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 3nuk_1_B DATA FIRST_RESID 0 DATA SEQUENCE AMIRKYRYGA PFDTEALTEK IETAEEAFPY GEISQKEGFA FTYIMDEDDI DATA SEQUENCE VYGLGESNRG INKRGYCYIS NCTDDPIHTE DKRSLYGAHN FIIVSGKTTF DATA SEQUENCE GLFFDYPSKL TFDIGYTRMD TLKVSCENAD LDIYVIEGEN AYDIVKQFRR DATA SEQUENCE VIGRSYIPPK FAFGFGQSRY GYTTKEDFRA VAKGYRENHI PIDMIYMDID DATA SEQUENCE YMQDFKDFTV NEKNFPDFPE FVKEMKDQEL RLIPIIDAGV KVEKGYEVYE DATA SEQUENCE EGVKNNYFCK REDGSDFVAA VWPGDTHFPD MLNPEARKWF GDKYRFLIDQ DATA SEQUENCE GIEGFWNDMN EPAIFYSSEG LAEAKEFAGE FAKDTEGKIH PWAMQAKMKD DATA SEQUENCE IVNSPEDYKR FYHNVNGKKI RHDKVHNLFG YNMTRAAGEA FERIDPEKRF DATA SEQUENCE LMFSRSSYIG MHRYGGIWMG XXKSWWSHIL LNLKMLPSLN MCGFMYTGAD DATA SEQUENCE LGXXXXDTTR DLLLRFLALG VFTPLMRDHX XXXXXXXECY QFENIEDFRS DATA SEQUENCE VINARYRLVP YLYSEYMKAA LNDDMYFKPL GFVYPDDKMA IRVEDQLMLG DATA SEQUENCE NEIMIAPVYE QNARGRYVYL PEEMKFIKFM PDGSISEEVL EKGVHYVDVA DATA SEQUENCE LNEVPLFIRS GKCIPVAEAA ECVKDIDTEN MQLIGYEGSS YTLYEDDGIH DATA SEQUENCE KDYDKKENYR VLTK 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.594 177.584 0.017 0.000 1.274 0 A CA 0.000 52.039 52.037 0.004 0.000 0.836 0 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 1 M N 0.579 120.194 119.600 0.026 0.000 2.428 1 M HA 0.462 5.430 4.480 0.814 0.000 0.239 1 M C -0.140 176.205 176.300 0.076 0.000 1.121 1 M CA 0.862 56.188 55.300 0.044 0.000 1.019 1 M CB -0.534 32.086 32.600 0.034 0.000 1.485 1 M HN 0.369 nan 8.290 nan 0.000 0.484 2 I N 0.436 121.052 120.570 0.077 0.000 2.498 2 I HA 0.396 5.054 4.170 0.814 0.000 0.290 2 I C -0.289 175.893 176.117 0.107 0.000 1.032 2 I CA -0.607 60.770 61.300 0.129 0.000 1.073 2 I CB 2.333 40.421 38.000 0.146 0.000 1.251 2 I HN 0.034 nan 8.210 nan 0.000 0.426 3 R N 4.025 124.597 120.500 0.121 0.000 2.750 3 R HA 0.520 5.348 4.340 0.814 0.000 0.281 3 R C -1.007 175.260 176.300 -0.055 0.000 0.972 3 R CA -1.034 55.054 56.100 -0.020 0.000 0.912 3 R CB 2.948 33.192 30.300 -0.093 0.000 1.187 3 R HN 0.475 nan 8.270 nan 0.000 0.464 4 K N 2.735 122.966 120.400 -0.282 0.000 2.323 4 K HA 0.295 5.104 4.320 0.814 0.000 0.259 4 K C -1.523 174.783 176.600 -0.490 0.000 0.947 4 K CA -0.492 55.509 56.287 -0.477 0.000 0.819 4 K CB 0.937 33.060 32.500 -0.629 0.000 1.109 4 K HN 0.512 nan 8.250 nan 0.000 0.429 5 Y N 2.877 123.053 120.300 -0.208 0.000 2.331 5 Y HA 0.323 5.361 4.550 0.813 0.000 0.338 5 Y C 0.161 175.864 175.900 -0.327 0.000 0.976 5 Y CA -0.796 57.198 58.100 -0.177 0.000 1.137 5 Y CB 1.608 40.131 38.460 0.105 0.000 1.172 5 Y HN 0.523 nan 8.280 nan 0.000 0.478 6 R N 3.053 123.354 120.500 -0.333 0.000 2.393 6 R HA 0.512 5.340 4.340 0.814 0.000 0.310 6 R C -2.016 173.977 176.300 -0.511 0.000 0.968 6 R CA -0.541 55.389 56.100 -0.285 0.000 0.867 6 R CB 0.725 30.930 30.300 -0.159 0.000 1.124 6 R HN 0.650 nan 8.270 nan 0.000 0.450 7 Y N 3.458 123.779 120.300 0.035 0.000 2.350 7 Y HA 0.467 5.505 4.550 0.813 0.000 0.338 7 Y C 1.089 177.016 175.900 0.045 0.000 0.961 7 Y CA 0.333 58.464 58.100 0.051 0.000 1.100 7 Y CB 2.184 40.675 38.460 0.050 0.000 1.179 7 Y HN 1.042 nan 8.280 nan 0.000 0.454 8 G N 1.869 110.773 108.800 0.173 0.000 2.574 8 G HA2 -0.069 4.379 3.960 0.814 0.000 0.286 8 G HA3 -0.069 4.379 3.960 0.814 0.000 0.286 8 G C -0.356 174.600 174.900 0.094 0.000 1.212 8 G CA -0.057 45.121 45.100 0.129 0.000 0.979 8 G HN 1.383 nan 8.290 nan 0.000 0.557 9 A N 1.132 124.013 122.820 0.101 0.000 2.842 9 A HA 0.755 5.564 4.320 0.814 0.000 0.339 9 A C -2.146 175.505 177.584 0.112 0.000 1.177 9 A CA -0.485 51.603 52.037 0.086 0.000 0.797 9 A CB 1.009 20.052 19.000 0.073 0.000 1.094 9 A HN 0.554 nan 8.150 nan 0.000 0.474 10 P HA 0.248 nan 4.420 nan 0.000 0.272 10 P C -0.360 177.040 177.300 0.167 0.000 1.223 10 P CA -0.165 63.036 63.100 0.169 0.000 0.784 10 P CB 0.341 32.137 31.700 0.161 0.000 0.923 11 F N 1.415 121.398 119.950 0.055 0.000 2.443 11 F HA 0.111 5.125 4.527 0.811 0.000 0.353 11 F C 0.574 176.408 175.800 0.057 0.000 1.101 11 F CA -0.230 57.786 58.000 0.027 0.000 1.226 11 F CB 0.304 39.285 39.000 -0.032 0.000 1.140 11 F HN 0.242 nan 8.300 nan 0.000 0.557 12 D N 3.505 123.619 120.400 -0.476 0.000 2.348 12 D HA 0.059 5.187 4.640 0.814 0.000 0.259 12 D C 1.078 177.361 176.300 -0.029 0.000 1.296 12 D CA 0.492 54.366 54.000 -0.210 0.000 0.931 12 D CB 0.719 41.359 40.800 -0.267 0.000 1.067 12 D HN 0.636 nan 8.370 nan 0.000 0.503 13 T N -0.066 114.658 114.554 0.283 0.000 3.067 13 T HA -0.032 4.807 4.350 0.814 0.000 0.257 13 T C 0.681 175.648 174.700 0.446 0.000 1.105 13 T CA -0.034 62.325 62.100 0.432 0.000 1.104 13 T CB -0.188 68.995 68.868 0.526 0.000 0.925 13 T HN 0.588 nan 8.240 nan 0.000 0.498 14 E N 0.175 120.569 120.200 0.323 0.000 2.791 14 E HA -0.281 4.557 4.350 0.814 0.000 0.271 14 E C 1.264 178.077 176.600 0.355 0.000 1.044 14 E CA 0.203 56.775 56.400 0.287 0.000 0.814 14 E CB -2.025 27.818 29.700 0.238 0.000 1.400 14 E HN 0.698 nan 8.360 nan 0.000 0.423 15 A N 0.114 123.173 122.820 0.398 0.000 1.858 15 A HA -0.020 4.788 4.320 0.814 0.000 0.216 15 A C 1.114 178.717 177.584 0.033 0.000 1.190 15 A CA 1.115 53.316 52.037 0.274 0.000 0.617 15 A CB 0.012 19.267 19.000 0.425 0.000 0.827 15 A HN 0.164 nan 8.150 nan 0.000 0.443 16 L N -0.625 120.597 121.223 -0.002 0.000 2.399 16 L HA 0.302 5.130 4.340 0.814 0.000 0.266 16 L C 1.702 178.539 176.870 -0.056 0.000 1.114 16 L CA 1.053 55.805 54.840 -0.146 0.000 0.804 16 L CB 1.426 43.359 42.059 -0.209 0.000 1.146 16 L HN 0.426 nan 8.230 nan 0.000 0.451 17 T N -3.131 111.361 114.554 -0.103 0.000 2.990 17 T HA 0.147 4.985 4.350 0.814 0.000 0.249 17 T C 0.546 175.213 174.700 -0.056 0.000 1.039 17 T CA -0.219 61.846 62.100 -0.059 0.000 1.036 17 T CB 0.009 68.832 68.868 -0.076 0.000 0.994 17 T HN 0.462 nan 8.240 nan 0.000 0.489 18 E N 1.825 121.972 120.200 -0.088 0.000 2.229 18 E HA 0.246 5.084 4.350 0.814 0.000 0.283 18 E C -0.808 175.782 176.600 -0.016 0.000 1.030 18 E CA -0.578 55.787 56.400 -0.060 0.000 0.836 18 E CB 0.651 30.300 29.700 -0.085 0.000 1.068 18 E HN 0.293 nan 8.360 nan 0.000 0.401 19 K N 4.459 124.865 120.400 0.009 0.000 2.379 19 K HA 0.209 5.017 4.320 0.814 0.000 0.284 19 K C -0.268 176.368 176.600 0.060 0.000 1.044 19 K CA -0.210 56.103 56.287 0.043 0.000 0.974 19 K CB 0.657 33.173 32.500 0.027 0.000 0.962 19 K HN 0.414 nan 8.250 nan 0.000 0.474 20 I N 3.372 124.015 120.570 0.122 0.000 2.433 20 I HA 0.094 4.752 4.170 0.814 0.000 0.292 20 I C 0.596 176.745 176.117 0.054 0.000 1.001 20 I CA -0.911 60.460 61.300 0.118 0.000 1.119 20 I CB 1.496 39.649 38.000 0.255 0.000 1.289 20 I HN 0.688 nan 8.210 nan 0.000 0.438 21 E N 3.668 123.869 120.200 0.001 0.000 2.398 21 E HA 0.163 5.001 4.350 0.814 0.000 0.263 21 E C -0.536 176.003 176.600 -0.103 0.000 1.046 21 E CA -0.404 55.971 56.400 -0.042 0.000 0.908 21 E CB 0.269 29.941 29.700 -0.047 0.000 0.963 21 E HN 0.435 nan 8.360 nan 0.000 0.431 22 T N 1.749 116.231 114.554 -0.121 0.000 2.834 22 T HA 0.301 5.139 4.350 0.814 0.000 0.298 22 T C 0.058 174.614 174.700 -0.240 0.000 0.966 22 T CA -0.217 61.768 62.100 -0.192 0.000 1.141 22 T CB 0.749 69.530 68.868 -0.145 0.000 0.905 22 T HN 0.591 nan 8.240 nan 0.000 0.535 23 A N 3.093 125.665 122.820 -0.413 0.000 2.354 23 A HA 0.464 5.272 4.320 0.814 0.000 0.269 23 A C 0.983 178.387 177.584 -0.300 0.000 1.109 23 A CA -0.570 51.197 52.037 -0.449 0.000 0.800 23 A CB 0.366 18.844 19.000 -0.871 0.000 1.045 23 A HN 0.785 nan 8.150 nan 0.000 0.489 24 E N 0.699 120.815 120.200 -0.141 0.000 2.511 24 E HA 0.042 4.880 4.350 0.814 0.000 0.209 24 E C 0.198 176.821 176.600 0.038 0.000 0.986 24 E CA 0.225 56.601 56.400 -0.040 0.000 0.974 24 E CB 0.218 29.896 29.700 -0.037 0.000 1.030 24 E HN 0.932 nan 8.360 nan 0.000 0.490 25 E N 0.806 121.040 120.200 0.057 0.000 2.397 25 E HA 0.447 5.285 4.350 0.814 0.000 0.254 25 E C 0.174 176.900 176.600 0.209 0.000 1.231 25 E CA -0.472 55.990 56.400 0.103 0.000 0.954 25 E CB 0.592 30.334 29.700 0.071 0.000 1.024 25 E HN -0.063 nan 8.360 nan 0.000 0.481 26 A N 0.835 123.732 122.820 0.129 0.000 2.520 26 A HA 0.089 4.898 4.320 0.814 0.000 0.235 26 A C -0.477 177.153 177.584 0.078 0.000 1.065 26 A CA -0.344 51.764 52.037 0.119 0.000 0.764 26 A CB -0.236 18.797 19.000 0.054 0.000 1.002 26 A HN 0.536 nan 8.150 nan 0.000 0.502 27 F N 3.848 123.723 119.950 -0.125 0.000 2.578 27 F HA 0.292 5.307 4.527 0.813 0.000 0.376 27 F C -0.863 174.758 175.800 -0.299 0.000 1.085 27 F CA -1.214 56.529 58.000 -0.428 0.000 1.260 27 F CB 0.947 39.775 39.000 -0.286 0.000 1.095 27 F HN 0.461 nan 8.300 nan 0.000 0.573 28 P HA -0.031 nan 4.420 nan 0.000 0.230 28 P C -1.121 175.626 177.300 -0.922 0.000 1.168 28 P CA 1.041 63.636 63.100 -0.840 0.000 0.793 28 P CB 0.290 31.374 31.700 -1.026 0.000 0.851 29 Y N -0.526 119.592 120.300 -0.304 0.000 2.442 29 Y HA 0.506 5.545 4.550 0.814 0.000 0.344 29 Y C 1.385 177.592 175.900 0.511 0.000 0.976 29 Y CA -0.192 57.875 58.100 -0.055 0.000 1.040 29 Y CB 1.543 39.545 38.460 -0.764 0.000 1.228 29 Y HN 0.118 nan 8.280 nan 0.000 0.451 30 G N 2.462 111.661 108.800 0.665 0.000 2.578 30 G HA2 -0.235 4.214 3.960 0.814 0.000 0.275 30 G HA3 -0.235 4.214 3.960 0.814 0.000 0.275 30 G C -0.663 174.401 174.900 0.274 0.000 1.271 30 G CA -0.072 45.307 45.100 0.465 0.000 0.941 30 G HN 0.640 nan 8.290 nan 0.000 0.564 31 E N -0.713 119.527 120.200 0.066 0.000 2.293 31 E HA 0.580 5.418 4.350 0.814 0.000 0.270 31 E C -0.576 175.966 176.600 -0.095 0.000 0.879 31 E CA -0.941 55.459 56.400 -0.000 0.000 0.756 31 E CB 1.979 31.636 29.700 -0.072 0.000 1.208 31 E HN 0.375 nan 8.360 nan 0.000 0.428 32 I N 2.003 122.491 120.570 -0.137 0.000 2.378 32 I HA 0.275 4.933 4.170 0.814 0.000 0.291 32 I C -0.191 175.733 176.117 -0.322 0.000 0.992 32 I CA -0.350 60.745 61.300 -0.342 0.000 1.154 32 I CB 1.398 39.175 38.000 -0.372 0.000 1.315 32 I HN 0.365 nan 8.210 nan 0.000 0.448 33 S N 5.427 120.856 115.700 -0.452 0.000 2.503 33 S HA 0.485 5.443 4.470 0.814 0.000 0.301 33 S C -0.088 174.300 174.600 -0.353 0.000 1.087 33 S CA -0.412 57.600 58.200 -0.314 0.000 1.042 33 S CB 1.543 64.595 63.200 -0.247 0.000 1.043 33 S HN 0.643 nan 8.310 nan 0.000 0.489 34 Q N 2.121 121.813 119.800 -0.179 0.000 2.110 34 Q HA 0.198 5.026 4.340 0.814 0.000 0.232 34 Q C 0.514 176.483 176.000 -0.051 0.000 0.810 34 Q CA -0.449 55.297 55.803 -0.095 0.000 1.083 34 Q CB 0.748 29.485 28.738 -0.002 0.000 1.193 34 Q HN 0.527 nan 8.270 nan 0.000 0.471 35 K N 2.525 122.880 120.400 -0.075 0.000 1.969 35 K HA -0.120 4.688 4.320 0.814 0.000 0.220 35 K C 0.923 177.502 176.600 -0.034 0.000 1.040 35 K CA 1.407 57.665 56.287 -0.048 0.000 0.981 35 K CB 0.167 32.632 32.500 -0.059 0.000 0.746 35 K HN 0.141 nan 8.250 nan 0.000 0.444 36 E N 0.576 120.748 120.200 -0.046 0.000 2.206 36 E HA 0.311 5.149 4.350 0.814 0.000 0.244 36 E C 0.430 177.012 176.600 -0.030 0.000 1.055 36 E CA 0.104 56.485 56.400 -0.031 0.000 0.970 36 E CB -0.111 29.569 29.700 -0.032 0.000 1.256 36 E HN 0.513 nan 8.360 nan 0.000 0.456 37 G N 2.616 111.411 108.800 -0.008 0.000 2.503 37 G HA2 -0.264 4.184 3.960 0.814 0.000 0.235 37 G HA3 -0.264 4.184 3.960 0.814 0.000 0.235 37 G C -0.923 173.996 174.900 0.032 0.000 1.179 37 G CA -0.225 44.884 45.100 0.014 0.000 0.944 37 G HN 0.568 nan 8.290 nan 0.000 0.580 38 F N 1.320 121.174 119.950 -0.160 0.000 2.565 38 F HA 0.779 5.796 4.527 0.815 0.000 0.313 38 F C -0.099 175.577 175.800 -0.207 0.000 1.091 38 F CA 0.163 58.036 58.000 -0.212 0.000 0.915 38 F CB 2.050 40.883 39.000 -0.279 0.000 1.208 38 F HN 1.542 nan 8.300 nan 0.000 0.453 39 A N 5.431 127.584 122.820 -1.112 0.000 2.465 39 A HA 0.579 5.387 4.320 0.814 0.000 0.292 39 A C -2.313 174.791 177.584 -0.800 0.000 1.041 39 A CA -0.438 51.178 52.037 -0.701 0.000 0.718 39 A CB 0.602 19.381 19.000 -0.368 0.000 1.266 39 A HN 0.809 nan 8.150 nan 0.000 0.403 40 F N 2.602 122.243 119.950 -0.515 0.000 2.415 40 F HA 0.743 5.759 4.527 0.815 0.000 0.348 40 F C -0.174 175.584 175.800 -0.069 0.000 1.119 40 F CA 0.065 57.923 58.000 -0.238 0.000 1.069 40 F CB 1.682 40.768 39.000 0.143 0.000 1.124 40 F HN 0.436 nan 8.300 nan 0.000 0.472 41 T N 6.597 120.678 114.554 -0.790 0.000 2.861 41 T HA 0.392 5.230 4.350 0.814 0.000 0.287 41 T C -2.043 172.272 174.700 -0.642 0.000 1.003 41 T CA -0.477 61.263 62.100 -0.600 0.000 0.977 41 T CB 1.182 69.867 68.868 -0.306 0.000 0.996 41 T HN 0.577 nan 8.240 nan 0.000 0.448 42 Y N 3.224 123.212 120.300 -0.521 0.000 2.401 42 Y HA 0.503 5.541 4.550 0.815 0.000 0.330 42 Y C -1.493 174.373 175.900 -0.056 0.000 1.071 42 Y CA -1.338 56.620 58.100 -0.238 0.000 1.049 42 Y CB 0.892 39.317 38.460 -0.059 0.000 1.239 42 Y HN 0.438 nan 8.280 nan 0.000 0.437 43 I N 7.079 127.288 120.570 -0.600 0.000 2.337 43 I HA 0.221 4.880 4.170 0.814 0.000 0.291 43 I C 0.106 175.868 176.117 -0.591 0.000 1.046 43 I CA -0.070 60.966 61.300 -0.441 0.000 1.324 43 I CB 0.487 38.314 38.000 -0.289 0.000 1.409 43 I HN 0.731 nan 8.210 nan 0.000 0.494 44 M N 4.314 123.791 119.600 -0.206 0.000 2.274 44 M HA 0.185 5.153 4.480 0.814 0.000 0.344 44 M C 0.224 176.509 176.300 -0.024 0.000 1.161 44 M CA -0.390 54.901 55.300 -0.015 0.000 1.126 44 M CB 0.867 33.535 32.600 0.113 0.000 1.522 44 M HN 0.453 nan 8.290 nan 0.000 0.461 45 D N 0.817 121.237 120.400 0.034 0.000 2.362 45 D HA -0.023 5.105 4.640 0.814 0.000 0.242 45 D C 1.058 177.371 176.300 0.021 0.000 1.132 45 D CA 0.013 54.028 54.000 0.025 0.000 0.907 45 D CB 0.917 41.747 40.800 0.051 0.000 1.195 45 D HN 0.703 nan 8.370 nan 0.000 0.429 46 E N 1.209 121.414 120.200 0.008 0.000 2.204 46 E HA -0.229 4.609 4.350 0.814 0.000 0.195 46 E C 0.507 177.109 176.600 0.003 0.000 0.990 46 E CA 0.994 57.396 56.400 0.003 0.000 0.821 46 E CB 0.008 29.706 29.700 -0.003 0.000 0.750 46 E HN 0.426 nan 8.360 nan 0.000 0.477 47 D N 1.184 121.589 120.400 0.009 0.000 2.348 47 D HA 0.009 5.137 4.640 0.814 0.000 0.211 47 D C -0.302 175.998 176.300 -0.000 0.000 0.998 47 D CA 0.275 54.277 54.000 0.004 0.000 0.873 47 D CB -0.175 40.631 40.800 0.010 0.000 0.925 47 D HN 0.129 nan 8.370 nan 0.000 0.524 48 D N 0.463 120.870 120.400 0.011 0.000 2.472 48 D HA 0.056 5.184 4.640 0.814 0.000 0.237 48 D C 0.559 176.828 176.300 -0.051 0.000 1.141 48 D CA 0.498 54.498 54.000 0.001 0.000 0.875 48 D CB 1.075 41.901 40.800 0.044 0.000 1.192 48 D HN 0.101 nan 8.370 nan 0.000 0.450 49 I N 1.176 121.677 120.570 -0.115 0.000 2.493 49 I HA 0.243 4.902 4.170 0.814 0.000 0.298 49 I C -0.372 175.565 176.117 -0.300 0.000 0.998 49 I CA -1.014 60.137 61.300 -0.248 0.000 1.137 49 I CB 2.023 39.780 38.000 -0.406 0.000 1.310 49 I HN -0.072 nan 8.210 nan 0.000 0.445 50 V N 6.292 126.027 119.914 -0.299 0.000 2.326 50 V HA 0.329 4.937 4.120 0.814 0.000 0.281 50 V C -0.765 175.168 176.094 -0.267 0.000 1.015 50 V CA -0.616 61.547 62.300 -0.228 0.000 0.823 50 V CB 0.695 32.456 31.823 -0.104 0.000 1.009 50 V HN 0.401 nan 8.190 nan 0.000 0.436 51 Y N 2.751 122.971 120.300 -0.133 0.000 2.354 51 Y HA 0.847 5.886 4.550 0.814 0.000 0.322 51 Y C 1.021 176.777 175.900 -0.239 0.000 1.253 51 Y CA 0.898 58.921 58.100 -0.128 0.000 1.272 51 Y CB 1.800 40.249 38.460 -0.017 0.000 1.255 51 Y HN 0.899 nan 8.280 nan 0.000 0.500 52 G N -0.226 108.554 108.800 -0.033 0.000 2.297 52 G HA2 -0.052 4.396 3.960 0.814 0.000 0.209 52 G HA3 -0.052 4.396 3.960 0.814 0.000 0.209 52 G C -0.327 174.468 174.900 -0.175 0.000 1.267 52 G CA -0.458 44.550 45.100 -0.152 0.000 1.127 52 G HN 0.861 nan 8.290 nan 0.000 0.498 53 L N 0.015 121.129 121.223 -0.181 0.000 4.937 53 L HA -0.223 4.605 4.340 0.814 0.000 0.422 53 L C 2.431 179.306 176.870 0.009 0.000 1.059 53 L CA 1.580 56.302 54.840 -0.196 0.000 1.111 53 L CB -1.612 40.164 42.059 -0.472 0.000 2.033 53 L HN 2.924 nan 8.230 nan 0.000 0.708 54 G N 0.523 109.390 108.800 0.111 0.000 2.692 54 G HA2 -0.433 4.015 3.960 0.814 0.000 0.339 54 G HA3 -0.433 4.015 3.960 0.814 0.000 0.339 54 G C 0.155 175.168 174.900 0.187 0.000 1.226 54 G CA 0.880 46.129 45.100 0.249 0.000 0.979 54 G HN 0.588 nan 8.290 nan 0.000 0.549 55 E N 1.589 121.961 120.200 0.288 0.000 1.893 55 E HA 0.491 5.330 4.350 0.814 0.000 0.269 55 E C 0.157 176.702 176.600 -0.092 0.000 1.129 55 E CA 0.338 56.747 56.400 0.015 0.000 0.904 55 E CB -0.104 29.573 29.700 -0.038 0.000 1.077 55 E HN 0.785 nan 8.360 nan 0.000 0.407 56 S N 3.228 118.894 115.700 -0.056 0.000 2.625 56 S HA 0.350 5.308 4.470 0.814 0.000 0.271 56 S C -0.456 174.167 174.600 0.038 0.000 1.161 56 S CA -1.169 57.018 58.200 -0.021 0.000 0.820 56 S CB 1.178 64.359 63.200 -0.031 0.000 1.137 56 S HN 0.379 nan 8.310 nan 0.000 0.470 57 N N 1.234 120.024 118.700 0.150 0.000 2.340 57 N HA 0.369 5.597 4.740 0.814 0.000 0.236 57 N C 0.648 176.303 175.510 0.243 0.000 1.296 57 N CA 0.460 53.611 53.050 0.167 0.000 0.896 57 N CB -0.201 38.388 38.487 0.170 0.000 1.127 57 N HN 0.776 nan 8.380 nan 0.000 0.442 58 R N -1.388 119.197 120.500 0.141 0.000 4.105 58 R HA -0.146 4.682 4.340 0.814 0.000 0.308 58 R C 0.420 176.765 176.300 0.076 0.000 0.241 58 R CA 0.920 57.089 56.100 0.116 0.000 1.034 58 R CB -1.844 28.569 30.300 0.188 0.000 1.102 58 R HN 0.675 nan 8.270 nan 0.000 0.510 59 G N -0.426 108.415 108.800 0.069 0.000 2.537 59 G HA2 0.555 5.003 3.960 0.814 0.000 0.297 59 G HA3 0.555 5.003 3.960 0.814 0.000 0.297 59 G C 1.259 176.155 174.900 -0.008 0.000 1.310 59 G CA -0.215 44.896 45.100 0.018 0.000 1.027 59 G HN 0.425 nan 8.290 nan 0.000 0.505 60 I N -0.319 120.240 120.570 -0.018 0.000 2.202 60 I HA -0.084 4.574 4.170 0.814 0.000 0.242 60 I C 0.970 177.064 176.117 -0.038 0.000 1.091 60 I CA 0.566 61.863 61.300 -0.005 0.000 1.368 60 I CB -0.157 37.855 38.000 0.020 0.000 1.058 60 I HN 0.270 nan 8.210 nan 0.000 0.410 61 N N 2.234 120.881 118.700 -0.088 0.000 2.420 61 N HA -0.014 5.215 4.740 0.814 0.000 0.262 61 N C 0.571 176.038 175.510 -0.071 0.000 1.144 61 N CA 0.236 53.190 53.050 -0.161 0.000 0.952 61 N CB 0.803 39.200 38.487 -0.149 0.000 1.081 61 N HN 0.002 nan 8.380 nan 0.000 0.480 62 K N 2.676 123.019 120.400 -0.095 0.000 2.418 62 K HA 0.082 4.891 4.320 0.814 0.000 0.195 62 K C 0.323 177.029 176.600 0.176 0.000 1.035 62 K CA 0.188 56.457 56.287 -0.030 0.000 1.003 62 K CB 0.061 32.376 32.500 -0.310 0.000 0.793 62 K HN 0.505 nan 8.250 nan 0.000 0.494 63 R N 0.340 120.895 120.500 0.092 0.000 2.640 63 R HA 0.097 4.925 4.340 0.814 0.000 0.270 63 R C 0.917 177.328 176.300 0.184 0.000 1.024 63 R CA 1.095 57.274 56.100 0.133 0.000 1.085 63 R CB -0.047 30.287 30.300 0.056 0.000 0.963 63 R HN 0.409 nan 8.270 nan 0.000 0.426 64 G N 0.405 109.328 108.800 0.205 0.000 2.148 64 G HA2 -0.266 4.182 3.960 0.814 0.000 0.203 64 G HA3 -0.266 4.182 3.960 0.814 0.000 0.203 64 G C -0.783 174.323 174.900 0.343 0.000 0.993 64 G CA -0.098 45.122 45.100 0.201 0.000 0.661 64 G HN 0.582 nan 8.290 nan 0.000 0.518 65 Y N -1.339 119.049 120.300 0.148 0.000 2.788 65 Y HA 0.602 5.640 4.550 0.813 0.000 0.335 65 Y C -0.541 175.246 175.900 -0.188 0.000 1.287 65 Y CA -0.842 57.258 58.100 0.000 0.000 1.068 65 Y CB 0.963 39.300 38.460 -0.204 0.000 1.340 65 Y HN 0.660 nan 8.280 nan 0.000 0.449 66 C N 3.050 121.658 119.300 -1.154 0.000 2.329 66 C HA 0.804 5.752 4.460 0.814 0.000 0.329 66 C C -1.654 172.818 174.990 -0.862 0.000 1.275 66 C CA -0.443 58.062 59.018 -0.856 0.000 1.726 66 C CB -1.344 25.738 27.740 -1.097 0.000 2.291 66 C HN 0.562 nan 8.230 nan 0.000 0.514 67 Y N 5.581 125.862 120.300 -0.032 0.000 2.361 67 Y HA 0.652 5.691 4.550 0.814 0.000 0.337 67 Y C 0.181 176.152 175.900 0.118 0.000 0.965 67 Y CA -0.901 57.227 58.100 0.048 0.000 1.091 67 Y CB 0.991 39.483 38.460 0.053 0.000 1.182 67 Y HN 0.444 nan 8.280 nan 0.000 0.450 68 I N 2.563 123.243 120.570 0.183 0.000 2.355 68 I HA 0.258 4.917 4.170 0.814 0.000 0.288 68 I C -0.365 175.854 176.117 0.169 0.000 0.999 68 I CA -0.602 60.791 61.300 0.155 0.000 1.163 68 I CB 1.543 39.565 38.000 0.036 0.000 1.316 68 I HN 0.578 nan 8.210 nan 0.000 0.454 69 S N 5.501 121.349 115.700 0.247 0.000 2.429 69 S HA 0.170 5.128 4.470 0.814 0.000 0.292 69 S C 0.020 174.714 174.600 0.157 0.000 1.183 69 S CA -0.025 58.305 58.200 0.217 0.000 1.088 69 S CB -0.450 62.953 63.200 0.340 0.000 1.018 69 S HN 0.599 nan 8.310 nan 0.000 0.511 70 N N 2.496 121.261 118.700 0.109 0.000 3.151 70 N HA 0.070 5.299 4.740 0.814 0.000 0.219 70 N C -1.173 174.395 175.510 0.097 0.000 1.434 70 N CA -0.453 52.651 53.050 0.089 0.000 0.767 70 N CB -0.030 38.465 38.487 0.013 0.000 1.564 70 N HN 0.455 nan 8.380 nan 0.000 0.612 71 C N 1.972 121.373 119.300 0.167 0.000 2.409 71 C HA 0.282 5.230 4.460 0.814 0.000 0.398 71 C C 0.553 175.654 174.990 0.185 0.000 1.507 71 C CA 0.338 59.438 59.018 0.136 0.000 1.460 71 C CB -1.762 26.023 27.740 0.075 0.000 2.472 71 C HN 0.536 nan 8.230 nan 0.000 0.614 72 T N 2.333 116.928 114.554 0.068 0.000 2.952 72 T HA 0.198 5.036 4.350 0.814 0.000 0.305 72 T C -0.692 174.012 174.700 0.007 0.000 1.064 72 T CA -0.403 61.732 62.100 0.059 0.000 1.008 72 T CB 1.474 70.345 68.868 0.005 0.000 1.078 72 T HN 0.656 nan 8.240 nan 0.000 0.459 73 D N 2.506 122.993 120.400 0.145 0.000 2.402 73 D HA 0.181 5.309 4.640 0.814 0.000 0.235 73 D C -0.844 175.532 176.300 0.127 0.000 1.226 73 D CA -0.108 54.036 54.000 0.240 0.000 0.918 73 D CB 0.331 41.314 40.800 0.305 0.000 1.043 73 D HN 0.275 nan 8.370 nan 0.000 0.506 74 D N 3.822 124.215 120.400 -0.011 0.000 2.425 74 D HA 0.265 5.393 4.640 0.814 0.000 0.240 74 D C -1.827 174.560 176.300 0.145 0.000 1.080 74 D CA -2.158 51.878 54.000 0.060 0.000 0.836 74 D CB 2.245 43.059 40.800 0.024 0.000 1.125 74 D HN 0.131 nan 8.370 nan 0.000 0.525 75 P HA 0.074 nan 4.420 nan 0.000 0.222 75 P C -0.115 177.061 177.300 -0.207 0.000 1.153 75 P CA 0.558 63.661 63.100 0.005 0.000 0.798 75 P CB 0.209 31.941 31.700 0.053 0.000 0.796 76 I N -1.227 119.287 120.570 -0.093 0.000 2.428 76 I HA 0.220 4.879 4.170 0.814 0.000 0.279 76 I C -0.215 175.958 176.117 0.094 0.000 1.040 76 I CA -0.777 60.488 61.300 -0.059 0.000 1.171 76 I CB 0.135 38.202 38.000 0.113 0.000 1.312 76 I HN -0.088 nan 8.210 nan 0.000 0.470 77 H N 4.055 123.217 119.070 0.152 0.000 2.855 77 H HA 0.313 5.357 4.556 0.814 0.000 0.238 77 H C 0.374 175.932 175.328 0.384 0.000 1.847 77 H CA -0.650 55.509 56.048 0.185 0.000 1.368 77 H CB -0.120 29.679 29.762 0.062 0.000 1.758 77 H HN 0.617 nan 8.280 nan 0.000 0.546 78 T N -1.771 113.033 114.554 0.416 0.000 2.847 78 T HA 0.076 4.914 4.350 0.814 0.000 0.279 78 T C 1.355 176.175 174.700 0.201 0.000 0.984 78 T CA -0.977 61.329 62.100 0.344 0.000 0.988 78 T CB 1.668 70.679 68.868 0.239 0.000 1.040 78 T HN 0.514 nan 8.240 nan 0.000 0.528 79 E N 0.766 121.033 120.200 0.112 0.000 2.209 79 E HA -0.192 4.647 4.350 0.814 0.000 0.196 79 E C 1.758 178.299 176.600 -0.098 0.000 0.993 79 E CA 1.435 57.830 56.400 -0.009 0.000 0.819 79 E CB -0.059 29.601 29.700 -0.067 0.000 0.745 79 E HN 0.788 nan 8.360 nan 0.000 0.477 80 D N 0.654 121.057 120.400 0.005 0.000 2.277 80 D HA -0.090 5.038 4.640 0.814 0.000 0.208 80 D C 0.439 176.839 176.300 0.168 0.000 0.962 80 D CA 0.355 54.407 54.000 0.087 0.000 0.865 80 D CB 0.002 40.865 40.800 0.106 0.000 0.939 80 D HN -0.163 nan 8.370 nan 0.000 0.510 81 K N 1.275 121.749 120.400 0.124 0.000 2.484 81 K HA 0.063 4.871 4.320 0.814 0.000 0.280 81 K C 1.130 177.800 176.600 0.116 0.000 1.013 81 K CA 0.170 56.522 56.287 0.108 0.000 1.029 81 K CB 0.481 33.042 32.500 0.101 0.000 0.902 81 K HN 0.123 nan 8.250 nan 0.000 0.481 82 R N 0.421 120.956 120.500 0.057 0.000 2.308 82 R HA 0.171 4.999 4.340 0.814 0.000 0.202 82 R C -0.313 176.005 176.300 0.030 0.000 0.898 82 R CA 0.128 56.234 56.100 0.011 0.000 1.046 82 R CB 0.619 30.862 30.300 -0.094 0.000 1.026 82 R HN 0.301 nan 8.270 nan 0.000 0.512 83 S N 0.568 116.272 115.700 0.006 0.000 2.677 83 S HA 0.444 5.402 4.470 0.814 0.000 0.283 83 S C -0.542 173.990 174.600 -0.114 0.000 1.159 83 S CA -0.709 57.477 58.200 -0.023 0.000 1.001 83 S CB 1.907 65.098 63.200 -0.014 0.000 1.032 83 S HN 0.019 nan 8.310 nan 0.000 0.487 84 L N 1.056 122.172 121.223 -0.178 0.000 2.798 84 L HA 0.521 5.350 4.340 0.814 0.000 0.230 84 L C 0.670 177.318 176.870 -0.370 0.000 1.868 84 L CA -0.884 53.713 54.840 -0.406 0.000 2.126 84 L CB 0.007 41.817 42.059 -0.415 0.000 2.569 84 L HN 0.618 nan 8.230 nan 0.000 0.592 85 Y N 0.124 120.329 120.300 -0.158 0.000 2.286 85 Y HA 0.092 5.132 4.550 0.817 0.000 0.293 85 Y C 1.435 177.254 175.900 -0.135 0.000 1.124 85 Y CA 0.387 58.411 58.100 -0.126 0.000 1.178 85 Y CB -0.601 37.752 38.460 -0.178 0.000 1.010 85 Y HN 0.399 nan 8.280 nan 0.000 0.536 86 G N -0.400 108.331 108.800 -0.115 0.000 2.389 86 G HA2 0.562 5.010 3.960 0.814 0.000 0.317 86 G HA3 0.562 5.010 3.960 0.814 0.000 0.317 86 G C -1.066 173.603 174.900 -0.385 0.000 1.137 86 G CA -0.342 44.531 45.100 -0.379 0.000 0.870 86 G HN 0.253 nan 8.290 nan 0.000 0.496 87 A N 2.187 124.872 122.820 -0.224 0.000 2.399 87 A HA 0.610 5.419 4.320 0.814 0.000 0.327 87 A C -0.550 177.114 177.584 0.133 0.000 1.367 87 A CA -0.637 51.429 52.037 0.047 0.000 0.842 87 A CB 0.023 19.222 19.000 0.331 0.000 1.142 87 A HN 0.837 nan 8.150 nan 0.000 0.495 88 H N 1.786 120.942 119.070 0.144 0.000 2.736 88 H HA 0.216 5.261 4.556 0.814 0.000 0.271 88 H C -0.138 175.311 175.328 0.202 0.000 1.184 88 H CA -0.536 55.603 56.048 0.151 0.000 1.378 88 H CB 0.770 30.613 29.762 0.134 0.000 1.428 88 H HN 0.757 nan 8.280 nan 0.000 0.500 89 N N 2.971 121.965 118.700 0.489 0.000 2.623 89 N HA 0.014 5.243 4.740 0.814 0.000 0.263 89 N C -1.039 174.905 175.510 0.722 0.000 1.218 89 N CA -0.182 53.218 53.050 0.583 0.000 0.949 89 N CB 0.330 39.166 38.487 0.581 0.000 1.270 89 N HN 0.308 nan 8.380 nan 0.000 0.507 90 F N 2.690 122.803 119.950 0.273 0.000 2.427 90 F HA 0.493 5.509 4.527 0.816 0.000 0.348 90 F C -0.528 175.255 175.800 -0.029 0.000 1.125 90 F CA -1.738 56.311 58.000 0.081 0.000 0.989 90 F CB 0.534 39.342 39.000 -0.321 0.000 1.165 90 F HN -0.064 nan 8.300 nan 0.000 0.442 91 I N 4.502 124.857 120.570 -0.359 0.000 2.846 91 I HA 0.689 5.347 4.170 0.814 0.000 0.307 91 I C -1.398 174.354 176.117 -0.609 0.000 1.053 91 I CA -1.104 59.921 61.300 -0.458 0.000 1.050 91 I CB 2.600 40.526 38.000 -0.123 0.000 1.239 91 I HN 0.431 nan 8.210 nan 0.000 0.439 92 I N 4.231 124.524 120.570 -0.462 0.000 2.478 92 I HA 0.344 5.003 4.170 0.814 0.000 0.287 92 I C -0.576 175.361 176.117 -0.300 0.000 1.042 92 I CA -1.054 60.022 61.300 -0.373 0.000 1.067 92 I CB 2.031 39.888 38.000 -0.239 0.000 1.233 92 I HN 0.316 nan 8.210 nan 0.000 0.431 93 V N 4.545 124.127 119.914 -0.555 0.000 2.455 93 V HA 0.155 4.764 4.120 0.814 0.000 0.273 93 V C 0.482 176.378 176.094 -0.331 0.000 1.045 93 V CA 0.125 62.122 62.300 -0.504 0.000 0.976 93 V CB 1.259 32.547 31.823 -0.892 0.000 0.993 93 V HN 0.795 nan 8.190 nan 0.000 0.475 94 S N 3.830 119.448 115.700 -0.135 0.000 2.669 94 S HA 0.831 5.789 4.470 0.814 0.000 0.315 94 S C 0.110 174.709 174.600 -0.000 0.000 1.106 94 S CA 0.308 58.498 58.200 -0.016 0.000 1.107 94 S CB 0.666 63.967 63.200 0.169 0.000 0.990 94 S HN 1.162 nan 8.310 nan 0.000 0.471 95 G N 3.704 112.516 108.800 0.020 0.000 2.529 95 G HA2 0.225 4.674 3.960 0.814 0.000 0.238 95 G HA3 0.225 4.674 3.960 0.814 0.000 0.238 95 G C -0.032 174.906 174.900 0.063 0.000 1.207 95 G CA -0.552 44.574 45.100 0.044 0.000 0.928 95 G HN 0.487 nan 8.290 nan 0.000 0.495 96 K N -0.414 120.031 120.400 0.075 0.000 2.032 96 K HA 0.004 4.813 4.320 0.814 0.000 0.209 96 K C 0.535 177.202 176.600 0.112 0.000 1.048 96 K CA 1.578 57.916 56.287 0.085 0.000 0.927 96 K CB -0.285 32.264 32.500 0.082 0.000 0.712 96 K HN 0.307 nan 8.250 nan 0.000 0.441 97 T N 1.184 115.830 114.554 0.152 0.000 2.771 97 T HA 0.254 5.092 4.350 0.814 0.000 0.281 97 T C -0.510 174.276 174.700 0.145 0.000 0.982 97 T CA -0.489 61.730 62.100 0.197 0.000 0.978 97 T CB 1.882 70.936 68.868 0.310 0.000 0.930 97 T HN -0.076 nan 8.240 nan 0.000 0.447 98 T N 4.529 119.150 114.554 0.111 0.000 2.848 98 T HA 0.760 5.599 4.350 0.814 0.000 0.285 98 T C -1.027 173.692 174.700 0.032 0.000 0.995 98 T CA -0.651 61.440 62.100 -0.014 0.000 0.970 98 T CB 0.406 69.276 68.868 0.003 0.000 0.976 98 T HN 0.583 nan 8.240 nan 0.000 0.441 99 F N -0.563 119.249 119.950 -0.229 0.000 2.725 99 F HA 0.755 5.770 4.527 0.814 0.000 0.309 99 F C -0.387 175.320 175.800 -0.155 0.000 1.132 99 F CA -1.371 56.490 58.000 -0.231 0.000 0.957 99 F CB 0.700 39.374 39.000 -0.543 0.000 1.286 99 F HN 0.708 nan 8.300 nan 0.000 0.440 100 G N 1.821 110.672 108.800 0.086 0.000 2.400 100 G HA2 0.720 5.168 3.960 0.814 0.000 0.333 100 G HA3 0.720 5.168 3.960 0.814 0.000 0.333 100 G C -1.885 173.150 174.900 0.226 0.000 1.143 100 G CA -1.156 43.973 45.100 0.048 0.000 0.914 100 G HN 0.798 nan 8.290 nan 0.000 0.480 101 L N 1.140 122.464 121.223 0.168 0.000 2.409 101 L HA 0.445 5.273 4.340 0.814 0.000 0.272 101 L C -1.325 175.762 176.870 0.361 0.000 0.980 101 L CA -0.795 54.155 54.840 0.184 0.000 0.826 101 L CB 2.375 44.449 42.059 0.026 0.000 1.268 101 L HN 0.483 nan 8.230 nan 0.000 0.407 102 F N 3.464 123.525 119.950 0.185 0.000 2.427 102 F HA 0.535 5.552 4.527 0.815 0.000 0.346 102 F C -0.920 174.991 175.800 0.186 0.000 1.120 102 F CA -1.031 57.128 58.000 0.266 0.000 1.033 102 F CB 0.935 40.084 39.000 0.248 0.000 1.126 102 F HN 0.145 nan 8.300 nan 0.000 0.462 103 F N 4.849 124.669 119.950 -0.217 0.000 2.303 103 F HA 0.194 5.208 4.527 0.813 0.000 0.368 103 F C 0.283 175.734 175.800 -0.582 0.000 1.105 103 F CA -0.680 57.167 58.000 -0.254 0.000 1.153 103 F CB 0.331 39.306 39.000 -0.042 0.000 1.362 103 F HN 0.352 nan 8.300 nan 0.000 0.511 104 D N 3.883 124.040 120.400 -0.406 0.000 2.435 104 D HA 0.066 5.194 4.640 0.814 0.000 0.230 104 D C -1.387 175.071 176.300 0.263 0.000 1.215 104 D CA 0.300 54.227 54.000 -0.121 0.000 0.947 104 D CB -0.171 40.790 40.800 0.268 0.000 1.048 104 D HN 0.384 nan 8.370 nan 0.000 0.512 105 Y N 3.530 123.943 120.300 0.189 0.000 2.441 105 Y HA 0.389 5.428 4.550 0.815 0.000 0.334 105 Y C -2.365 173.626 175.900 0.151 0.000 1.061 105 Y CA -2.051 56.130 58.100 0.134 0.000 1.032 105 Y CB 2.401 40.892 38.460 0.050 0.000 1.266 105 Y HN 0.102 nan 8.280 nan 0.000 0.441 106 P HA 0.194 nan 4.420 nan 0.000 0.261 106 P C -0.131 176.849 177.300 -0.534 0.000 1.268 106 P CA 0.640 63.432 63.100 -0.514 0.000 0.833 106 P CB 0.930 32.309 31.700 -0.534 0.000 1.231 107 S N -0.578 114.662 115.700 -0.767 0.000 2.855 107 S HA 0.439 5.397 4.470 0.814 0.000 0.308 107 S C -0.498 174.090 174.600 -0.020 0.000 1.077 107 S CA -0.810 57.133 58.200 -0.428 0.000 0.896 107 S CB 0.528 63.429 63.200 -0.499 0.000 1.339 107 S HN -0.212 nan 8.310 nan 0.000 0.602 108 K N 1.392 121.829 120.400 0.062 0.000 2.395 108 K HA 0.229 5.037 4.320 0.814 0.000 0.283 108 K C -1.295 175.418 176.600 0.189 0.000 1.068 108 K CA 0.032 56.382 56.287 0.106 0.000 1.039 108 K CB -0.189 32.331 32.500 0.034 0.000 0.924 108 K HN 0.325 nan 8.250 nan 0.000 0.468 109 L N 4.646 125.962 121.223 0.154 0.000 2.349 109 L HA 0.360 5.189 4.340 0.814 0.000 0.278 109 L C -1.070 175.756 176.870 -0.073 0.000 0.996 109 L CA 0.025 54.880 54.840 0.024 0.000 0.825 109 L CB 2.061 44.167 42.059 0.079 0.000 1.243 109 L HN 0.585 nan 8.230 nan 0.000 0.412 110 T N 5.797 120.226 114.554 -0.207 0.000 2.743 110 T HA 0.451 5.290 4.350 0.814 0.000 0.292 110 T C -0.483 174.049 174.700 -0.280 0.000 0.972 110 T CA 0.188 62.203 62.100 -0.141 0.000 0.967 110 T CB -0.082 68.719 68.868 -0.112 0.000 0.926 110 T HN 0.237 nan 8.240 nan 0.000 0.459 111 F N 2.768 122.718 119.950 0.000 0.000 2.335 111 F HA 0.236 5.252 4.527 0.814 0.000 0.365 111 F C 0.881 176.729 175.800 0.079 0.000 1.122 111 F CA -1.043 56.984 58.000 0.045 0.000 1.151 111 F CB 0.631 39.692 39.000 0.102 0.000 1.282 111 F HN 0.417 nan 8.300 nan 0.000 0.513 112 D N 5.772 126.256 120.400 0.141 0.000 2.441 112 D HA 0.191 5.320 4.640 0.814 0.000 0.221 112 D C -0.126 176.286 176.300 0.185 0.000 1.156 112 D CA -0.035 54.028 54.000 0.105 0.000 0.896 112 D CB 0.398 41.224 40.800 0.044 0.000 1.028 112 D HN 0.439 nan 8.370 nan 0.000 0.509 113 I N 2.974 123.697 120.570 0.255 0.000 2.417 113 I HA 0.249 4.908 4.170 0.814 0.000 0.283 113 I C 1.435 177.681 176.117 0.216 0.000 1.121 113 I CA -0.615 60.844 61.300 0.264 0.000 1.211 113 I CB 0.701 38.904 38.000 0.339 0.000 1.492 113 I HN 0.575 nan 8.210 nan 0.000 0.522 114 G N 3.502 112.395 108.800 0.156 0.000 2.184 114 G HA2 -0.409 4.039 3.960 0.814 0.000 0.264 114 G HA3 -0.409 4.039 3.960 0.814 0.000 0.264 114 G C 0.689 175.652 174.900 0.105 0.000 0.975 114 G CA 0.786 45.951 45.100 0.109 0.000 0.642 114 G HN 0.620 nan 8.290 nan 0.000 0.536 115 Y N 1.395 121.703 120.300 0.013 0.000 2.089 115 Y HA -0.088 4.950 4.550 0.814 0.000 0.282 115 Y C 2.908 178.789 175.900 -0.032 0.000 1.139 115 Y CA 3.092 61.171 58.100 -0.035 0.000 1.123 115 Y CB -0.335 38.024 38.460 -0.168 0.000 0.980 115 Y HN 0.224 nan 8.280 nan 0.000 0.493 116 T N 0.670 115.245 114.554 0.034 0.000 2.698 116 T HA 0.018 4.856 4.350 0.814 0.000 0.260 116 T C 0.655 175.298 174.700 -0.096 0.000 1.044 116 T CA 0.916 62.980 62.100 -0.061 0.000 1.149 116 T CB -0.138 68.764 68.868 0.055 0.000 0.864 116 T HN 0.068 nan 8.240 nan 0.000 0.419 117 R N 0.839 121.313 120.500 -0.042 0.000 2.599 117 R HA 0.357 5.186 4.340 0.814 0.000 0.295 117 R C 1.116 177.401 176.300 -0.025 0.000 0.963 117 R CA -0.358 55.714 56.100 -0.045 0.000 0.883 117 R CB 1.313 31.590 30.300 -0.038 0.000 1.171 117 R HN 0.181 nan 8.270 nan 0.000 0.450 118 M N 2.334 121.916 119.600 -0.030 0.000 2.149 118 M HA -0.170 4.798 4.480 0.814 0.000 0.261 118 M C 0.478 176.781 176.300 0.004 0.000 1.064 118 M CA 2.313 57.607 55.300 -0.010 0.000 1.102 118 M CB -0.122 32.468 32.600 -0.017 0.000 1.369 118 M HN 0.596 nan 8.290 nan 0.000 0.408 119 D N -0.827 119.566 120.400 -0.011 0.000 2.339 119 D HA 0.050 5.178 4.640 0.814 0.000 0.217 119 D C -0.271 176.020 176.300 -0.016 0.000 1.050 119 D CA 0.155 54.146 54.000 -0.015 0.000 0.856 119 D CB -0.360 40.418 40.800 -0.036 0.000 0.922 119 D HN 0.162 nan 8.370 nan 0.000 0.518 120 T N 1.091 115.644 114.554 -0.001 0.000 2.797 120 T HA 0.453 5.292 4.350 0.814 0.000 0.279 120 T C -0.770 173.961 174.700 0.052 0.000 0.991 120 T CA -0.769 61.329 62.100 -0.004 0.000 0.979 120 T CB 1.766 70.617 68.868 -0.029 0.000 0.943 120 T HN 0.068 nan 8.240 nan 0.000 0.444 121 L N 3.571 124.844 121.223 0.085 0.000 2.287 121 L HA 0.700 5.529 4.340 0.814 0.000 0.287 121 L C -0.441 176.469 176.870 0.065 0.000 1.022 121 L CA -0.310 54.622 54.840 0.153 0.000 0.814 121 L CB 0.875 43.113 42.059 0.298 0.000 1.217 121 L HN 0.558 nan 8.230 nan 0.000 0.420 122 K N 4.644 125.083 120.400 0.065 0.000 2.578 122 K HA 0.620 5.428 4.320 0.814 0.000 0.250 122 K C -1.945 174.642 176.600 -0.023 0.000 0.955 122 K CA -0.618 55.657 56.287 -0.020 0.000 0.825 122 K CB 1.648 34.112 32.500 -0.059 0.000 1.151 122 K HN 0.513 nan 8.250 nan 0.000 0.432 123 V N 3.578 123.473 119.914 -0.031 0.000 2.370 123 V HA 0.461 5.069 4.120 0.814 0.000 0.283 123 V C -0.454 175.496 176.094 -0.241 0.000 1.023 123 V CA -0.548 61.560 62.300 -0.320 0.000 0.857 123 V CB 1.162 32.578 31.823 -0.678 0.000 0.985 123 V HN 0.899 nan 8.190 nan 0.000 0.443 124 S N 3.923 119.456 115.700 -0.277 0.000 2.569 124 S HA 0.892 5.850 4.470 0.814 0.000 0.280 124 S C -0.535 173.961 174.600 -0.172 0.000 1.111 124 S CA -0.667 57.446 58.200 -0.144 0.000 0.887 124 S CB 1.942 65.064 63.200 -0.130 0.000 1.095 124 S HN 1.203 nan 8.310 nan 0.000 0.476 125 C N 0.143 119.371 119.300 -0.120 0.000 3.340 125 C HA 0.676 5.625 4.460 0.814 0.000 0.333 125 C C 1.087 176.028 174.990 -0.081 0.000 1.464 125 C CA -0.722 58.193 59.018 -0.172 0.000 1.337 125 C CB 0.418 27.827 27.740 -0.552 0.000 1.740 125 C HN 0.991 nan 8.230 nan 0.000 0.450 126 E N 0.609 120.806 120.200 -0.005 0.000 2.170 126 E HA 0.025 4.863 4.350 0.814 0.000 0.191 126 E C -0.168 176.460 176.600 0.048 0.000 0.981 126 E CA 0.841 57.261 56.400 0.034 0.000 0.830 126 E CB 0.088 29.826 29.700 0.064 0.000 0.775 126 E HN 0.571 nan 8.360 nan 0.000 0.470 127 N N 0.082 118.822 118.700 0.066 0.000 2.354 127 N HA 0.246 5.474 4.740 0.814 0.000 0.287 127 N C -0.987 174.534 175.510 0.019 0.000 1.016 127 N CA -0.163 52.943 53.050 0.092 0.000 0.871 127 N CB 1.900 40.505 38.487 0.197 0.000 1.299 127 N HN -0.073 nan 8.380 nan 0.000 0.482 128 A N 1.625 124.486 122.820 0.068 0.000 3.029 128 A HA 0.093 4.901 4.320 0.814 0.000 0.251 128 A C -0.370 177.273 177.584 0.099 0.000 1.749 128 A CA 0.016 52.099 52.037 0.077 0.000 1.386 128 A CB -0.563 18.540 19.000 0.173 0.000 1.043 128 A HN 0.456 nan 8.150 nan 0.000 0.638 129 D N 1.543 121.998 120.400 0.092 0.000 2.404 129 D HA 0.502 5.631 4.640 0.814 0.000 0.267 129 D C -0.598 175.829 176.300 0.212 0.000 1.194 129 D CA 0.103 54.205 54.000 0.170 0.000 0.910 129 D CB 1.033 41.955 40.800 0.202 0.000 1.090 129 D HN 0.577 nan 8.370 nan 0.000 0.511 130 L N -1.535 119.771 121.223 0.139 0.000 2.794 130 L HA 0.568 5.396 4.340 0.814 0.000 0.261 130 L C -1.781 175.157 176.870 0.115 0.000 0.989 130 L CA -1.036 53.888 54.840 0.139 0.000 0.900 130 L CB 2.431 44.483 42.059 -0.013 0.000 1.473 130 L HN -0.269 nan 8.230 nan 0.000 0.414 131 D N 2.133 122.597 120.400 0.108 0.000 2.175 131 D HA 0.668 5.797 4.640 0.814 0.000 0.248 131 D C -0.633 175.662 176.300 -0.009 0.000 1.047 131 D CA 0.181 54.194 54.000 0.022 0.000 0.883 131 D CB 2.709 43.506 40.800 -0.005 0.000 1.180 131 D HN 0.509 nan 8.370 nan 0.000 0.438 132 I N 2.379 122.933 120.570 -0.027 0.000 2.382 132 I HA 0.195 4.853 4.170 0.814 0.000 0.286 132 I C -0.720 175.398 176.117 0.002 0.000 1.002 132 I CA -0.863 60.407 61.300 -0.050 0.000 1.135 132 I CB 0.932 38.917 38.000 -0.025 0.000 1.288 132 I HN 0.146 nan 8.210 nan 0.000 0.448 133 Y N 5.359 125.758 120.300 0.166 0.000 2.327 133 Y HA 0.395 5.435 4.550 0.816 0.000 0.336 133 Y C 0.196 176.225 175.900 0.215 0.000 1.035 133 Y CA -0.646 57.600 58.100 0.243 0.000 1.165 133 Y CB 1.290 39.949 38.460 0.330 0.000 1.181 133 Y HN 0.208 nan 8.280 nan 0.000 0.494 134 V N 6.074 126.186 119.914 0.330 0.000 2.398 134 V HA 0.401 5.009 4.120 0.814 0.000 0.286 134 V C -0.099 176.152 176.094 0.262 0.000 1.026 134 V CA -0.809 61.641 62.300 0.250 0.000 0.868 134 V CB 1.184 33.070 31.823 0.106 0.000 0.982 134 V HN 0.587 nan 8.190 nan 0.000 0.443 135 I N 4.417 125.151 120.570 0.274 0.000 2.436 135 I HA 0.501 5.160 4.170 0.814 0.000 0.289 135 I C -0.265 175.978 176.117 0.210 0.000 1.010 135 I CA -0.644 60.795 61.300 0.231 0.000 1.098 135 I CB 1.994 40.141 38.000 0.245 0.000 1.266 135 I HN 0.512 nan 8.210 nan 0.000 0.434 136 E N 4.193 124.491 120.200 0.163 0.000 2.222 136 E HA 0.813 5.651 4.350 0.814 0.000 0.272 136 E C -0.102 176.552 176.600 0.089 0.000 0.982 136 E CA -0.598 55.890 56.400 0.147 0.000 0.842 136 E CB 2.559 32.335 29.700 0.128 0.000 1.144 136 E HN 0.854 nan 8.360 nan 0.000 0.397 137 G N 0.613 109.457 108.800 0.072 0.000 2.466 137 G HA2 0.086 4.534 3.960 0.814 0.000 0.291 137 G HA3 0.086 4.534 3.960 0.814 0.000 0.291 137 G C 0.087 175.000 174.900 0.022 0.000 1.460 137 G CA -0.536 44.581 45.100 0.027 0.000 0.791 137 G HN 0.261 nan 8.290 nan 0.000 0.505 138 E N -0.425 119.776 120.200 0.001 0.000 2.150 138 E HA -0.051 4.787 4.350 0.814 0.000 0.193 138 E C 0.865 177.464 176.600 -0.003 0.000 0.985 138 E CA 1.753 58.156 56.400 0.005 0.000 0.814 138 E CB 0.019 29.717 29.700 -0.003 0.000 0.752 138 E HN 0.624 nan 8.360 nan 0.000 0.466 139 N N -2.951 115.728 118.700 -0.036 0.000 3.020 139 N HA 0.334 5.562 4.740 0.814 0.000 0.248 139 N C 0.281 175.705 175.510 -0.142 0.000 1.480 139 N CA 0.049 53.062 53.050 -0.061 0.000 0.874 139 N CB 0.453 38.908 38.487 -0.053 0.000 1.433 139 N HN -0.169 nan 8.380 nan 0.000 0.530 140 A N -0.431 122.259 122.820 -0.217 0.000 1.892 140 A HA -0.225 4.583 4.320 0.814 0.000 0.218 140 A C 1.723 178.928 177.584 -0.631 0.000 1.188 140 A CA 1.846 53.648 52.037 -0.392 0.000 0.631 140 A CB -1.379 17.334 19.000 -0.479 0.000 0.822 140 A HN 0.696 nan 8.150 nan 0.000 0.447 141 Y N 1.260 120.912 120.300 -1.081 0.000 2.224 141 Y HA -0.186 4.852 4.550 0.812 0.000 0.289 141 Y C 1.767 177.453 175.900 -0.357 0.000 1.146 141 Y CA 1.661 59.204 58.100 -0.929 0.000 1.182 141 Y CB -0.568 37.515 38.460 -0.627 0.000 0.983 141 Y HN 0.392 nan 8.280 nan 0.000 0.524 142 D N -0.118 120.114 120.400 -0.279 0.000 2.117 142 D HA -0.153 4.975 4.640 0.814 0.000 0.198 142 D C 2.371 178.585 176.300 -0.143 0.000 0.982 142 D CA 1.538 55.391 54.000 -0.244 0.000 0.828 142 D CB -0.352 40.358 40.800 -0.150 0.000 0.967 142 D HN 0.408 nan 8.370 nan 0.000 0.464 143 I N 0.143 120.661 120.570 -0.086 0.000 2.286 143 I HA -0.208 4.450 4.170 0.814 0.000 0.248 143 I C 2.209 178.404 176.117 0.130 0.000 1.115 143 I CA 0.509 61.829 61.300 0.033 0.000 1.392 143 I CB 0.076 38.105 38.000 0.047 0.000 1.065 143 I HN -0.100 nan 8.210 nan 0.000 0.418 144 V N 0.677 120.658 119.914 0.112 0.000 2.358 144 V HA -0.254 4.354 4.120 0.814 0.000 0.246 144 V C 2.337 178.503 176.094 0.119 0.000 1.047 144 V CA 1.700 64.156 62.300 0.260 0.000 1.035 144 V CB -0.648 31.383 31.823 0.347 0.000 0.658 144 V HN 0.381 nan 8.190 nan 0.000 0.452 145 K N -0.206 120.177 120.400 -0.029 0.000 2.097 145 K HA -0.191 4.617 4.320 0.814 0.000 0.205 145 K C 2.248 178.790 176.600 -0.096 0.000 1.050 145 K CA 1.389 57.612 56.287 -0.106 0.000 0.938 145 K CB -0.182 32.172 32.500 -0.244 0.000 0.718 145 K HN 0.555 nan 8.250 nan 0.000 0.442 146 Q N -0.230 119.535 119.800 -0.059 0.000 2.119 146 Q HA -0.139 4.690 4.340 0.814 0.000 0.201 146 Q C 1.911 177.871 176.000 -0.067 0.000 0.972 146 Q CA 1.190 56.961 55.803 -0.052 0.000 0.847 146 Q CB -0.146 28.587 28.738 -0.008 0.000 0.903 146 Q HN 0.224 nan 8.270 nan 0.000 0.433 147 F N 1.618 121.430 119.950 -0.230 0.000 2.134 147 F HA -0.151 4.866 4.527 0.817 0.000 0.299 147 F C 2.125 177.665 175.800 -0.432 0.000 1.097 147 F CA 1.249 58.983 58.000 -0.442 0.000 1.264 147 F CB 0.077 38.591 39.000 -0.810 0.000 1.001 147 F HN -0.107 nan 8.300 nan 0.000 0.479 148 R N 0.320 120.638 120.500 -0.304 0.000 2.105 148 R HA -0.180 4.648 4.340 0.814 0.000 0.239 148 R C 2.407 178.492 176.300 -0.359 0.000 1.135 148 R CA 1.420 57.301 56.100 -0.365 0.000 0.967 148 R CB -0.965 29.223 30.300 -0.188 0.000 0.861 148 R HN 0.361 nan 8.270 nan 0.000 0.442 149 R N 1.043 121.377 120.500 -0.277 0.000 2.073 149 R HA -0.101 4.727 4.340 0.814 0.000 0.234 149 R C 2.122 178.258 176.300 -0.273 0.000 1.134 149 R CA 1.890 57.853 56.100 -0.229 0.000 0.952 149 R CB -0.091 30.111 30.300 -0.164 0.000 0.850 149 R HN 0.198 nan 8.270 nan 0.000 0.433 150 V N -0.340 119.359 119.914 -0.358 0.000 3.129 150 V HA -0.012 4.596 4.120 0.814 0.000 0.259 150 V C 1.918 177.752 176.094 -0.433 0.000 1.116 150 V CA 1.215 63.305 62.300 -0.350 0.000 1.127 150 V CB -0.590 31.040 31.823 -0.321 0.000 0.742 150 V HN 0.445 nan 8.190 nan 0.000 0.474 151 I N -0.957 119.248 120.570 -0.609 0.000 3.793 151 I HA 0.694 5.352 4.170 0.814 0.000 0.315 151 I C 1.016 177.015 176.117 -0.196 0.000 1.275 151 I CA 0.364 61.344 61.300 -0.533 0.000 1.214 151 I CB -0.754 36.660 38.000 -0.977 0.000 1.018 151 I HN 0.411 nan 8.210 nan 0.000 0.439 152 G N 2.344 111.016 108.800 -0.213 0.000 2.755 152 G HA2 -0.281 4.167 3.960 0.814 0.000 0.686 152 G HA3 -0.281 4.167 3.960 0.814 0.000 0.686 152 G C -0.179 174.652 174.900 -0.114 0.000 1.427 152 G CA -0.197 44.812 45.100 -0.151 0.000 0.873 152 G HN 0.775 nan 8.290 nan 0.000 0.580 153 R N 0.570 120.982 120.500 -0.147 0.000 2.523 153 R HA 0.267 5.095 4.340 0.814 0.000 0.281 153 R C 0.837 177.044 176.300 -0.155 0.000 0.969 153 R CA 0.631 56.642 56.100 -0.148 0.000 1.093 153 R CB -0.033 30.183 30.300 -0.141 0.000 0.917 153 R HN 0.622 nan 8.270 nan 0.000 0.408 154 S N 3.802 119.438 115.700 -0.108 0.000 2.562 154 S HA -0.059 4.899 4.470 0.814 0.000 0.281 154 S C -0.529 174.047 174.600 -0.041 0.000 1.333 154 S CA -0.434 57.735 58.200 -0.052 0.000 1.052 154 S CB 0.297 63.474 63.200 -0.039 0.000 0.884 154 S HN 0.535 nan 8.310 nan 0.000 0.506 155 Y N 2.746 122.995 120.300 -0.085 0.000 3.119 155 Y HA -0.046 4.953 4.550 0.748 0.000 0.348 155 Y C -0.380 175.586 175.900 0.110 0.000 1.267 155 Y CA 0.637 58.752 58.100 0.026 0.000 1.578 155 Y CB -0.054 38.472 38.460 0.109 0.000 1.198 155 Y HN 0.478 nan 8.280 nan 0.000 0.615 156 I N 8.810 128.870 120.570 -0.849 0.000 2.499 156 I HA 0.337 4.995 4.170 0.814 0.000 0.288 156 I C -2.357 173.169 176.117 -0.986 0.000 1.048 156 I CA -2.187 58.753 61.300 -0.600 0.000 1.062 156 I CB 2.083 39.925 38.000 -0.265 0.000 1.238 156 I HN 0.506 nan 8.210 nan 0.000 0.426 157 P HA 0.385 nan 4.420 nan 0.000 0.281 157 P C -2.715 174.389 177.300 -0.328 0.000 1.264 157 P CA -2.120 60.626 63.100 -0.590 0.000 0.824 157 P CB 0.110 31.325 31.700 -0.808 0.000 1.092 158 P HA 0.057 nan 4.420 nan 0.000 0.272 158 P C 0.772 177.847 177.300 -0.375 0.000 1.230 158 P CA -0.131 62.753 63.100 -0.360 0.000 0.788 158 P CB 0.944 32.350 31.700 -0.489 0.000 0.949 159 K N 1.322 121.556 120.400 -0.276 0.000 2.209 159 K HA -0.156 4.652 4.320 0.814 0.000 0.204 159 K C 1.879 178.361 176.600 -0.196 0.000 1.048 159 K CA 1.379 57.436 56.287 -0.383 0.000 0.940 159 K CB -0.602 31.484 32.500 -0.690 0.000 0.729 159 K HN 0.464 nan 8.250 nan 0.000 0.451 160 F N -0.257 119.624 119.950 -0.115 0.000 2.269 160 F HA 0.038 5.048 4.527 0.804 0.000 0.301 160 F C 1.738 177.510 175.800 -0.047 0.000 1.082 160 F CA 0.684 58.633 58.000 -0.084 0.000 1.360 160 F CB -0.869 38.065 39.000 -0.109 0.000 1.041 160 F HN -0.074 nan 8.300 nan 0.000 0.512 161 A N -0.357 122.105 122.820 -0.596 0.000 2.216 161 A HA 0.038 4.847 4.320 0.814 0.000 0.214 161 A C 1.464 178.930 177.584 -0.198 0.000 1.160 161 A CA 0.588 52.400 52.037 -0.375 0.000 0.725 161 A CB -1.587 17.031 19.000 -0.637 0.000 0.784 161 A HN 0.490 nan 8.150 nan 0.000 0.472 162 F N -0.258 119.600 119.950 -0.153 0.000 2.732 162 F HA 0.248 5.258 4.527 0.805 0.000 0.303 162 F C 1.771 177.454 175.800 -0.196 0.000 1.110 162 F CA -0.068 57.864 58.000 -0.114 0.000 1.355 162 F CB 0.046 38.973 39.000 -0.122 0.000 1.081 162 F HN 0.252 nan 8.300 nan 0.000 0.565 163 G N -0.260 108.521 108.800 -0.032 0.000 2.516 163 G HA2 0.182 4.630 3.960 0.814 0.000 0.276 163 G HA3 0.182 4.630 3.960 0.814 0.000 0.276 163 G C -1.208 173.731 174.900 0.065 0.000 1.390 163 G CA -0.324 44.698 45.100 -0.129 0.000 1.050 163 G HN 0.064 nan 8.290 nan 0.000 0.519 164 F N -0.163 119.890 119.950 0.173 0.000 2.422 164 F HA 0.678 5.695 4.527 0.817 0.000 0.333 164 F C 0.330 176.203 175.800 0.121 0.000 1.095 164 F CA -0.597 57.513 58.000 0.184 0.000 1.038 164 F CB 1.789 40.979 39.000 0.317 0.000 1.156 164 F HN 0.580 nan 8.300 nan 0.000 0.483 165 G N 3.836 112.087 108.800 -0.915 0.000 2.524 165 G HA2 0.487 4.935 3.960 0.814 0.000 0.310 165 G HA3 0.487 4.935 3.960 0.814 0.000 0.310 165 G C -2.154 172.292 174.900 -0.757 0.000 1.279 165 G CA -0.694 44.068 45.100 -0.564 0.000 0.974 165 G HN 0.703 nan 8.290 nan 0.000 0.484 166 Q N 0.190 119.808 119.800 -0.304 0.000 2.312 166 Q HA 0.717 5.546 4.340 0.814 0.000 0.263 166 Q C -0.585 175.506 176.000 0.151 0.000 0.995 166 Q CA -0.546 55.216 55.803 -0.069 0.000 0.853 166 Q CB 1.991 30.747 28.738 0.029 0.000 1.300 166 Q HN 0.609 nan 8.270 nan 0.000 0.448 167 S N 3.187 119.005 115.700 0.197 0.000 2.564 167 S HA 0.880 5.838 4.470 0.814 0.000 0.274 167 S C -1.899 172.848 174.600 0.244 0.000 1.124 167 S CA -0.745 57.635 58.200 0.299 0.000 0.869 167 S CB 1.131 64.405 63.200 0.123 0.000 1.105 167 S HN 0.737 nan 8.310 nan 0.000 0.472 168 R N 2.083 122.724 120.500 0.235 0.000 2.979 168 R HA 0.182 5.010 4.340 0.814 0.000 0.245 168 R C -2.306 173.973 176.300 -0.036 0.000 1.104 168 R CA -0.633 55.324 56.100 -0.237 0.000 1.056 168 R CB 0.294 30.370 30.300 -0.373 0.000 1.265 168 R HN 0.668 nan 8.270 nan 0.000 0.470 169 Y N 4.187 124.370 120.300 -0.196 0.000 2.697 169 Y HA 0.389 5.429 4.550 0.816 0.000 0.349 169 Y C 0.615 176.431 175.900 -0.141 0.000 1.120 169 Y CA 1.515 59.593 58.100 -0.037 0.000 1.468 169 Y CB 0.481 38.951 38.460 0.017 0.000 1.182 169 Y HN 0.827 nan 8.280 nan 0.000 0.525 170 G N 4.668 113.563 108.800 0.159 0.000 4.003 170 G HA2 -0.170 4.278 3.960 0.814 0.000 0.204 170 G HA3 -0.170 4.278 3.960 0.814 0.000 0.204 170 G C -0.524 174.364 174.900 -0.019 0.000 1.077 170 G CA -0.542 44.495 45.100 -0.105 0.000 0.872 170 G HN 0.390 nan 8.290 nan 0.000 0.350 171 Y N 1.992 122.326 120.300 0.057 0.000 2.890 171 Y HA 0.356 5.395 4.550 0.814 0.000 0.341 171 Y C 1.845 177.842 175.900 0.162 0.000 1.269 171 Y CA 1.746 59.823 58.100 -0.038 0.000 1.517 171 Y CB 0.608 38.855 38.460 -0.354 0.000 1.314 171 Y HN 0.159 nan 8.280 nan 0.000 0.622 172 T N -1.772 113.001 114.554 0.365 0.000 3.491 172 T HA 0.038 4.877 4.350 0.814 0.000 0.284 172 T C 0.174 175.085 174.700 0.351 0.000 0.905 172 T CA 0.447 62.776 62.100 0.381 0.000 1.017 172 T CB 0.149 69.135 68.868 0.196 0.000 1.202 172 T HN 0.685 nan 8.240 nan 0.000 0.518 173 T N 0.344 115.030 114.554 0.221 0.000 2.925 173 T HA 0.551 5.389 4.350 0.814 0.000 0.285 173 T C 0.742 175.504 174.700 0.103 0.000 1.021 173 T CA -0.700 61.383 62.100 -0.028 0.000 1.042 173 T CB 2.208 71.038 68.868 -0.063 0.000 1.037 173 T HN -0.042 nan 8.240 nan 0.000 0.481 174 K N 0.196 120.416 120.400 -0.300 0.000 2.304 174 K HA -0.168 4.640 4.320 0.814 0.000 0.204 174 K C 2.037 178.727 176.600 0.151 0.000 1.044 174 K CA 1.498 57.668 56.287 -0.195 0.000 0.932 174 K CB 0.031 32.240 32.500 -0.485 0.000 0.735 174 K HN 0.532 nan 8.250 nan 0.000 0.468 175 E N 0.551 120.808 120.200 0.095 0.000 2.086 175 E HA -0.105 4.734 4.350 0.814 0.000 0.190 175 E C 1.471 178.159 176.600 0.146 0.000 0.975 175 E CA 0.902 57.368 56.400 0.111 0.000 0.813 175 E CB -0.118 29.608 29.700 0.043 0.000 0.768 175 E HN 0.267 nan 8.360 nan 0.000 0.457 176 D N 0.211 120.701 120.400 0.150 0.000 2.158 176 D HA -0.178 4.950 4.640 0.814 0.000 0.197 176 D C 1.763 178.068 176.300 0.009 0.000 0.995 176 D CA 0.979 55.051 54.000 0.120 0.000 0.846 176 D CB -0.422 40.474 40.800 0.160 0.000 0.941 176 D HN 0.184 nan 8.370 nan 0.000 0.456 177 F N 0.375 120.411 119.950 0.144 0.000 2.187 177 F HA 0.105 5.121 4.527 0.814 0.000 0.295 177 F C 2.485 178.354 175.800 0.115 0.000 1.091 177 F CA 0.550 58.613 58.000 0.105 0.000 1.308 177 F CB -0.091 39.089 39.000 0.299 0.000 1.030 177 F HN -0.208 nan 8.300 nan 0.000 0.487 178 R N -0.015 120.687 120.500 0.337 0.000 2.148 178 R HA -0.062 4.767 4.340 0.814 0.000 0.227 178 R C 2.342 178.714 176.300 0.120 0.000 1.103 178 R CA 0.903 57.130 56.100 0.212 0.000 0.983 178 R CB -0.514 29.905 30.300 0.198 0.000 0.874 178 R HN 0.262 nan 8.270 nan 0.000 0.451 179 A N 0.544 123.423 122.820 0.099 0.000 1.877 179 A HA -0.116 4.692 4.320 0.814 0.000 0.216 179 A C 2.272 179.892 177.584 0.060 0.000 1.186 179 A CA 1.374 53.433 52.037 0.037 0.000 0.620 179 A CB -0.571 18.436 19.000 0.011 0.000 0.822 179 A HN 0.104 nan 8.150 nan 0.000 0.443 180 V N 0.158 120.153 119.914 0.136 0.000 2.287 180 V HA -0.309 4.300 4.120 0.814 0.000 0.248 180 V C 3.060 179.313 176.094 0.265 0.000 1.053 180 V CA 2.080 64.545 62.300 0.275 0.000 1.027 180 V CB -1.503 30.432 31.823 0.187 0.000 0.646 180 V HN 0.635 nan 8.190 nan 0.000 0.447 181 A N -0.381 122.526 122.820 0.144 0.000 1.873 181 A HA -0.321 4.488 4.320 0.814 0.000 0.218 181 A C 2.354 179.989 177.584 0.086 0.000 1.193 181 A CA 2.490 54.581 52.037 0.091 0.000 0.629 181 A CB -0.568 18.454 19.000 0.037 0.000 0.826 181 A HN 0.524 nan 8.150 nan 0.000 0.447 182 K N -1.178 119.254 120.400 0.054 0.000 2.057 182 K HA -0.080 4.728 4.320 0.814 0.000 0.206 182 K C 2.168 178.775 176.600 0.012 0.000 1.050 182 K CA 0.932 57.226 56.287 0.012 0.000 0.935 182 K CB -0.507 31.985 32.500 -0.013 0.000 0.715 182 K HN 0.483 nan 8.250 nan 0.000 0.439 183 G N 0.279 109.097 108.800 0.030 0.000 2.513 183 G HA2 -0.279 4.169 3.960 0.814 0.000 0.219 183 G HA3 -0.279 4.169 3.960 0.814 0.000 0.219 183 G C 1.206 176.120 174.900 0.024 0.000 1.160 183 G CA 1.216 46.309 45.100 -0.012 0.000 0.767 183 G HN 0.262 nan 8.290 nan 0.000 0.571 184 Y N 0.183 120.529 120.300 0.076 0.000 2.201 184 Y HA 0.159 5.199 4.550 0.817 0.000 0.292 184 Y C 3.094 178.976 175.900 -0.030 0.000 1.119 184 Y CA 0.869 59.003 58.100 0.056 0.000 1.127 184 Y CB -0.106 38.402 38.460 0.081 0.000 1.019 184 Y HN -0.080 nan 8.280 nan 0.000 0.514 185 R N 0.778 121.344 120.500 0.109 0.000 2.105 185 R HA -0.151 4.677 4.340 0.814 0.000 0.239 185 R C 1.675 177.859 176.300 -0.194 0.000 1.135 185 R CA 1.451 57.528 56.100 -0.038 0.000 0.967 185 R CB -0.601 29.679 30.300 -0.034 0.000 0.861 185 R HN 0.537 nan 8.270 nan 0.000 0.442 186 E N -0.174 119.938 120.200 -0.146 0.000 2.427 186 E HA -0.046 4.792 4.350 0.814 0.000 0.196 186 E C 0.609 177.083 176.600 -0.211 0.000 1.028 186 E CA 0.413 56.694 56.400 -0.198 0.000 0.864 186 E CB -0.030 29.609 29.700 -0.103 0.000 0.813 186 E HN 0.449 nan 8.360 nan 0.000 0.514 187 N N -0.373 118.240 118.700 -0.145 0.000 2.214 187 N HA 0.043 5.271 4.740 0.814 0.000 0.214 187 N C -0.880 174.663 175.510 0.054 0.000 1.132 187 N CA -0.088 52.942 53.050 -0.032 0.000 0.856 187 N CB 0.391 38.864 38.487 -0.024 0.000 1.020 187 N HN 0.096 nan 8.380 nan 0.000 0.509 188 H N -0.228 118.848 119.070 0.011 0.000 2.713 188 H HA -0.147 4.897 4.556 0.814 0.000 0.311 188 H C -0.722 174.603 175.328 -0.005 0.000 1.175 188 H CA 0.469 56.517 56.048 -0.000 0.000 1.143 188 H CB -1.705 28.051 29.762 -0.010 0.000 1.434 188 H HN 0.324 nan 8.280 nan 0.000 0.418 189 I N 1.142 121.769 120.570 0.094 0.000 2.331 189 I HA 0.252 4.910 4.170 0.814 0.000 0.292 189 I C -1.934 174.226 176.117 0.072 0.000 0.998 189 I CA -2.096 59.263 61.300 0.098 0.000 1.267 189 I CB 1.339 39.428 38.000 0.148 0.000 1.386 189 I HN -0.113 nan 8.210 nan 0.000 0.476 190 P HA 0.264 nan 4.420 nan 0.000 0.266 190 P C -0.669 176.518 177.300 -0.188 0.000 1.195 190 P CA 0.176 62.985 63.100 -0.485 0.000 0.768 190 P CB 0.822 31.781 31.700 -1.236 0.000 0.838 191 I N 1.221 121.724 120.570 -0.111 0.000 2.800 191 I HA 0.198 4.856 4.170 0.814 0.000 0.294 191 I C -0.884 175.297 176.117 0.107 0.000 1.538 191 I CA -0.206 61.164 61.300 0.116 0.000 1.010 191 I CB 2.367 40.281 38.000 -0.142 0.000 1.381 191 I HN 0.167 nan 8.210 nan 0.000 0.462 192 D N 4.463 124.942 120.400 0.132 0.000 2.449 192 D HA 0.396 5.524 4.640 0.814 0.000 0.255 192 D C -0.733 175.521 176.300 -0.077 0.000 1.121 192 D CA 0.249 54.289 54.000 0.066 0.000 0.830 192 D CB 0.704 41.623 40.800 0.198 0.000 1.280 192 D HN 0.302 nan 8.370 nan 0.000 0.522 193 M N 0.829 120.353 119.600 -0.127 0.000 2.531 193 M HA 0.499 5.467 4.480 0.814 0.000 0.286 193 M C -1.651 174.469 176.300 -0.300 0.000 1.232 193 M CA -0.552 54.592 55.300 -0.259 0.000 0.877 193 M CB 3.413 35.836 32.600 -0.295 0.000 1.726 193 M HN -0.270 nan 8.290 nan 0.000 0.463 194 I N 1.726 122.095 120.570 -0.335 0.000 2.548 194 I HA 0.350 5.009 4.170 0.814 0.000 0.287 194 I C -1.584 174.429 176.117 -0.174 0.000 1.103 194 I CA -0.629 60.566 61.300 -0.175 0.000 1.049 194 I CB 1.885 39.871 38.000 -0.023 0.000 1.232 194 I HN 0.562 nan 8.210 nan 0.000 0.429 195 Y N 5.912 126.221 120.300 0.015 0.000 2.308 195 Y HA 0.471 5.507 4.550 0.811 0.000 0.329 195 Y C 0.357 176.472 175.900 0.359 0.000 1.111 195 Y CA -0.556 57.597 58.100 0.089 0.000 1.179 195 Y CB 1.145 39.501 38.460 -0.174 0.000 1.201 195 Y HN 0.336 nan 8.280 nan 0.000 0.483 196 M N 3.124 123.046 119.600 0.537 0.000 2.129 196 M HA 0.289 5.258 4.480 0.814 0.000 0.348 196 M C -0.713 175.967 176.300 0.634 0.000 1.116 196 M CA -0.605 55.040 55.300 0.576 0.000 1.022 196 M CB 0.933 33.600 32.600 0.112 0.000 1.599 196 M HN 0.561 nan 8.290 nan 0.000 0.449 197 D N 2.466 123.260 120.400 0.655 0.000 2.451 197 D HA 0.268 5.396 4.640 0.814 0.000 0.259 197 D C 1.455 177.986 176.300 0.385 0.000 1.201 197 D CA -0.481 53.788 54.000 0.448 0.000 1.028 197 D CB 1.032 42.044 40.800 0.353 0.000 1.095 197 D HN 0.774 nan 8.370 nan 0.000 0.539 198 I N -1.380 119.218 120.570 0.045 0.000 2.300 198 I HA -0.266 4.392 4.170 0.814 0.000 0.252 198 I C 0.862 177.101 176.117 0.204 0.000 1.119 198 I CA 1.418 62.733 61.300 0.025 0.000 1.384 198 I CB -0.343 37.491 38.000 -0.277 0.000 1.062 198 I HN 0.110 nan 8.210 nan 0.000 0.426 199 D N 1.164 121.755 120.400 0.319 0.000 2.354 199 D HA -0.204 4.924 4.640 0.814 0.000 0.216 199 D C 1.923 178.391 176.300 0.280 0.000 0.970 199 D CA 1.580 55.773 54.000 0.321 0.000 0.905 199 D CB -0.318 40.701 40.800 0.365 0.000 0.903 199 D HN 0.839 nan 8.370 nan 0.000 0.508 200 Y N -0.578 119.874 120.300 0.254 0.000 2.561 200 Y HA 0.166 5.204 4.550 0.814 0.000 0.291 200 Y C 0.884 176.839 175.900 0.092 0.000 1.141 200 Y CA -0.270 57.981 58.100 0.252 0.000 1.303 200 Y CB -0.306 38.253 38.460 0.166 0.000 1.015 200 Y HN -0.214 nan 8.280 nan 0.000 0.547 201 M N 1.912 121.108 119.600 -0.673 0.000 2.235 201 M HA 0.129 5.097 4.480 0.814 0.000 0.351 201 M C -0.220 175.864 176.300 -0.361 0.000 1.178 201 M CA -0.602 54.323 55.300 -0.625 0.000 1.143 201 M CB 0.950 33.200 32.600 -0.583 0.000 1.530 201 M HN 0.056 nan 8.290 nan 0.000 0.461 202 Q N 2.749 122.375 119.800 -0.291 0.000 2.244 202 Q HA -0.045 4.783 4.340 0.814 0.000 0.276 202 Q C -0.536 175.249 176.000 -0.359 0.000 1.122 202 Q CA 0.968 56.610 55.803 -0.268 0.000 0.920 202 Q CB -0.193 28.421 28.738 -0.207 0.000 1.186 202 Q HN 0.576 nan 8.270 nan 0.000 0.393 203 D N 4.824 124.952 120.400 -0.453 0.000 2.737 203 D HA -0.276 4.852 4.640 0.814 0.000 0.233 203 D C -0.652 175.403 176.300 -0.408 0.000 1.155 203 D CA 1.135 54.822 54.000 -0.520 0.000 0.667 203 D CB -1.100 39.521 40.800 -0.298 0.000 1.060 203 D HN 0.742 nan 8.370 nan 0.000 0.427 204 F N -2.506 117.339 119.950 -0.176 0.000 3.057 204 F HA -0.276 4.738 4.527 0.812 0.000 0.287 204 F C 0.856 176.526 175.800 -0.217 0.000 0.834 204 F CA 0.590 58.483 58.000 -0.179 0.000 1.147 204 F CB -2.207 36.755 39.000 -0.064 0.000 1.245 204 F HN 0.074 nan 8.300 nan 0.000 0.509 205 K N 1.330 121.608 120.400 -0.204 0.000 2.273 205 K HA 0.206 5.015 4.320 0.814 0.000 0.287 205 K C 0.164 176.651 176.600 -0.188 0.000 1.089 205 K CA -0.810 55.306 56.287 -0.285 0.000 0.909 205 K CB 0.478 32.560 32.500 -0.697 0.000 1.123 205 K HN -0.030 nan 8.250 nan 0.000 0.473 206 D N 2.200 122.547 120.400 -0.087 0.000 2.730 206 D HA -0.160 4.968 4.640 0.814 0.000 0.225 206 D C 0.223 176.381 176.300 -0.236 0.000 1.107 206 D CA 1.033 54.839 54.000 -0.323 0.000 0.837 206 D CB -0.004 40.611 40.800 -0.308 0.000 1.171 206 D HN 0.438 nan 8.370 nan 0.000 0.498 207 F N -1.490 118.357 119.950 -0.171 0.000 3.043 207 F HA -0.258 4.752 4.527 0.805 0.000 0.290 207 F C 0.901 176.342 175.800 -0.599 0.000 0.844 207 F CA 0.805 58.625 58.000 -0.299 0.000 1.184 207 F CB -2.573 36.173 39.000 -0.425 0.000 1.246 207 F HN 0.320 nan 8.300 nan 0.000 0.536 208 T N -2.371 112.059 114.554 -0.206 0.000 2.901 208 T HA 0.888 5.726 4.350 0.814 0.000 0.293 208 T C -0.341 174.351 174.700 -0.012 0.000 1.084 208 T CA -0.343 61.643 62.100 -0.190 0.000 1.008 208 T CB 2.642 71.386 68.868 -0.207 0.000 1.170 208 T HN 0.919 nan 8.240 nan 0.000 0.509 209 V N -0.263 119.682 119.914 0.053 0.000 2.769 209 V HA 0.636 5.244 4.120 0.814 0.000 0.312 209 V C -0.057 176.037 176.094 0.000 0.000 1.061 209 V CA -1.211 61.047 62.300 -0.071 0.000 0.931 209 V CB 1.746 33.361 31.823 -0.347 0.000 1.010 209 V HN 1.017 nan 8.190 nan 0.000 0.433 210 N N 2.688 121.434 118.700 0.076 0.000 2.406 210 N HA 0.021 5.249 4.740 0.814 0.000 0.274 210 N C 1.044 176.634 175.510 0.133 0.000 1.249 210 N CA 0.698 53.799 53.050 0.085 0.000 0.951 210 N CB 0.718 39.268 38.487 0.105 0.000 1.241 210 N HN 0.914 nan 8.380 nan 0.000 0.485 211 E N 3.364 123.602 120.200 0.063 0.000 2.097 211 E HA -0.287 4.551 4.350 0.814 0.000 0.196 211 E C 1.500 178.127 176.600 0.045 0.000 1.000 211 E CA 1.274 57.716 56.400 0.071 0.000 0.804 211 E CB 0.056 29.780 29.700 0.039 0.000 0.740 211 E HN 0.625 nan 8.360 nan 0.000 0.454 212 K N 0.956 121.356 120.400 0.001 0.000 1.978 212 K HA -0.178 4.630 4.320 0.814 0.000 0.214 212 K C 1.928 178.478 176.600 -0.082 0.000 1.049 212 K CA 1.725 57.992 56.287 -0.034 0.000 0.939 212 K CB -0.013 32.458 32.500 -0.048 0.000 0.721 212 K HN 0.007 nan 8.250 nan 0.000 0.441 213 N N -0.358 118.259 118.700 -0.137 0.000 2.331 213 N HA -0.090 5.138 4.740 0.814 0.000 0.180 213 N C -0.182 174.946 175.510 -0.636 0.000 1.019 213 N CA 0.910 53.736 53.050 -0.373 0.000 0.881 213 N CB 0.152 38.384 38.487 -0.424 0.000 0.972 213 N HN 0.112 nan 8.380 nan 0.000 0.435 214 F N 0.598 120.546 119.950 -0.003 0.000 2.531 214 F HA 0.354 5.373 4.527 0.819 0.000 0.333 214 F C -1.592 174.245 175.800 0.063 0.000 1.292 214 F CA -2.016 56.000 58.000 0.027 0.000 1.184 214 F CB 1.642 40.740 39.000 0.163 0.000 1.426 214 F HN -0.143 nan 8.300 nan 0.000 0.559 215 P HA -0.155 nan 4.420 nan 0.000 0.216 215 P C 0.242 177.631 177.300 0.149 0.000 1.150 215 P CA 1.462 64.627 63.100 0.109 0.000 0.837 215 P CB 0.562 32.292 31.700 0.050 0.000 0.786 216 D N -1.745 118.760 120.400 0.176 0.000 2.443 216 D HA 0.116 5.245 4.640 0.814 0.000 0.281 216 D C 0.347 176.787 176.300 0.233 0.000 1.210 216 D CA -0.767 53.336 54.000 0.172 0.000 0.875 216 D CB 0.122 40.990 40.800 0.112 0.000 1.125 216 D HN -0.218 nan 8.370 nan 0.000 0.503 217 F N 2.841 122.854 119.950 0.105 0.000 2.075 217 F HA 0.007 5.019 4.527 0.808 0.000 0.297 217 F C -0.973 174.862 175.800 0.059 0.000 1.113 217 F CA 1.147 59.199 58.000 0.087 0.000 1.218 217 F CB -0.805 38.192 39.000 -0.006 0.000 0.984 217 F HN 0.268 nan 8.300 nan 0.000 0.472 218 P HA -0.216 nan 4.420 nan 0.000 0.215 218 P C 1.461 178.701 177.300 -0.100 0.000 1.157 218 P CA 2.262 65.328 63.100 -0.056 0.000 0.874 218 P CB -0.142 31.563 31.700 0.009 0.000 0.790 219 E N -1.643 118.546 120.200 -0.019 0.000 2.070 219 E HA -0.227 4.611 4.350 0.814 0.000 0.197 219 E C 1.918 178.495 176.600 -0.038 0.000 1.004 219 E CA 1.156 57.547 56.400 -0.015 0.000 0.805 219 E CB -0.680 29.043 29.700 0.039 0.000 0.744 219 E HN 0.227 nan 8.360 nan 0.000 0.451 220 F N 1.244 121.091 119.950 -0.170 0.000 2.146 220 F HA -0.176 4.839 4.527 0.813 0.000 0.298 220 F C 2.158 177.758 175.800 -0.334 0.000 1.096 220 F CA 0.869 58.748 58.000 -0.202 0.000 1.275 220 F CB -0.258 38.656 39.000 -0.144 0.000 1.008 220 F HN -0.220 nan 8.300 nan 0.000 0.480 221 V N 1.080 120.660 119.914 -0.556 0.000 2.392 221 V HA -0.354 4.255 4.120 0.814 0.000 0.249 221 V C 2.562 178.352 176.094 -0.506 0.000 1.059 221 V CA 2.387 64.284 62.300 -0.673 0.000 1.051 221 V CB -0.777 30.673 31.823 -0.621 0.000 0.658 221 V HN 0.376 nan 8.190 nan 0.000 0.455 222 K N 0.043 120.228 120.400 -0.357 0.000 2.097 222 K HA -0.240 4.569 4.320 0.814 0.000 0.205 222 K C 2.224 178.657 176.600 -0.279 0.000 1.050 222 K CA 1.808 57.936 56.287 -0.265 0.000 0.938 222 K CB -0.148 32.248 32.500 -0.173 0.000 0.718 222 K HN 0.612 nan 8.250 nan 0.000 0.442 223 E N 0.084 120.094 120.200 -0.316 0.000 2.085 223 E HA -0.222 4.616 4.350 0.814 0.000 0.194 223 E C 1.897 178.290 176.600 -0.344 0.000 0.994 223 E CA 1.359 57.586 56.400 -0.288 0.000 0.801 223 E CB 0.052 29.593 29.700 -0.266 0.000 0.743 223 E HN 0.257 nan 8.360 nan 0.000 0.453 224 M N 0.526 119.814 119.600 -0.521 0.000 2.200 224 M HA -0.080 4.888 4.480 0.814 0.000 0.265 224 M C 2.238 178.339 176.300 -0.331 0.000 1.066 224 M CA 1.287 56.319 55.300 -0.446 0.000 1.127 224 M CB -0.690 31.560 32.600 -0.583 0.000 1.379 224 M HN 0.044 nan 8.290 nan 0.000 0.420 225 K N 0.283 120.482 120.400 -0.334 0.000 2.288 225 K HA -0.137 4.671 4.320 0.814 0.000 0.201 225 K C 0.906 177.378 176.600 -0.212 0.000 1.048 225 K CA 0.920 57.038 56.287 -0.281 0.000 0.956 225 K CB 0.171 32.502 32.500 -0.283 0.000 0.746 225 K HN 0.202 nan 8.250 nan 0.000 0.461 226 D N 0.614 120.900 120.400 -0.190 0.000 2.347 226 D HA -0.083 5.045 4.640 0.814 0.000 0.215 226 D C 0.747 176.974 176.300 -0.121 0.000 0.976 226 D CA 0.892 54.809 54.000 -0.139 0.000 0.884 226 D CB 0.280 41.008 40.800 -0.121 0.000 0.915 226 D HN 0.332 nan 8.370 nan 0.000 0.526 227 Q N 0.344 120.061 119.800 -0.139 0.000 2.204 227 Q HA 0.061 4.889 4.340 0.814 0.000 0.209 227 Q C -0.494 175.438 176.000 -0.113 0.000 0.861 227 Q CA -0.143 55.594 55.803 -0.111 0.000 0.971 227 Q CB 0.752 29.426 28.738 -0.107 0.000 1.095 227 Q HN -0.045 nan 8.270 nan 0.000 0.486 228 E N 0.252 120.371 120.200 -0.135 0.000 2.320 228 E HA -0.209 4.629 4.350 0.814 0.000 0.234 228 E C -1.066 175.436 176.600 -0.163 0.000 1.183 228 E CA 0.781 57.097 56.400 -0.140 0.000 0.713 228 E CB -1.644 28.006 29.700 -0.083 0.000 1.226 228 E HN 0.417 nan 8.360 nan 0.000 0.382 229 L N 0.626 121.719 121.223 -0.216 0.000 2.349 229 L HA 0.467 5.296 4.340 0.814 0.000 0.278 229 L C 0.456 177.127 176.870 -0.331 0.000 0.996 229 L CA -0.570 54.125 54.840 -0.241 0.000 0.825 229 L CB 1.660 43.593 42.059 -0.209 0.000 1.243 229 L HN -0.125 nan 8.230 nan 0.000 0.412 230 R N 3.795 124.068 120.500 -0.378 0.000 2.343 230 R HA 0.585 5.413 4.340 0.814 0.000 0.320 230 R C -0.955 175.103 176.300 -0.403 0.000 0.956 230 R CA -0.635 55.189 56.100 -0.460 0.000 0.836 230 R CB 1.633 31.514 30.300 -0.699 0.000 1.151 230 R HN 0.486 nan 8.270 nan 0.000 0.450 231 L N 4.348 125.339 121.223 -0.387 0.000 2.380 231 L HA 0.305 5.133 4.340 0.814 0.000 0.273 231 L C 0.036 176.717 176.870 -0.315 0.000 1.138 231 L CA -0.138 54.499 54.840 -0.337 0.000 0.832 231 L CB 0.545 42.383 42.059 -0.368 0.000 1.124 231 L HN 0.469 nan 8.230 nan 0.000 0.454 232 I N 4.177 124.587 120.570 -0.268 0.000 2.537 232 I HA 0.316 4.974 4.170 0.814 0.000 0.276 232 I C -2.404 173.824 176.117 0.185 0.000 1.063 232 I CA -1.975 59.223 61.300 -0.170 0.000 1.144 232 I CB 1.046 38.805 38.000 -0.401 0.000 1.252 232 I HN 0.254 nan 8.210 nan 0.000 0.480 233 P HA 0.354 nan 4.420 nan 0.000 0.277 233 P C 0.051 177.466 177.300 0.192 0.000 1.240 233 P CA -0.326 62.744 63.100 -0.050 0.000 0.798 233 P CB 1.695 33.169 31.700 -0.376 0.000 0.979 234 I N 2.102 122.647 120.570 -0.041 0.000 2.797 234 I HA 0.364 5.022 4.170 0.814 0.000 0.310 234 I C -0.576 175.460 176.117 -0.134 0.000 0.990 234 I CA -0.667 60.277 61.300 -0.594 0.000 1.228 234 I CB 0.537 37.891 38.000 -1.076 0.000 1.406 234 I HN 0.095 nan 8.210 nan 0.000 0.534 235 I N 4.591 125.044 120.570 -0.195 0.000 2.571 235 I HA 0.331 4.989 4.170 0.814 0.000 0.289 235 I C -1.111 174.969 176.117 -0.061 0.000 1.115 235 I CA -0.575 60.626 61.300 -0.166 0.000 1.045 235 I CB 1.673 39.542 38.000 -0.218 0.000 1.238 235 I HN 0.472 nan 8.210 nan 0.000 0.424 236 D N 3.485 123.869 120.400 -0.026 0.000 2.326 236 D HA 0.502 5.631 4.640 0.814 0.000 0.251 236 D C 0.879 177.282 176.300 0.173 0.000 1.023 236 D CA -0.428 53.620 54.000 0.079 0.000 0.966 236 D CB 2.201 43.059 40.800 0.098 0.000 1.156 236 D HN 0.565 nan 8.370 nan 0.000 0.494 237 A N 1.084 124.012 122.820 0.182 0.000 1.930 237 A HA 0.094 4.902 4.320 0.814 0.000 0.217 237 A C 1.312 179.131 177.584 0.392 0.000 1.175 237 A CA 1.334 53.506 52.037 0.226 0.000 0.627 237 A CB -0.724 18.369 19.000 0.154 0.000 0.815 237 A HN 0.506 nan 8.150 nan 0.000 0.443 238 G N -0.199 108.831 108.800 0.383 0.000 2.358 238 G HA2 0.448 4.897 3.960 0.814 0.000 0.273 238 G HA3 0.448 4.897 3.960 0.814 0.000 0.273 238 G C -0.489 174.537 174.900 0.211 0.000 1.215 238 G CA -0.198 45.087 45.100 0.308 0.000 0.910 238 G HN 0.191 nan 8.290 nan 0.000 0.467 239 V N 3.802 123.855 119.914 0.232 0.000 2.383 239 V HA 0.192 4.801 4.120 0.814 0.000 0.275 239 V C 0.797 176.978 176.094 0.146 0.000 1.036 239 V CA -0.906 61.580 62.300 0.309 0.000 0.889 239 V CB 1.178 33.335 31.823 0.557 0.000 0.985 239 V HN 0.842 nan 8.190 nan 0.000 0.459 240 K N 4.187 124.711 120.400 0.206 0.000 2.484 240 K HA 0.122 4.930 4.320 0.814 0.000 0.280 240 K C -0.418 176.161 176.600 -0.036 0.000 1.013 240 K CA -0.271 56.032 56.287 0.027 0.000 1.029 240 K CB 0.603 33.086 32.500 -0.029 0.000 0.902 240 K HN 0.495 nan 8.250 nan 0.000 0.481 241 V N 5.093 124.810 119.914 -0.328 0.000 2.446 241 V HA 0.095 4.703 4.120 0.814 0.000 0.276 241 V C 0.081 175.827 176.094 -0.581 0.000 1.030 241 V CA 0.398 62.318 62.300 -0.633 0.000 1.033 241 V CB 0.286 31.765 31.823 -0.572 0.000 0.993 241 V HN 0.910 nan 8.190 nan 0.000 0.477 242 E N 3.951 123.631 120.200 -0.867 0.000 2.677 242 E HA 0.249 5.087 4.350 0.814 0.000 0.330 242 E C -0.986 175.452 176.600 -0.271 0.000 0.933 242 E CA -0.866 55.297 56.400 -0.395 0.000 0.797 242 E CB 1.081 30.680 29.700 -0.167 0.000 1.326 242 E HN 0.527 nan 8.360 nan 0.000 0.404 243 K N 1.540 121.862 120.400 -0.130 0.000 2.511 243 K HA 0.246 5.054 4.320 0.814 0.000 0.280 243 K C 1.030 177.699 176.600 0.115 0.000 1.008 243 K CA 2.171 58.499 56.287 0.068 0.000 1.050 243 K CB 0.440 32.971 32.500 0.051 0.000 0.889 243 K HN 0.767 nan 8.250 nan 0.000 0.484 244 G N 2.593 111.504 108.800 0.186 0.000 2.217 244 G HA2 -0.302 4.146 3.960 0.814 0.000 0.246 244 G HA3 -0.302 4.146 3.960 0.814 0.000 0.246 244 G C -0.573 174.458 174.900 0.218 0.000 0.990 244 G CA 0.334 45.528 45.100 0.156 0.000 0.627 244 G HN 0.608 nan 8.290 nan 0.000 0.522 245 Y N 3.156 123.529 120.300 0.121 0.000 2.452 245 Y HA 0.465 5.503 4.550 0.812 0.000 0.348 245 Y C 1.557 177.577 175.900 0.200 0.000 0.985 245 Y CA -0.572 57.600 58.100 0.120 0.000 1.214 245 Y CB 0.494 39.004 38.460 0.083 0.000 1.136 245 Y HN 0.549 nan 8.280 nan 0.000 0.523 246 E N 2.967 123.212 120.200 0.075 0.000 2.085 246 E HA -0.173 4.665 4.350 0.814 0.000 0.194 246 E C 1.205 177.740 176.600 -0.109 0.000 0.994 246 E CA 1.930 58.323 56.400 -0.012 0.000 0.801 246 E CB -0.418 29.294 29.700 0.020 0.000 0.743 246 E HN 0.471 nan 8.360 nan 0.000 0.453 247 V N 0.680 120.373 119.914 -0.368 0.000 2.287 247 V HA -0.310 4.298 4.120 0.814 0.000 0.248 247 V C 2.336 178.464 176.094 0.057 0.000 1.053 247 V CA 2.202 64.391 62.300 -0.185 0.000 1.027 247 V CB -0.974 30.666 31.823 -0.304 0.000 0.646 247 V HN 0.408 nan 8.190 nan 0.000 0.447 248 Y N 1.316 121.380 120.300 -0.392 0.000 2.114 248 Y HA -0.214 4.823 4.550 0.813 0.000 0.284 248 Y C 2.660 178.676 175.900 0.194 0.000 1.143 248 Y CA 2.069 60.241 58.100 0.119 0.000 1.135 248 Y CB -0.276 38.242 38.460 0.097 0.000 0.980 248 Y HN 0.225 nan 8.280 nan 0.000 0.499 249 E N 0.596 120.789 120.200 -0.011 0.000 2.118 249 E HA -0.221 4.617 4.350 0.814 0.000 0.195 249 E C 2.011 178.496 176.600 -0.193 0.000 0.992 249 E CA 1.765 58.090 56.400 -0.125 0.000 0.804 249 E CB -0.245 29.477 29.700 0.036 0.000 0.741 249 E HN 0.728 nan 8.360 nan 0.000 0.458 250 E N -0.004 120.125 120.200 -0.118 0.000 2.072 250 E HA -0.089 4.750 4.350 0.814 0.000 0.191 250 E C 2.205 178.449 176.600 -0.593 0.000 0.985 250 E CA 0.866 57.134 56.400 -0.220 0.000 0.801 250 E CB -0.258 29.482 29.700 0.066 0.000 0.750 250 E HN 0.288 nan 8.360 nan 0.000 0.452 251 G N 0.956 109.394 108.800 -0.602 0.000 2.442 251 G HA2 -0.244 4.205 3.960 0.814 0.000 0.219 251 G HA3 -0.244 4.205 3.960 0.814 0.000 0.219 251 G C 1.728 176.076 174.900 -0.920 0.000 1.141 251 G CA 0.780 45.135 45.100 -1.242 0.000 0.763 251 G HN 0.112 nan 8.290 nan 0.000 0.554 252 V N 0.769 120.406 119.914 -0.461 0.000 2.323 252 V HA -0.102 4.506 4.120 0.814 0.000 0.244 252 V C 2.645 178.526 176.094 -0.356 0.000 1.041 252 V CA 2.227 64.348 62.300 -0.299 0.000 1.025 252 V CB -0.379 31.241 31.823 -0.338 0.000 0.656 252 V HN 0.480 nan 8.190 nan 0.000 0.451 253 K N 0.587 120.758 120.400 -0.381 0.000 2.020 253 K HA -0.212 4.596 4.320 0.814 0.000 0.212 253 K C 1.565 177.903 176.600 -0.436 0.000 1.050 253 K CA 2.136 58.219 56.287 -0.339 0.000 0.929 253 K CB -0.210 32.115 32.500 -0.291 0.000 0.714 253 K HN 0.462 nan 8.250 nan 0.000 0.443 254 N N 1.059 119.332 118.700 -0.712 0.000 2.314 254 N HA -0.007 5.221 4.740 0.814 0.000 0.200 254 N C -0.661 174.310 175.510 -0.898 0.000 1.135 254 N CA 0.174 52.674 53.050 -0.918 0.000 0.835 254 N CB 0.323 37.903 38.487 -1.511 0.000 0.989 254 N HN 0.246 nan 8.380 nan 0.000 0.478 255 N N 0.612 118.933 118.700 -0.631 0.000 2.756 255 N HA -0.197 5.031 4.740 0.814 0.000 0.248 255 N C -0.415 174.935 175.510 -0.266 0.000 1.062 255 N CA 0.481 53.315 53.050 -0.360 0.000 0.696 255 N CB -1.506 36.856 38.487 -0.208 0.000 0.946 255 N HN 0.379 nan 8.380 nan 0.000 0.548 256 Y N -1.283 118.690 120.300 -0.544 0.000 2.482 256 Y HA 0.272 5.314 4.550 0.819 0.000 0.270 256 Y C 0.912 176.608 175.900 -0.340 0.000 1.152 256 Y CA -0.273 57.493 58.100 -0.556 0.000 1.292 256 Y CB 0.176 37.986 38.460 -1.083 0.000 1.070 256 Y HN 0.062 nan 8.280 nan 0.000 0.528 257 F N -1.055 118.931 119.950 0.061 0.000 2.377 257 F HA 0.322 5.337 4.527 0.813 0.000 0.328 257 F C 0.744 176.605 175.800 0.102 0.000 1.094 257 F CA -1.859 56.201 58.000 0.100 0.000 1.093 257 F CB 0.251 39.233 39.000 -0.030 0.000 1.214 257 F HN -0.296 nan 8.300 nan 0.000 0.518 258 C N 2.773 122.314 119.300 0.401 0.000 2.634 258 C HA 0.220 5.168 4.460 0.814 0.000 0.418 258 C C 0.470 175.613 174.990 0.255 0.000 1.373 258 C CA -0.750 58.449 59.018 0.301 0.000 1.756 258 C CB -1.140 26.798 27.740 0.328 0.000 2.589 258 C HN 0.598 nan 8.230 nan 0.000 0.602 259 K N 2.574 123.125 120.400 0.252 0.000 2.221 259 K HA 0.508 5.316 4.320 0.814 0.000 0.243 259 K C 0.075 176.855 176.600 0.301 0.000 0.968 259 K CA -0.629 55.784 56.287 0.210 0.000 0.846 259 K CB 1.457 34.026 32.500 0.115 0.000 1.141 259 K HN 0.608 nan 8.250 nan 0.000 0.434 260 R N 0.911 121.567 120.500 0.259 0.000 2.738 260 R HA -0.017 4.811 4.340 0.814 0.000 0.275 260 R C 1.300 177.688 176.300 0.147 0.000 1.121 260 R CA -0.109 56.160 56.100 0.281 0.000 1.207 260 R CB 0.264 30.710 30.300 0.244 0.000 1.141 260 R HN 0.770 nan 8.270 nan 0.000 0.571 261 E N 0.818 121.105 120.200 0.145 0.000 2.171 261 E HA -0.238 4.600 4.350 0.814 0.000 0.197 261 E C 0.724 177.255 176.600 -0.116 0.000 0.997 261 E CA 1.994 58.323 56.400 -0.119 0.000 0.810 261 E CB 0.055 29.780 29.700 0.042 0.000 0.738 261 E HN 0.591 nan 8.360 nan 0.000 0.467 262 D N -1.950 118.441 120.400 -0.015 0.000 2.340 262 D HA 0.063 5.191 4.640 0.814 0.000 0.220 262 D C 1.273 177.562 176.300 -0.019 0.000 1.039 262 D CA 0.799 54.790 54.000 -0.015 0.000 0.866 262 D CB 0.451 41.260 40.800 0.015 0.000 0.913 262 D HN 0.298 nan 8.370 nan 0.000 0.523 263 G N -0.014 108.776 108.800 -0.016 0.000 2.213 263 G HA2 -0.259 4.189 3.960 0.814 0.000 0.226 263 G HA3 -0.259 4.189 3.960 0.814 0.000 0.226 263 G C 0.429 175.332 174.900 0.006 0.000 0.992 263 G CA 0.222 45.314 45.100 -0.013 0.000 0.632 263 G HN 0.814 nan 8.290 nan 0.000 0.511 264 S N 0.596 116.311 115.700 0.026 0.000 2.593 264 S HA 0.509 5.467 4.470 0.814 0.000 0.269 264 S C -0.284 174.331 174.600 0.025 0.000 1.334 264 S CA -0.242 57.972 58.200 0.023 0.000 1.015 264 S CB 1.496 64.721 63.200 0.042 0.000 0.912 264 S HN 0.180 nan 8.310 nan 0.000 0.541 265 D N 1.638 122.001 120.400 -0.061 0.000 2.343 265 D HA 0.192 5.321 4.640 0.814 0.000 0.255 265 D C -0.267 175.979 176.300 -0.089 0.000 1.187 265 D CA -0.063 53.809 54.000 -0.212 0.000 0.875 265 D CB 0.187 40.551 40.800 -0.726 0.000 1.136 265 D HN 0.536 nan 8.370 nan 0.000 0.469 266 F N 2.992 122.875 119.950 -0.113 0.000 2.572 266 F HA 0.042 5.056 4.527 0.813 0.000 0.370 266 F C -0.235 175.526 175.800 -0.065 0.000 1.103 266 F CA -0.253 57.703 58.000 -0.072 0.000 1.286 266 F CB 0.552 39.489 39.000 -0.105 0.000 1.105 266 F HN 0.021 nan 8.300 nan 0.000 0.583 267 V N 6.513 125.923 119.914 -0.840 0.000 2.383 267 V HA 0.654 5.263 4.120 0.814 0.000 0.275 267 V C 0.066 175.382 176.094 -1.297 0.000 1.036 267 V CA -0.429 61.378 62.300 -0.821 0.000 0.889 267 V CB 0.621 32.150 31.823 -0.490 0.000 0.985 267 V HN 0.994 nan 8.190 nan 0.000 0.459 268 A N 4.357 126.521 122.820 -1.092 0.000 2.330 268 A HA 0.876 5.684 4.320 0.814 0.000 0.313 268 A C 0.019 177.128 177.584 -0.792 0.000 1.124 268 A CA -0.466 51.003 52.037 -0.946 0.000 0.774 268 A CB 1.347 19.707 19.000 -1.067 0.000 1.198 268 A HN 1.188 nan 8.150 nan 0.000 0.465 269 A N 2.488 124.832 122.820 -0.793 0.000 2.309 269 A HA 0.650 5.458 4.320 0.814 0.000 0.290 269 A C 0.179 177.218 177.584 -0.907 0.000 1.206 269 A CA -0.147 51.369 52.037 -0.869 0.000 0.850 269 A CB -0.101 18.002 19.000 -1.495 0.000 1.118 269 A HN 1.358 nan 8.150 nan 0.000 0.523 270 V N 0.855 120.244 119.914 -0.875 0.000 3.703 270 V HA 0.320 4.928 4.120 0.814 0.000 0.306 270 V C 0.975 176.584 176.094 -0.809 0.000 1.407 270 V CA -0.818 60.656 62.300 -1.377 0.000 0.974 270 V CB -0.391 30.901 31.823 -0.885 0.000 1.188 270 V HN 1.071 nan 8.190 nan 0.000 0.477 271 W N 0.445 121.437 121.300 -0.513 0.000 2.308 271 W HA -0.077 5.070 4.660 0.812 0.000 0.301 271 W C -0.870 175.454 176.519 -0.325 0.000 1.220 271 W CA 1.722 58.838 57.345 -0.382 0.000 1.240 271 W CB -1.239 27.887 29.460 -0.558 0.000 1.142 271 W HN 0.474 nan 8.180 nan 0.000 0.521 272 P HA 0.283 nan 4.420 nan 0.000 0.254 272 P C 0.601 177.920 177.300 0.032 0.000 1.494 272 P CA 0.927 64.131 63.100 0.173 0.000 0.961 272 P CB 0.258 32.026 31.700 0.112 0.000 1.493 273 G N 0.791 109.574 108.800 -0.027 0.000 2.527 273 G HA2 -0.231 4.218 3.960 0.814 0.000 0.268 273 G HA3 -0.231 4.218 3.960 0.814 0.000 0.268 273 G C -0.800 173.951 174.900 -0.248 0.000 1.175 273 G CA -0.385 44.662 45.100 -0.089 0.000 0.962 273 G HN 0.216 nan 8.290 nan 0.000 0.560 274 D N 2.100 122.350 120.400 -0.249 0.000 2.493 274 D HA 0.493 5.621 4.640 0.814 0.000 0.240 274 D C 1.041 177.082 176.300 -0.433 0.000 1.142 274 D CA 1.490 55.269 54.000 -0.368 0.000 0.872 274 D CB 0.933 41.544 40.800 -0.315 0.000 1.173 274 D HN 0.928 nan 8.370 nan 0.000 0.467 275 T N -0.391 113.820 114.554 -0.572 0.000 2.864 275 T HA 0.461 5.299 4.350 0.814 0.000 0.299 275 T C -0.677 173.536 174.700 -0.813 0.000 1.166 275 T CA -0.954 60.790 62.100 -0.592 0.000 1.007 275 T CB 1.664 70.280 68.868 -0.421 0.000 1.219 275 T HN 0.255 nan 8.240 nan 0.000 0.506 276 H N 0.191 118.898 119.070 -0.604 0.000 2.573 276 H HA 0.586 5.629 4.556 0.813 0.000 0.351 276 H C -0.965 174.077 175.328 -0.476 0.000 1.163 276 H CA -1.161 54.415 56.048 -0.788 0.000 1.205 276 H CB 0.986 29.881 29.762 -1.444 0.000 1.605 276 H HN 0.479 nan 8.280 nan 0.000 0.525 277 F N 2.478 122.455 119.950 0.045 0.000 2.405 277 F HA 0.283 5.298 4.527 0.814 0.000 0.355 277 F C -1.845 174.276 175.800 0.535 0.000 1.121 277 F CA -3.099 55.049 58.000 0.247 0.000 1.112 277 F CB 0.661 39.748 39.000 0.146 0.000 1.126 277 F HN 0.220 nan 8.300 nan 0.000 0.481 278 P HA -0.071 nan 4.420 nan 0.000 0.265 278 P C -0.250 177.285 177.300 0.391 0.000 1.193 278 P CA 0.010 63.484 63.100 0.624 0.000 0.765 278 P CB 0.503 32.398 31.700 0.325 0.000 0.823 279 D N 4.174 124.775 120.400 0.336 0.000 2.416 279 D HA 0.011 5.139 4.640 0.814 0.000 0.240 279 D C 1.007 177.384 176.300 0.129 0.000 1.250 279 D CA 0.055 54.242 54.000 0.311 0.000 0.967 279 D CB 0.192 41.162 40.800 0.284 0.000 1.059 279 D HN 0.124 nan 8.370 nan 0.000 0.512 280 M N 2.833 122.387 119.600 -0.077 0.000 2.446 280 M HA -0.093 4.875 4.480 0.814 0.000 0.263 280 M C 1.551 177.706 176.300 -0.242 0.000 1.066 280 M CA 0.725 55.826 55.300 -0.332 0.000 1.087 280 M CB -0.315 31.814 32.600 -0.786 0.000 1.406 280 M HN 0.453 nan 8.290 nan 0.000 0.459 281 L N -0.458 120.687 121.223 -0.130 0.000 2.592 281 L HA 0.100 4.928 4.340 0.814 0.000 0.227 281 L C 0.930 177.805 176.870 0.008 0.000 1.127 281 L CA -0.090 54.679 54.840 -0.117 0.000 0.884 281 L CB -0.193 41.740 42.059 -0.210 0.000 1.065 281 L HN 0.290 nan 8.230 nan 0.000 0.457 282 N N 0.666 119.389 118.700 0.038 0.000 2.437 282 N HA 0.153 5.381 4.740 0.814 0.000 0.259 282 N C -2.037 173.457 175.510 -0.025 0.000 0.983 282 N CA -1.555 51.518 53.050 0.038 0.000 0.937 282 N CB 2.170 40.706 38.487 0.081 0.000 1.122 282 N HN -0.207 nan 8.380 nan 0.000 0.499 283 P HA -0.131 nan 4.420 nan 0.000 0.215 283 P C 0.570 177.824 177.300 -0.077 0.000 1.157 283 P CA 1.494 64.561 63.100 -0.056 0.000 0.874 283 P CB 0.440 32.118 31.700 -0.036 0.000 0.790 284 E N -0.446 119.709 120.200 -0.075 0.000 2.077 284 E HA -0.144 4.695 4.350 0.814 0.000 0.193 284 E C 2.145 178.528 176.600 -0.361 0.000 0.989 284 E CA 1.572 57.888 56.400 -0.140 0.000 0.800 284 E CB -1.251 28.426 29.700 -0.039 0.000 0.746 284 E HN 0.150 nan 8.360 nan 0.000 0.452 285 A N 1.001 123.604 122.820 -0.361 0.000 1.877 285 A HA -0.221 4.587 4.320 0.814 0.000 0.216 285 A C 2.099 179.655 177.584 -0.047 0.000 1.186 285 A CA 1.602 53.411 52.037 -0.380 0.000 0.620 285 A CB -0.407 18.538 19.000 -0.092 0.000 0.822 285 A HN 0.068 nan 8.150 nan 0.000 0.443 286 R N -0.503 119.958 120.500 -0.066 0.000 2.094 286 R HA -0.200 4.628 4.340 0.814 0.000 0.239 286 R C 2.435 178.713 176.300 -0.036 0.000 1.137 286 R CA 1.996 58.064 56.100 -0.054 0.000 0.943 286 R CB -0.339 29.887 30.300 -0.122 0.000 0.850 286 R HN 0.668 nan 8.270 nan 0.000 0.433 287 K N -0.109 120.251 120.400 -0.067 0.000 2.026 287 K HA -0.221 4.588 4.320 0.814 0.000 0.208 287 K C 1.961 178.536 176.600 -0.043 0.000 1.048 287 K CA 1.741 57.990 56.287 -0.064 0.000 0.929 287 K CB -0.393 32.075 32.500 -0.053 0.000 0.713 287 K HN 0.217 nan 8.250 nan 0.000 0.439 288 W N 0.757 121.899 121.300 -0.263 0.000 2.333 288 W HA -0.260 4.893 4.660 0.821 0.000 0.316 288 W C 1.729 178.135 176.519 -0.187 0.000 1.215 288 W CA 1.900 59.086 57.345 -0.265 0.000 1.278 288 W CB -0.720 28.430 29.460 -0.517 0.000 1.154 288 W HN 0.153 nan 8.180 nan 0.000 0.486 289 F N 1.263 120.962 119.950 -0.419 0.000 2.102 289 F HA -0.008 5.004 4.527 0.807 0.000 0.298 289 F C 2.379 177.920 175.800 -0.433 0.000 1.105 289 F CA 2.745 60.365 58.000 -0.634 0.000 1.239 289 F CB -0.950 37.915 39.000 -0.225 0.000 0.991 289 F HN -0.060 nan 8.300 nan 0.000 0.474 290 G N -0.330 108.417 108.800 -0.089 0.000 2.418 290 G HA2 -0.282 4.167 3.960 0.814 0.000 0.217 290 G HA3 -0.282 4.167 3.960 0.814 0.000 0.217 290 G C 1.289 176.049 174.900 -0.234 0.000 1.158 290 G CA 1.040 46.066 45.100 -0.124 0.000 0.771 290 G HN 0.314 nan 8.290 nan 0.000 0.545 291 D N 0.460 120.689 120.400 -0.285 0.000 2.265 291 D HA -0.055 5.074 4.640 0.814 0.000 0.208 291 D C 2.316 178.383 176.300 -0.387 0.000 0.977 291 D CA 0.581 54.426 54.000 -0.258 0.000 0.871 291 D CB 0.035 40.721 40.800 -0.190 0.000 0.925 291 D HN 0.195 nan 8.370 nan 0.000 0.485 292 K N -0.178 119.765 120.400 -0.762 0.000 2.365 292 K HA -0.085 4.724 4.320 0.814 0.000 0.199 292 K C 1.538 177.596 176.600 -0.904 0.000 1.045 292 K CA 0.244 55.820 56.287 -1.184 0.000 0.962 292 K CB -0.221 30.856 32.500 -2.371 0.000 0.759 292 K HN 0.366 nan 8.250 nan 0.000 0.469 293 Y N 1.277 121.227 120.300 -0.584 0.000 2.497 293 Y HA -0.074 4.993 4.550 0.861 0.000 0.292 293 Y C 2.147 178.043 175.900 -0.006 0.000 1.137 293 Y CA 0.781 58.752 58.100 -0.216 0.000 1.285 293 Y CB -0.133 38.119 38.460 -0.348 0.000 0.991 293 Y HN 0.034 nan 8.280 nan 0.000 0.556 294 R N -0.851 119.697 120.500 0.080 0.000 2.117 294 R HA -0.236 4.592 4.340 0.814 0.000 0.243 294 R C 2.051 178.449 176.300 0.163 0.000 1.143 294 R CA 1.823 57.992 56.100 0.115 0.000 0.968 294 R CB -0.928 29.403 30.300 0.052 0.000 0.863 294 R HN 0.381 nan 8.270 nan 0.000 0.444 295 F N 1.674 121.631 119.950 0.012 0.000 2.091 295 F HA -0.216 4.797 4.527 0.810 0.000 0.299 295 F C 1.776 177.663 175.800 0.146 0.000 1.103 295 F CA 1.622 59.653 58.000 0.051 0.000 1.228 295 F CB -0.173 38.832 39.000 0.008 0.000 0.984 295 F HN -0.107 nan 8.300 nan 0.000 0.477 296 L N -0.620 120.671 121.223 0.113 0.000 2.249 296 L HA -0.047 4.782 4.340 0.814 0.000 0.207 296 L C 2.395 179.391 176.870 0.210 0.000 1.090 296 L CA 0.538 55.448 54.840 0.117 0.000 0.802 296 L CB -0.464 41.895 42.059 0.500 0.000 0.947 296 L HN 0.142 nan 8.230 nan 0.000 0.453 297 I N 0.097 120.858 120.570 0.319 0.000 2.163 297 I HA -0.271 4.388 4.170 0.814 0.000 0.240 297 I C 1.893 178.102 176.117 0.154 0.000 1.081 297 I CA 1.224 62.696 61.300 0.286 0.000 1.353 297 I CB -0.353 37.833 38.000 0.310 0.000 1.054 297 I HN 0.216 nan 8.210 nan 0.000 0.407 298 D N 0.623 121.088 120.400 0.108 0.000 2.311 298 D HA -0.191 4.937 4.640 0.814 0.000 0.212 298 D C 1.759 178.072 176.300 0.022 0.000 0.972 298 D CA 1.082 55.120 54.000 0.062 0.000 0.887 298 D CB -0.179 40.654 40.800 0.054 0.000 0.915 298 D HN 0.522 nan 8.370 nan 0.000 0.497 299 Q N -1.078 118.723 119.800 0.002 0.000 2.280 299 Q HA 0.298 5.127 4.340 0.814 0.000 0.201 299 Q C 0.998 176.980 176.000 -0.031 0.000 0.890 299 Q CA 0.311 56.111 55.803 -0.006 0.000 0.947 299 Q CB 1.090 29.843 28.738 0.026 0.000 1.081 299 Q HN 0.253 nan 8.270 nan 0.000 0.502 300 G N 0.829 109.617 108.800 -0.019 0.000 2.179 300 G HA2 -0.187 4.262 3.960 0.814 0.000 0.220 300 G HA3 -0.187 4.262 3.960 0.814 0.000 0.220 300 G C 0.109 174.952 174.900 -0.096 0.000 0.990 300 G CA -0.574 44.484 45.100 -0.070 0.000 0.646 300 G HN 0.231 nan 8.290 nan 0.000 0.517 301 I N 1.432 121.976 120.570 -0.043 0.000 2.556 301 I HA 0.216 4.874 4.170 0.814 0.000 0.284 301 I C 1.064 177.138 176.117 -0.072 0.000 1.114 301 I CA 0.344 61.572 61.300 -0.119 0.000 1.418 301 I CB 0.846 38.774 38.000 -0.121 0.000 1.394 301 I HN 0.280 nan 8.210 nan 0.000 0.552 302 E N 3.942 124.047 120.200 -0.158 0.000 2.558 302 E HA 0.418 5.256 4.350 0.814 0.000 0.205 302 E C 0.475 177.126 176.600 0.085 0.000 1.006 302 E CA -0.283 56.119 56.400 0.003 0.000 0.961 302 E CB 1.001 30.630 29.700 -0.118 0.000 1.044 302 E HN 0.854 nan 8.360 nan 0.000 0.465 303 G N 0.555 109.190 108.800 -0.276 0.000 2.411 303 G HA2 0.459 4.908 3.960 0.814 0.000 0.295 303 G HA3 0.459 4.908 3.960 0.814 0.000 0.295 303 G C -1.635 172.913 174.900 -0.587 0.000 1.542 303 G CA -0.835 44.142 45.100 -0.204 0.000 0.814 303 G HN 0.018 nan 8.290 nan 0.000 0.557 304 F N -0.231 119.881 119.950 0.270 0.000 2.643 304 F HA 0.847 5.838 4.527 0.773 0.000 0.314 304 F C -0.805 175.140 175.800 0.243 0.000 1.096 304 F CA -0.926 57.275 58.000 0.335 0.000 0.953 304 F CB 2.116 41.391 39.000 0.459 0.000 1.345 304 F HN 0.701 nan 8.300 nan 0.000 0.468 305 W N 0.575 121.908 121.300 0.056 0.000 2.915 305 W HA 0.588 5.729 4.660 0.802 0.000 0.337 305 W C -1.987 174.547 176.519 0.024 0.000 1.102 305 W CA -1.585 55.582 57.345 -0.297 0.000 1.224 305 W CB 0.568 29.542 29.460 -0.810 0.000 1.416 305 W HN 0.497 nan 8.180 nan 0.000 0.503 306 N N 1.611 120.417 118.700 0.176 0.000 2.405 306 N HA 0.381 5.609 4.740 0.814 0.000 0.299 306 N C -1.433 174.216 175.510 0.231 0.000 1.075 306 N CA -0.383 52.767 53.050 0.167 0.000 0.884 306 N CB 1.825 40.451 38.487 0.231 0.000 1.194 306 N HN 0.382 nan 8.380 nan 0.000 0.491 307 D N 0.736 121.223 120.400 0.146 0.000 2.579 307 D HA 0.343 5.472 4.640 0.814 0.000 0.257 307 D C -0.166 176.240 176.300 0.176 0.000 1.176 307 D CA -0.320 53.815 54.000 0.225 0.000 0.914 307 D CB 0.942 41.837 40.800 0.159 0.000 1.431 307 D HN 0.394 nan 8.370 nan 0.000 0.454 308 M N 0.665 120.378 119.600 0.188 0.000 2.751 308 M HA -0.220 4.748 4.480 0.814 0.000 0.199 308 M C -0.079 176.265 176.300 0.072 0.000 0.550 308 M CA 0.582 55.965 55.300 0.137 0.000 0.640 308 M CB -3.006 29.667 32.600 0.121 0.000 2.351 308 M HN 0.564 nan 8.290 nan 0.000 0.613 309 N N -0.290 118.473 118.700 0.106 0.000 2.320 309 N HA 0.249 5.477 4.740 0.814 0.000 0.237 309 N C 0.728 176.294 175.510 0.093 0.000 1.129 309 N CA 0.065 53.190 53.050 0.125 0.000 0.854 309 N CB 0.177 38.788 38.487 0.207 0.000 1.083 309 N HN 0.299 nan 8.380 nan 0.000 0.504 310 E N 0.825 121.029 120.200 0.007 0.000 2.118 310 E HA 0.002 4.840 4.350 0.814 0.000 0.195 310 E C -1.660 174.753 176.600 -0.312 0.000 0.992 310 E CA 0.946 57.319 56.400 -0.046 0.000 0.804 310 E CB -1.079 28.679 29.700 0.097 0.000 0.741 310 E HN 0.559 nan 8.360 nan 0.000 0.458 311 P HA 0.229 nan 4.420 nan 0.000 0.286 311 P C -0.991 176.222 177.300 -0.144 0.000 1.261 311 P CA -0.290 62.458 63.100 -0.588 0.000 0.821 311 P CB 1.646 32.334 31.700 -1.687 0.000 1.013 312 A N 3.388 126.195 122.820 -0.021 0.000 2.351 312 A HA 0.557 5.366 4.320 0.814 0.000 0.257 312 A C 0.056 177.710 177.584 0.117 0.000 1.087 312 A CA -0.333 51.777 52.037 0.122 0.000 0.798 312 A CB -0.315 18.756 19.000 0.118 0.000 1.033 312 A HN 0.534 nan 8.150 nan 0.000 0.488 313 I N 1.887 122.542 120.570 0.143 0.000 2.529 313 I HA 0.194 4.853 4.170 0.814 0.000 0.284 313 I C -0.218 175.975 176.117 0.127 0.000 1.088 313 I CA -0.403 60.925 61.300 0.047 0.000 1.062 313 I CB 1.523 39.557 38.000 0.057 0.000 1.218 313 I HN 0.653 nan 8.210 nan 0.000 0.442 314 F N 5.281 125.126 119.950 -0.176 0.000 2.134 314 F HA -0.079 4.937 4.527 0.814 0.000 0.299 314 F C 0.709 176.541 175.800 0.052 0.000 1.097 314 F CA 0.674 58.605 58.000 -0.116 0.000 1.264 314 F CB -0.653 38.219 39.000 -0.213 0.000 1.001 314 F HN 0.487 nan 8.300 nan 0.000 0.479 315 Y N -3.914 116.435 120.300 0.082 0.000 2.687 315 Y HA 0.476 5.515 4.550 0.815 0.000 0.338 315 Y C -0.563 175.288 175.900 -0.083 0.000 1.189 315 Y CA -2.090 56.010 58.100 0.001 0.000 1.097 315 Y CB 0.267 38.728 38.460 0.002 0.000 1.342 315 Y HN -0.141 nan 8.280 nan 0.000 0.461 316 S N -0.016 115.739 115.700 0.092 0.000 2.745 316 S HA 0.498 5.456 4.470 0.814 0.000 0.292 316 S C 0.331 174.981 174.600 0.083 0.000 1.133 316 S CA -0.115 58.047 58.200 -0.064 0.000 0.998 316 S CB 1.502 64.739 63.200 0.061 0.000 1.087 316 S HN 0.760 nan 8.310 nan 0.000 0.551 317 S N 0.912 116.589 115.700 -0.038 0.000 2.368 317 S HA -0.102 4.857 4.470 0.814 0.000 0.224 317 S C 1.645 176.275 174.600 0.050 0.000 1.029 317 S CA 1.583 59.798 58.200 0.025 0.000 0.988 317 S CB -0.623 62.555 63.200 -0.035 0.000 0.838 317 S HN 0.813 nan 8.310 nan 0.000 0.462 318 E N 1.279 121.516 120.200 0.062 0.000 2.077 318 E HA -0.037 4.801 4.350 0.814 0.000 0.193 318 E C 2.286 178.925 176.600 0.065 0.000 0.989 318 E CA 1.146 57.590 56.400 0.074 0.000 0.800 318 E CB -0.716 29.050 29.700 0.110 0.000 0.746 318 E HN 0.530 nan 8.360 nan 0.000 0.452 319 G N 0.537 109.386 108.800 0.082 0.000 2.403 319 G HA2 -0.195 4.253 3.960 0.814 0.000 0.216 319 G HA3 -0.195 4.253 3.960 0.814 0.000 0.216 319 G C 1.527 176.446 174.900 0.031 0.000 1.154 319 G CA 0.485 45.624 45.100 0.064 0.000 0.784 319 G HN 0.183 nan 8.290 nan 0.000 0.538 320 L N 1.321 122.567 121.223 0.038 0.000 2.046 320 L HA 0.154 4.982 4.340 0.814 0.000 0.208 320 L C 3.053 179.895 176.870 -0.047 0.000 1.077 320 L CA 2.118 56.906 54.840 -0.087 0.000 0.747 320 L CB -0.517 41.452 42.059 -0.150 0.000 0.896 320 L HN 0.217 nan 8.230 nan 0.000 0.432 321 A N -0.821 121.998 122.820 -0.001 0.000 1.933 321 A HA -0.226 4.582 4.320 0.814 0.000 0.218 321 A C 2.154 179.749 177.584 0.019 0.000 1.175 321 A CA 1.857 53.898 52.037 0.008 0.000 0.628 321 A CB -0.606 18.406 19.000 0.021 0.000 0.814 321 A HN 0.619 nan 8.150 nan 0.000 0.444 322 E N -0.292 119.923 120.200 0.025 0.000 2.150 322 E HA -0.035 4.803 4.350 0.814 0.000 0.193 322 E C 2.264 178.895 176.600 0.052 0.000 0.985 322 E CA 0.786 57.209 56.400 0.039 0.000 0.814 322 E CB -0.252 29.464 29.700 0.026 0.000 0.752 322 E HN 0.627 nan 8.360 nan 0.000 0.466 323 A N 1.676 124.505 122.820 0.016 0.000 1.898 323 A HA -0.201 4.608 4.320 0.814 0.000 0.216 323 A C 1.938 179.563 177.584 0.069 0.000 1.181 323 A CA 1.365 53.414 52.037 0.020 0.000 0.620 323 A CB -0.211 18.762 19.000 -0.045 0.000 0.819 323 A HN 0.027 nan 8.150 nan 0.000 0.442 324 K N -0.486 119.930 120.400 0.027 0.000 2.057 324 K HA -0.154 4.654 4.320 0.814 0.000 0.206 324 K C 2.112 178.746 176.600 0.057 0.000 1.050 324 K CA 1.404 57.709 56.287 0.029 0.000 0.935 324 K CB -0.128 32.369 32.500 -0.004 0.000 0.715 324 K HN 0.698 nan 8.250 nan 0.000 0.439 325 E N 0.338 120.579 120.200 0.068 0.000 2.110 325 E HA -0.216 4.623 4.350 0.814 0.000 0.193 325 E C 1.782 178.443 176.600 0.102 0.000 0.988 325 E CA 0.997 57.439 56.400 0.070 0.000 0.804 325 E CB -0.056 29.687 29.700 0.071 0.000 0.745 325 E HN 0.255 nan 8.360 nan 0.000 0.458 326 F N 0.940 120.891 119.950 0.001 0.000 2.128 326 F HA -0.003 5.013 4.527 0.814 0.000 0.295 326 F C 2.184 178.008 175.800 0.039 0.000 1.100 326 F CA 1.395 59.400 58.000 0.008 0.000 1.260 326 F CB -0.460 38.532 39.000 -0.015 0.000 1.009 326 F HN 0.086 nan 8.300 nan 0.000 0.476 327 A N 0.310 123.239 122.820 0.183 0.000 1.948 327 A HA -0.161 4.648 4.320 0.814 0.000 0.220 327 A C 2.454 180.071 177.584 0.055 0.000 1.177 327 A CA 1.878 53.996 52.037 0.134 0.000 0.636 327 A CB -1.843 17.227 19.000 0.116 0.000 0.815 327 A HN 0.520 nan 8.150 nan 0.000 0.449 328 G N -0.713 108.091 108.800 0.006 0.000 2.402 328 G HA2 -0.165 4.283 3.960 0.814 0.000 0.216 328 G HA3 -0.165 4.283 3.960 0.814 0.000 0.216 328 G C 1.433 176.283 174.900 -0.084 0.000 1.162 328 G CA 1.015 46.096 45.100 -0.031 0.000 0.777 328 G HN 0.656 nan 8.290 nan 0.000 0.539 329 E N -0.417 119.701 120.200 -0.138 0.000 2.046 329 E HA -0.032 4.806 4.350 0.814 0.000 0.190 329 E C 2.038 178.512 176.600 -0.210 0.000 0.982 329 E CA 0.627 56.912 56.400 -0.193 0.000 0.800 329 E CB -0.267 29.277 29.700 -0.260 0.000 0.756 329 E HN 0.364 nan 8.360 nan 0.000 0.449 330 F N 1.924 121.615 119.950 -0.432 0.000 2.091 330 F HA -0.272 4.743 4.527 0.814 0.000 0.299 330 F C 2.179 177.856 175.800 -0.205 0.000 1.103 330 F CA 1.563 59.355 58.000 -0.347 0.000 1.228 330 F CB -0.640 38.160 39.000 -0.334 0.000 0.984 330 F HN -0.018 nan 8.300 nan 0.000 0.477 331 A N 0.676 123.350 122.820 -0.242 0.000 1.917 331 A HA -0.293 4.515 4.320 0.814 0.000 0.219 331 A C 2.078 179.485 177.584 -0.295 0.000 1.182 331 A CA 2.530 54.395 52.037 -0.287 0.000 0.633 331 A CB -0.890 18.039 19.000 -0.119 0.000 0.819 331 A HN 0.650 nan 8.150 nan 0.000 0.448 332 K N -0.299 119.968 120.400 -0.223 0.000 2.358 332 K HA 0.176 4.984 4.320 0.814 0.000 0.197 332 K C -0.140 176.350 176.600 -0.183 0.000 1.025 332 K CA 0.306 56.487 56.287 -0.176 0.000 1.104 332 K CB -0.097 32.330 32.500 -0.121 0.000 0.855 332 K HN 0.289 nan 8.250 nan 0.000 0.531 333 D N 1.651 121.911 120.400 -0.233 0.000 2.390 333 D HA -0.014 5.115 4.640 0.814 0.000 0.249 333 D C 0.709 176.890 176.300 -0.198 0.000 1.144 333 D CA 0.309 54.187 54.000 -0.203 0.000 0.880 333 D CB 1.399 42.070 40.800 -0.214 0.000 1.182 333 D HN 0.289 nan 8.370 nan 0.000 0.451 334 T N -0.167 114.302 114.554 -0.141 0.000 2.964 334 T HA 0.082 4.920 4.350 0.814 0.000 0.249 334 T C 1.255 175.901 174.700 -0.089 0.000 1.000 334 T CA -0.260 61.770 62.100 -0.116 0.000 0.992 334 T CB -0.203 68.611 68.868 -0.090 0.000 1.087 334 T HN 0.417 nan 8.240 nan 0.000 0.489 335 E N 1.658 121.808 120.200 -0.084 0.000 2.472 335 E HA 0.180 5.018 4.350 0.814 0.000 0.200 335 E C 1.484 178.043 176.600 -0.069 0.000 1.046 335 E CA 0.322 56.685 56.400 -0.063 0.000 0.871 335 E CB -0.486 29.180 29.700 -0.057 0.000 0.806 335 E HN 0.735 nan 8.360 nan 0.000 0.533 336 G N 1.805 110.542 108.800 -0.106 0.000 2.176 336 G HA2 -0.350 4.098 3.960 0.814 0.000 0.252 336 G HA3 -0.350 4.098 3.960 0.814 0.000 0.252 336 G C 0.704 175.450 174.900 -0.258 0.000 1.024 336 G CA 0.724 45.743 45.100 -0.135 0.000 0.755 336 G HN 0.269 nan 8.290 nan 0.000 0.507 337 K N -1.094 119.173 120.400 -0.221 0.000 2.217 337 K HA 0.125 4.934 4.320 0.814 0.000 0.202 337 K C 0.623 177.006 176.600 -0.361 0.000 1.051 337 K CA 0.702 56.847 56.287 -0.237 0.000 0.952 337 K CB 0.290 32.716 32.500 -0.122 0.000 0.736 337 K HN 0.454 nan 8.250 nan 0.000 0.453 338 I N 1.936 122.313 120.570 -0.322 0.000 2.330 338 I HA 0.066 4.724 4.170 0.814 0.000 0.286 338 I C -0.096 175.873 176.117 -0.248 0.000 1.025 338 I CA -0.474 60.683 61.300 -0.239 0.000 1.197 338 I CB 0.745 38.673 38.000 -0.120 0.000 1.358 338 I HN 0.024 nan 8.210 nan 0.000 0.467 339 H N 6.871 125.790 119.070 -0.251 0.000 2.551 339 H HA 0.196 5.240 4.556 0.814 0.000 0.358 339 H C -1.566 173.294 175.328 -0.781 0.000 1.151 339 H CA -1.806 53.823 56.048 -0.698 0.000 1.374 339 H CB 0.579 29.503 29.762 -1.398 0.000 1.473 339 H HN 0.295 nan 8.280 nan 0.000 0.574 340 P HA -0.186 nan 4.420 nan 0.000 0.215 340 P C 1.295 178.394 177.300 -0.335 0.000 1.157 340 P CA 1.792 64.621 63.100 -0.451 0.000 0.874 340 P CB -0.169 31.465 31.700 -0.110 0.000 0.790 341 W N -0.163 121.149 121.300 0.021 0.000 2.392 341 W HA 0.063 5.211 4.660 0.813 0.000 0.279 341 W C 2.110 178.626 176.519 -0.006 0.000 1.225 341 W CA 0.870 58.216 57.345 0.001 0.000 1.233 341 W CB -1.898 27.568 29.460 0.010 0.000 1.122 341 W HN -0.130 nan 8.180 nan 0.000 0.561 342 A N 0.923 123.687 122.820 -0.093 0.000 1.897 342 A HA -0.094 4.715 4.320 0.814 0.000 0.215 342 A C 2.076 179.633 177.584 -0.046 0.000 1.181 342 A CA 1.883 53.925 52.037 0.008 0.000 0.620 342 A CB -0.758 18.299 19.000 0.095 0.000 0.821 342 A HN 0.319 nan 8.150 nan 0.000 0.443 343 M N -0.151 119.405 119.600 -0.072 0.000 2.065 343 M HA -0.203 4.765 4.480 0.814 0.000 0.259 343 M C 2.187 178.409 176.300 -0.131 0.000 1.069 343 M CA 2.387 57.642 55.300 -0.076 0.000 1.110 343 M CB -0.715 31.469 32.600 -0.695 0.000 1.328 343 M HN 0.550 nan 8.290 nan 0.000 0.405 344 Q N -0.745 118.982 119.800 -0.122 0.000 2.112 344 Q HA -0.211 4.617 4.340 0.814 0.000 0.206 344 Q C 1.908 177.884 176.000 -0.040 0.000 0.987 344 Q CA 2.213 57.988 55.803 -0.046 0.000 0.858 344 Q CB -0.303 28.450 28.738 0.025 0.000 0.905 344 Q HN 0.688 nan 8.270 nan 0.000 0.420 345 A N 0.586 123.383 122.820 -0.039 0.000 1.898 345 A HA -0.194 4.615 4.320 0.814 0.000 0.216 345 A C 1.977 179.491 177.584 -0.116 0.000 1.181 345 A CA 1.735 53.744 52.037 -0.047 0.000 0.620 345 A CB -0.468 18.521 19.000 -0.019 0.000 0.819 345 A HN 0.260 nan 8.150 nan 0.000 0.442 346 K N -0.567 119.695 120.400 -0.229 0.000 2.097 346 K HA -0.094 4.715 4.320 0.814 0.000 0.206 346 K C 1.830 178.334 176.600 -0.161 0.000 1.049 346 K CA 1.734 57.841 56.287 -0.299 0.000 0.933 346 K CB -0.358 31.769 32.500 -0.622 0.000 0.717 346 K HN 0.326 nan 8.250 nan 0.000 0.442 347 M N 0.573 120.105 119.600 -0.113 0.000 2.175 347 M HA -0.085 4.883 4.480 0.814 0.000 0.264 347 M C 1.827 178.101 176.300 -0.043 0.000 1.063 347 M CA 1.670 56.929 55.300 -0.067 0.000 1.119 347 M CB -0.699 31.871 32.600 -0.050 0.000 1.377 347 M HN 0.113 nan 8.290 nan 0.000 0.415 348 K N -0.164 120.213 120.400 -0.037 0.000 2.155 348 K HA -0.154 4.655 4.320 0.814 0.000 0.203 348 K C 1.551 178.146 176.600 -0.009 0.000 1.052 348 K CA 1.225 57.504 56.287 -0.014 0.000 0.948 348 K CB -0.155 32.343 32.500 -0.004 0.000 0.728 348 K HN 0.229 nan 8.250 nan 0.000 0.448 349 D N 1.044 121.425 120.400 -0.032 0.000 2.264 349 D HA -0.093 5.036 4.640 0.814 0.000 0.208 349 D C 1.511 177.805 176.300 -0.010 0.000 0.966 349 D CA 0.630 54.613 54.000 -0.027 0.000 0.864 349 D CB 0.098 40.862 40.800 -0.060 0.000 0.933 349 D HN 0.330 nan 8.370 nan 0.000 0.499 350 I N -2.257 118.312 120.570 -0.002 0.000 3.684 350 I HA 0.135 4.793 4.170 0.814 0.000 0.304 350 I C -0.233 175.929 176.117 0.074 0.000 1.278 350 I CA -0.156 61.163 61.300 0.032 0.000 1.272 350 I CB 0.144 38.166 38.000 0.037 0.000 1.029 350 I HN -0.285 nan 8.210 nan 0.000 0.458 351 V N 3.645 123.598 119.914 0.065 0.000 2.432 351 V HA 0.241 4.850 4.120 0.814 0.000 0.275 351 V C 0.231 176.377 176.094 0.087 0.000 1.043 351 V CA -0.493 61.863 62.300 0.093 0.000 0.925 351 V CB 0.540 32.407 31.823 0.073 0.000 0.985 351 V HN 0.552 nan 8.190 nan 0.000 0.466 352 N N 2.044 120.805 118.700 0.102 0.000 2.716 352 N HA -0.176 5.053 4.740 0.814 0.000 0.250 352 N C 0.366 175.914 175.510 0.064 0.000 1.033 352 N CA 1.240 54.374 53.050 0.140 0.000 0.727 352 N CB -0.759 37.871 38.487 0.238 0.000 0.950 352 N HN 0.830 nan 8.380 nan 0.000 0.541 353 S N 0.123 115.767 115.700 -0.093 0.000 2.531 353 S HA 0.294 5.252 4.470 0.814 0.000 0.279 353 S C -0.939 173.601 174.600 -0.100 0.000 1.305 353 S CA -1.219 56.941 58.200 -0.066 0.000 1.058 353 S CB 1.154 64.323 63.200 -0.051 0.000 0.899 353 S HN -0.014 nan 8.310 nan 0.000 0.493 354 P HA -0.114 nan 4.420 nan 0.000 0.216 354 P C 0.779 178.091 177.300 0.020 0.000 1.150 354 P CA 1.332 64.489 63.100 0.094 0.000 0.843 354 P CB 0.095 31.824 31.700 0.047 0.000 0.787 355 E N -0.926 119.262 120.200 -0.021 0.000 2.150 355 E HA -0.155 4.684 4.350 0.814 0.000 0.193 355 E C 1.652 178.221 176.600 -0.051 0.000 0.985 355 E CA 0.897 57.282 56.400 -0.025 0.000 0.814 355 E CB -0.526 29.170 29.700 -0.007 0.000 0.752 355 E HN 0.250 nan 8.360 nan 0.000 0.466 356 D N 0.018 120.357 120.400 -0.101 0.000 2.144 356 D HA -0.148 4.981 4.640 0.814 0.000 0.199 356 D C 1.333 177.520 176.300 -0.189 0.000 0.984 356 D CA 0.990 54.929 54.000 -0.101 0.000 0.834 356 D CB -0.165 40.570 40.800 -0.109 0.000 0.955 356 D HN 0.258 nan 8.370 nan 0.000 0.465 357 Y N 0.778 121.060 120.300 -0.031 0.000 2.574 357 Y HA -0.014 5.025 4.550 0.814 0.000 0.294 357 Y C 1.845 177.522 175.900 -0.372 0.000 1.142 357 Y CA 0.641 58.637 58.100 -0.173 0.000 1.314 357 Y CB -0.142 38.285 38.460 -0.056 0.000 0.991 357 Y HN -0.052 nan 8.280 nan 0.000 0.555 358 K N -0.597 119.698 120.400 -0.176 0.000 2.358 358 K HA 0.141 4.949 4.320 0.814 0.000 0.197 358 K C 1.561 177.991 176.600 -0.284 0.000 1.025 358 K CA -0.010 56.131 56.287 -0.242 0.000 1.104 358 K CB 0.313 32.739 32.500 -0.124 0.000 0.855 358 K HN 0.208 nan 8.250 nan 0.000 0.531 359 R N 0.234 120.566 120.500 -0.280 0.000 2.254 359 R HA 0.093 4.922 4.340 0.814 0.000 0.195 359 R C 0.170 176.378 176.300 -0.154 0.000 0.957 359 R CA 0.401 56.406 56.100 -0.160 0.000 1.024 359 R CB 0.270 30.537 30.300 -0.054 0.000 0.952 359 R HN 0.076 nan 8.270 nan 0.000 0.484 360 F N -2.736 116.907 119.950 -0.513 0.000 2.611 360 F HA 0.586 5.600 4.527 0.812 0.000 0.324 360 F C -0.893 174.737 175.800 -0.283 0.000 1.061 360 F CA -1.718 56.101 58.000 -0.301 0.000 0.954 360 F CB 0.898 39.616 39.000 -0.469 0.000 1.301 360 F HN -0.312 nan 8.300 nan 0.000 0.482 361 Y N -0.342 119.979 120.300 0.035 0.000 2.570 361 Y HA 0.473 5.511 4.550 0.813 0.000 0.345 361 Y C -0.283 175.595 175.900 -0.038 0.000 1.014 361 Y CA -1.069 57.023 58.100 -0.014 0.000 1.063 361 Y CB 1.717 40.198 38.460 0.035 0.000 1.272 361 Y HN 0.508 nan 8.280 nan 0.000 0.477 362 H N 1.269 120.517 119.070 0.297 0.000 2.458 362 H HA 0.162 5.207 4.556 0.814 0.000 0.330 362 H C -0.941 174.512 175.328 0.208 0.000 1.111 362 H CA -0.677 55.520 56.048 0.248 0.000 1.245 362 H CB 1.863 31.728 29.762 0.172 0.000 1.456 362 H HN 0.493 nan 8.280 nan 0.000 0.488 363 N N 3.061 121.928 118.700 0.277 0.000 2.558 363 N HA 0.074 5.302 4.740 0.814 0.000 0.233 363 N C -1.288 174.324 175.510 0.170 0.000 1.038 363 N CA -0.319 52.843 53.050 0.186 0.000 0.934 363 N CB 0.222 38.788 38.487 0.132 0.000 1.175 363 N HN 0.216 nan 8.380 nan 0.000 0.512 364 V N 4.487 124.504 119.914 0.171 0.000 2.288 364 V HA 0.249 4.858 4.120 0.814 0.000 0.266 364 V C 0.124 176.269 176.094 0.085 0.000 1.048 364 V CA -0.887 61.500 62.300 0.145 0.000 0.842 364 V CB 0.008 31.964 31.823 0.221 0.000 1.064 364 V HN 0.744 nan 8.190 nan 0.000 0.472 365 N N 4.459 123.192 118.700 0.056 0.000 2.716 365 N HA -0.242 4.987 4.740 0.814 0.000 0.250 365 N C 1.211 176.742 175.510 0.034 0.000 1.033 365 N CA 1.340 54.408 53.050 0.031 0.000 0.727 365 N CB -1.072 37.421 38.487 0.010 0.000 0.950 365 N HN 1.344 nan 8.380 nan 0.000 0.541 366 G N -1.076 107.752 108.800 0.046 0.000 2.234 366 G HA2 -0.335 4.113 3.960 0.814 0.000 0.235 366 G HA3 -0.335 4.113 3.960 0.814 0.000 0.235 366 G C -0.026 174.903 174.900 0.049 0.000 0.997 366 G CA 0.551 45.674 45.100 0.038 0.000 0.623 366 G HN 0.574 nan 8.290 nan 0.000 0.514 367 K N 1.334 121.775 120.400 0.069 0.000 2.213 367 K HA 0.497 5.305 4.320 0.814 0.000 0.270 367 K C -0.024 176.651 176.600 0.124 0.000 1.002 367 K CA -0.637 55.700 56.287 0.085 0.000 0.868 367 K CB 0.428 32.980 32.500 0.087 0.000 1.093 367 K HN 0.167 nan 8.250 nan 0.000 0.454 368 K N 4.727 125.196 120.400 0.115 0.000 2.312 368 K HA 0.274 5.082 4.320 0.814 0.000 0.287 368 K C -0.373 176.371 176.600 0.240 0.000 1.062 368 K CA -0.427 55.957 56.287 0.162 0.000 0.934 368 K CB 0.710 33.245 32.500 0.059 0.000 1.027 368 K HN 0.365 nan 8.250 nan 0.000 0.478 369 I N 3.035 123.780 120.570 0.291 0.000 2.436 369 I HA 0.270 4.928 4.170 0.814 0.000 0.289 369 I C 0.317 176.524 176.117 0.151 0.000 1.010 369 I CA -0.792 60.638 61.300 0.216 0.000 1.098 369 I CB 1.497 39.583 38.000 0.143 0.000 1.266 369 I HN 0.562 nan 8.210 nan 0.000 0.434 370 R N 4.083 124.562 120.500 -0.034 0.000 2.570 370 R HA -0.011 4.818 4.340 0.814 0.000 0.277 370 R C 1.659 177.766 176.300 -0.322 0.000 1.039 370 R CA 0.055 55.863 56.100 -0.486 0.000 1.065 370 R CB 0.413 30.403 30.300 -0.517 0.000 0.964 370 R HN 0.607 nan 8.270 nan 0.000 0.428 371 H N 4.128 122.880 119.070 -0.530 0.000 2.352 371 H HA -0.194 4.850 4.556 0.812 0.000 0.299 371 H C 0.955 176.129 175.328 -0.256 0.000 1.097 371 H CA 2.390 58.222 56.048 -0.360 0.000 1.311 371 H CB 0.295 29.481 29.762 -0.960 0.000 1.377 371 H HN 0.809 nan 8.280 nan 0.000 0.504 372 D N 0.918 121.130 120.400 -0.312 0.000 2.182 372 D HA -0.189 4.939 4.640 0.814 0.000 0.201 372 D C 1.801 177.918 176.300 -0.305 0.000 0.986 372 D CA 1.069 54.910 54.000 -0.264 0.000 0.847 372 D CB -0.548 40.154 40.800 -0.163 0.000 0.942 372 D HN 0.367 nan 8.370 nan 0.000 0.467 373 K N -0.098 120.125 120.400 -0.295 0.000 2.362 373 K HA -0.015 4.793 4.320 0.814 0.000 0.200 373 K C 1.377 177.718 176.600 -0.430 0.000 1.046 373 K CA 1.063 57.175 56.287 -0.291 0.000 0.952 373 K CB 0.321 32.697 32.500 -0.206 0.000 0.753 373 K HN 0.307 nan 8.250 nan 0.000 0.466 374 V N -3.429 116.182 119.914 -0.504 0.000 3.172 374 V HA 0.159 4.768 4.120 0.814 0.000 0.343 374 V C 1.185 176.929 176.094 -0.583 0.000 1.429 374 V CA -0.404 61.516 62.300 -0.633 0.000 1.149 374 V CB -0.159 31.163 31.823 -0.835 0.000 1.106 374 V HN 0.129 nan 8.190 nan 0.000 0.526 375 H N 2.691 121.347 119.070 -0.691 0.000 2.357 375 H HA -0.168 4.878 4.556 0.816 0.000 0.296 375 H C 1.845 176.982 175.328 -0.319 0.000 1.108 375 H CA 2.730 58.351 56.048 -0.711 0.000 1.273 375 H CB 0.106 29.530 29.762 -0.562 0.000 1.367 375 H HN 0.467 nan 8.280 nan 0.000 0.498 376 N N 0.081 118.612 118.700 -0.283 0.000 2.521 376 N HA -0.035 5.194 4.740 0.814 0.000 0.188 376 N C 1.160 176.587 175.510 -0.138 0.000 1.146 376 N CA 0.524 53.477 53.050 -0.162 0.000 0.893 376 N CB 0.122 38.622 38.487 0.021 0.000 0.975 376 N HN 0.485 nan 8.380 nan 0.000 0.451 377 L N -1.299 119.778 121.223 -0.245 0.000 2.529 377 L HA 0.129 4.957 4.340 0.814 0.000 0.223 377 L C 1.697 178.533 176.870 -0.056 0.000 1.113 377 L CA -0.033 54.728 54.840 -0.132 0.000 0.861 377 L CB -0.191 41.683 42.059 -0.308 0.000 1.012 377 L HN -0.002 nan 8.230 nan 0.000 0.461 378 F N 1.468 121.306 119.950 -0.186 0.000 2.051 378 F HA -0.118 4.900 4.527 0.818 0.000 0.296 378 F C 2.313 178.084 175.800 -0.049 0.000 1.122 378 F CA 1.901 59.837 58.000 -0.107 0.000 1.201 378 F CB -0.256 38.736 39.000 -0.013 0.000 0.978 378 F HN 0.006 nan 8.300 nan 0.000 0.472 379 G N -1.089 107.881 108.800 0.283 0.000 2.422 379 G HA2 -0.345 4.103 3.960 0.814 0.000 0.218 379 G HA3 -0.345 4.103 3.960 0.814 0.000 0.218 379 G C 1.544 176.579 174.900 0.226 0.000 1.146 379 G CA 0.877 46.121 45.100 0.240 0.000 0.769 379 G HN 0.509 nan 8.290 nan 0.000 0.547 380 Y N 2.266 122.644 120.300 0.130 0.000 2.114 380 Y HA -0.154 4.880 4.550 0.806 0.000 0.282 380 Y C 2.312 178.227 175.900 0.025 0.000 1.165 380 Y CA 1.822 60.023 58.100 0.167 0.000 1.148 380 Y CB -0.663 37.951 38.460 0.257 0.000 0.972 380 Y HN 0.195 nan 8.280 nan 0.000 0.504 381 N N -0.050 118.507 118.700 -0.237 0.000 2.409 381 N HA -0.120 5.109 4.740 0.814 0.000 0.179 381 N C 2.050 177.357 175.510 -0.339 0.000 1.032 381 N CA 1.003 53.783 53.050 -0.450 0.000 0.898 381 N CB -0.203 37.973 38.487 -0.519 0.000 0.971 381 N HN 0.503 nan 8.380 nan 0.000 0.441 382 M N 0.751 120.181 119.600 -0.284 0.000 2.099 382 M HA -0.115 4.853 4.480 0.814 0.000 0.262 382 M C 1.666 177.920 176.300 -0.077 0.000 1.067 382 M CA 1.390 56.553 55.300 -0.229 0.000 1.124 382 M CB -0.161 32.334 32.600 -0.174 0.000 1.353 382 M HN -0.089 nan 8.290 nan 0.000 0.410 383 T N 0.208 114.770 114.554 0.013 0.000 2.833 383 T HA -0.147 4.691 4.350 0.814 0.000 0.269 383 T C 1.745 176.381 174.700 -0.107 0.000 1.054 383 T CA 1.439 63.571 62.100 0.053 0.000 1.135 383 T CB -0.377 68.616 68.868 0.208 0.000 0.869 383 T HN 0.453 nan 8.240 nan 0.000 0.466 384 R N 0.958 121.301 120.500 -0.263 0.000 2.075 384 R HA -0.020 4.808 4.340 0.814 0.000 0.232 384 R C 2.616 178.594 176.300 -0.537 0.000 1.126 384 R CA 1.368 57.027 56.100 -0.736 0.000 0.963 384 R CB -0.436 29.423 30.300 -0.736 0.000 0.858 384 R HN 0.357 nan 8.270 nan 0.000 0.435 385 A N 0.842 123.459 122.820 -0.340 0.000 1.908 385 A HA -0.142 4.666 4.320 0.814 0.000 0.218 385 A C 2.358 179.741 177.584 -0.336 0.000 1.181 385 A CA 1.810 53.704 52.037 -0.238 0.000 0.627 385 A CB -0.815 18.144 19.000 -0.069 0.000 0.818 385 A HN 0.561 nan 8.150 nan 0.000 0.445 386 A N -0.512 122.051 122.820 -0.428 0.000 1.858 386 A HA 0.127 4.935 4.320 0.814 0.000 0.216 386 A C 2.489 179.280 177.584 -1.322 0.000 1.190 386 A CA 2.009 53.425 52.037 -1.036 0.000 0.617 386 A CB -1.544 16.833 19.000 -1.039 0.000 0.827 386 A HN 0.793 nan 8.150 nan 0.000 0.443 387 G N -0.593 107.811 108.800 -0.660 0.000 2.440 387 G HA2 -0.236 4.212 3.960 0.814 0.000 0.218 387 G HA3 -0.236 4.212 3.960 0.814 0.000 0.218 387 G C 1.432 176.279 174.900 -0.089 0.000 1.154 387 G CA 1.078 46.072 45.100 -0.177 0.000 0.767 387 G HN 0.668 nan 8.290 nan 0.000 0.552 388 E N 0.374 120.461 120.200 -0.190 0.000 2.152 388 E HA 0.058 4.896 4.350 0.814 0.000 0.192 388 E C 2.896 179.426 176.600 -0.117 0.000 0.983 388 E CA 0.519 56.867 56.400 -0.086 0.000 0.818 388 E CB -0.100 29.523 29.700 -0.129 0.000 0.758 388 E HN 0.427 nan 8.360 nan 0.000 0.467 389 A N 1.138 123.789 122.820 -0.283 0.000 1.873 389 A HA -0.171 4.637 4.320 0.814 0.000 0.215 389 A C 1.804 179.317 177.584 -0.119 0.000 1.186 389 A CA 1.083 52.969 52.037 -0.252 0.000 0.616 389 A CB -0.711 18.053 19.000 -0.393 0.000 0.823 389 A HN 0.142 nan 8.150 nan 0.000 0.442 390 F N 0.430 120.280 119.950 -0.166 0.000 2.087 390 F HA -0.209 4.723 4.527 0.675 0.000 0.299 390 F C 2.365 178.215 175.800 0.083 0.000 1.100 390 F CA 1.484 59.397 58.000 -0.146 0.000 1.226 390 F CB -1.278 37.659 39.000 -0.105 0.000 0.983 390 F HN 0.356 nan 8.300 nan 0.000 0.479 391 E N -0.340 120.027 120.200 0.278 0.000 2.085 391 E HA -0.208 4.630 4.350 0.814 0.000 0.194 391 E C 2.374 179.064 176.600 0.150 0.000 0.994 391 E CA 1.211 57.740 56.400 0.215 0.000 0.801 391 E CB -0.134 29.670 29.700 0.173 0.000 0.743 391 E HN 0.376 nan 8.360 nan 0.000 0.453 392 R N 0.171 120.731 120.500 0.101 0.000 2.066 392 R HA -0.084 4.744 4.340 0.814 0.000 0.232 392 R C 2.419 178.775 176.300 0.093 0.000 1.131 392 R CA 1.086 57.230 56.100 0.073 0.000 0.955 392 R CB -0.302 30.018 30.300 0.033 0.000 0.851 392 R HN 0.176 nan 8.270 nan 0.000 0.432 393 I N 0.141 120.779 120.570 0.114 0.000 2.113 393 I HA -0.203 4.455 4.170 0.814 0.000 0.238 393 I C 0.613 176.840 176.117 0.182 0.000 1.070 393 I CA 1.233 62.616 61.300 0.137 0.000 1.332 393 I CB 0.048 38.136 38.000 0.146 0.000 1.044 393 I HN 0.080 nan 8.210 nan 0.000 0.402 394 D N -0.940 119.617 120.400 0.261 0.000 2.328 394 D HA 0.184 5.312 4.640 0.814 0.000 0.243 394 D C -2.074 174.378 176.300 0.253 0.000 1.324 394 D CA -1.638 52.515 54.000 0.256 0.000 0.966 394 D CB 1.219 42.208 40.800 0.315 0.000 1.324 394 D HN -0.132 nan 8.370 nan 0.000 0.549 395 P HA -0.016 nan 4.420 nan 0.000 0.223 395 P C 0.711 178.083 177.300 0.121 0.000 1.151 395 P CA 0.726 63.917 63.100 0.152 0.000 0.787 395 P CB 0.532 32.293 31.700 0.101 0.000 0.788 396 E N -0.547 119.713 120.200 0.100 0.000 2.463 396 E HA 0.068 4.906 4.350 0.814 0.000 0.193 396 E C 0.473 177.129 176.600 0.094 0.000 1.041 396 E CA 0.176 56.619 56.400 0.071 0.000 0.879 396 E CB 0.164 29.891 29.700 0.045 0.000 0.997 396 E HN 0.322 nan 8.360 nan 0.000 0.478 397 K N 1.005 121.430 120.400 0.042 0.000 2.292 397 K HA 0.327 5.136 4.320 0.814 0.000 0.257 397 K C -0.481 175.955 176.600 -0.273 0.000 0.940 397 K CA -0.604 55.580 56.287 -0.172 0.000 0.811 397 K CB 1.355 33.672 32.500 -0.306 0.000 1.120 397 K HN -0.216 nan 8.250 nan 0.000 0.428 398 R N 3.420 123.734 120.500 -0.310 0.000 2.298 398 R HA 0.228 5.057 4.340 0.814 0.000 0.310 398 R C -0.835 175.212 176.300 -0.423 0.000 1.068 398 R CA -0.188 55.780 56.100 -0.220 0.000 0.957 398 R CB 0.416 30.625 30.300 -0.152 0.000 1.003 398 R HN 0.372 nan 8.270 nan 0.000 0.454 399 F N 2.589 122.477 119.950 -0.102 0.000 2.443 399 F HA 0.236 4.930 4.527 0.279 0.000 0.335 399 F C 0.287 176.081 175.800 -0.010 0.000 1.104 399 F CA -1.241 56.656 58.000 -0.173 0.000 1.013 399 F CB 1.021 39.634 39.000 -0.644 0.000 1.136 399 F HN 0.247 nan 8.300 nan 0.000 0.470 400 L N 4.668 125.978 121.223 0.146 0.000 2.455 400 L HA 0.414 5.242 4.340 0.814 0.000 0.272 400 L C -0.521 176.519 176.870 0.283 0.000 1.174 400 L CA 0.184 55.110 54.840 0.143 0.000 0.869 400 L CB 0.273 42.368 42.059 0.059 0.000 1.130 400 L HN 0.745 nan 8.230 nan 0.000 0.474 401 M N 6.968 126.731 119.600 0.271 0.000 2.325 401 M HA 0.662 5.630 4.480 0.814 0.000 0.285 401 M C -1.929 174.479 176.300 0.181 0.000 1.119 401 M CA -0.443 54.993 55.300 0.228 0.000 0.959 401 M CB 1.636 34.424 32.600 0.313 0.000 1.737 401 M HN 0.496 nan 8.290 nan 0.000 0.486 402 F N 0.679 120.784 119.950 0.257 0.000 2.693 402 F HA 0.903 5.915 4.527 0.809 0.000 0.309 402 F C -1.223 174.833 175.800 0.427 0.000 1.129 402 F CA -0.768 57.410 58.000 0.297 0.000 0.948 402 F CB 1.061 40.284 39.000 0.372 0.000 1.315 402 F HN 0.639 nan 8.300 nan 0.000 0.447 403 S N 0.293 116.367 115.700 0.624 0.000 2.667 403 S HA 0.533 5.491 4.470 0.814 0.000 0.292 403 S C 0.283 175.144 174.600 0.435 0.000 1.126 403 S CA -0.705 57.789 58.200 0.490 0.000 0.881 403 S CB 2.203 65.605 63.200 0.336 0.000 1.132 403 S HN 0.957 nan 8.310 nan 0.000 0.492 404 R N 0.767 121.424 120.500 0.260 0.000 2.064 404 R HA 0.205 5.033 4.340 0.814 0.000 0.221 404 R C 0.758 176.976 176.300 -0.136 0.000 1.136 404 R CA 0.881 56.860 56.100 -0.202 0.000 0.980 404 R CB -0.428 29.696 30.300 -0.293 0.000 0.876 404 R HN 0.561 nan 8.270 nan 0.000 0.437 405 S N -0.259 115.473 115.700 0.054 0.000 2.617 405 S HA 0.492 5.450 4.470 0.814 0.000 0.283 405 S C -0.762 173.941 174.600 0.173 0.000 1.189 405 S CA -0.144 58.129 58.200 0.121 0.000 1.036 405 S CB 1.478 64.766 63.200 0.146 0.000 1.014 405 S HN 0.437 nan 8.310 nan 0.000 0.522 406 S N 2.238 118.052 115.700 0.190 0.000 2.615 406 S HA 0.629 5.588 4.470 0.814 0.000 0.268 406 S C -1.699 173.152 174.600 0.418 0.000 1.146 406 S CA -0.799 57.589 58.200 0.313 0.000 0.818 406 S CB 0.924 64.278 63.200 0.257 0.000 1.111 406 S HN 1.008 nan 8.310 nan 0.000 0.465 407 Y N 0.289 120.802 120.300 0.354 0.000 2.588 407 Y HA 0.664 5.701 4.550 0.811 0.000 0.343 407 Y C -0.936 175.140 175.900 0.293 0.000 1.065 407 Y CA -1.232 57.081 58.100 0.356 0.000 1.038 407 Y CB 1.214 39.849 38.460 0.293 0.000 1.297 407 Y HN 0.925 nan 8.280 nan 0.000 0.467 408 I N 4.123 124.549 120.570 -0.239 0.000 2.648 408 I HA 0.225 4.884 4.170 0.814 0.000 0.284 408 I C 1.053 177.054 176.117 -0.194 0.000 1.153 408 I CA 1.973 63.174 61.300 -0.165 0.000 1.426 408 I CB 0.448 38.297 38.000 -0.252 0.000 1.381 408 I HN 0.970 nan 8.210 nan 0.000 0.571 409 G N 4.722 113.505 108.800 -0.029 0.000 2.284 409 G HA2 -0.280 4.168 3.960 0.814 0.000 0.216 409 G HA3 -0.280 4.168 3.960 0.814 0.000 0.216 409 G C 0.871 175.595 174.900 -0.293 0.000 1.009 409 G CA 0.294 45.300 45.100 -0.157 0.000 0.625 409 G HN 0.552 nan 8.290 nan 0.000 0.501 410 M N 1.682 121.081 119.600 -0.334 0.000 2.394 410 M HA 0.033 5.001 4.480 0.814 0.000 0.264 410 M C 2.395 178.797 176.300 0.170 0.000 1.073 410 M CA 1.826 57.264 55.300 0.230 0.000 1.111 410 M CB -0.459 32.406 32.600 0.441 0.000 1.401 410 M HN 0.606 nan 8.290 nan 0.000 0.448 411 H N -0.518 118.375 119.070 -0.295 0.000 2.518 411 H HA -0.115 4.936 4.556 0.824 0.000 0.292 411 H C 1.321 176.502 175.328 -0.245 0.000 1.068 411 H CA 1.064 56.748 56.048 -0.607 0.000 1.275 411 H CB -0.741 28.253 29.762 -1.279 0.000 1.375 411 H HN 0.461 nan 8.280 nan 0.000 0.563 412 R N -0.294 119.631 120.500 -0.959 0.000 2.236 412 R HA -0.010 4.819 4.340 0.814 0.000 0.208 412 R C 0.920 176.944 176.300 -0.460 0.000 1.036 412 R CA 1.011 56.625 56.100 -0.809 0.000 1.001 412 R CB 0.088 29.715 30.300 -1.122 0.000 0.896 412 R HN 0.407 nan 8.270 nan 0.000 0.464 413 Y N -1.132 119.210 120.300 0.070 0.000 2.483 413 Y HA 0.387 5.404 4.550 0.778 0.000 0.258 413 Y C 1.111 177.059 175.900 0.080 0.000 1.083 413 Y CA -0.023 58.173 58.100 0.160 0.000 1.283 413 Y CB 1.179 39.710 38.460 0.118 0.000 1.178 413 Y HN 0.002 nan 8.280 nan 0.000 0.515 414 G N -0.895 107.944 108.800 0.066 0.000 2.523 414 G HA2 0.459 4.908 3.960 0.814 0.000 0.291 414 G HA3 0.459 4.908 3.960 0.814 0.000 0.291 414 G C -0.600 174.306 174.900 0.009 0.000 1.450 414 G CA -0.269 44.604 45.100 -0.378 0.000 0.790 414 G HN 0.231 nan 8.290 nan 0.000 0.496 415 G N -1.299 107.554 108.800 0.088 0.000 2.510 415 G HA2 0.610 5.058 3.960 0.814 0.000 0.280 415 G HA3 0.610 5.058 3.960 0.814 0.000 0.280 415 G C -0.575 174.624 174.900 0.500 0.000 1.386 415 G CA -0.573 44.814 45.100 0.478 0.000 1.047 415 G HN 0.576 nan 8.290 nan 0.000 0.527 416 I N -0.089 120.706 120.570 0.375 0.000 2.730 416 I HA 0.452 5.110 4.170 0.814 0.000 0.298 416 I C -0.947 175.296 176.117 0.209 0.000 1.089 416 I CA -0.728 60.730 61.300 0.265 0.000 1.041 416 I CB 1.878 39.897 38.000 0.032 0.000 1.235 416 I HN 0.743 nan 8.210 nan 0.000 0.423 417 W N 4.981 126.310 121.300 0.049 0.000 2.736 417 W HA 0.703 5.848 4.660 0.809 0.000 0.335 417 W C -1.866 174.631 176.519 -0.037 0.000 1.059 417 W CA -1.371 55.924 57.345 -0.083 0.000 1.226 417 W CB 1.091 30.486 29.460 -0.110 0.000 1.416 417 W HN 0.326 nan 8.180 nan 0.000 0.505 418 M N 3.923 123.516 119.600 -0.013 0.000 2.129 418 M HA 0.501 5.469 4.480 0.814 0.000 0.348 418 M C 0.570 176.878 176.300 0.014 0.000 1.116 418 M CA -0.149 55.090 55.300 -0.102 0.000 1.022 418 M CB 1.554 34.154 32.600 -0.001 0.000 1.599 418 M HN 0.569 nan 8.290 nan 0.000 0.449 423 S N 2.218 117.677 115.700 -0.401 0.000 3.965 423 S HA 0.272 5.230 4.470 0.814 0.000 0.195 423 S C -1.097 173.534 174.600 0.052 0.000 1.449 423 S CA -0.596 57.500 58.200 -0.173 0.000 0.965 423 S CB -0.389 62.766 63.200 -0.076 0.000 1.459 423 S HN 0.231 nan 8.310 nan 0.000 0.476 424 W N -0.069 121.175 121.300 -0.094 0.000 2.606 424 W HA 0.372 5.521 4.660 0.816 0.000 0.332 424 W C 0.402 176.950 176.519 0.049 0.000 1.052 424 W CA -2.405 54.906 57.345 -0.057 0.000 1.223 424 W CB 0.107 29.420 29.460 -0.245 0.000 1.383 424 W HN 0.533 nan 8.180 nan 0.000 0.524 425 W N 1.001 122.484 121.300 0.306 0.000 2.342 425 W HA -0.240 4.909 4.660 0.816 0.000 0.297 425 W C 2.550 179.261 176.519 0.321 0.000 1.213 425 W CA 2.679 60.196 57.345 0.285 0.000 1.251 425 W CB -0.818 28.767 29.460 0.208 0.000 1.136 425 W HN 0.342 nan 8.180 nan 0.000 0.526 426 S N -1.532 114.461 115.700 0.488 0.000 2.447 426 S HA -0.208 4.750 4.470 0.814 0.000 0.233 426 S C 1.406 176.282 174.600 0.460 0.000 1.006 426 S CA 1.351 59.789 58.200 0.397 0.000 0.957 426 S CB -0.672 62.702 63.200 0.290 0.000 0.773 426 S HN 0.285 nan 8.310 nan 0.000 0.507 427 H N 1.134 120.434 119.070 0.384 0.000 2.547 427 H HA 0.336 5.381 4.556 0.815 0.000 0.272 427 H C 1.757 177.272 175.328 0.311 0.000 0.989 427 H CA 0.202 56.447 56.048 0.328 0.000 1.214 427 H CB -0.383 29.564 29.762 0.308 0.000 1.389 427 H HN 0.454 nan 8.280 nan 0.000 0.577 428 I N -0.412 120.412 120.570 0.424 0.000 2.163 428 I HA -0.247 4.411 4.170 0.814 0.000 0.240 428 I C 2.274 178.420 176.117 0.048 0.000 1.081 428 I CA 0.892 62.311 61.300 0.199 0.000 1.353 428 I CB -0.166 37.984 38.000 0.249 0.000 1.054 428 I HN 0.176 nan 8.210 nan 0.000 0.407 429 L N 0.596 121.834 121.223 0.025 0.000 2.093 429 L HA -0.178 4.650 4.340 0.814 0.000 0.208 429 L C 2.201 179.022 176.870 -0.082 0.000 1.085 429 L CA 1.589 56.308 54.840 -0.202 0.000 0.755 429 L CB -0.662 41.134 42.059 -0.437 0.000 0.904 429 L HN 0.157 nan 8.230 nan 0.000 0.435 430 L N 0.041 121.296 121.223 0.054 0.000 1.989 430 L HA -0.251 4.577 4.340 0.814 0.000 0.211 430 L C 2.108 178.970 176.870 -0.012 0.000 1.071 430 L CA 2.237 57.108 54.840 0.051 0.000 0.749 430 L CB -1.139 40.999 42.059 0.132 0.000 0.890 430 L HN 0.448 nan 8.230 nan 0.000 0.431 431 N N -0.914 117.783 118.700 -0.004 0.000 2.166 431 N HA -0.216 5.012 4.740 0.814 0.000 0.186 431 N C 1.757 177.199 175.510 -0.114 0.000 1.019 431 N CA 1.258 54.280 53.050 -0.046 0.000 0.856 431 N CB -0.318 38.152 38.487 -0.029 0.000 0.993 431 N HN 0.325 nan 8.380 nan 0.000 0.426 432 L N 1.791 122.927 121.223 -0.146 0.000 1.989 432 L HA -0.186 4.643 4.340 0.814 0.000 0.211 432 L C 1.630 178.378 176.870 -0.203 0.000 1.071 432 L CA 1.842 56.556 54.840 -0.210 0.000 0.749 432 L CB -0.324 41.616 42.059 -0.199 0.000 0.890 432 L HN 0.019 nan 8.230 nan 0.000 0.431 433 K N -1.210 119.105 120.400 -0.142 0.000 2.211 433 K HA -0.152 4.656 4.320 0.814 0.000 0.203 433 K C 2.087 178.636 176.600 -0.085 0.000 1.050 433 K CA 1.604 57.825 56.287 -0.109 0.000 0.945 433 K CB -0.213 32.242 32.500 -0.075 0.000 0.732 433 K HN 0.378 nan 8.250 nan 0.000 0.451 434 M N 0.697 120.252 119.600 -0.075 0.000 2.319 434 M HA -0.085 4.883 4.480 0.814 0.000 0.265 434 M C 1.608 177.892 176.300 -0.027 0.000 1.068 434 M CA 1.078 56.353 55.300 -0.042 0.000 1.118 434 M CB 0.091 32.670 32.600 -0.035 0.000 1.395 434 M HN 0.081 nan 8.290 nan 0.000 0.435 435 L N 0.059 121.236 121.223 -0.077 0.000 1.976 435 L HA -0.163 4.665 4.340 0.814 0.000 0.209 435 L C -0.629 176.276 176.870 0.059 0.000 1.071 435 L CA 1.396 56.221 54.840 -0.026 0.000 0.746 435 L CB -2.430 39.465 42.059 -0.274 0.000 0.890 435 L HN 0.184 nan 8.230 nan 0.000 0.432 436 P HA -0.142 nan 4.420 nan 0.000 0.215 436 P C 1.706 179.004 177.300 -0.003 0.000 1.157 436 P CA 1.628 64.708 63.100 -0.032 0.000 0.874 436 P CB -0.037 31.560 31.700 -0.171 0.000 0.790 437 S N -0.257 115.444 115.700 0.003 0.000 2.370 437 S HA -0.116 4.842 4.470 0.814 0.000 0.226 437 S C 1.977 176.645 174.600 0.113 0.000 1.033 437 S CA 1.126 59.353 58.200 0.045 0.000 1.011 437 S CB -1.233 61.980 63.200 0.020 0.000 0.852 437 S HN 0.107 nan 8.310 nan 0.000 0.457 438 L N 1.756 123.054 121.223 0.125 0.000 2.083 438 L HA -0.113 4.715 4.340 0.814 0.000 0.209 438 L C 2.339 179.338 176.870 0.216 0.000 1.083 438 L CA 0.990 55.941 54.840 0.186 0.000 0.752 438 L CB -0.535 41.626 42.059 0.171 0.000 0.899 438 L HN 0.377 nan 8.230 nan 0.000 0.433 439 N N -0.226 118.582 118.700 0.179 0.000 2.142 439 N HA -0.164 5.064 4.740 0.814 0.000 0.186 439 N C 1.921 177.512 175.510 0.135 0.000 1.023 439 N CA 1.306 54.449 53.050 0.153 0.000 0.852 439 N CB -0.097 38.491 38.487 0.168 0.000 0.998 439 N HN 0.351 nan 8.380 nan 0.000 0.424 440 M N 0.116 119.821 119.600 0.174 0.000 2.195 440 M HA -0.158 4.810 4.480 0.814 0.000 0.260 440 M C 1.641 178.113 176.300 0.287 0.000 1.066 440 M CA 1.136 56.600 55.300 0.274 0.000 1.089 440 M CB -0.160 32.619 32.600 0.299 0.000 1.377 440 M HN 0.229 nan 8.290 nan 0.000 0.411 441 C N -0.148 119.267 119.300 0.192 0.000 2.855 441 C HA 0.442 5.390 4.460 0.814 0.000 0.279 441 C C 1.687 176.479 174.990 -0.329 0.000 1.270 441 C CA 0.115 59.188 59.018 0.091 0.000 1.702 441 C CB -0.875 26.961 27.740 0.160 0.000 1.949 441 C HN 0.854 nan 8.230 nan 0.000 0.618 442 G N 0.534 109.148 108.800 -0.310 0.000 2.176 442 G HA2 -0.230 4.218 3.960 0.814 0.000 0.232 442 G HA3 -0.230 4.218 3.960 0.814 0.000 0.232 442 G C -0.152 174.518 174.900 -0.383 0.000 0.986 442 G CA -0.407 44.381 45.100 -0.521 0.000 0.643 442 G HN 0.448 nan 8.290 nan 0.000 0.522 443 F N 1.054 120.991 119.950 -0.022 0.000 2.368 443 F HA 0.702 5.716 4.527 0.811 0.000 0.362 443 F C 1.543 177.407 175.800 0.107 0.000 1.137 443 F CA -0.418 57.629 58.000 0.079 0.000 1.161 443 F CB 1.174 40.198 39.000 0.039 0.000 1.265 443 F HN -0.019 nan 8.300 nan 0.000 0.530 444 M N 1.416 121.178 119.600 0.269 0.000 2.730 444 M HA 0.061 5.029 4.480 0.814 0.000 0.258 444 M C 0.040 176.546 176.300 0.343 0.000 1.279 444 M CA 0.281 55.702 55.300 0.201 0.000 1.183 444 M CB 0.360 32.910 32.600 -0.083 0.000 1.291 444 M HN 0.372 nan 8.290 nan 0.000 0.518 445 Y N 3.342 123.864 120.300 0.370 0.000 2.616 445 Y HA 0.213 5.266 4.550 0.838 0.000 0.350 445 Y C 0.160 176.137 175.900 0.128 0.000 1.119 445 Y CA -0.168 58.059 58.100 0.211 0.000 1.467 445 Y CB -0.143 38.474 38.460 0.262 0.000 1.287 445 Y HN 0.078 nan 8.280 nan 0.000 0.504 446 T N 1.365 115.755 114.554 -0.273 0.000 2.865 446 T HA 0.956 5.794 4.350 0.814 0.000 0.294 446 T C -0.266 174.256 174.700 -0.296 0.000 1.119 446 T CA -0.386 61.592 62.100 -0.203 0.000 1.007 446 T CB 1.858 70.739 68.868 0.022 0.000 1.225 446 T HN 0.762 nan 8.240 nan 0.000 0.515 447 G N -0.652 108.028 108.800 -0.200 0.000 2.495 447 G HA2 0.771 5.219 3.960 0.814 0.000 0.294 447 G HA3 0.771 5.219 3.960 0.814 0.000 0.294 447 G C -1.624 173.269 174.900 -0.012 0.000 1.397 447 G CA -0.369 44.653 45.100 -0.131 0.000 0.790 447 G HN 1.262 nan 8.290 nan 0.000 0.486 448 A N -0.283 122.585 122.820 0.080 0.000 2.423 448 A HA 0.846 5.654 4.320 0.814 0.000 0.304 448 A C -1.192 176.594 177.584 0.337 0.000 1.104 448 A CA -0.639 51.534 52.037 0.227 0.000 0.757 448 A CB 1.691 20.856 19.000 0.274 0.000 1.313 448 A HN 0.504 nan 8.150 nan 0.000 0.423 449 D N -0.096 120.491 120.400 0.312 0.000 2.385 449 D HA 0.409 5.538 4.640 0.814 0.000 0.254 449 D C -0.655 175.643 176.300 -0.004 0.000 1.053 449 D CA -0.181 53.934 54.000 0.192 0.000 0.992 449 D CB 1.687 42.579 40.800 0.153 0.000 1.145 449 D HN 0.330 nan 8.370 nan 0.000 0.523 450 L N 1.342 122.419 121.223 -0.244 0.000 2.701 450 L HA 0.361 5.189 4.340 0.814 0.000 0.237 450 L C 0.818 177.590 176.870 -0.163 0.000 1.204 450 L CA -0.005 54.531 54.840 -0.506 0.000 1.109 450 L CB -0.398 41.173 42.059 -0.812 0.000 1.409 450 L HN 0.567 nan 8.230 nan 0.000 0.428 457 T N 0.627 115.245 114.554 0.107 0.000 2.855 457 T HA 0.644 5.482 4.350 0.814 0.000 0.281 457 T C 0.267 175.063 174.700 0.160 0.000 1.007 457 T CA -0.477 61.685 62.100 0.103 0.000 1.009 457 T CB 1.779 70.700 68.868 0.089 0.000 0.983 457 T HN 0.059 nan 8.240 nan 0.000 0.455 458 T N -0.105 114.510 114.554 0.102 0.000 2.925 458 T HA 0.454 5.292 4.350 0.814 0.000 0.285 458 T C 1.276 175.905 174.700 -0.119 0.000 1.021 458 T CA -1.063 61.090 62.100 0.088 0.000 1.042 458 T CB 1.846 70.812 68.868 0.162 0.000 1.037 458 T HN 0.536 nan 8.240 nan 0.000 0.481 459 R N 0.917 121.224 120.500 -0.321 0.000 2.094 459 R HA -0.189 4.639 4.340 0.814 0.000 0.239 459 R C 1.880 178.056 176.300 -0.207 0.000 1.137 459 R CA 2.600 58.341 56.100 -0.598 0.000 0.943 459 R CB -0.574 29.495 30.300 -0.384 0.000 0.850 459 R HN 0.913 nan 8.270 nan 0.000 0.433 460 D N 0.549 120.926 120.400 -0.037 0.000 2.117 460 D HA -0.209 4.919 4.640 0.814 0.000 0.197 460 D C 2.026 178.346 176.300 0.034 0.000 0.987 460 D CA 0.835 54.882 54.000 0.077 0.000 0.829 460 D CB -0.626 40.320 40.800 0.243 0.000 0.961 460 D HN 0.294 nan 8.370 nan 0.000 0.460 461 L N 0.182 121.359 121.223 -0.077 0.000 2.042 461 L HA -0.087 4.742 4.340 0.814 0.000 0.210 461 L C 2.306 179.012 176.870 -0.273 0.000 1.076 461 L CA 1.247 55.734 54.840 -0.589 0.000 0.749 461 L CB -0.937 40.758 42.059 -0.605 0.000 0.893 461 L HN 0.102 nan 8.230 nan 0.000 0.432 462 L N -0.745 120.407 121.223 -0.118 0.000 1.994 462 L HA -0.190 4.638 4.340 0.814 0.000 0.208 462 L C 2.352 179.276 176.870 0.090 0.000 1.071 462 L CA 1.910 56.767 54.840 0.028 0.000 0.745 462 L CB -0.768 41.351 42.059 0.100 0.000 0.892 462 L HN 0.311 nan 8.230 nan 0.000 0.431 463 L N -0.841 120.370 121.223 -0.020 0.000 2.042 463 L HA -0.202 4.627 4.340 0.814 0.000 0.210 463 L C 2.810 179.687 176.870 0.012 0.000 1.076 463 L CA 0.968 55.753 54.840 -0.091 0.000 0.749 463 L CB -0.616 41.274 42.059 -0.282 0.000 0.893 463 L HN 0.245 nan 8.230 nan 0.000 0.432 464 R N -0.638 119.883 120.500 0.036 0.000 2.081 464 R HA -0.150 4.678 4.340 0.814 0.000 0.235 464 R C 2.193 178.562 176.300 0.115 0.000 1.131 464 R CA 1.414 57.571 56.100 0.095 0.000 0.960 464 R CB -1.020 29.360 30.300 0.133 0.000 0.856 464 R HN 0.266 nan 8.270 nan 0.000 0.436 465 F N 1.266 121.198 119.950 -0.029 0.000 2.134 465 F HA -0.122 4.892 4.527 0.812 0.000 0.299 465 F C 2.210 178.056 175.800 0.077 0.000 1.097 465 F CA 1.216 59.228 58.000 0.020 0.000 1.264 465 F CB -0.154 38.839 39.000 -0.012 0.000 1.001 465 F HN -0.095 nan 8.300 nan 0.000 0.479 466 L N -0.630 120.753 121.223 0.267 0.000 2.141 466 L HA -0.188 4.640 4.340 0.814 0.000 0.209 466 L C 2.610 179.536 176.870 0.092 0.000 1.094 466 L CA 0.997 55.955 54.840 0.197 0.000 0.763 466 L CB -0.881 41.281 42.059 0.173 0.000 0.908 466 L HN 0.187 nan 8.230 nan 0.000 0.437 467 A N -0.358 122.510 122.820 0.079 0.000 2.067 467 A HA -0.160 4.648 4.320 0.814 0.000 0.219 467 A C 2.121 179.805 177.584 0.167 0.000 1.158 467 A CA 1.219 53.310 52.037 0.090 0.000 0.661 467 A CB -0.339 18.730 19.000 0.115 0.000 0.801 467 A HN 0.355 nan 8.150 nan 0.000 0.452 468 L N -0.451 120.836 121.223 0.107 0.000 2.102 468 L HA 0.203 5.032 4.340 0.814 0.000 0.202 468 L C 2.269 179.227 176.870 0.146 0.000 1.076 468 L CA 2.205 57.124 54.840 0.131 0.000 0.761 468 L CB -1.133 40.864 42.059 -0.104 0.000 0.921 468 L HN 0.216 nan 8.230 nan 0.000 0.444 469 G N -0.581 108.237 108.800 0.029 0.000 2.479 469 G HA2 -0.204 4.244 3.960 0.814 0.000 0.220 469 G HA3 -0.204 4.244 3.960 0.814 0.000 0.220 469 G C 1.547 176.494 174.900 0.077 0.000 1.115 469 G CA 0.997 46.141 45.100 0.073 0.000 0.757 469 G HN 0.330 nan 8.290 nan 0.000 0.560 470 V N -0.028 119.871 119.914 -0.025 0.000 2.439 470 V HA -0.193 4.416 4.120 0.814 0.000 0.253 470 V C 2.283 178.205 176.094 -0.287 0.000 1.074 470 V CA 1.724 63.869 62.300 -0.258 0.000 1.076 470 V CB -0.468 30.999 31.823 -0.593 0.000 0.664 470 V HN 0.418 nan 8.190 nan 0.000 0.461 471 F N -0.325 119.756 119.950 0.218 0.000 2.656 471 F HA 0.127 5.141 4.527 0.813 0.000 0.291 471 F C 1.495 177.584 175.800 0.481 0.000 1.122 471 F CA 0.232 58.444 58.000 0.353 0.000 1.427 471 F CB -0.519 38.737 39.000 0.427 0.000 1.125 471 F HN 0.115 nan 8.300 nan 0.000 0.583 472 T N -1.467 113.368 114.554 0.468 0.000 2.832 472 T HA 0.194 5.032 4.350 0.814 0.000 0.296 472 T C -1.926 172.796 174.700 0.037 0.000 0.968 472 T CA -1.847 60.461 62.100 0.347 0.000 1.107 472 T CB 1.589 70.555 68.868 0.164 0.000 0.916 472 T HN -0.190 nan 8.240 nan 0.000 0.517 473 P HA -0.054 nan 4.420 nan 0.000 0.216 473 P C 0.470 177.278 177.300 -0.820 0.000 1.153 473 P CA 0.438 63.203 63.100 -0.559 0.000 0.858 473 P CB 0.012 31.302 31.700 -0.684 0.000 0.789 474 L N -0.055 120.586 121.223 -0.970 0.000 2.295 474 L HA 0.297 5.126 4.340 0.814 0.000 0.288 474 L C -0.248 176.422 176.870 -0.334 0.000 1.079 474 L CA 0.171 54.548 54.840 -0.771 0.000 0.830 474 L CB -0.553 40.959 42.059 -0.911 0.000 1.200 474 L HN -0.114 nan 8.230 nan 0.000 0.438 475 M N 7.404 126.891 119.600 -0.187 0.000 2.023 475 M HA 0.483 5.451 4.480 0.814 0.000 0.325 475 M C -1.005 175.250 176.300 -0.075 0.000 0.963 475 M CA -0.501 54.788 55.300 -0.019 0.000 0.928 475 M CB 0.360 33.029 32.600 0.116 0.000 1.429 475 M HN 0.804 nan 8.290 nan 0.000 0.404 476 R N 1.763 122.205 120.500 -0.096 0.000 2.707 476 R HA 0.551 5.380 4.340 0.814 0.000 0.272 476 R C -1.855 174.421 176.300 -0.041 0.000 1.011 476 R CA -0.923 55.021 56.100 -0.260 0.000 0.893 476 R CB 1.411 31.506 30.300 -0.343 0.000 1.233 476 R HN 0.378 nan 8.270 nan 0.000 0.464 477 D N 0.961 121.347 120.400 -0.025 0.000 2.274 477 D HA 0.293 5.421 4.640 0.814 0.000 0.239 477 D C -1.163 175.216 176.300 0.132 0.000 1.104 477 D CA 0.005 54.116 54.000 0.185 0.000 0.840 477 D CB 0.913 41.952 40.800 0.397 0.000 1.100 477 D HN 0.589 nan 8.370 nan 0.000 0.477 488 C N 0.386 119.375 119.300 -0.519 0.000 2.467 488 C HA -0.005 4.944 4.460 0.814 0.000 0.279 488 C C 1.901 176.516 174.990 -0.625 0.000 1.347 488 C CA 0.952 59.674 59.018 -0.492 0.000 1.748 488 C CB -0.793 26.776 27.740 -0.286 0.000 1.977 488 C HN 0.665 nan 8.230 nan 0.000 0.501 489 Y N -0.745 119.359 120.300 -0.328 0.000 2.523 489 Y HA 0.264 5.302 4.550 0.813 0.000 0.279 489 Y C 1.751 177.473 175.900 -0.297 0.000 1.139 489 Y CA 0.122 58.047 58.100 -0.293 0.000 1.296 489 Y CB -1.477 36.840 38.460 -0.239 0.000 1.045 489 Y HN 0.247 nan 8.280 nan 0.000 0.538 490 Q N 0.795 120.421 119.800 -0.290 0.000 2.292 490 Q HA 0.233 5.061 4.340 0.814 0.000 0.247 490 Q C -1.283 174.200 176.000 -0.862 0.000 0.911 490 Q CA 0.078 55.604 55.803 -0.460 0.000 0.948 490 Q CB -0.261 28.140 28.738 -0.561 0.000 1.093 490 Q HN 0.373 nan 8.270 nan 0.000 0.428 491 F N -0.483 119.396 119.950 -0.118 0.000 2.894 491 F HA 0.248 5.263 4.527 0.813 0.000 0.332 491 F C 0.078 175.898 175.800 0.033 0.000 1.192 491 F CA -1.313 56.661 58.000 -0.044 0.000 0.980 491 F CB 0.787 39.752 39.000 -0.057 0.000 1.448 491 F HN -0.081 nan 8.300 nan 0.000 0.514 492 E N -0.239 120.181 120.200 0.366 0.000 2.248 492 E HA 0.354 5.193 4.350 0.814 0.000 0.272 492 E C -1.236 175.537 176.600 0.288 0.000 1.008 492 E CA -0.735 55.812 56.400 0.244 0.000 0.856 492 E CB 0.894 30.708 29.700 0.190 0.000 1.120 492 E HN 0.667 nan 8.360 nan 0.000 0.397 493 N N 1.086 119.908 118.700 0.204 0.000 2.608 493 N HA -0.213 5.015 4.740 0.814 0.000 0.273 493 N C 0.370 176.066 175.510 0.311 0.000 1.133 493 N CA 0.455 53.621 53.050 0.194 0.000 0.726 493 N CB -0.971 37.599 38.487 0.138 0.000 0.890 493 N HN 0.662 nan 8.380 nan 0.000 0.548 494 I N 0.704 121.432 120.570 0.265 0.000 2.756 494 I HA -0.216 4.443 4.170 0.814 0.000 0.262 494 I C 2.335 178.624 176.117 0.285 0.000 1.225 494 I CA 1.221 62.709 61.300 0.314 0.000 1.472 494 I CB 0.026 38.104 38.000 0.131 0.000 1.094 494 I HN 0.443 nan 8.210 nan 0.000 0.454 495 E N 0.547 120.850 120.200 0.171 0.000 2.153 495 E HA -0.279 4.559 4.350 0.814 0.000 0.194 495 E C 1.226 177.864 176.600 0.065 0.000 0.988 495 E CA 1.351 57.811 56.400 0.101 0.000 0.811 495 E CB -0.619 29.118 29.700 0.062 0.000 0.746 495 E HN 0.475 nan 8.360 nan 0.000 0.466 496 D N 0.757 121.175 120.400 0.030 0.000 2.133 496 D HA -0.145 4.984 4.640 0.814 0.000 0.195 496 D C 1.856 178.030 176.300 -0.210 0.000 0.997 496 D CA 1.175 55.086 54.000 -0.149 0.000 0.840 496 D CB -0.567 40.043 40.800 -0.317 0.000 0.947 496 D HN 0.296 nan 8.370 nan 0.000 0.452 497 F N 0.482 120.427 119.950 -0.008 0.000 2.206 497 F HA 0.038 5.053 4.527 0.813 0.000 0.298 497 F C 2.521 178.285 175.800 -0.061 0.000 1.090 497 F CA 0.453 58.435 58.000 -0.031 0.000 1.323 497 F CB -0.260 38.731 39.000 -0.015 0.000 1.028 497 F HN -0.153 nan 8.300 nan 0.000 0.492 498 R N 0.373 120.956 120.500 0.139 0.000 2.073 498 R HA -0.180 4.649 4.340 0.814 0.000 0.234 498 R C 2.528 178.831 176.300 0.005 0.000 1.134 498 R CA 1.643 57.773 56.100 0.049 0.000 0.952 498 R CB -0.684 29.649 30.300 0.056 0.000 0.850 498 R HN 0.291 nan 8.270 nan 0.000 0.433 499 S N -0.109 115.592 115.700 0.001 0.000 2.359 499 S HA -0.113 4.846 4.470 0.814 0.000 0.224 499 S C 2.011 176.585 174.600 -0.043 0.000 1.035 499 S CA 1.649 59.839 58.200 -0.018 0.000 1.018 499 S CB -0.266 62.922 63.200 -0.020 0.000 0.876 499 S HN 0.251 nan 8.310 nan 0.000 0.448 500 V N 2.434 122.312 119.914 -0.061 0.000 2.407 500 V HA -0.107 4.501 4.120 0.814 0.000 0.248 500 V C 2.355 178.396 176.094 -0.089 0.000 1.055 500 V CA 1.602 63.856 62.300 -0.076 0.000 1.049 500 V CB -0.542 31.236 31.823 -0.076 0.000 0.662 500 V HN 0.558 nan 8.190 nan 0.000 0.455 501 I N 0.309 120.830 120.570 -0.082 0.000 2.546 501 I HA -0.121 4.537 4.170 0.814 0.000 0.255 501 I C 2.210 178.335 176.117 0.013 0.000 1.163 501 I CA 1.118 62.377 61.300 -0.069 0.000 1.457 501 I CB -1.296 36.601 38.000 -0.173 0.000 1.092 501 I HN 0.357 nan 8.210 nan 0.000 0.434 502 N N 1.842 120.519 118.700 -0.037 0.000 2.104 502 N HA -0.127 5.101 4.740 0.814 0.000 0.190 502 N C 2.015 177.454 175.510 -0.118 0.000 1.024 502 N CA 1.716 54.745 53.050 -0.035 0.000 0.853 502 N CB -0.293 38.173 38.487 -0.034 0.000 1.008 502 N HN 0.361 nan 8.380 nan 0.000 0.424 503 A N 1.045 123.712 122.820 -0.255 0.000 1.908 503 A HA -0.199 4.609 4.320 0.814 0.000 0.218 503 A C 2.257 179.549 177.584 -0.486 0.000 1.181 503 A CA 1.975 53.629 52.037 -0.640 0.000 0.627 503 A CB -0.536 18.100 19.000 -0.606 0.000 0.818 503 A HN 0.274 nan 8.150 nan 0.000 0.445 504 R N -1.272 119.088 120.500 -0.232 0.000 2.073 504 R HA -0.154 4.675 4.340 0.814 0.000 0.234 504 R C 1.747 177.989 176.300 -0.096 0.000 1.134 504 R CA 2.100 58.108 56.100 -0.153 0.000 0.952 504 R CB -1.011 29.273 30.300 -0.028 0.000 0.850 504 R HN 0.533 nan 8.270 nan 0.000 0.433 505 Y N 0.239 120.487 120.300 -0.087 0.000 2.373 505 Y HA 0.069 5.108 4.550 0.815 0.000 0.293 505 Y C 2.185 178.062 175.900 -0.039 0.000 1.129 505 Y CA 1.332 59.416 58.100 -0.027 0.000 1.226 505 Y CB 0.007 38.465 38.460 -0.004 0.000 1.000 505 Y HN 0.048 nan 8.280 nan 0.000 0.549 506 R N -0.423 120.091 120.500 0.023 0.000 2.148 506 R HA -0.040 4.789 4.340 0.814 0.000 0.223 506 R C 1.481 177.791 176.300 0.017 0.000 1.088 506 R CA 0.963 57.066 56.100 0.005 0.000 0.985 506 R CB -0.237 30.034 30.300 -0.048 0.000 0.880 506 R HN 0.343 nan 8.270 nan 0.000 0.451 507 L N -0.006 121.188 121.223 -0.048 0.000 2.607 507 L HA 0.039 4.867 4.340 0.814 0.000 0.228 507 L C 1.887 178.823 176.870 0.111 0.000 1.123 507 L CA -0.140 54.741 54.840 0.068 0.000 0.890 507 L CB 0.311 42.385 42.059 0.025 0.000 1.103 507 L HN -0.038 nan 8.230 nan 0.000 0.468 508 V N 1.180 121.115 119.914 0.036 0.000 2.295 508 V HA -0.164 4.444 4.120 0.814 0.000 0.246 508 V C -0.156 175.969 176.094 0.051 0.000 1.049 508 V CA 2.068 64.377 62.300 0.015 0.000 1.024 508 V CB -1.073 30.697 31.823 -0.089 0.000 0.648 508 V HN 0.337 nan 8.190 nan 0.000 0.447 509 P HA -0.215 nan 4.420 nan 0.000 0.215 509 P C 1.548 178.964 177.300 0.193 0.000 1.157 509 P CA 1.692 64.871 63.100 0.132 0.000 0.874 509 P CB -0.176 31.601 31.700 0.130 0.000 0.790 510 Y N 0.555 120.899 120.300 0.072 0.000 2.114 510 Y HA -0.185 4.856 4.550 0.817 0.000 0.284 510 Y C 2.118 178.089 175.900 0.118 0.000 1.143 510 Y CA 1.483 59.615 58.100 0.054 0.000 1.135 510 Y CB -1.271 37.166 38.460 -0.038 0.000 0.980 510 Y HN -0.230 nan 8.280 nan 0.000 0.499 511 L N -1.114 120.067 121.223 -0.069 0.000 2.012 511 L HA -0.263 4.566 4.340 0.814 0.000 0.210 511 L C 2.401 179.233 176.870 -0.064 0.000 1.073 511 L CA 1.961 56.776 54.840 -0.041 0.000 0.748 511 L CB -1.024 41.165 42.059 0.217 0.000 0.891 511 L HN 0.315 nan 8.230 nan 0.000 0.431 512 Y N 0.221 120.297 120.300 -0.374 0.000 2.145 512 Y HA -0.290 4.743 4.550 0.804 0.000 0.286 512 Y C 2.992 178.709 175.900 -0.306 0.000 1.145 512 Y CA 1.595 59.272 58.100 -0.704 0.000 1.148 512 Y CB -0.405 37.658 38.460 -0.661 0.000 0.981 512 Y HN 0.108 nan 8.280 nan 0.000 0.507 513 S N -0.087 115.539 115.700 -0.123 0.000 2.359 513 S HA -0.239 4.719 4.470 0.814 0.000 0.222 513 S C 2.019 176.522 174.600 -0.163 0.000 1.038 513 S CA 1.802 59.961 58.200 -0.068 0.000 1.051 513 S CB -0.458 62.876 63.200 0.223 0.000 0.944 513 S HN 0.569 nan 8.310 nan 0.000 0.433 514 E N -0.147 119.965 120.200 -0.147 0.000 2.118 514 E HA -0.127 4.711 4.350 0.814 0.000 0.195 514 E C 1.701 178.282 176.600 -0.032 0.000 0.992 514 E CA 1.156 57.475 56.400 -0.134 0.000 0.804 514 E CB -0.602 28.881 29.700 -0.361 0.000 0.741 514 E HN 0.824 nan 8.360 nan 0.000 0.458 515 Y N 0.403 120.641 120.300 -0.104 0.000 2.163 515 Y HA -0.219 4.816 4.550 0.808 0.000 0.288 515 Y C 2.225 177.914 175.900 -0.352 0.000 1.136 515 Y CA 1.527 59.556 58.100 -0.118 0.000 1.147 515 Y CB -0.012 38.342 38.460 -0.177 0.000 0.987 515 Y HN -0.049 nan 8.280 nan 0.000 0.509 516 M N 0.538 119.891 119.600 -0.411 0.000 2.086 516 M HA -0.225 4.743 4.480 0.814 0.000 0.261 516 M C 1.955 177.875 176.300 -0.633 0.000 1.067 516 M CA 1.809 56.661 55.300 -0.747 0.000 1.116 516 M CB -1.133 30.580 32.600 -1.479 0.000 1.348 516 M HN 0.216 nan 8.290 nan 0.000 0.407 517 K N 0.033 120.158 120.400 -0.458 0.000 2.097 517 K HA -0.066 4.742 4.320 0.814 0.000 0.206 517 K C 2.118 178.600 176.600 -0.197 0.000 1.049 517 K CA 1.498 57.650 56.287 -0.225 0.000 0.933 517 K CB -0.288 32.167 32.500 -0.075 0.000 0.717 517 K HN 0.326 nan 8.250 nan 0.000 0.442 518 A N 1.337 124.022 122.820 -0.226 0.000 1.872 518 A HA -0.006 4.802 4.320 0.814 0.000 0.214 518 A C 2.376 179.795 177.584 -0.274 0.000 1.187 518 A CA 1.531 53.447 52.037 -0.201 0.000 0.614 518 A CB -0.702 18.196 19.000 -0.170 0.000 0.826 518 A HN 0.294 nan 8.150 nan 0.000 0.442 519 A N -0.091 122.478 122.820 -0.419 0.000 1.877 519 A HA -0.040 4.769 4.320 0.814 0.000 0.216 519 A C 2.117 179.511 177.584 -0.318 0.000 1.186 519 A CA 1.497 53.287 52.037 -0.412 0.000 0.620 519 A CB -0.691 18.008 19.000 -0.501 0.000 0.822 519 A HN 0.455 nan 8.150 nan 0.000 0.443 520 L N -0.307 120.712 121.223 -0.340 0.000 2.265 520 L HA -0.111 4.718 4.340 0.814 0.000 0.215 520 L C 1.159 177.928 176.870 -0.169 0.000 1.117 520 L CA 0.830 55.509 54.840 -0.268 0.000 0.782 520 L CB -0.346 41.561 42.059 -0.253 0.000 0.914 520 L HN 0.405 nan 8.230 nan 0.000 0.441 521 N N -0.577 118.027 118.700 -0.160 0.000 2.238 521 N HA 0.007 5.236 4.740 0.814 0.000 0.222 521 N C -0.554 174.880 175.510 -0.127 0.000 1.133 521 N CA 0.103 53.080 53.050 -0.121 0.000 0.854 521 N CB 0.498 38.928 38.487 -0.095 0.000 1.041 521 N HN 0.072 nan 8.380 nan 0.000 0.510 522 D N 1.126 121.436 120.400 -0.149 0.000 2.723 522 D HA -0.172 4.956 4.640 0.814 0.000 0.236 522 D C -0.340 175.893 176.300 -0.112 0.000 1.138 522 D CA 1.272 55.184 54.000 -0.146 0.000 0.676 522 D CB -0.772 39.938 40.800 -0.150 0.000 1.069 522 D HN 0.350 nan 8.370 nan 0.000 0.430 523 D N -1.009 119.334 120.400 -0.096 0.000 2.621 523 D HA 0.571 5.700 4.640 0.814 0.000 0.255 523 D C 0.322 176.627 176.300 0.007 0.000 1.122 523 D CA -0.502 53.487 54.000 -0.019 0.000 1.096 523 D CB 0.987 41.783 40.800 -0.008 0.000 1.282 523 D HN -0.067 nan 8.370 nan 0.000 0.619 524 M N 1.189 120.852 119.600 0.106 0.000 2.404 524 M HA 0.215 5.183 4.480 0.814 0.000 0.338 524 M C 0.042 176.376 176.300 0.055 0.000 1.150 524 M CA -0.722 54.637 55.300 0.098 0.000 1.016 524 M CB 2.270 34.970 32.600 0.165 0.000 1.672 524 M HN 0.481 nan 8.290 nan 0.000 0.448 525 Y N 1.900 122.128 120.300 -0.121 0.000 2.201 525 Y HA 0.245 5.287 4.550 0.820 0.000 0.292 525 Y C -0.191 175.551 175.900 -0.264 0.000 1.119 525 Y CA 1.040 59.004 58.100 -0.226 0.000 1.127 525 Y CB 0.570 38.868 38.460 -0.271 0.000 1.019 525 Y HN 0.437 nan 8.280 nan 0.000 0.514 526 F N 2.072 122.095 119.950 0.122 0.000 2.422 526 F HA 0.476 5.491 4.527 0.814 0.000 0.333 526 F C -0.445 175.291 175.800 -0.107 0.000 1.095 526 F CA -0.841 57.146 58.000 -0.021 0.000 1.038 526 F CB 1.454 40.487 39.000 0.055 0.000 1.156 526 F HN -0.211 nan 8.300 nan 0.000 0.483 527 K N 3.546 123.960 120.400 0.023 0.000 2.422 527 K HA 0.487 5.296 4.320 0.814 0.000 0.251 527 K C -2.873 173.551 176.600 -0.294 0.000 0.933 527 K CA -2.081 54.054 56.287 -0.255 0.000 0.798 527 K CB 2.159 34.483 32.500 -0.294 0.000 1.238 527 K HN 0.191 nan 8.250 nan 0.000 0.428 528 P HA 0.059 nan 4.420 nan 0.000 0.272 528 P C 0.406 177.614 177.300 -0.153 0.000 1.223 528 P CA -0.486 62.417 63.100 -0.327 0.000 0.784 528 P CB 0.513 31.953 31.700 -0.435 0.000 0.923 529 L N 2.231 123.464 121.223 0.017 0.000 2.081 529 L HA -0.152 4.676 4.340 0.814 0.000 0.212 529 L C 2.534 179.543 176.870 0.231 0.000 1.080 529 L CA 2.435 57.379 54.840 0.175 0.000 0.754 529 L CB -1.787 40.396 42.059 0.206 0.000 0.893 529 L HN 0.586 nan 8.230 nan 0.000 0.433 530 G N -1.616 107.311 108.800 0.211 0.000 2.450 530 G HA2 -0.290 4.158 3.960 0.814 0.000 0.220 530 G HA3 -0.290 4.158 3.960 0.814 0.000 0.220 530 G C 1.401 176.500 174.900 0.332 0.000 1.130 530 G CA 0.519 45.800 45.100 0.303 0.000 0.760 530 G HN 0.286 nan 8.290 nan 0.000 0.557 531 F N 0.303 120.172 119.950 -0.135 0.000 2.259 531 F HA 0.090 5.105 4.527 0.813 0.000 0.298 531 F C 2.625 178.257 175.800 -0.280 0.000 1.088 531 F CA -0.118 57.724 58.000 -0.265 0.000 1.358 531 F CB -0.458 38.201 39.000 -0.568 0.000 1.040 531 F HN 0.015 nan 8.300 nan 0.000 0.505 532 V N -2.406 117.444 119.914 -0.107 0.000 2.825 532 V HA -0.121 4.488 4.120 0.814 0.000 0.246 532 V C -0.069 175.746 176.094 -0.465 0.000 1.068 532 V CA 0.917 62.989 62.300 -0.379 0.000 1.088 532 V CB -0.536 30.919 31.823 -0.612 0.000 0.733 532 V HN 0.176 nan 8.190 nan 0.000 0.468 533 Y N 0.718 121.056 120.300 0.064 0.000 2.553 533 Y HA 0.371 5.409 4.550 0.814 0.000 0.369 533 Y C -1.577 174.374 175.900 0.086 0.000 0.964 533 Y CA -2.501 55.640 58.100 0.069 0.000 1.156 533 Y CB 0.269 38.773 38.460 0.072 0.000 1.218 533 Y HN 0.170 nan 8.280 nan 0.000 0.630 534 P HA -0.144 nan 4.420 nan 0.000 0.220 534 P C 0.401 177.779 177.300 0.131 0.000 1.148 534 P CA 1.506 64.692 63.100 0.143 0.000 0.803 534 P CB 0.581 32.336 31.700 0.092 0.000 0.782 535 D N -0.700 119.777 120.400 0.130 0.000 2.349 535 D HA -0.024 5.104 4.640 0.814 0.000 0.215 535 D C 0.458 176.819 176.300 0.102 0.000 1.016 535 D CA 0.685 54.746 54.000 0.102 0.000 0.870 535 D CB -0.255 40.598 40.800 0.088 0.000 0.917 535 D HN 0.193 nan 8.370 nan 0.000 0.524 536 D N 1.195 121.676 120.400 0.135 0.000 2.380 536 D HA 0.029 5.157 4.640 0.814 0.000 0.230 536 D C 1.098 177.446 176.300 0.079 0.000 1.154 536 D CA -0.313 53.756 54.000 0.114 0.000 0.859 536 D CB 0.944 41.837 40.800 0.154 0.000 1.045 536 D HN -0.290 nan 8.370 nan 0.000 0.495 537 K N 3.406 123.825 120.400 0.032 0.000 2.148 537 K HA -0.142 4.666 4.320 0.814 0.000 0.204 537 K C 1.562 178.128 176.600 -0.057 0.000 1.050 537 K CA 0.690 56.977 56.287 -0.000 0.000 0.942 537 K CB -0.105 32.387 32.500 -0.012 0.000 0.724 537 K HN 0.448 nan 8.250 nan 0.000 0.446 538 M N 1.039 120.557 119.600 -0.137 0.000 2.099 538 M HA -0.051 4.917 4.480 0.814 0.000 0.262 538 M C 2.058 178.216 176.300 -0.235 0.000 1.067 538 M CA 1.689 56.790 55.300 -0.332 0.000 1.124 538 M CB -0.456 31.687 32.600 -0.761 0.000 1.353 538 M HN 0.088 nan 8.290 nan 0.000 0.410 539 A N 0.855 123.652 122.820 -0.037 0.000 1.908 539 A HA -0.153 4.655 4.320 0.814 0.000 0.218 539 A C 2.190 179.845 177.584 0.119 0.000 1.181 539 A CA 2.073 54.196 52.037 0.142 0.000 0.627 539 A CB -1.585 17.548 19.000 0.222 0.000 0.818 539 A HN 0.825 nan 8.150 nan 0.000 0.445 540 I N -3.883 116.754 120.570 0.112 0.000 2.567 540 I HA -0.143 4.515 4.170 0.814 0.000 0.257 540 I C 1.722 177.892 176.117 0.088 0.000 1.184 540 I CA 1.320 62.705 61.300 0.142 0.000 1.451 540 I CB -0.310 37.778 38.000 0.146 0.000 1.089 540 I HN 0.092 nan 8.210 nan 0.000 0.441 541 R N 1.335 121.850 120.500 0.024 0.000 2.300 541 R HA 0.312 5.140 4.340 0.814 0.000 0.199 541 R C 0.378 176.676 176.300 -0.003 0.000 0.920 541 R CA 0.019 56.115 56.100 -0.007 0.000 1.046 541 R CB 0.057 30.332 30.300 -0.042 0.000 0.984 541 R HN 0.246 nan 8.270 nan 0.000 0.493 542 V N 2.587 122.513 119.914 0.019 0.000 2.479 542 V HA 0.003 4.611 4.120 0.814 0.000 0.281 542 V C 1.094 177.205 176.094 0.029 0.000 1.031 542 V CA 0.667 62.985 62.300 0.031 0.000 1.038 542 V CB 0.944 32.809 31.823 0.070 0.000 0.981 542 V HN 0.250 nan 8.190 nan 0.000 0.478 543 E N 2.130 122.338 120.200 0.014 0.000 2.601 543 E HA 0.051 4.890 4.350 0.814 0.000 0.219 543 E C 0.005 176.584 176.600 -0.035 0.000 0.964 543 E CA 0.162 56.556 56.400 -0.010 0.000 1.050 543 E CB 0.572 30.262 29.700 -0.017 0.000 1.068 543 E HN 0.944 nan 8.360 nan 0.000 0.496 544 D N 0.548 120.946 120.400 -0.003 0.000 2.593 544 D HA 0.062 5.190 4.640 0.814 0.000 0.241 544 D C -0.083 176.237 176.300 0.034 0.000 1.257 544 D CA -0.145 53.846 54.000 -0.016 0.000 0.828 544 D CB 0.083 40.919 40.800 0.062 0.000 1.049 544 D HN -0.045 nan 8.370 nan 0.000 0.490 545 Q N -0.058 119.744 119.800 0.003 0.000 2.377 545 Q HA 0.616 5.444 4.340 0.814 0.000 0.279 545 Q C -1.044 174.938 176.000 -0.030 0.000 1.049 545 Q CA -0.770 55.034 55.803 0.001 0.000 0.825 545 Q CB 2.953 31.695 28.738 0.007 0.000 1.401 545 Q HN 0.067 nan 8.270 nan 0.000 0.404 546 L N 1.331 122.531 121.223 -0.038 0.000 2.333 546 L HA 0.612 5.440 4.340 0.814 0.000 0.263 546 L C -0.843 176.055 176.870 0.046 0.000 1.014 546 L CA -1.275 53.549 54.840 -0.026 0.000 0.820 546 L CB 1.853 43.847 42.059 -0.109 0.000 1.352 546 L HN 0.434 nan 8.230 nan 0.000 0.421 547 M N 2.870 122.502 119.600 0.054 0.000 2.277 547 M HA 0.471 5.440 4.480 0.814 0.000 0.350 547 M C -0.669 175.669 176.300 0.063 0.000 1.180 547 M CA -0.297 55.033 55.300 0.051 0.000 1.103 547 M CB 1.417 34.013 32.600 -0.007 0.000 1.577 547 M HN 0.409 nan 8.290 nan 0.000 0.459 548 L N 1.575 122.803 121.223 0.008 0.000 2.362 548 L HA 0.676 5.504 4.340 0.814 0.000 0.275 548 L C 0.825 177.613 176.870 -0.135 0.000 0.998 548 L CA 0.119 54.852 54.840 -0.178 0.000 0.820 548 L CB 1.533 43.469 42.059 -0.206 0.000 1.270 548 L HN 0.952 nan 8.230 nan 0.000 0.415 549 G N 4.016 112.666 108.800 -0.250 0.000 2.652 549 G HA2 -0.374 4.074 3.960 0.814 0.000 0.318 549 G HA3 -0.374 4.074 3.960 0.814 0.000 0.318 549 G C 0.419 175.326 174.900 0.011 0.000 1.295 549 G CA 0.601 45.644 45.100 -0.095 0.000 0.999 549 G HN 0.767 nan 8.290 nan 0.000 0.548 550 N N 1.114 119.875 118.700 0.101 0.000 2.235 550 N HA 0.247 5.475 4.740 0.814 0.000 0.231 550 N C 0.962 176.553 175.510 0.134 0.000 1.177 550 N CA 0.605 53.710 53.050 0.092 0.000 0.874 550 N CB 1.221 39.761 38.487 0.088 0.000 1.097 550 N HN 0.550 nan 8.380 nan 0.000 0.518 551 E N 0.320 120.633 120.200 0.189 0.000 2.391 551 E HA 0.277 5.115 4.350 0.814 0.000 0.206 551 E C 0.719 177.394 176.600 0.123 0.000 0.851 551 E CA 0.279 56.777 56.400 0.165 0.000 1.059 551 E CB 1.104 30.899 29.700 0.158 0.000 1.065 551 E HN 0.388 nan 8.360 nan 0.000 0.512 552 I N -3.002 117.656 120.570 0.146 0.000 3.145 552 I HA 0.592 5.250 4.170 0.814 0.000 0.313 552 I C -1.022 175.172 176.117 0.129 0.000 1.122 552 I CA -1.406 59.977 61.300 0.138 0.000 0.987 552 I CB 2.394 40.477 38.000 0.139 0.000 1.236 552 I HN -0.123 nan 8.210 nan 0.000 0.453 553 M N 4.327 124.021 119.600 0.157 0.000 2.457 553 M HA 0.646 5.614 4.480 0.814 0.000 0.300 553 M C -1.536 174.850 176.300 0.144 0.000 1.141 553 M CA -0.793 54.584 55.300 0.128 0.000 0.901 553 M CB 2.406 35.066 32.600 0.100 0.000 1.687 553 M HN 0.754 nan 8.290 nan 0.000 0.449 554 I N 1.371 121.950 120.570 0.015 0.000 2.750 554 I HA 0.991 5.650 4.170 0.814 0.000 0.308 554 I C -0.863 175.286 176.117 0.053 0.000 1.016 554 I CA -0.769 60.482 61.300 -0.082 0.000 1.098 554 I CB 2.226 39.950 38.000 -0.460 0.000 1.279 554 I HN 0.773 nan 8.210 nan 0.000 0.454 555 A N 3.956 126.853 122.820 0.129 0.000 2.893 555 A HA 0.606 5.414 4.320 0.814 0.000 0.298 555 A C -2.927 174.776 177.584 0.199 0.000 1.227 555 A CA -0.879 51.261 52.037 0.172 0.000 0.845 555 A CB -0.202 18.931 19.000 0.222 0.000 1.430 555 A HN 0.570 nan 8.150 nan 0.000 0.493 556 P HA 0.378 nan 4.420 nan 0.000 0.274 556 P C 0.007 177.474 177.300 0.278 0.000 1.231 556 P CA -0.161 63.074 63.100 0.225 0.000 0.790 556 P CB 1.050 32.867 31.700 0.196 0.000 0.951 557 V N 3.406 123.448 119.914 0.215 0.000 2.530 557 V HA 0.050 4.658 4.120 0.814 0.000 0.282 557 V C 0.499 176.763 176.094 0.283 0.000 1.048 557 V CA 0.337 62.724 62.300 0.145 0.000 0.997 557 V CB -0.357 31.527 31.823 0.101 0.000 0.987 557 V HN 0.635 nan 8.190 nan 0.000 0.477 558 Y N 1.634 122.076 120.300 0.237 0.000 2.707 558 Y HA 0.585 5.624 4.550 0.814 0.000 0.249 558 Y C 0.240 176.407 175.900 0.446 0.000 1.166 558 Y CA -0.796 57.518 58.100 0.355 0.000 1.184 558 Y CB 0.355 38.968 38.460 0.255 0.000 1.240 558 Y HN 0.426 nan 8.280 nan 0.000 0.547 559 E N 2.069 122.311 120.200 0.069 0.000 2.176 559 E HA 0.172 5.010 4.350 0.814 0.000 0.267 559 E C -1.136 175.170 176.600 -0.491 0.000 0.893 559 E CA -0.716 55.584 56.400 -0.167 0.000 0.761 559 E CB 2.277 31.837 29.700 -0.233 0.000 1.133 559 E HN 0.488 nan 8.360 nan 0.000 0.409 560 Q N 2.510 121.570 119.800 -1.234 0.000 2.330 560 Q HA -0.027 4.801 4.340 0.814 0.000 0.279 560 Q C -0.004 175.667 176.000 -0.548 0.000 1.024 560 Q CA 0.392 55.316 55.803 -1.465 0.000 0.900 560 Q CB 0.269 27.986 28.738 -1.701 0.000 1.221 560 Q HN 0.440 nan 8.270 nan 0.000 0.396 561 N N -0.218 118.302 118.700 -0.300 0.000 2.936 561 N HA -0.216 5.013 4.740 0.814 0.000 0.236 561 N C -1.027 174.429 175.510 -0.091 0.000 0.930 561 N CA 1.111 54.080 53.050 -0.136 0.000 0.966 561 N CB -1.537 36.871 38.487 -0.131 0.000 1.090 561 N HN 0.629 nan 8.380 nan 0.000 0.592 562 A N 0.544 123.301 122.820 -0.105 0.000 2.371 562 A HA 0.497 5.305 4.320 0.814 0.000 0.257 562 A C 1.128 178.713 177.584 0.001 0.000 1.089 562 A CA -0.009 51.999 52.037 -0.049 0.000 0.794 562 A CB 0.485 19.437 19.000 -0.079 0.000 1.029 562 A HN 0.295 nan 8.150 nan 0.000 0.488 563 R N 0.967 121.487 120.500 0.033 0.000 2.543 563 R HA 0.365 5.194 4.340 0.814 0.000 0.323 563 R C 0.479 176.804 176.300 0.043 0.000 1.002 563 R CA 0.478 56.606 56.100 0.048 0.000 1.106 563 R CB 0.923 31.258 30.300 0.058 0.000 1.280 563 R HN 0.960 nan 8.270 nan 0.000 0.549 564 G N 1.001 109.788 108.800 -0.022 0.000 2.349 564 G HA2 0.355 4.803 3.960 0.814 0.000 0.294 564 G HA3 0.355 4.803 3.960 0.814 0.000 0.294 564 G C -1.767 172.843 174.900 -0.484 0.000 1.380 564 G CA -1.034 43.896 45.100 -0.283 0.000 0.811 564 G HN 0.167 nan 8.290 nan 0.000 0.519 565 R N -1.600 118.369 120.500 -0.886 0.000 2.716 565 R HA 0.641 5.470 4.340 0.814 0.000 0.271 565 R C -1.672 174.226 176.300 -0.669 0.000 1.028 565 R CA -1.113 54.627 56.100 -0.602 0.000 0.883 565 R CB 0.848 31.002 30.300 -0.244 0.000 1.250 565 R HN 0.470 nan 8.270 nan 0.000 0.465 566 Y N 0.633 120.870 120.300 -0.104 0.000 2.309 566 Y HA 0.441 5.479 4.550 0.814 0.000 0.327 566 Y C 0.621 176.513 175.900 -0.014 0.000 1.172 566 Y CA -0.136 57.969 58.100 0.009 0.000 1.280 566 Y CB 1.654 40.174 38.460 0.100 0.000 1.234 566 Y HN 0.504 nan 8.280 nan 0.000 0.512 567 V N 0.357 120.353 119.914 0.136 0.000 3.007 567 V HA 0.538 5.147 4.120 0.814 0.000 0.311 567 V C -1.809 174.336 176.094 0.085 0.000 1.120 567 V CA -1.327 60.995 62.300 0.038 0.000 0.980 567 V CB 1.973 33.701 31.823 -0.158 0.000 1.033 567 V HN 0.601 nan 8.190 nan 0.000 0.429 568 Y N 3.894 124.140 120.300 -0.089 0.000 2.328 568 Y HA 0.754 5.792 4.550 0.814 0.000 0.337 568 Y C -0.687 175.098 175.900 -0.191 0.000 0.966 568 Y CA -1.334 56.707 58.100 -0.099 0.000 1.136 568 Y CB 1.597 40.008 38.460 -0.083 0.000 1.170 568 Y HN 0.753 nan 8.280 nan 0.000 0.470 569 L N 9.417 130.165 121.223 -0.791 0.000 2.262 569 L HA 0.363 5.192 4.340 0.814 0.000 0.288 569 L C -2.013 174.241 176.870 -1.025 0.000 1.035 569 L CA -1.879 52.510 54.840 -0.752 0.000 0.820 569 L CB 1.472 43.259 42.059 -0.453 0.000 1.204 569 L HN 0.550 nan 8.230 nan 0.000 0.424 570 P HA -0.076 nan 4.420 nan 0.000 0.237 570 P C -0.172 176.770 177.300 -0.597 0.000 1.178 570 P CA 0.872 63.423 63.100 -0.914 0.000 0.766 570 P CB 0.352 31.135 31.700 -1.529 0.000 0.876 571 E N -2.128 117.819 120.200 -0.421 0.000 2.456 571 E HA 0.263 5.102 4.350 0.814 0.000 0.278 571 E C -1.030 175.497 176.600 -0.121 0.000 1.034 571 E CA -1.133 55.163 56.400 -0.174 0.000 0.846 571 E CB 0.653 30.335 29.700 -0.029 0.000 1.460 571 E HN -0.176 nan 8.360 nan 0.000 0.463 572 E N 1.236 121.407 120.200 -0.049 0.000 2.376 572 E HA 0.151 4.989 4.350 0.814 0.000 0.266 572 E C -0.817 175.828 176.600 0.074 0.000 1.009 572 E CA 0.326 56.732 56.400 0.011 0.000 0.902 572 E CB 0.569 30.291 29.700 0.037 0.000 0.972 572 E HN 0.363 nan 8.360 nan 0.000 0.439 573 M N 3.211 122.894 119.600 0.140 0.000 2.593 573 M HA 0.353 5.322 4.480 0.814 0.000 0.290 573 M C -0.840 175.631 176.300 0.285 0.000 1.244 573 M CA -0.955 54.499 55.300 0.256 0.000 0.857 573 M CB 2.472 35.192 32.600 0.201 0.000 1.738 573 M HN 0.254 nan 8.290 nan 0.000 0.461 574 K N 1.505 122.058 120.400 0.256 0.000 2.248 574 K HA 0.335 5.143 4.320 0.814 0.000 0.281 574 K C -1.070 175.620 176.600 0.150 0.000 1.054 574 K CA -0.381 55.953 56.287 0.079 0.000 0.903 574 K CB 0.963 33.361 32.500 -0.170 0.000 1.077 574 K HN 0.396 nan 8.250 nan 0.000 0.474 575 F N 5.925 125.839 119.950 -0.059 0.000 2.466 575 F HA 0.161 5.176 4.527 0.813 0.000 0.363 575 F C -0.402 175.202 175.800 -0.326 0.000 1.109 575 F CA -0.915 56.919 58.000 -0.276 0.000 1.161 575 F CB 0.087 38.979 39.000 -0.181 0.000 1.117 575 F HN 0.294 nan 8.300 nan 0.000 0.539 576 I N 6.691 126.989 120.570 -0.454 0.000 2.377 576 I HA 0.348 5.007 4.170 0.814 0.000 0.293 576 I C -0.347 175.392 176.117 -0.630 0.000 0.987 576 I CA -0.795 60.185 61.300 -0.534 0.000 1.185 576 I CB 1.728 39.517 38.000 -0.352 0.000 1.341 576 I HN 0.476 nan 8.210 nan 0.000 0.455 577 K N 5.615 125.641 120.400 -0.624 0.000 2.463 577 K HA 0.451 5.259 4.320 0.814 0.000 0.255 577 K C -1.225 175.169 176.600 -0.344 0.000 0.942 577 K CA -0.592 55.444 56.287 -0.418 0.000 0.814 577 K CB 2.056 34.288 32.500 -0.447 0.000 1.122 577 K HN 0.222 nan 8.250 nan 0.000 0.425 578 F N 3.973 123.854 119.950 -0.115 0.000 2.466 578 F HA 0.137 5.153 4.527 0.815 0.000 0.363 578 F C 0.813 176.565 175.800 -0.079 0.000 1.109 578 F CA -0.135 57.816 58.000 -0.081 0.000 1.161 578 F CB 0.393 39.365 39.000 -0.046 0.000 1.117 578 F HN 0.199 nan 8.300 nan 0.000 0.539 579 M N 5.716 125.338 119.600 0.037 0.000 2.255 579 M HA 0.193 5.161 4.480 0.814 0.000 0.336 579 M C -1.373 174.948 176.300 0.035 0.000 1.135 579 M CA -2.412 52.891 55.300 0.005 0.000 1.145 579 M CB 0.595 33.169 32.600 -0.043 0.000 1.473 579 M HN 0.197 nan 8.290 nan 0.000 0.462 580 P HA -0.144 nan 4.420 nan 0.000 0.218 580 P C 0.592 177.897 177.300 0.009 0.000 1.149 580 P CA 1.239 64.344 63.100 0.008 0.000 0.817 580 P CB -0.050 31.646 31.700 -0.006 0.000 0.785 581 D N -1.335 119.066 120.400 0.003 0.000 2.363 581 D HA 0.034 5.162 4.640 0.814 0.000 0.226 581 D C 1.371 177.674 176.300 0.005 0.000 1.020 581 D CA 0.719 54.719 54.000 -0.000 0.000 0.892 581 D CB -0.864 39.931 40.800 -0.009 0.000 0.900 581 D HN 0.248 nan 8.370 nan 0.000 0.531 582 G N 0.059 108.872 108.800 0.021 0.000 2.175 582 G HA2 -0.269 4.179 3.960 0.814 0.000 0.244 582 G HA3 -0.269 4.179 3.960 0.814 0.000 0.244 582 G C 0.396 175.317 174.900 0.035 0.000 0.982 582 G CA 0.414 45.537 45.100 0.038 0.000 0.641 582 G HN 0.797 nan 8.290 nan 0.000 0.527 583 S N -0.433 115.269 115.700 0.003 0.000 2.707 583 S HA 0.816 5.774 4.470 0.814 0.000 0.276 583 S C 0.052 174.603 174.600 -0.081 0.000 1.179 583 S CA -0.680 57.498 58.200 -0.036 0.000 0.992 583 S CB 1.891 65.059 63.200 -0.054 0.000 1.030 583 S HN 0.671 nan 8.310 nan 0.000 0.554 584 I N 2.013 122.489 120.570 -0.157 0.000 2.439 584 I HA 0.270 4.929 4.170 0.814 0.000 0.285 584 I C -0.070 175.881 176.117 -0.277 0.000 1.021 584 I CA -0.556 60.565 61.300 -0.297 0.000 1.091 584 I CB 2.058 39.809 38.000 -0.415 0.000 1.242 584 I HN 0.829 nan 8.210 nan 0.000 0.439 585 S N 5.134 120.651 115.700 -0.304 0.000 2.562 585 S HA 0.568 5.526 4.470 0.814 0.000 0.275 585 S C -0.456 173.928 174.600 -0.361 0.000 1.281 585 S CA -0.575 57.450 58.200 -0.292 0.000 1.045 585 S CB 1.414 64.439 63.200 -0.292 0.000 0.962 585 S HN 0.720 nan 8.310 nan 0.000 0.503 586 E N 0.977 121.007 120.200 -0.284 0.000 2.340 586 E HA 0.612 5.451 4.350 0.814 0.000 0.273 586 E C -1.313 175.176 176.600 -0.185 0.000 0.891 586 E CA -0.923 55.315 56.400 -0.271 0.000 0.757 586 E CB 1.817 31.375 29.700 -0.238 0.000 1.231 586 E HN 0.771 nan 8.360 nan 0.000 0.439 587 E N 2.484 122.607 120.200 -0.129 0.000 2.304 587 E HA 0.268 5.106 4.350 0.814 0.000 0.277 587 E C -1.535 175.075 176.600 0.016 0.000 0.898 587 E CA -0.874 55.508 56.400 -0.031 0.000 0.764 587 E CB 2.283 32.008 29.700 0.041 0.000 1.216 587 E HN 0.412 nan 8.360 nan 0.000 0.419 588 V N 5.483 125.398 119.914 0.001 0.000 2.508 588 V HA 0.255 4.863 4.120 0.814 0.000 0.281 588 V C 0.081 176.205 176.094 0.049 0.000 1.041 588 V CA 0.119 62.439 62.300 0.034 0.000 1.016 588 V CB 0.538 32.382 31.823 0.036 0.000 0.984 588 V HN 0.561 nan 8.190 nan 0.000 0.478 589 L N 4.827 126.075 121.223 0.042 0.000 2.386 589 L HA 0.563 5.391 4.340 0.814 0.000 0.271 589 L C 0.135 176.992 176.870 -0.022 0.000 0.993 589 L CA -0.597 54.197 54.840 -0.078 0.000 0.819 589 L CB 2.262 44.118 42.059 -0.340 0.000 1.294 589 L HN 0.570 nan 8.230 nan 0.000 0.414 590 E N 1.577 121.816 120.200 0.064 0.000 2.349 590 E HA 0.144 4.983 4.350 0.814 0.000 0.262 590 E C -0.485 176.182 176.600 0.112 0.000 1.088 590 E CA -0.717 55.745 56.400 0.103 0.000 0.899 590 E CB 1.232 31.002 29.700 0.117 0.000 1.044 590 E HN 0.326 nan 8.360 nan 0.000 0.420 591 K N 0.724 121.128 120.400 0.006 0.000 2.569 591 K HA 0.069 4.878 4.320 0.814 0.000 0.280 591 K C 0.134 176.702 176.600 -0.053 0.000 0.984 591 K CA 1.112 57.342 56.287 -0.095 0.000 1.064 591 K CB -0.031 32.415 32.500 -0.090 0.000 0.866 591 K HN 0.685 nan 8.250 nan 0.000 0.492 592 G N 1.005 109.686 108.800 -0.199 0.000 2.331 592 G HA2 -0.093 4.355 3.960 0.814 0.000 0.479 592 G HA3 -0.093 4.355 3.960 0.814 0.000 0.479 592 G C -1.225 173.665 174.900 -0.017 0.000 1.262 592 G CA -0.532 44.538 45.100 -0.051 0.000 1.029 592 G HN 0.570 nan 8.290 nan 0.000 0.487 593 V N 1.982 121.906 119.914 0.017 0.000 2.649 593 V HA 0.626 5.235 4.120 0.814 0.000 0.292 593 V C 0.200 176.143 176.094 -0.252 0.000 1.055 593 V CA -0.120 62.200 62.300 0.034 0.000 1.023 593 V CB 1.247 33.108 31.823 0.063 0.000 0.992 593 V HN 0.768 nan 8.190 nan 0.000 0.480 594 H N 2.418 121.541 119.070 0.089 0.000 2.996 594 H HA 0.307 5.351 4.556 0.814 0.000 0.368 594 H C -1.669 173.730 175.328 0.119 0.000 1.185 594 H CA -0.522 55.571 56.048 0.075 0.000 1.160 594 H CB 2.243 31.987 29.762 -0.030 0.000 1.820 594 H HN 0.656 nan 8.280 nan 0.000 0.547 595 Y N 2.731 123.097 120.300 0.110 0.000 2.328 595 Y HA 0.387 5.425 4.550 0.814 0.000 0.337 595 Y C -0.478 175.390 175.900 -0.053 0.000 1.008 595 Y CA -0.608 57.448 58.100 -0.074 0.000 1.129 595 Y CB 0.776 39.113 38.460 -0.205 0.000 1.185 595 Y HN 0.383 nan 8.280 nan 0.000 0.476 596 V N 2.043 121.627 119.914 -0.551 0.000 2.715 596 V HA 0.566 5.175 4.120 0.814 0.000 0.310 596 V C -1.023 174.878 176.094 -0.322 0.000 1.054 596 V CA -0.980 61.111 62.300 -0.349 0.000 0.928 596 V CB 1.861 33.315 31.823 -0.615 0.000 1.007 596 V HN 0.670 nan 8.190 nan 0.000 0.437 597 D N 2.992 123.406 120.400 0.025 0.000 2.295 597 D HA 0.576 5.704 4.640 0.814 0.000 0.248 597 D C -0.393 175.980 176.300 0.122 0.000 1.154 597 D CA 0.153 54.199 54.000 0.076 0.000 0.857 597 D CB 1.625 42.504 40.800 0.132 0.000 1.117 597 D HN 0.575 nan 8.370 nan 0.000 0.468 598 V N 1.994 121.944 119.914 0.059 0.000 2.445 598 V HA 0.544 5.153 4.120 0.814 0.000 0.283 598 V C 0.414 176.539 176.094 0.051 0.000 1.014 598 V CA -1.135 61.212 62.300 0.078 0.000 0.852 598 V CB 1.215 33.095 31.823 0.095 0.000 1.021 598 V HN 0.681 nan 8.190 nan 0.000 0.435 599 A N 3.647 126.491 122.820 0.039 0.000 2.406 599 A HA 0.480 5.288 4.320 0.814 0.000 0.243 599 A C 1.347 178.946 177.584 0.026 0.000 1.082 599 A CA -0.149 51.904 52.037 0.028 0.000 0.786 599 A CB 0.324 19.332 19.000 0.013 0.000 1.029 599 A HN 0.880 nan 8.150 nan 0.000 0.495 600 L N 0.267 121.501 121.223 0.018 0.000 2.129 600 L HA -0.193 4.635 4.340 0.814 0.000 0.212 600 L C 1.508 178.357 176.870 -0.036 0.000 1.087 600 L CA 1.965 56.808 54.840 0.006 0.000 0.757 600 L CB -0.296 41.758 42.059 -0.009 0.000 0.896 600 L HN 0.998 nan 8.230 nan 0.000 0.434 601 N N -1.050 117.624 118.700 -0.043 0.000 2.279 601 N HA 0.037 5.265 4.740 0.814 0.000 0.226 601 N C -0.455 175.043 175.510 -0.021 0.000 1.126 601 N CA -0.111 52.900 53.050 -0.064 0.000 0.846 601 N CB 0.132 38.572 38.487 -0.079 0.000 1.050 601 N HN 0.301 nan 8.380 nan 0.000 0.502 602 E N -0.167 120.038 120.200 0.007 0.000 2.199 602 E HA 0.443 5.281 4.350 0.814 0.000 0.269 602 E C -1.018 175.626 176.600 0.074 0.000 0.899 602 E CA -1.058 55.362 56.400 0.032 0.000 0.772 602 E CB 2.731 32.437 29.700 0.010 0.000 1.155 602 E HN -0.119 nan 8.360 nan 0.000 0.408 603 V N 4.497 124.487 119.914 0.126 0.000 2.347 603 V HA 0.331 4.939 4.120 0.814 0.000 0.280 603 V C -2.229 174.018 176.094 0.254 0.000 1.021 603 V CA -1.800 60.618 62.300 0.197 0.000 0.847 603 V CB 0.970 32.888 31.823 0.158 0.000 0.990 603 V HN 0.568 nan 8.190 nan 0.000 0.444 604 P HA 0.768 nan 4.420 nan 0.000 0.287 604 P C -1.339 176.080 177.300 0.197 0.000 1.270 604 P CA -0.660 62.536 63.100 0.159 0.000 0.844 604 P CB 1.986 33.814 31.700 0.213 0.000 1.068 605 L N -1.589 119.630 121.223 -0.007 0.000 2.869 605 L HA 0.673 5.501 4.340 0.814 0.000 0.265 605 L C -1.640 175.094 176.870 -0.227 0.000 1.011 605 L CA -0.861 53.974 54.840 -0.007 0.000 0.913 605 L CB 0.775 42.950 42.059 0.193 0.000 1.490 605 L HN 0.104 nan 8.230 nan 0.000 0.410 606 F N 1.050 121.064 119.950 0.107 0.000 2.529 606 F HA 0.753 5.768 4.527 0.813 0.000 0.320 606 F C -0.195 175.646 175.800 0.068 0.000 1.118 606 F CA -0.585 57.475 58.000 0.101 0.000 0.915 606 F CB 1.990 41.027 39.000 0.062 0.000 1.161 606 F HN 0.330 nan 8.300 nan 0.000 0.445 607 I N 3.514 124.219 120.570 0.225 0.000 2.336 607 I HA 0.394 5.052 4.170 0.814 0.000 0.292 607 I C 0.064 176.344 176.117 0.273 0.000 0.991 607 I CA -0.702 60.704 61.300 0.178 0.000 1.227 607 I CB 1.211 39.262 38.000 0.084 0.000 1.366 607 I HN 0.548 nan 8.210 nan 0.000 0.466 608 R N 3.433 124.061 120.500 0.214 0.000 2.641 608 R HA 0.172 5.000 4.340 0.814 0.000 0.269 608 R C 0.360 176.720 176.300 0.100 0.000 1.074 608 R CA -0.372 55.831 56.100 0.171 0.000 1.133 608 R CB 0.482 30.859 30.300 0.128 0.000 1.029 608 R HN 0.601 nan 8.270 nan 0.000 0.488 609 S N 0.827 116.456 115.700 -0.119 0.000 2.573 609 S HA 0.068 5.026 4.470 0.814 0.000 0.297 609 S C 1.190 175.524 174.600 -0.444 0.000 1.280 609 S CA 1.097 58.915 58.200 -0.636 0.000 1.061 609 S CB -0.025 62.948 63.200 -0.378 0.000 0.812 609 S HN 0.854 nan 8.310 nan 0.000 0.500 610 G N 3.619 112.046 108.800 -0.622 0.000 2.179 610 G HA2 -0.201 4.248 3.960 0.814 0.000 0.257 610 G HA3 -0.201 4.248 3.960 0.814 0.000 0.257 610 G C -0.065 174.838 174.900 0.004 0.000 1.010 610 G CA 0.543 45.534 45.100 -0.181 0.000 0.736 610 G HN 0.652 nan 8.290 nan 0.000 0.513 611 K N -0.836 119.624 120.400 0.100 0.000 2.395 611 K HA 0.844 5.652 4.320 0.814 0.000 0.245 611 K C 0.227 176.937 176.600 0.183 0.000 1.017 611 K CA -0.047 56.329 56.287 0.149 0.000 0.852 611 K CB 1.903 34.481 32.500 0.131 0.000 1.311 611 K HN 0.863 nan 8.250 nan 0.000 0.452 612 C N -1.023 118.345 119.300 0.113 0.000 3.239 612 C HA 0.854 5.802 4.460 0.814 0.000 0.317 612 C C -0.771 174.139 174.990 -0.133 0.000 1.310 612 C CA -1.090 57.938 59.018 0.017 0.000 1.371 612 C CB 0.318 28.084 27.740 0.043 0.000 1.714 612 C HN 0.874 nan 8.230 nan 0.000 0.473 613 I N -1.156 119.238 120.570 -0.293 0.000 2.769 613 I HA 0.849 5.508 4.170 0.814 0.000 0.298 613 I C -2.895 173.006 176.117 -0.358 0.000 1.128 613 I CA -2.414 58.521 61.300 -0.608 0.000 1.031 613 I CB 2.544 39.958 38.000 -0.976 0.000 1.235 613 I HN 0.543 nan 8.210 nan 0.000 0.423 614 P HA 0.237 nan 4.420 nan 0.000 0.280 614 P C -0.881 176.402 177.300 -0.028 0.000 1.244 614 P CA -0.230 62.816 63.100 -0.090 0.000 0.784 614 P CB 1.865 33.569 31.700 0.008 0.000 0.913 615 V N 2.927 122.853 119.914 0.020 0.000 2.487 615 V HA 0.570 5.178 4.120 0.814 0.000 0.298 615 V C 0.472 176.620 176.094 0.089 0.000 1.028 615 V CA -0.791 61.564 62.300 0.092 0.000 0.860 615 V CB 1.531 33.430 31.823 0.126 0.000 0.991 615 V HN 0.741 nan 8.190 nan 0.000 0.427 616 A N 3.840 126.720 122.820 0.100 0.000 2.264 616 A HA 0.752 5.560 4.320 0.814 0.000 0.304 616 A C 0.081 177.716 177.584 0.085 0.000 1.100 616 A CA -0.550 51.536 52.037 0.082 0.000 0.839 616 A CB 0.475 19.523 19.000 0.080 0.000 1.121 616 A HN 0.723 nan 8.150 nan 0.000 0.496 617 E N 0.410 120.649 120.200 0.065 0.000 2.390 617 E HA 0.371 5.209 4.350 0.814 0.000 0.261 617 E C 0.447 177.082 176.600 0.059 0.000 1.076 617 E CA 0.249 56.683 56.400 0.057 0.000 0.905 617 E CB 0.957 30.680 29.700 0.037 0.000 0.984 617 E HN 0.714 nan 8.360 nan 0.000 0.427 618 A N 1.471 124.320 122.820 0.049 0.000 2.511 618 A HA 0.447 5.255 4.320 0.814 0.000 0.242 618 A C -0.018 177.583 177.584 0.029 0.000 1.069 618 A CA 0.546 52.607 52.037 0.041 0.000 0.763 618 A CB 0.130 19.140 19.000 0.017 0.000 1.001 618 A HN 0.557 nan 8.150 nan 0.000 0.498 619 A N 1.632 124.473 122.820 0.034 0.000 2.527 619 A HA 0.702 5.510 4.320 0.814 0.000 0.293 619 A C 0.104 177.606 177.584 -0.136 0.000 1.117 619 A CA -0.492 51.548 52.037 0.004 0.000 0.723 619 A CB 0.900 19.939 19.000 0.064 0.000 1.313 619 A HN 0.774 nan 8.150 nan 0.000 0.411 620 E N -0.806 119.309 120.200 -0.141 0.000 2.481 620 E HA 0.191 5.029 4.350 0.814 0.000 0.198 620 E C -0.257 176.181 176.600 -0.271 0.000 1.027 620 E CA 0.467 56.706 56.400 -0.268 0.000 0.900 620 E CB 0.302 29.944 29.700 -0.097 0.000 0.993 620 E HN 0.734 nan 8.360 nan 0.000 0.482 621 C N -3.298 115.966 119.300 -0.061 0.000 3.170 621 C HA 0.356 5.304 4.460 0.814 0.000 0.319 621 C C 1.711 176.874 174.990 0.289 0.000 1.260 621 C CA -1.048 58.061 59.018 0.151 0.000 1.374 621 C CB 0.747 28.520 27.740 0.056 0.000 1.739 621 C HN -0.041 nan 8.230 nan 0.000 0.479 622 V N 1.692 121.804 119.914 0.330 0.000 2.324 622 V HA -0.246 4.362 4.120 0.814 0.000 0.250 622 V C 2.805 178.947 176.094 0.079 0.000 1.060 622 V CA 2.631 65.031 62.300 0.167 0.000 1.042 622 V CB -0.716 31.157 31.823 0.082 0.000 0.650 622 V HN 1.073 nan 8.190 nan 0.000 0.450 623 K N -0.225 120.209 120.400 0.056 0.000 2.113 623 K HA -0.245 4.563 4.320 0.814 0.000 0.208 623 K C 1.346 177.958 176.600 0.020 0.000 1.047 623 K CA 2.026 58.322 56.287 0.015 0.000 0.928 623 K CB -0.171 32.326 32.500 -0.006 0.000 0.716 623 K HN 0.445 nan 8.250 nan 0.000 0.446 624 D N 0.418 120.841 120.400 0.039 0.000 2.340 624 D HA 0.110 5.238 4.640 0.814 0.000 0.217 624 D C 0.135 176.462 176.300 0.045 0.000 1.081 624 D CA 0.074 54.093 54.000 0.032 0.000 0.842 624 D CB 0.126 40.940 40.800 0.023 0.000 0.934 624 D HN 0.222 nan 8.370 nan 0.000 0.511 625 I N 1.443 122.052 120.570 0.065 0.000 2.598 625 I HA -0.084 4.574 4.170 0.814 0.000 0.284 625 I C 0.646 176.790 176.117 0.045 0.000 1.140 625 I CA 0.040 61.382 61.300 0.070 0.000 1.420 625 I CB 0.453 38.504 38.000 0.085 0.000 1.387 625 I HN -0.253 nan 8.210 nan 0.000 0.553 626 D N 5.245 125.670 120.400 0.043 0.000 2.393 626 D HA 0.069 5.197 4.640 0.814 0.000 0.232 626 D C 0.846 177.170 176.300 0.040 0.000 1.192 626 D CA -0.331 53.689 54.000 0.034 0.000 0.882 626 D CB 0.735 41.552 40.800 0.029 0.000 1.038 626 D HN 0.595 nan 8.370 nan 0.000 0.499 627 T N 0.457 115.034 114.554 0.038 0.000 3.223 627 T HA 0.154 4.993 4.350 0.814 0.000 0.259 627 T C 1.089 175.814 174.700 0.042 0.000 1.015 627 T CA -0.371 61.757 62.100 0.047 0.000 0.908 627 T CB 0.280 69.178 68.868 0.051 0.000 1.054 627 T HN 0.215 nan 8.240 nan 0.000 0.567 628 E N 2.472 122.691 120.200 0.033 0.000 2.005 628 E HA 0.027 4.865 4.350 0.814 0.000 0.191 628 E C 0.662 177.280 176.600 0.031 0.000 0.987 628 E CA 0.770 57.187 56.400 0.027 0.000 0.814 628 E CB 0.022 29.734 29.700 0.020 0.000 0.772 628 E HN 0.479 nan 8.360 nan 0.000 0.453 629 N N 0.903 119.620 118.700 0.029 0.000 2.914 629 N HA 0.185 5.413 4.740 0.814 0.000 0.304 629 N C -0.570 174.959 175.510 0.031 0.000 1.727 629 N CA -0.038 53.029 53.050 0.029 0.000 0.986 629 N CB 0.591 39.091 38.487 0.021 0.000 1.297 629 N HN 0.106 nan 8.380 nan 0.000 0.490 630 M N 0.822 120.447 119.600 0.041 0.000 2.248 630 M HA -0.009 4.960 4.480 0.814 0.000 0.345 630 M C 0.970 177.289 176.300 0.031 0.000 1.243 630 M CA 0.559 55.884 55.300 0.043 0.000 1.090 630 M CB 0.606 33.241 32.600 0.057 0.000 1.683 630 M HN 0.183 nan 8.290 nan 0.000 0.450 631 Q N 3.162 122.976 119.800 0.023 0.000 2.361 631 Q HA 0.248 5.076 4.340 0.814 0.000 0.276 631 Q C -1.497 174.499 176.000 -0.007 0.000 1.022 631 Q CA 0.096 55.902 55.803 0.005 0.000 0.898 631 Q CB 0.641 29.378 28.738 -0.003 0.000 1.246 631 Q HN 0.623 nan 8.270 nan 0.000 0.410 632 L N 4.641 125.854 121.223 -0.016 0.000 2.309 632 L HA 0.467 5.296 4.340 0.814 0.000 0.282 632 L C -0.394 176.439 176.870 -0.062 0.000 1.036 632 L CA -0.780 54.041 54.840 -0.032 0.000 0.806 632 L CB 1.281 43.339 42.059 -0.002 0.000 1.220 632 L HN 0.595 nan 8.230 nan 0.000 0.429 633 I N 1.866 122.378 120.570 -0.096 0.000 2.569 633 I HA 0.807 5.465 4.170 0.814 0.000 0.296 633 I C 0.562 176.604 176.117 -0.124 0.000 1.028 633 I CA -0.216 61.007 61.300 -0.129 0.000 1.082 633 I CB 1.243 39.142 38.000 -0.168 0.000 1.264 633 I HN 0.815 nan 8.210 nan 0.000 0.429 634 G N 5.290 114.000 108.800 -0.151 0.000 2.250 634 G HA2 -0.105 4.343 3.960 0.814 0.000 0.196 634 G HA3 -0.105 4.343 3.960 0.814 0.000 0.196 634 G C -1.615 173.162 174.900 -0.205 0.000 1.308 634 G CA -0.772 44.238 45.100 -0.150 0.000 1.207 634 G HN 0.330 nan 8.290 nan 0.000 0.505 635 Y N 2.729 123.023 120.300 -0.010 0.000 2.327 635 Y HA 0.497 5.535 4.550 0.813 0.000 0.336 635 Y C 1.186 177.089 175.900 0.006 0.000 1.035 635 Y CA -0.299 57.802 58.100 0.002 0.000 1.165 635 Y CB 1.032 39.500 38.460 0.014 0.000 1.181 635 Y HN 0.440 nan 8.280 nan 0.000 0.494 636 E N 1.547 121.818 120.200 0.118 0.000 2.437 636 E HA 0.137 4.975 4.350 0.814 0.000 0.263 636 E C 0.970 177.630 176.600 0.099 0.000 1.030 636 E CA 1.091 57.538 56.400 0.079 0.000 0.934 636 E CB 0.407 30.137 29.700 0.049 0.000 0.943 636 E HN 1.001 nan 8.360 nan 0.000 0.444 637 G N 2.141 110.984 108.800 0.072 0.000 2.268 637 G HA2 -0.348 4.100 3.960 0.814 0.000 0.240 637 G HA3 -0.348 4.100 3.960 0.814 0.000 0.240 637 G C 0.447 175.389 174.900 0.069 0.000 1.010 637 G CA 0.352 45.490 45.100 0.064 0.000 0.618 637 G HN 0.721 nan 8.290 nan 0.000 0.516 638 S N 0.199 115.954 115.700 0.092 0.000 2.614 638 S HA 0.726 5.684 4.470 0.814 0.000 0.265 638 S C 0.294 174.953 174.600 0.098 0.000 1.303 638 S CA 0.786 59.043 58.200 0.095 0.000 1.000 638 S CB 1.824 65.099 63.200 0.125 0.000 0.935 638 S HN 1.989 nan 8.310 nan 0.000 0.551 639 S N 0.237 116.000 115.700 0.106 0.000 2.632 639 S HA 0.672 5.631 4.470 0.814 0.000 0.289 639 S C -1.435 173.279 174.600 0.191 0.000 1.115 639 S CA -0.836 57.439 58.200 0.124 0.000 0.889 639 S CB 1.187 64.436 63.200 0.082 0.000 1.116 639 S HN 0.966 nan 8.310 nan 0.000 0.486 640 Y N 0.600 120.942 120.300 0.070 0.000 2.406 640 Y HA 0.527 5.565 4.550 0.812 0.000 0.340 640 Y C -0.689 175.275 175.900 0.107 0.000 0.975 640 Y CA -0.414 57.742 58.100 0.094 0.000 1.056 640 Y CB 2.074 40.593 38.460 0.099 0.000 1.210 640 Y HN 0.793 nan 8.280 nan 0.000 0.448 641 T N 8.062 122.274 114.554 -0.569 0.000 2.739 641 T HA 0.250 5.088 4.350 0.814 0.000 0.298 641 T C -0.690 173.648 174.700 -0.604 0.000 0.929 641 T CA -0.208 61.663 62.100 -0.383 0.000 1.014 641 T CB -0.208 68.565 68.868 -0.159 0.000 0.914 641 T HN 0.530 nan 8.240 nan 0.000 0.509 642 L N 5.318 126.437 121.223 -0.173 0.000 2.305 642 L HA 0.464 5.292 4.340 0.814 0.000 0.281 642 L C -0.707 176.174 176.870 0.018 0.000 1.085 642 L CA -0.665 54.222 54.840 0.078 0.000 0.813 642 L CB 0.316 42.532 42.059 0.261 0.000 1.157 642 L HN 0.614 nan 8.230 nan 0.000 0.436 643 Y N 4.730 124.958 120.300 -0.119 0.000 2.330 643 Y HA 0.535 5.572 4.550 0.811 0.000 0.336 643 Y C -0.469 175.350 175.900 -0.136 0.000 1.036 643 Y CA -0.208 57.701 58.100 -0.317 0.000 1.125 643 Y CB 0.880 39.076 38.460 -0.440 0.000 1.194 643 Y HN 0.677 nan 8.280 nan 0.000 0.469 644 E N 5.456 125.351 120.200 -0.508 0.000 2.291 644 E HA 0.179 5.017 4.350 0.814 0.000 0.276 644 E C -1.631 174.785 176.600 -0.306 0.000 0.896 644 E CA -0.737 55.570 56.400 -0.156 0.000 0.774 644 E CB 1.630 31.287 29.700 -0.071 0.000 1.227 644 E HN 0.811 nan 8.360 nan 0.000 0.413 645 D N 0.775 121.177 120.400 0.004 0.000 2.846 645 D HA 0.100 5.228 4.640 0.814 0.000 0.273 645 D C 0.578 176.912 176.300 0.057 0.000 1.145 645 D CA -0.438 53.571 54.000 0.015 0.000 1.091 645 D CB -0.040 40.841 40.800 0.135 0.000 1.364 645 D HN 0.353 nan 8.370 nan 0.000 0.613 646 D N -1.626 118.811 120.400 0.061 0.000 2.347 646 D HA 0.116 5.244 4.640 0.814 0.000 0.213 646 D C 1.587 177.880 176.300 -0.012 0.000 0.985 646 D CA 0.877 54.895 54.000 0.029 0.000 0.879 646 D CB -0.444 40.398 40.800 0.069 0.000 0.919 646 D HN 0.853 nan 8.370 nan 0.000 0.526 647 G N 0.442 109.261 108.800 0.031 0.000 2.166 647 G HA2 -0.304 4.144 3.960 0.814 0.000 0.260 647 G HA3 -0.304 4.144 3.960 0.814 0.000 0.260 647 G C 0.875 175.722 174.900 -0.088 0.000 0.986 647 G CA 0.753 45.829 45.100 -0.040 0.000 0.683 647 G HN 0.496 nan 8.290 nan 0.000 0.527 648 I N -1.726 118.762 120.570 -0.138 0.000 4.197 648 I HA 0.251 4.909 4.170 0.814 0.000 0.307 648 I C 1.413 177.212 176.117 -0.531 0.000 1.236 648 I CA 0.023 61.105 61.300 -0.364 0.000 1.321 648 I CB 0.178 37.864 38.000 -0.523 0.000 1.309 648 I HN 0.224 nan 8.210 nan 0.000 0.450 649 H N 0.367 119.393 119.070 -0.073 0.000 3.247 649 H HA 0.391 5.434 4.556 0.811 0.000 0.262 649 H C -0.184 175.029 175.328 -0.193 0.000 1.646 649 H CA -0.655 55.322 56.048 -0.119 0.000 1.600 649 H CB 0.739 30.433 29.762 -0.113 0.000 1.635 649 H HN -0.201 nan 8.280 nan 0.000 0.915 650 K N 0.368 120.647 120.400 -0.202 0.000 2.758 650 K HA 0.099 4.907 4.320 0.814 0.000 0.208 650 K C -0.655 175.423 176.600 -0.870 0.000 1.091 650 K CA -0.028 55.756 56.287 -0.838 0.000 1.059 650 K CB 0.540 32.686 32.500 -0.590 0.000 0.801 650 K HN 0.366 nan 8.250 nan 0.000 0.470 651 D N 0.467 120.637 120.400 -0.383 0.000 2.688 651 D HA 0.005 5.133 4.640 0.814 0.000 0.228 651 D C 0.339 176.621 176.300 -0.031 0.000 1.116 651 D CA -0.108 53.785 54.000 -0.179 0.000 1.023 651 D CB 0.088 40.841 40.800 -0.078 0.000 1.100 651 D HN 0.126 nan 8.370 nan 0.000 0.487 652 Y N -0.133 120.230 120.300 0.106 0.000 2.314 652 Y HA 0.014 5.040 4.550 0.794 0.000 0.293 652 Y C 1.649 177.665 175.900 0.193 0.000 1.129 652 Y CA 0.471 58.676 58.100 0.175 0.000 1.201 652 Y CB -0.103 38.429 38.460 0.121 0.000 0.999 652 Y HN 0.203 nan 8.280 nan 0.000 0.541 653 D N -0.305 120.255 120.400 0.267 0.000 2.340 653 D HA 0.010 5.138 4.640 0.814 0.000 0.220 653 D C 0.159 176.555 176.300 0.160 0.000 1.039 653 D CA 0.239 54.367 54.000 0.213 0.000 0.866 653 D CB -0.087 40.795 40.800 0.137 0.000 0.913 653 D HN 0.109 nan 8.370 nan 0.000 0.523 654 K N 1.094 121.568 120.400 0.124 0.000 2.451 654 K HA -0.010 4.798 4.320 0.814 0.000 0.280 654 K C 1.167 177.845 176.600 0.131 0.000 1.020 654 K CA -0.014 56.320 56.287 0.078 0.000 1.008 654 K CB 0.912 33.425 32.500 0.021 0.000 0.917 654 K HN -0.077 nan 8.250 nan 0.000 0.478 655 K N 2.062 122.521 120.400 0.100 0.000 2.280 655 K HA -0.138 4.670 4.320 0.814 0.000 0.202 655 K C 1.105 177.776 176.600 0.118 0.000 1.047 655 K CA 1.269 57.624 56.287 0.114 0.000 0.942 655 K CB -0.004 32.522 32.500 0.043 0.000 0.739 655 K HN 0.478 nan 8.250 nan 0.000 0.457 656 E N 0.798 121.028 120.200 0.049 0.000 2.409 656 E HA -0.045 4.793 4.350 0.814 0.000 0.198 656 E C 0.695 177.251 176.600 -0.073 0.000 1.024 656 E CA 0.390 56.790 56.400 -0.001 0.000 0.861 656 E CB -0.155 29.534 29.700 -0.019 0.000 0.788 656 E HN 0.400 nan 8.360 nan 0.000 0.521 657 N N -0.123 118.497 118.700 -0.133 0.000 2.457 657 N HA -0.060 5.168 4.740 0.814 0.000 0.180 657 N C -0.335 174.780 175.510 -0.658 0.000 1.050 657 N CA 0.558 53.291 53.050 -0.528 0.000 0.906 657 N CB 0.117 38.092 38.487 -0.853 0.000 0.968 657 N HN 0.180 nan 8.380 nan 0.000 0.445 658 Y N 0.180 120.378 120.300 -0.171 0.000 2.328 658 Y HA 0.424 5.462 4.550 0.814 0.000 0.337 658 Y C 0.421 176.284 175.900 -0.061 0.000 0.966 658 Y CA -0.901 57.142 58.100 -0.095 0.000 1.136 658 Y CB 1.430 39.863 38.460 -0.046 0.000 1.170 658 Y HN -0.296 nan 8.280 nan 0.000 0.470 659 R N 2.249 122.791 120.500 0.069 0.000 2.513 659 R HA 0.682 5.511 4.340 0.814 0.000 0.301 659 R C -1.942 174.395 176.300 0.060 0.000 0.968 659 R CA -0.735 55.398 56.100 0.055 0.000 0.872 659 R CB 1.376 31.697 30.300 0.036 0.000 1.177 659 R HN 0.557 nan 8.270 nan 0.000 0.444 660 V N 6.686 126.632 119.914 0.053 0.000 2.368 660 V HA 0.251 4.859 4.120 0.814 0.000 0.266 660 V C 0.189 176.326 176.094 0.072 0.000 1.045 660 V CA -0.411 61.918 62.300 0.048 0.000 0.899 660 V CB 0.925 32.768 31.823 0.033 0.000 1.006 660 V HN 0.617 nan 8.190 nan 0.000 0.470 661 L N 5.377 126.668 121.223 0.112 0.000 2.334 661 L HA 0.648 5.476 4.340 0.814 0.000 0.277 661 L C 0.426 177.367 176.870 0.119 0.000 1.075 661 L CA -0.233 54.684 54.840 0.129 0.000 0.804 661 L CB 1.762 43.936 42.059 0.191 0.000 1.174 661 L HN 0.724 nan 8.230 nan 0.000 0.438 662 T N -0.692 113.914 114.554 0.087 0.000 2.841 662 T HA 0.359 5.198 4.350 0.814 0.000 0.285 662 T C -0.375 174.363 174.700 0.063 0.000 0.991 662 T CA -0.964 61.181 62.100 0.076 0.000 0.966 662 T CB 2.246 71.149 68.868 0.057 0.000 0.962 662 T HN 0.516 nan 8.240 nan 0.000 0.438 663 K N 0.000 120.438 120.400 0.063 0.000 2.780 663 K HA 0.000 4.808 4.320 0.814 0.000 0.191 663 K CA 0.000 56.313 56.287 0.043 0.000 0.838 663 K CB 0.000 32.523 32.500 0.039 0.000 1.064 663 K HN 0.000 nan 8.250 nan 0.000 0.543