -0.684 37.780 38.487 -0.038 0.000 1.012 413 N HN 1.118 nan 8.380 nan 0.000 0.423 414 A N 1.363 124.124 122.820 -0.098 0.000 1.865 414 A HA -0.067 4.434 4.320 0.302 0.000 0.217 414 A C -0.165 177.336 177.584 -0.138 0.000 1.191 414 A CA 1.490 53.452 52.037 -0.124 0.000 0.623 414 A CB -1.572 17.358 19.000 -0.116 0.000 0.826 414 A HN 0.237 nan 8.150 nan 0.000 0.444 415 P HA -0.046 nan 4.420 nan 0.000 0.218 415 P C 1.654 178.590 177.300 -0.607 0.000 1.149 415 P CA 1.562 64.487 63.100 -0.293 0.000 0.817 415 P CB -0.281 31.321 31.700 -0.163 0.000 0.785 416 G N 0.120 108.600 108.800 -0.534 0.000 2.408 416 G HA2 -0.214 3.927 3.960 0.302 0.000 0.217 416 G HA3 -0.214 3.927 3.960 0.302 0.000 0.217 416 G C 1.612 176.414 174.900 -0.164 0.000 1.150 416 G CA 0.834 45.753 45.100 -0.302 0.000 0.776 416 G HN 0.296 nan 8.290 nan 0.000 0.542 417 A N 0.189 122.920 122.820 -0.149 0.000 1.898 417 A HA 0.127 4.628 4.320 0.302 0.000 0.216 417 A C 2.584 180.085 177.584 -0.138 0.000 1.181 417 A CA 1.651 53.614 52.037 -0.122 0.000 0.620 417 A CB -0.558 18.380 19.000 -0.104 0.000 0.819 417 A HN 0.230 nan 8.150 nan 0.000 0.442 418 V N 0.035 119.861 119.914 -0.146 0.000 2.343 418 V HA -0.276 4.025 4.120 0.302 0.000 0.247 418 V C 3.064 179.072 176.094 -0.143 0.000 1.051 418 V CA 1.958 64.186 62.300 -0.119 0.000 1.036 418 V CB -1.297 30.468 31.823 -0.097 0.000 0.654 418 V HN 0.612 nan 8.190 nan 0.000 0.451 419 A N 0.406 123.115 122.820 -0.185 0.000 1.908 419 A HA -0.250 4.251 4.320 0.302 0.000 0.218 419 A C 2.102 179.556 177.584 -0.217 0.000 1.181 419 A CA 2.167 54.090 52.037 -0.190 0.000 0.627 419 A CB -0.646 18.283 19.000 -0.119 0.000 0.818 419 A HN 0.610 nan 8.150 nan 0.000 0.445 420 N N -0.716 117.835 118.700 -0.247 0.000 2.142 420 N HA -0.138 4.783 4.740 0.302 0.000 0.186 420 N C 1.909 177.280 175.510 -0.231 0.000 1.023 420 N CA 1.516 54.347 53.050 -0.365 0.000 0.852 420 N CB -0.399 37.781 38.487 -0.512 0.000 0.998 420 N HN 0.456 nan 8.380 nan 0.000 0.424 421 R N 1.414 121.823 120.500 -0.151 0.000 2.081 421 R HA 0.014 4.535 4.340 0.302 0.000 0.235 421 R C 1.997 178.265 176.300 -0.052 0.000 1.131 421 R CA 0.967 57.017 56.100 -0.084 0.000 0.960 421 R CB -0.816 29.447 30.300 -0.063 0.000 0.856 421 R HN -0.014 nan 8.270 nan 0.000 0.436 422 V N 0.791 120.668 119.914 -0.061 0.000 2.295 422 V HA -0.201 4.101 4.120 0.302 0.000 0.246 422 V C 2.363 178.428 176.094 -0.047 0.000 1.049 422 V CA 1.960 64.251 62.300 -0.016 0.000 1.024 422 V CB -1.000 30.766 31.823 -0.095 0.000 0.648 422 V HN 0.540 nan 8.190 nan 0.000 0.447 423 A N -0.203 122.537 122.820 -0.133 0.000 1.908 423 A HA -0.236 4.265 4.320 0.302 0.000 0.218 423 A C 2.176 179.726 177.584 -0.056 0.000 1.181 423 A CA 2.299 54.255 52.037 -0.135 0.000 0.627 423 A CB -0.631 18.248 19.000 -0.202 0.000 0.818 423 A HN 0.460 nan 8.150 nan 0.000 0.445 424 L N 0.137 121.332 121.223 -0.048 0.000 1.994 424 L HA -0.152 4.369 4.340 0.302 0.000 0.208 424 L C 2.208 179.095 176.870 0.029 0.000 1.071 424 L CA 2.510 57.353 54.840 0.005 0.000 0.745 424 L CB -0.751 41.313 42.059 0.008 0.000 0.892 424 L HN 0.521 nan 8.230 nan 0.000 0.431 425 E N -0.432 119.787 120.200 0.032 0.000 2.204 425 E HA -0.191 4.340 4.350 0.302 0.000 0.195 425 E C 2.093 178.738 176.600 0.075 0.000 0.990 425 E CA 0.958 57.391 56.400 0.054 0.000 0.821 425 E CB -0.254 29.483 29.700 0.061 0.000 0.750 425 E HN 0.671 nan 8.360 nan 0.000 0.477 426 A N 0.733 123.606 122.820 0.089 0.000 1.930 426 A HA -0.159 4.342 4.320 0.302 0.000 0.217 426 A C 2.384 180.012 177.584 0.073 0.000 1.175 426 A CA 0.955 53.059 52.037 0.111 0.000 0.627 426 A CB -0.630 18.434 19.000 0.107 0.000 0.815 426 A HN 0.324 nan 8.150 nan 0.000 0.443 427 C N -1.469 117.864 119.300 0.054 0.000 2.466 427 C HA -0.010 4.631 4.460 0.302 0.000 0.278 427 C C 2.723 177.746 174.990 0.056 0.000 1.288 427 C CA 0.864 59.915 59.018 0.055 0.000 1.722 427 C CB -1.093 26.681 27.740 0.057 0.000 2.017 427 C HN 0.448 nan 8.230 nan 0.000 0.488 428 V N 0.730 120.677 119.914 0.054 0.000 2.343 428 V HA -0.287 4.014 4.120 0.302 0.000 0.247 428 V C 2.523 178.645 176.094 0.046 0.000 1.051 428 V CA 2.240 64.570 62.300 0.051 0.000 1.036 428 V CB -0.862 30.990 31.823 0.049 0.000 0.654 428 V HN 0.632 nan 8.190 nan 0.000 0.451 429 Q N -0.098 119.731 119.800 0.047 0.000 2.050 429 Q HA -0.222 4.300 4.340 0.302 0.000 0.202 429 Q C 2.276 178.300 176.000 0.040 0.000 0.980 429 Q CA 2.107 57.934 55.803 0.040 0.000 0.840 429 Q CB -0.316 28.448 28.738 0.043 0.000 0.898 429 Q HN 0.614 nan 8.270 nan 0.000 0.424 430 A N 1.347 124.196 122.820 0.048 0.000 1.908 430 A HA -0.239 4.262 4.320 0.302 0.000 0.218 430 A C 2.147 179.755 177.584 0.040 0.000 1.181 430 A CA 1.646 53.711 52.037 0.046 0.000 0.627 430 A CB -0.748 18.283 19.000 0.053 0.000 0.818 430 A HN 0.457 nan 8.150 nan 0.000 0.445 431 R N -0.304 120.221 120.500 0.041 0.000 2.073 431 R HA -0.170 4.351 4.340 0.302 0.000 0.234 431 R C 1.614 177.933 176.300 0.032 0.000 1.134 431 R CA 1.854 57.976 56.100 0.038 0.000 0.952 431 R CB -0.388 29.937 30.300 0.042 0.000 0.850 431 R HN 0.505 nan 8.270 nan 0.000 0.433 432 N N 1.031 119.750 118.700 0.031 0.000 2.289 432 N HA -0.138 4.783 4.740 0.302 0.000 0.184 432 N C 0.881 176.404 175.510 0.022 0.000 1.016 432 N CA 1.228 54.294 53.050 0.026 0.000 0.872 432 N CB -0.055 38.447 38.487 0.026 0.000 0.973 432 N HN 0.462 nan 8.380 nan 0.000 0.433 433 E N -0.709 119.505 120.200 0.023 0.000 2.502 433 E HA 0.150 4.681 4.350 0.302 0.000 0.194 433 E C 0.677 177.288 176.600 0.019 0.000 1.062 433 E CA 0.261 56.672 56.400 0.019 0.000 0.867 433 E CB 0.150 29.862 29.700 0.020 0.000 0.888 433 E HN 0.393 nan 8.360 nan 0.000 0.510 434 G N 1.989 110.802 108.800 0.021 0.000 2.159 434 G HA2 -0.246 3.895 3.960 0.302 0.000 0.227 434 G HA3 -0.246 3.895 3.960 0.302 0.000 0.227 434 G C 0.187 175.100 174.900 0.022 0.000 0.986 434 G CA -0.401 44.711 45.100 0.020 0.000 0.651 434 G HN 0.080 nan 8.290 nan 0.000 0.523 435 R N 0.417 120.933 120.500 0.027 0.000 2.582 435 R HA 0.339 4.861 4.340 0.302 0.000 0.271 435 R C -0.726 175.592 176.300 0.030 0.000 1.078 435 R CA -0.542 55.576 56.100 0.029 0.000 1.127 435 R CB 0.625 30.946 30.300 0.035 0.000 1.038 435 R HN 0.158 nan 8.270 nan 0.000 0.500 436 D N 2.661 123.079 120.400 0.030 0.000 2.393 436 D HA 0.018 4.839 4.640 0.302 0.000 0.232 436 D C 0.923 177.245 176.300 0.036 0.000 1.192 436 D CA -0.296 53.721 54.000 0.029 0.000 0.882 436 D CB 0.872 41.687 40.800 0.025 0.000 1.038 436 D HN 0.222 nan 8.370 nan 0.000 0.499 437 L N 4.044 125.291 121.223 0.039 0.000 2.079 437 L HA -0.142 4.379 4.340 0.302 0.000 0.210 437 L C 2.383 179.284 176.870 0.052 0.000 1.081 437 L CA 1.694 56.564 54.840 0.049 0.000 0.752 437 L CB -0.871 41.219 42.059 0.051 0.000 0.896 437 L HN 0.544 nan 8.230 nan 0.000 0.433 438 A N -1.231 121.613 122.820 0.040 0.000 1.898 438 A HA -0.198 4.303 4.320 0.302 0.000 0.216 438 A C 2.566 180.174 177.584 0.039 0.000 1.181 438 A CA 1.607 53.667 52.037 0.037 0.000 0.620 438 A CB -0.402 18.611 19.000 0.022 0.000 0.819 438 A HN 0.340 nan 8.150 nan 0.000 0.442 439 R N -0.560 119.961 120.500 0.035 0.000 2.080 439 R HA -0.001 4.520 4.340 0.302 0.000 0.222 439 R C 1.159 177.484 176.300 0.042 0.000 1.107 439 R CA 1.320 57.440 56.100 0.033 0.000 0.980 439 R CB -0.018 30.298 30.300 0.026 0.000 0.879 439 R HN 0.625 nan 8.270 nan 0.000 0.439 440 E N -1.007 119.221 120.200 0.047 0.000 2.476 440 E HA 0.093 4.624 4.350 0.302 0.000 0.196 440 E C 1.390 178.034 176.600 0.073 0.000 1.029 440 E CA 0.094 56.527 56.400 0.055 0.000 0.896 440 E CB 0.762 30.492 29.700 0.049 0.000 1.012 440 E HN 0.407 nan 8.360 nan 0.000 0.475 441 G N 2.407 111.256 108.800 0.081 0.000 2.599 441 G HA2 -0.365 3.777 3.960 0.302 0.000 0.219 441 G HA3 -0.365 3.777 3.960 0.302 0.000 0.219 441 G C 1.431 176.418 174.900 0.145 0.000 1.193 441 G CA 0.962 46.126 45.100 0.106 0.000 0.778 441 G HN 0.243 nan 8.290 nan 0.000 0.589 442 N N -0.194 118.609 118.700 0.171 0.000 2.166 442 N HA -0.108 4.813 4.740 0.302 0.000 0.186 442 N C 2.325 177.966 175.510 0.217 0.000 1.019 442 N CA 1.639 54.848 53.050 0.265 0.000 0.856 442 N CB -0.161 38.436 38.487 0.182 0.000 0.993 442 N HN 0.290 nan 8.380 nan 0.000 0.426 443 T N 1.681 116.313 114.554 0.130 0.000 2.777 443 T HA -0.000 4.531 4.350 0.302 0.000 0.266 443 T C 2.072 176.819 174.700 0.079 0.000 1.040 443 T CA 0.573 62.731 62.100 0.097 0.000 1.141 443 T CB -0.055 68.856 68.868 0.071 0.000 0.868 443 T HN 0.188 nan 8.240 nan 0.000 0.444 444 I N 0.876 121.491 120.570 0.074 0.000 2.208 444 I HA -0.153 4.199 4.170 0.302 0.000 0.245 444 I C 2.199 178.325 176.117 0.014 0.000 1.097 444 I CA 0.992 62.325 61.300 0.055 0.000 1.363 444 I CB -0.375 37.660 38.000 0.057 0.000 1.051 444 I HN 0.189 nan 8.210 nan 0.000 0.413 445 I N 0.688 121.250 120.570 -0.013 0.000 2.252 445 I HA -0.212 4.139 4.170 0.302 0.000 0.245 445 I C 2.660 178.663 176.117 -0.191 0.000 1.102 445 I CA 1.533 62.734 61.300 -0.165 0.000 1.385 445 I CB -1.161 36.653 38.000 -0.309 0.000 1.064 445 I HN 0.267 nan 8.210 nan 0.000 0.414 446 R N 0.619 121.094 120.500 -0.043 0.000 2.096 446 R HA -0.172 4.349 4.340 0.302 0.000 0.235 446 R C 2.086 178.362 176.300 -0.041 0.000 1.127 446 R CA 1.177 57.273 56.100 -0.008 0.000 0.968 446 R CB -0.256 30.107 30.300 0.104 0.000 0.861 446 R HN 0.495 nan 8.270 nan 0.000 0.440 447 E N 0.608 120.806 120.200 -0.003 0.000 2.085 447 E HA -0.178 4.353 4.350 0.302 0.000 0.194 447 E C 1.985 178.580 176.600 -0.009 0.000 0.994 447 E CA 1.296 57.721 56.400 0.041 0.000 0.801 447 E CB -0.101 29.656 29.700 0.095 0.000 0.743 447 E HN 0.356 nan 8.360 nan 0.000 0.453 448 A N 1.055 123.795 122.820 -0.134 0.000 2.067 448 A HA -0.137 4.364 4.320 0.302 0.000 0.219 448 A C 2.339 179.397 177.584 -0.876 0.000 1.158 448 A CA 1.698 53.422 52.037 -0.521 0.000 0.661 448 A CB -0.802 17.959 19.000 -0.399 0.000 0.801 448 A HN 0.392 nan 8.150 nan 0.000 0.452 449 T N -2.873 111.393 114.554 -0.480 0.000 3.035 449 T HA -0.041 4.490 4.350 0.302 0.000 0.268 449 T C 1.644 176.163 174.700 -0.300 0.000 1.109 449 T CA 1.423 63.282 62.100 -0.401 0.000 1.119 449 T CB -0.158 68.556 68.868 -0.257 0.000 0.900 449 T HN 0.244 nan 8.240 nan 0.000 0.503 450 K N 0.891 121.152 120.400 -0.232 0.000 2.148 450 K HA 0.063 4.564 4.320 0.302 0.000 0.204 450 K C 1.767 178.389 176.600 0.037 0.000 1.050 450 K CA 1.234 57.494 56.287 -0.045 0.000 0.942 450 K CB -0.254 32.292 32.500 0.076 0.000 0.724 450 K HN 0.838 nan 8.250 nan 0.000 0.446 451 W N -2.181 119.114 121.300 -0.008 0.000 2.998 451 W HA 0.444 5.108 4.660 0.006 0.000 0.336 451 W C -0.075 176.443 176.519 -0.001 0.000 1.112 451 W CA -0.436 56.908 57.345 -0.002 0.000 1.682 451 W CB -0.106 29.351 29.460 -0.004 0.000 1.065 451 W HN -0.132 nan 8.180 nan 0.000 0.570 452 S N 3.058 118.502 115.700 -0.427 0.000 2.577 452 S HA 0.380 5.032 4.470 0.302 0.000 0.294 452 S C -1.459 173.012 174.600 -0.216 0.000 1.161 452 S CA -1.313 56.677 58.200 -0.350 0.000 1.143 452 S CB 1.209 63.958 63.200 -0.751 0.000 0.991 452 S HN -0.296 nan 8.310 nan 0.000 0.475 453 P HA -0.059 nan 4.420 nan 0.000 0.218 453 P C 0.892 178.103 177.300 -0.148 0.000 1.149 453 P CA 1.006 64.130 63.100 0.040 0.000 0.817 453 P CB 0.246 32.119 31.700 0.290 0.000 0.785 454 E N -0.561 119.558 120.200 -0.134 0.000 2.077 454 E HA -0.146 4.385 4.350 0.302 0.000 0.193 454 E C 1.871 178.308 176.600 -0.272 0.000 0.989 454 E CA 0.773 56.997 56.400 -0.293 0.000 0.800 454 E CB -1.250 28.357 29.700 -0.155 0.000 0.746 454 E HN 0.122 nan 8.360 nan 0.000 0.452 455 L N 0.421 121.475 121.223 -0.281 0.000 2.056 455 L HA -0.001 4.520 4.340 0.302 0.000 0.207 455 L C 2.040 178.708 176.870 -0.336 0.000 1.078 455 L CA 1.934 56.587 54.840 -0.312 0.000 0.749 455 L CB -0.897 40.922 42.059 -0.400 0.000 0.901 455 L HN 0.109 nan 8.230 nan 0.000 0.433 456 A N -0.242 122.385 122.820 -0.321 0.000 1.883 456 A HA -0.192 4.309 4.320 0.302 0.000 0.217 456 A C 2.469 179.872 177.584 -0.303 0.000 1.186 456 A CA 2.129 54.005 52.037 -0.268 0.000 0.624 456 A CB -1.279 17.609 19.000 -0.187 0.000 0.822 456 A HN 0.586 nan 8.150 nan 0.000 0.444 457 A N -0.353 122.204 122.820 -0.438 0.000 1.902 457 A HA 0.150 4.651 4.320 0.302 0.000 0.217 457 A C 2.502 179.685 177.584 -0.668 0.000 1.181 457 A CA 2.183 53.853 52.037 -0.612 0.000 0.623 457 A CB -0.974 17.335 19.000 -1.153 0.000 0.818 457 A HN 1.083 nan 8.150 nan 0.000 0.443 458 A N -1.035 121.435 122.820 -0.583 0.000 1.898 458 A HA -0.146 4.355 4.320 0.302 0.000 0.216 458 A C 2.289 179.696 177.584 -0.294 0.000 1.181 458 A CA 1.593 53.337 52.037 -0.489 0.000 0.620 458 A CB -1.277 17.673 19.000 -0.084 0.000 0.819 458 A HN 0.595 nan 8.150 nan 0.000 0.442 459 C N -0.724 118.425 119.300 -0.251 0.000 2.413 459 C HA -0.090 4.551 4.460 0.302 0.000 0.277 459 C C 2.637 177.738 174.990 0.186 0.000 1.265 459 C CA 1.256 60.227 59.018 -0.080 0.000 1.752 459 C CB -1.200 26.362 27.740 -0.296 0.000 1.998 459 C HN 0.786 nan 8.230 nan 0.000 0.489 460 E N 0.571 120.728 120.200 -0.072 0.000 2.110 460 E HA -0.164 4.367 4.350 0.302 0.000 0.193 460 E C 1.983 178.467 176.600 -0.194 0.000 0.988 460 E CA 1.353 57.694 56.400 -0.099 0.000 0.804 460 E CB 0.107 29.708 29.700 -0.164 0.000 0.745 460 E HN 0.462 nan 8.360 nan 0.000 0.458 461 V N 0.018 119.686 119.914 -0.411 0.000 2.453 461 V HA -0.140 4.161 4.120 0.302 0.000 0.247 461 V C 1.295 177.071 176.094 -0.531 0.000 1.048 461 V CA 1.144 63.066 62.300 -0.631 0.000 1.049 461 V CB -0.312 30.786 31.823 -1.208 0.000 0.672 461 V HN 0.464 nan 8.190 nan 0.000 0.457 462 W N 0.311 121.533 121.300 -0.130 0.000 3.102 462 W HA 0.337 5.177 4.660 0.299 0.000 0.401 462 W C 1.855 178.238 176.519 -0.227 0.000 1.070 462 W CA -0.801 56.381 57.345 -0.271 0.000 1.921 462 W CB -0.299 28.802 29.460 -0.599 0.000 1.118 462 W HN 0.307 nan 8.180 nan 0.000 0.647 463 K N 1.794 122.225 120.400 0.053 0.000 2.074 463 K HA -0.216 4.285 4.320 0.302 0.000 0.209 463 K C 0.831 177.214 176.600 -0.363 0.000 1.048 463 K CA 1.875 58.002 56.287 -0.268 0.000 0.926 463 K CB 0.017 32.414 32.500 -0.172 0.000 0.713 463 K HN 0.096 nan 8.250 nan 0.000 0.444 464 E N 0.364 120.447 120.200 -0.194 0.000 2.444 464 E HA 0.086 4.617 4.350 0.302 0.000 0.191 464 E C -0.598 175.926 176.600 -0.126 0.000 1.041 464 E CA -0.366 55.931 56.400 -0.171 0.000 0.883 464 E CB 0.500 30.120 29.700 -0.133 0.000 1.024 464 E HN 0.210 nan 8.360 nan 0.000 0.470 465 I N 2.481 123.001 120.570 -0.083 0.000 2.312 465 I HA 0.213 4.564 4.170 0.302 0.000 0.291 465 I C 0.096 176.189 176.117 -0.040 0.000 1.031 465 I CA -0.031 61.228 61.300 -0.067 0.000 1.293 465 I CB 0.257 38.278 38.000 0.035 0.000 1.403 465 I HN -0.081 nan 8.210 nan 0.000 0.484 466 K N 5.911 126.147 120.400 -0.273 0.000 2.512 466 K HA 0.601 5.102 4.320 0.302 0.000 0.263 466 K C -1.512 174.797 176.600 -0.484 0.000 0.966 466 K CA -0.674 55.493 56.287 -0.199 0.000 0.851 466 K CB 2.466 34.927 32.500 -0.065 0.000 1.395 466 K HN 0.098 nan 8.250 nan 0.000 0.440 467 F N 1.562 121.580 119.950 0.114 0.000 2.434 467 F HA 0.297 5.005 4.527 0.301 0.000 0.367 467 F C -0.432 175.389 175.800 0.035 0.000 1.093 467 F CA -0.536 57.524 58.000 0.100 0.000 1.085 467 F CB 1.503 40.599 39.000 0.160 0.000 1.322 467 F HN 0.320 nan 8.300 nan 0.000 0.452 468 E N 3.988 124.156 120.200 -0.053 0.000 2.235 468 E HA 0.538 5.070 4.350 0.302 0.000 0.252 468 E C -1.336 175.061 176.600 -0.338 0.000 0.886 468 E CA -0.491 55.850 56.400 -0.097 0.000 0.767 468 E CB 1.869 31.504 29.700 -0.109 0.000 1.205 468 E HN 0.306 nan 8.360 nan 0.000 0.421 469 F N 1.074 121.071 119.950 0.078 0.000 2.626 469 F HA 0.434 5.142 4.527 0.302 0.000 0.311 469 F C -2.075 173.754 175.800 0.047 0.000 1.088 469 F CA -2.180 55.856 58.000 0.061 0.000 0.949 469 F CB 0.976 40.017 39.000 0.068 0.000 1.322 469 F HN 0.243 nan 8.300 nan 0.000 0.461 470 P HA 0.435 nan 4.420 nan 0.000 0.271 470 P C -1.181 176.196 177.300 0.129 0.000 1.216 470 P CA -0.333 62.854 63.100 0.146 0.000 0.771 470 P CB 0.688 32.459 31.700 0.118 0.000 0.864 471 A N 2.981 125.861 122.820 0.099 0.000 2.327 471 A HA 0.360 4.861 4.320 0.302 0.000 0.283 471 A C 1.055 178.681 177.584 0.070 0.000 1.127 471 A CA -0.396 51.692 52.037 0.084 0.000 0.810 471 A CB 0.321 19.371 19.000 0.084 0.000 1.066 471 A HN 0.482 nan 8.150 nan 0.000 0.492 472 M N 0.553 120.188 119.600 0.059 0.000 2.299 472 M HA 0.034 4.695 4.480 0.302 0.000 0.264 472 M C 0.408 176.751 176.300 0.072 0.000 1.095 472 M CA 0.927 56.259 55.300 0.053 0.000 1.165 472 M CB -1.272 31.347 32.600 0.033 0.000 1.349 472 M HN 0.830 nan 8.290 nan 0.000 0.446 473 D N 2.767 123.216 120.400 0.083 0.000 2.402 473 D HA 0.156 4.977 4.640 0.302 0.000 0.235 473 D C -0.462 175.924 176.300 0.143 0.000 1.226 473 D CA 0.161 54.236 54.000 0.124 0.000 0.918 473 D CB 0.490 41.364 40.800 0.125 0.000 1.043 473 D HN 0.240 nan 8.370 nan 0.000 0.506 474 T N -0.050 114.582 114.554 0.130 0.000 2.887 474 T HA 0.540 5.071 4.350 0.302 0.000 0.288 474 T C 0.398 175.165 174.700 0.111 0.000 1.021 474 T CA -0.919 61.247 62.100 0.110 0.000 1.000 474 T CB 1.074 69.988 68.868 0.077 0.000 1.034 474 T HN 0.031 nan 8.240 nan 0.000 0.467 475 V N 0.000 119.967 119.914 0.088 0.000 2.409 475 V HA 0.000 4.301 4.120 0.302 0.000 0.244 475 V CA 0.000 62.339 62.300 0.065 0.000 1.235 475 V CB 0.000 31.837 31.823 0.024 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556