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 3m6v_1_B DATA FIRST_RESID 2 DATA SEQUENCE LPKAFLSRMA ELLGEEFPAF LKALTEGKRT YGLRVNTLKL PPEAFQRISP DATA SEQUENCE WPLRPIPWCQ EGFYYPEEAR PGPHPFFYAG LYYIQEPSAQ AVGVLLDPKP DATA SEQUENCE GERVLDLAAA PGGKTTHLAA RMGGKGLLLA NEVDGKRVRG LLENVERWGA DATA SEQUENCE PLAVTQAPPR ALAEAFGTYF HRVLLDAPCS GEGMFRKDRE AARHWGPSAP DATA SEQUENCE KRMAEVQKAL LAQASRLLGP GGVLVYSTCT FAPEENEGVV AHFLKAHPEF DATA SEQUENCE RLEDARLHPL FAPGVPEWGE GNPELLKTAR LWPHRLEGEG HFLARFRKEG DATA SEQUENCE GAWSTPRLER PSPLSQEALR AFRGFLEEAG LTLEGPVLDR AGHLYLLPEG DATA SEQUENCE LPTLLGLKAP APGLYLGKVQ KGRFLPARAL ALAFGATLPW PEGLPRLALT DATA SEQUENCE PEDPRALAFA TGEGVAWEGE DHPLALVVLK TAAGEFPLDF GKAKRGVLRP DATA SEQUENCE VGVGLRSH 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.774 176.870 -0.160 0.000 1.165 2 L CA 0.000 54.703 54.840 -0.228 0.000 0.813 2 L CB 0.000 42.049 42.059 -0.016 0.000 0.961 3 P HA 0.145 nan 4.420 nan 0.000 0.267 3 P C 0.128 177.453 177.300 0.042 0.000 1.205 3 P CA -0.539 62.512 63.100 -0.081 0.000 0.765 3 P CB 0.601 32.230 31.700 -0.119 0.000 0.828 4 K N 2.158 122.600 120.400 0.070 0.000 2.148 4 K HA -0.114 4.473 4.320 0.445 0.000 0.204 4 K C 1.571 178.229 176.600 0.098 0.000 1.050 4 K CA 1.410 57.743 56.287 0.077 0.000 0.942 4 K CB -0.710 31.825 32.500 0.057 0.000 0.724 4 K HN 0.344 nan 8.250 nan 0.000 0.446 5 A N 1.387 124.312 122.820 0.175 0.000 1.969 5 A HA -0.089 4.498 4.320 0.445 0.000 0.218 5 A C 1.941 179.669 177.584 0.240 0.000 1.169 5 A CA 0.921 53.104 52.037 0.243 0.000 0.635 5 A CB -0.685 18.551 19.000 0.394 0.000 0.810 5 A HN 0.483 nan 8.150 nan 0.000 0.445 6 F N 0.765 120.638 119.950 -0.129 0.000 2.113 6 F HA -0.115 4.679 4.527 0.445 0.000 0.297 6 F C 1.849 177.619 175.800 -0.050 0.000 1.103 6 F CA 1.606 59.398 58.000 -0.348 0.000 1.248 6 F CB -0.320 38.160 39.000 -0.867 0.000 0.999 6 F HN 0.131 nan 8.300 nan 0.000 0.475 7 L N 0.220 121.392 121.223 -0.084 0.000 2.042 7 L HA -0.243 4.364 4.340 0.445 0.000 0.210 7 L C 2.747 179.461 176.870 -0.260 0.000 1.076 7 L CA 1.678 56.468 54.840 -0.083 0.000 0.749 7 L CB -1.201 40.947 42.059 0.149 0.000 0.893 7 L HN 0.345 nan 8.230 nan 0.000 0.432 8 S N -0.117 115.487 115.700 -0.161 0.000 2.382 8 S HA -0.246 4.491 4.470 0.445 0.000 0.228 8 S C 1.998 176.448 174.600 -0.251 0.000 1.027 8 S CA 1.106 59.185 58.200 -0.202 0.000 0.991 8 S CB -0.395 62.755 63.200 -0.082 0.000 0.823 8 S HN 0.276 nan 8.310 nan 0.000 0.469 9 R N 1.367 121.759 120.500 -0.181 0.000 2.073 9 R HA 0.084 4.691 4.340 0.445 0.000 0.234 9 R C 2.263 178.381 176.300 -0.304 0.000 1.134 9 R CA 1.873 57.870 56.100 -0.172 0.000 0.952 9 R CB -0.665 29.615 30.300 -0.033 0.000 0.850 9 R HN 0.341 nan 8.270 nan 0.000 0.433 10 M N -0.046 119.296 119.600 -0.430 0.000 2.254 10 M HA 0.092 4.839 4.480 0.445 0.000 0.265 10 M C 2.206 178.180 176.300 -0.543 0.000 1.066 10 M CA 1.539 56.589 55.300 -0.418 0.000 1.123 10 M CB -1.185 31.204 32.600 -0.351 0.000 1.388 10 M HN 0.328 nan 8.290 nan 0.000 0.425 11 A N 0.106 122.281 122.820 -1.074 0.000 1.902 11 A HA -0.198 4.389 4.320 0.445 0.000 0.217 11 A C 2.211 179.503 177.584 -0.487 0.000 1.181 11 A CA 1.930 53.216 52.037 -1.252 0.000 0.623 11 A CB -0.723 17.526 19.000 -1.251 0.000 0.818 11 A HN 0.588 nan 8.150 nan 0.000 0.443 12 E N -0.239 119.751 120.200 -0.350 0.000 2.107 12 E HA -0.118 4.499 4.350 0.445 0.000 0.191 12 E C 1.930 178.462 176.600 -0.113 0.000 0.982 12 E CA 0.907 57.195 56.400 -0.187 0.000 0.809 12 E CB -0.145 29.465 29.700 -0.151 0.000 0.756 12 E HN 0.642 nan 8.360 nan 0.000 0.459 13 L N 0.328 121.465 121.223 -0.143 0.000 2.072 13 L HA -0.094 4.513 4.340 0.445 0.000 0.205 13 L C 2.420 179.368 176.870 0.130 0.000 1.079 13 L CA 0.710 55.537 54.840 -0.022 0.000 0.752 13 L CB -0.091 41.828 42.059 -0.232 0.000 0.906 13 L HN 0.197 nan 8.230 nan 0.000 0.436 14 L N -1.362 119.850 121.223 -0.019 0.000 2.477 14 L HA 0.193 4.800 4.340 0.445 0.000 0.220 14 L C 1.679 178.542 176.870 -0.011 0.000 1.106 14 L CA 0.379 55.200 54.840 -0.033 0.000 0.851 14 L CB -0.484 41.475 42.059 -0.167 0.000 0.994 14 L HN 0.424 nan 8.230 nan 0.000 0.462 15 G N 1.209 110.002 108.800 -0.012 0.000 2.660 15 G HA2 -0.413 3.814 3.960 0.445 0.000 0.321 15 G HA3 -0.413 3.814 3.960 0.445 0.000 0.321 15 G C 0.732 175.650 174.900 0.031 0.000 1.246 15 G CA 0.701 45.800 45.100 -0.001 0.000 1.000 15 G HN 0.401 nan 8.290 nan 0.000 0.550 16 E N 0.903 121.110 120.200 0.013 0.000 2.409 16 E HA -0.021 4.596 4.350 0.445 0.000 0.198 16 E C 2.160 178.762 176.600 0.004 0.000 1.024 16 E CA 0.893 57.301 56.400 0.015 0.000 0.861 16 E CB 0.046 29.748 29.700 0.002 0.000 0.788 16 E HN 0.653 nan 8.360 nan 0.000 0.521 17 E N -0.084 120.105 120.200 -0.019 0.000 2.442 17 E HA -0.087 4.530 4.350 0.445 0.000 0.195 17 E C 1.427 177.958 176.600 -0.116 0.000 1.030 17 E CA -0.145 56.211 56.400 -0.073 0.000 0.869 17 E CB 0.079 29.706 29.700 -0.122 0.000 0.857 17 E HN 0.162 nan 8.360 nan 0.000 0.505 18 F N 2.239 122.086 119.950 -0.172 0.000 2.102 18 F HA -0.043 4.752 4.527 0.445 0.000 0.298 18 F C -1.244 174.501 175.800 -0.092 0.000 1.105 18 F CA 1.052 58.964 58.000 -0.146 0.000 1.239 18 F CB -1.014 37.919 39.000 -0.112 0.000 0.991 18 F HN 0.079 nan 8.300 nan 0.000 0.474 19 P HA -0.171 nan 4.420 nan 0.000 0.216 19 P C 1.575 178.681 177.300 -0.322 0.000 1.150 19 P CA 2.426 65.328 63.100 -0.330 0.000 0.837 19 P CB -0.379 31.252 31.700 -0.115 0.000 0.786 20 A N -1.201 121.479 122.820 -0.234 0.000 1.930 20 A HA -0.193 4.394 4.320 0.445 0.000 0.217 20 A C 2.103 179.512 177.584 -0.291 0.000 1.175 20 A CA 1.292 53.222 52.037 -0.178 0.000 0.627 20 A CB -1.791 17.182 19.000 -0.045 0.000 0.815 20 A HN 0.158 nan 8.150 nan 0.000 0.443 21 F N 0.236 119.736 119.950 -0.751 0.000 2.102 21 F HA -0.134 4.660 4.527 0.445 0.000 0.298 21 F C 1.814 177.328 175.800 -0.476 0.000 1.105 21 F CA 1.733 59.237 58.000 -0.826 0.000 1.239 21 F CB -0.349 38.081 39.000 -0.949 0.000 0.991 21 F HN 0.200 nan 8.300 nan 0.000 0.474 22 L N 1.101 121.905 121.223 -0.698 0.000 2.046 22 L HA -0.168 4.439 4.340 0.445 0.000 0.208 22 L C 2.425 179.051 176.870 -0.406 0.000 1.077 22 L CA 1.962 56.412 54.840 -0.649 0.000 0.747 22 L CB -1.142 40.452 42.059 -0.774 0.000 0.896 22 L HN 0.222 nan 8.230 nan 0.000 0.432 23 K N -0.832 119.373 120.400 -0.325 0.000 2.057 23 K HA -0.169 4.418 4.320 0.445 0.000 0.207 23 K C 1.998 178.504 176.600 -0.157 0.000 1.049 23 K CA 1.270 57.442 56.287 -0.192 0.000 0.931 23 K CB -0.197 32.220 32.500 -0.138 0.000 0.714 23 K HN 0.450 nan 8.250 nan 0.000 0.440 24 A N 1.372 124.088 122.820 -0.173 0.000 1.883 24 A HA -0.157 4.430 4.320 0.445 0.000 0.217 24 A C 2.106 179.612 177.584 -0.131 0.000 1.186 24 A CA 1.403 53.380 52.037 -0.100 0.000 0.624 24 A CB -0.635 18.356 19.000 -0.015 0.000 0.822 24 A HN 0.313 nan 8.150 nan 0.000 0.444 25 L N -0.378 120.691 121.223 -0.256 0.000 2.093 25 L HA -0.140 4.467 4.340 0.445 0.000 0.208 25 L C 2.924 179.736 176.870 -0.096 0.000 1.085 25 L CA 1.856 56.589 54.840 -0.179 0.000 0.755 25 L CB -0.776 41.130 42.059 -0.254 0.000 0.904 25 L HN 0.686 nan 8.230 nan 0.000 0.435 26 T N -4.380 110.105 114.554 -0.115 0.000 3.031 26 T HA 0.005 4.622 4.350 0.445 0.000 0.254 26 T C 1.497 176.167 174.700 -0.051 0.000 1.060 26 T CA 0.499 62.556 62.100 -0.073 0.000 1.135 26 T CB 0.149 68.968 68.868 -0.082 0.000 0.896 26 T HN 0.315 nan 8.240 nan 0.000 0.472 27 E N 0.626 120.792 120.200 -0.056 0.000 2.508 27 E HA 0.302 4.919 4.350 0.445 0.000 0.217 27 E C 1.170 177.757 176.600 -0.022 0.000 0.896 27 E CA -0.288 56.092 56.400 -0.035 0.000 1.118 27 E CB 0.521 30.198 29.700 -0.038 0.000 1.133 27 E HN 0.553 nan 8.360 nan 0.000 0.526 28 G N 1.850 110.634 108.800 -0.026 0.000 2.554 28 G HA2 0.010 4.237 3.960 0.445 0.000 0.238 28 G HA3 0.010 4.237 3.960 0.445 0.000 0.238 28 G C -0.226 174.678 174.900 0.005 0.000 1.259 28 G CA -0.274 44.822 45.100 -0.007 0.000 0.843 28 G HN -0.046 nan 8.290 nan 0.000 0.582 29 K N 1.344 121.752 120.400 0.013 0.000 2.350 29 K HA 0.116 4.703 4.320 0.445 0.000 0.279 29 K C 0.675 177.288 176.600 0.023 0.000 1.027 29 K CA -0.045 56.258 56.287 0.028 0.000 0.969 29 K CB 1.045 33.562 32.500 0.028 0.000 0.954 29 K HN 0.457 nan 8.250 nan 0.000 0.474 30 R N 0.968 121.490 120.500 0.036 0.000 2.679 30 R HA 0.012 4.619 4.340 0.445 0.000 0.268 30 R C 0.445 176.662 176.300 -0.139 0.000 1.044 30 R CA 0.306 56.366 56.100 -0.067 0.000 1.105 30 R CB 0.273 30.535 30.300 -0.064 0.000 0.989 30 R HN 0.673 nan 8.270 nan 0.000 0.447 31 T N -0.749 113.610 114.554 -0.326 0.000 2.888 31 T HA 0.515 5.132 4.350 0.445 0.000 0.284 31 T C -0.915 173.423 174.700 -0.603 0.000 1.017 31 T CA -0.769 61.194 62.100 -0.229 0.000 1.022 31 T CB 0.939 69.816 68.868 0.015 0.000 1.013 31 T HN 0.435 nan 8.240 nan 0.000 0.465 32 Y N -0.068 120.154 120.300 -0.131 0.000 2.354 32 Y HA 0.653 5.470 4.550 0.445 0.000 0.330 32 Y C 0.473 176.113 175.900 -0.433 0.000 1.011 32 Y CA -0.866 56.958 58.100 -0.461 0.000 1.099 32 Y CB 2.621 40.463 38.460 -1.030 0.000 1.179 32 Y HN 1.204 nan 8.280 nan 0.000 0.442 33 G N 2.690 111.441 108.800 -0.082 0.000 2.571 33 G HA2 0.710 4.937 3.960 0.445 0.000 0.304 33 G HA3 0.710 4.937 3.960 0.445 0.000 0.304 33 G C -1.859 173.220 174.900 0.299 0.000 1.314 33 G CA -0.956 44.176 45.100 0.054 0.000 0.975 33 G HN 0.542 nan 8.290 nan 0.000 0.485 34 L N -1.205 120.180 121.223 0.271 0.000 2.354 34 L HA 0.903 5.510 4.340 0.445 0.000 0.264 34 L C -0.340 176.598 176.870 0.113 0.000 1.008 34 L CA -1.420 53.527 54.840 0.178 0.000 0.819 34 L CB 2.258 44.285 42.059 -0.054 0.000 1.339 34 L HN 0.547 nan 8.230 nan 0.000 0.420 35 R N 1.318 121.895 120.500 0.130 0.000 2.476 35 R HA 0.708 5.315 4.340 0.445 0.000 0.305 35 R C -1.435 174.955 176.300 0.149 0.000 0.965 35 R CA -0.710 55.423 56.100 0.055 0.000 0.867 35 R CB 1.968 32.225 30.300 -0.072 0.000 1.176 35 R HN 0.705 nan 8.270 nan 0.000 0.447 36 V N 3.839 123.809 119.914 0.093 0.000 2.740 36 V HA -0.027 4.360 4.120 0.445 0.000 0.303 36 V C 0.638 176.769 176.094 0.062 0.000 1.054 36 V CA -0.188 62.134 62.300 0.036 0.000 1.106 36 V CB 0.904 32.778 31.823 0.085 0.000 0.957 36 V HN 0.663 nan 8.190 nan 0.000 0.486 37 N N 3.358 121.978 118.700 -0.133 0.000 2.466 37 N HA 0.014 5.021 4.740 0.445 0.000 0.263 37 N C 1.320 176.679 175.510 -0.252 0.000 1.178 37 N CA 0.443 53.240 53.050 -0.421 0.000 0.983 37 N CB 0.938 38.722 38.487 -1.172 0.000 1.331 37 N HN 0.864 nan 8.380 nan 0.000 0.500 38 T N 0.522 115.037 114.554 -0.065 0.000 3.051 38 T HA -0.049 4.568 4.350 0.445 0.000 0.269 38 T C 1.892 176.567 174.700 -0.041 0.000 1.127 38 T CA 0.541 62.632 62.100 -0.015 0.000 1.107 38 T CB -0.133 68.765 68.868 0.051 0.000 0.898 38 T HN 0.408 nan 8.240 nan 0.000 0.517 39 L N -0.245 120.905 121.223 -0.121 0.000 2.201 39 L HA 0.047 4.654 4.340 0.445 0.000 0.212 39 L C 2.792 179.605 176.870 -0.096 0.000 1.105 39 L CA 1.273 56.045 54.840 -0.113 0.000 0.775 39 L CB -0.346 41.596 42.059 -0.195 0.000 0.913 39 L HN 0.264 nan 8.230 nan 0.000 0.440 40 K N -0.284 120.026 120.400 -0.151 0.000 2.287 40 K HA 0.259 4.846 4.320 0.445 0.000 0.199 40 K C 0.205 176.884 176.600 0.131 0.000 1.061 40 K CA 0.390 56.661 56.287 -0.026 0.000 0.976 40 K CB 0.618 32.996 32.500 -0.204 0.000 0.898 40 K HN 0.136 nan 8.250 nan 0.000 0.492 41 L N -1.795 119.442 121.223 0.023 0.000 2.582 41 L HA 0.580 5.187 4.340 0.445 0.000 0.257 41 L C -3.285 173.631 176.870 0.076 0.000 0.974 41 L CA -2.434 52.471 54.840 0.109 0.000 0.851 41 L CB 2.105 44.260 42.059 0.160 0.000 1.424 41 L HN -0.240 nan 8.230 nan 0.000 0.412 42 P HA 0.347 nan 4.420 nan 0.000 0.274 42 P C -2.336 175.060 177.300 0.160 0.000 1.237 42 P CA -1.426 61.739 63.100 0.108 0.000 0.793 42 P CB 0.153 31.913 31.700 0.099 0.000 0.977 43 P HA -0.166 nan 4.420 nan 0.000 0.216 43 P C 1.072 178.587 177.300 0.359 0.000 1.150 43 P CA 1.532 64.841 63.100 0.347 0.000 0.837 43 P CB -0.007 31.865 31.700 0.287 0.000 0.786 44 E N -0.282 120.058 120.200 0.232 0.000 2.110 44 E HA -0.128 4.489 4.350 0.445 0.000 0.193 44 E C 2.126 178.782 176.600 0.094 0.000 0.988 44 E CA 1.478 57.973 56.400 0.159 0.000 0.804 44 E CB -1.110 28.658 29.700 0.113 0.000 0.745 44 E HN 0.157 nan 8.360 nan 0.000 0.458 45 A N 0.282 123.166 122.820 0.108 0.000 1.898 45 A HA -0.157 4.430 4.320 0.445 0.000 0.216 45 A C 2.073 179.679 177.584 0.038 0.000 1.181 45 A CA 1.185 53.267 52.037 0.077 0.000 0.620 45 A CB -0.769 18.301 19.000 0.117 0.000 0.819 45 A HN 0.338 nan 8.150 nan 0.000 0.442 46 F N 0.589 120.518 119.950 -0.035 0.000 2.134 46 F HA -0.181 4.612 4.527 0.444 0.000 0.299 46 F C 2.426 178.129 175.800 -0.162 0.000 1.097 46 F CA 2.124 60.055 58.000 -0.114 0.000 1.264 46 F CB -0.430 38.528 39.000 -0.070 0.000 1.001 46 F HN 0.386 nan 8.300 nan 0.000 0.479 47 Q N 0.259 119.927 119.800 -0.220 0.000 2.135 47 Q HA -0.222 4.385 4.340 0.445 0.000 0.204 47 Q C 2.315 178.117 176.000 -0.330 0.000 0.981 47 Q CA 1.839 57.413 55.803 -0.381 0.000 0.856 47 Q CB -0.146 28.432 28.738 -0.267 0.000 0.902 47 Q HN 0.396 nan 8.270 nan 0.000 0.425 48 R N 0.079 120.447 120.500 -0.221 0.000 2.096 48 R HA -0.100 4.507 4.340 0.445 0.000 0.235 48 R C 2.175 178.345 176.300 -0.217 0.000 1.127 48 R CA 1.615 57.615 56.100 -0.166 0.000 0.968 48 R CB -0.309 29.940 30.300 -0.085 0.000 0.861 48 R HN 0.539 nan 8.270 nan 0.000 0.440 49 I N -2.405 117.965 120.570 -0.334 0.000 3.956 49 I HA 0.180 4.617 4.170 0.445 0.000 0.333 49 I C 0.527 176.392 176.117 -0.421 0.000 1.302 49 I CA -0.333 60.793 61.300 -0.290 0.000 1.122 49 I CB 0.576 38.449 38.000 -0.213 0.000 1.013 49 I HN -0.197 nan 8.210 nan 0.000 0.405 50 S N 2.757 118.026 115.700 -0.718 0.000 2.537 50 S HA 0.226 4.964 4.470 0.445 0.000 0.286 50 S C -1.197 173.055 174.600 -0.580 0.000 1.299 50 S CA -0.826 56.900 58.200 -0.790 0.000 1.067 50 S CB 0.585 63.386 63.200 -0.665 0.000 0.864 50 S HN 0.148 nan 8.310 nan 0.000 0.494 51 P HA 0.081 nan 4.420 nan 0.000 0.230 51 P C -0.547 176.250 177.300 -0.837 0.000 1.158 51 P CA 0.692 63.196 63.100 -0.992 0.000 0.769 51 P CB 0.165 30.954 31.700 -1.518 0.000 0.807 52 W N -0.843 120.413 121.300 -0.073 0.000 2.844 52 W HA 0.373 5.300 4.660 0.446 0.000 0.340 52 W C -2.668 173.822 176.519 -0.048 0.000 1.093 52 W CA -2.774 54.547 57.345 -0.039 0.000 1.212 52 W CB 0.043 29.497 29.460 -0.010 0.000 1.422 52 W HN -0.275 nan 8.180 nan 0.000 0.515 53 P HA 0.169 nan 4.420 nan 0.000 0.268 53 P C -0.411 176.982 177.300 0.155 0.000 1.204 53 P CA 0.403 63.572 63.100 0.114 0.000 0.768 53 P CB 0.722 32.484 31.700 0.104 0.000 0.842 54 L N 3.449 124.726 121.223 0.091 0.000 2.323 54 L HA 0.627 5.234 4.340 0.445 0.000 0.265 54 L C 0.535 177.540 176.870 0.226 0.000 1.012 54 L CA -0.917 54.008 54.840 0.141 0.000 0.820 54 L CB 2.215 44.191 42.059 -0.138 0.000 1.334 54 L HN 0.230 nan 8.230 nan 0.000 0.427 55 R N 1.559 122.283 120.500 0.374 0.000 2.621 55 R HA 0.438 5.045 4.340 0.445 0.000 0.292 55 R C -2.674 173.882 176.300 0.427 0.000 0.969 55 R CA -1.823 54.500 56.100 0.372 0.000 0.887 55 R CB 2.247 32.732 30.300 0.309 0.000 1.180 55 R HN 0.300 nan 8.270 nan 0.000 0.450 56 P HA 0.047 nan 4.420 nan 0.000 0.268 56 P C -0.329 176.840 177.300 -0.217 0.000 1.204 56 P CA 0.210 63.262 63.100 -0.081 0.000 0.768 56 P CB 0.723 32.384 31.700 -0.065 0.000 0.842 57 I N 5.821 126.033 120.570 -0.597 0.000 2.352 57 I HA 0.090 4.527 4.170 0.445 0.000 0.290 57 I C -1.196 174.452 176.117 -0.782 0.000 1.036 57 I CA -2.148 58.593 61.300 -0.930 0.000 1.336 57 I CB 1.095 38.373 38.000 -1.203 0.000 1.407 57 I HN 0.215 nan 8.210 nan 0.000 0.497 58 P HA -0.151 nan 4.420 nan 0.000 0.218 58 P C 0.766 177.927 177.300 -0.232 0.000 1.148 58 P CA 1.488 64.361 63.100 -0.379 0.000 0.822 58 P CB 0.012 31.487 31.700 -0.375 0.000 0.784 59 W N -3.122 118.094 121.300 -0.140 0.000 3.220 59 W HA 0.435 5.362 4.660 0.445 0.000 0.328 59 W C -0.232 176.276 176.519 -0.019 0.000 1.205 59 W CA -0.545 56.762 57.345 -0.063 0.000 1.773 59 W CB -0.816 28.652 29.460 0.012 0.000 1.086 59 W HN -0.131 nan 8.180 nan 0.000 0.622 60 C N 3.495 122.656 119.300 -0.232 0.000 2.547 60 C HA 0.267 4.994 4.460 0.445 0.000 0.327 60 C C 1.546 176.406 174.990 -0.217 0.000 1.076 60 C CA -0.496 58.449 59.018 -0.121 0.000 1.390 60 C CB 0.637 28.304 27.740 -0.121 0.000 1.918 60 C HN 0.294 nan 8.230 nan 0.000 0.438 61 Q N 1.884 121.615 119.800 -0.115 0.000 2.297 61 Q HA -0.109 4.498 4.340 0.445 0.000 0.208 61 Q C 1.749 177.619 176.000 -0.216 0.000 0.981 61 Q CA 1.508 57.224 55.803 -0.145 0.000 0.876 61 Q CB 0.084 28.791 28.738 -0.053 0.000 0.921 61 Q HN 0.947 nan 8.270 nan 0.000 0.446 62 E N -0.530 119.560 120.200 -0.183 0.000 2.476 62 E HA 0.220 4.837 4.350 0.445 0.000 0.196 62 E C 0.322 176.745 176.600 -0.295 0.000 1.029 62 E CA 0.012 56.308 56.400 -0.173 0.000 0.896 62 E CB 0.285 29.967 29.700 -0.030 0.000 1.012 62 E HN 0.053 nan 8.360 nan 0.000 0.475 63 G N 0.646 109.162 108.800 -0.473 0.000 2.400 63 G HA2 0.549 4.776 3.960 0.445 0.000 0.333 63 G HA3 0.549 4.776 3.960 0.445 0.000 0.333 63 G C -1.367 173.080 174.900 -0.756 0.000 1.143 63 G CA -0.558 44.266 45.100 -0.460 0.000 0.914 63 G HN 0.031 nan 8.290 nan 0.000 0.480 64 F N -0.604 119.245 119.950 -0.168 0.000 2.578 64 F HA 0.425 5.219 4.527 0.445 0.000 0.311 64 F C -0.683 175.022 175.800 -0.157 0.000 1.094 64 F CA -0.848 57.075 58.000 -0.128 0.000 0.923 64 F CB 1.975 41.015 39.000 0.067 0.000 1.230 64 F HN 0.357 nan 8.300 nan 0.000 0.450 65 Y N 2.032 122.440 120.300 0.180 0.000 2.359 65 Y HA 0.306 5.123 4.550 0.445 0.000 0.330 65 Y C -0.103 175.899 175.900 0.171 0.000 1.143 65 Y CA -0.552 57.598 58.100 0.083 0.000 1.318 65 Y CB 0.136 38.610 38.460 0.024 0.000 1.234 65 Y HN 0.470 nan 8.280 nan 0.000 0.522 66 Y N 1.173 121.609 120.300 0.226 0.000 2.562 66 Y HA 0.795 5.613 4.550 0.446 0.000 0.343 66 Y C -3.105 172.801 175.900 0.010 0.000 1.025 66 Y CA -4.135 54.013 58.100 0.079 0.000 1.082 66 Y CB 0.522 38.923 38.460 -0.099 0.000 1.264 66 Y HN 0.328 nan 8.280 nan 0.000 0.478 67 P HA 0.064 nan 4.420 nan 0.000 0.268 67 P C 0.509 177.675 177.300 -0.224 0.000 1.204 67 P CA 0.057 63.139 63.100 -0.030 0.000 0.768 67 P CB 1.013 32.733 31.700 0.033 0.000 0.842 68 E N 2.985 122.932 120.200 -0.422 0.000 2.147 68 E HA -0.295 4.322 4.350 0.445 0.000 0.199 68 E C 1.328 177.663 176.600 -0.440 0.000 1.005 68 E CA 1.616 57.529 56.400 -0.813 0.000 0.810 68 E CB 0.109 29.499 29.700 -0.516 0.000 0.736 68 E HN 0.644 nan 8.360 nan 0.000 0.460 69 E N 0.144 120.215 120.200 -0.216 0.000 2.427 69 E HA 0.051 4.668 4.350 0.445 0.000 0.196 69 E C 0.460 176.990 176.600 -0.116 0.000 1.028 69 E CA 0.368 56.694 56.400 -0.123 0.000 0.864 69 E CB 0.047 29.718 29.700 -0.049 0.000 0.813 69 E HN 0.226 nan 8.360 nan 0.000 0.514 70 A N 1.628 124.336 122.820 -0.187 0.000 2.406 70 A HA 0.253 4.840 4.320 0.445 0.000 0.243 70 A C 0.036 177.395 177.584 -0.375 0.000 1.082 70 A CA -0.357 51.454 52.037 -0.377 0.000 0.786 70 A CB 0.316 18.749 19.000 -0.945 0.000 1.029 70 A HN 0.290 nan 8.150 nan 0.000 0.495 71 R N 1.784 122.094 120.500 -0.318 0.000 2.868 71 R HA 0.218 4.825 4.340 0.445 0.000 0.289 71 R C -2.181 174.015 176.300 -0.173 0.000 1.443 71 R CA -1.332 54.667 56.100 -0.169 0.000 1.651 71 R CB 0.874 31.189 30.300 0.025 0.000 1.242 71 R HN 0.579 nan 8.270 nan 0.000 0.621 72 P HA -0.061 nan 4.420 nan 0.000 0.233 72 P C 1.172 178.517 177.300 0.075 0.000 1.167 72 P CA 0.807 63.673 63.100 -0.389 0.000 0.770 72 P CB 0.461 31.513 31.700 -1.079 0.000 0.837 73 G N 1.717 110.438 108.800 -0.130 0.000 2.464 73 G HA2 -0.103 4.124 3.960 0.445 0.000 0.214 73 G HA3 -0.103 4.124 3.960 0.445 0.000 0.214 73 G C -1.340 173.425 174.900 -0.225 0.000 1.218 73 G CA 0.582 45.458 45.100 -0.373 0.000 0.794 73 G HN 0.297 nan 8.290 nan 0.000 0.542 74 P HA 0.197 nan 4.420 nan 0.000 0.220 74 P C -0.811 176.670 177.300 0.301 0.000 1.806 74 P CA 0.180 63.387 63.100 0.178 0.000 0.976 74 P CB -0.128 31.634 31.700 0.104 0.000 1.952 75 H N 1.071 120.329 119.070 0.313 0.000 2.894 75 H HA 0.264 5.087 4.556 0.445 0.000 0.367 75 H C -2.206 173.350 175.328 0.380 0.000 1.144 75 H CA -2.075 54.149 56.048 0.293 0.000 1.180 75 H CB 2.576 32.560 29.762 0.370 0.000 1.758 75 H HN -0.169 nan 8.280 nan 0.000 0.541 76 P HA -0.139 nan 4.420 nan 0.000 0.217 76 P C 1.412 179.024 177.300 0.521 0.000 1.148 76 P CA 1.006 64.265 63.100 0.265 0.000 0.828 76 P CB 0.019 31.724 31.700 0.009 0.000 0.783 77 F N -1.617 118.717 119.950 0.639 0.000 2.171 77 F HA -0.116 4.676 4.527 0.443 0.000 0.300 77 F C 2.247 177.966 175.800 -0.136 0.000 1.090 77 F CA 0.325 58.506 58.000 0.301 0.000 1.293 77 F CB -1.841 37.443 39.000 0.474 0.000 1.013 77 F HN -0.098 nan 8.300 nan 0.000 0.486 78 F N -0.240 119.709 119.950 -0.002 0.000 2.102 78 F HA -0.273 4.521 4.527 0.445 0.000 0.298 78 F C 2.215 177.816 175.800 -0.332 0.000 1.105 78 F CA 1.693 59.455 58.000 -0.398 0.000 1.239 78 F CB -0.850 37.970 39.000 -0.300 0.000 0.991 78 F HN -0.079 nan 8.300 nan 0.000 0.474 79 Y N -0.168 120.222 120.300 0.151 0.000 2.439 79 Y HA 0.091 4.908 4.550 0.445 0.000 0.292 79 Y C 2.342 178.232 175.900 -0.016 0.000 1.130 79 Y CA 0.725 58.865 58.100 0.066 0.000 1.254 79 Y CB -0.878 37.692 38.460 0.184 0.000 1.000 79 Y HN 0.152 nan 8.280 nan 0.000 0.554 80 A N -0.271 122.618 122.820 0.114 0.000 2.238 80 A HA 0.356 4.943 4.320 0.445 0.000 0.208 80 A C 1.971 179.462 177.584 -0.154 0.000 1.177 80 A CA 0.750 52.816 52.037 0.048 0.000 0.804 80 A CB -1.058 18.027 19.000 0.141 0.000 0.823 80 A HN 0.542 nan 8.150 nan 0.000 0.482 81 G N -0.649 107.973 108.800 -0.296 0.000 2.198 81 G HA2 -0.247 3.981 3.960 0.445 0.000 0.257 81 G HA3 -0.247 3.981 3.960 0.445 0.000 0.257 81 G C 0.614 175.198 174.900 -0.527 0.000 1.042 81 G CA 0.463 45.336 45.100 -0.378 0.000 0.791 81 G HN 0.460 nan 8.290 nan 0.000 0.502 82 L N -1.525 119.353 121.223 -0.575 0.000 2.395 82 L HA 0.244 4.851 4.340 0.445 0.000 0.218 82 L C 1.226 177.810 176.870 -0.478 0.000 1.130 82 L CA 0.966 55.449 54.840 -0.595 0.000 0.826 82 L CB -0.341 41.386 42.059 -0.554 0.000 0.941 82 L HN 0.639 nan 8.230 nan 0.000 0.451 83 Y N -4.239 115.920 120.300 -0.236 0.000 2.638 83 Y HA 0.521 5.339 4.550 0.446 0.000 0.335 83 Y C -1.217 174.814 175.900 0.219 0.000 1.155 83 Y CA -2.260 55.802 58.100 -0.064 0.000 1.046 83 Y CB 0.663 38.950 38.460 -0.287 0.000 1.303 83 Y HN -0.146 nan 8.280 nan 0.000 0.460 84 Y N 2.085 122.629 120.300 0.406 0.000 2.377 84 Y HA 0.666 5.483 4.550 0.445 0.000 0.339 84 Y C -0.565 175.487 175.900 0.255 0.000 1.011 84 Y CA -1.328 56.902 58.100 0.218 0.000 1.093 84 Y CB 1.250 39.644 38.460 -0.110 0.000 1.201 84 Y HN 0.688 nan 8.280 nan 0.000 0.455 85 I N 6.420 127.022 120.570 0.053 0.000 2.329 85 I HA 0.146 4.583 4.170 0.445 0.000 0.295 85 I C -0.440 175.831 176.117 0.256 0.000 1.109 85 I CA 0.319 61.723 61.300 0.172 0.000 1.297 85 I CB 0.323 38.391 38.000 0.114 0.000 1.433 85 I HN 0.531 nan 8.210 nan 0.000 0.509 86 Q N 6.122 126.105 119.800 0.305 0.000 2.321 86 Q HA 0.193 4.800 4.340 0.445 0.000 0.270 86 Q C -0.373 175.701 176.000 0.124 0.000 1.032 86 Q CA -0.760 55.191 55.803 0.248 0.000 0.784 86 Q CB 1.889 30.732 28.738 0.176 0.000 1.264 86 Q HN 0.465 nan 8.270 nan 0.000 0.448 87 E N 4.569 124.823 120.200 0.091 0.000 2.502 87 E HA -0.040 4.577 4.350 0.445 0.000 0.261 87 E C -1.916 174.715 176.600 0.051 0.000 0.974 87 E CA -1.026 55.401 56.400 0.046 0.000 0.936 87 E CB 1.094 30.816 29.700 0.036 0.000 0.926 87 E HN 0.496 nan 8.360 nan 0.000 0.459 88 P HA -0.190 nan 4.420 nan 0.000 0.215 88 P C 1.425 178.952 177.300 0.377 0.000 1.157 88 P CA 2.289 65.469 63.100 0.134 0.000 0.874 88 P CB 0.005 31.836 31.700 0.219 0.000 0.790 89 S N -0.551 115.318 115.700 0.282 0.000 2.402 89 S HA -0.099 4.638 4.470 0.445 0.000 0.229 89 S C 2.098 176.527 174.600 -0.285 0.000 1.021 89 S CA 1.125 59.354 58.200 0.048 0.000 0.974 89 S CB -1.472 61.701 63.200 -0.044 0.000 0.800 89 S HN 0.116 nan 8.310 nan 0.000 0.484 90 A N 1.645 124.258 122.820 -0.345 0.000 2.019 90 A HA -0.089 4.498 4.320 0.445 0.000 0.219 90 A C 2.281 179.732 177.584 -0.222 0.000 1.164 90 A CA 1.322 53.005 52.037 -0.590 0.000 0.644 90 A CB -0.737 18.126 19.000 -0.227 0.000 0.805 90 A HN 0.691 nan 8.150 nan 0.000 0.449 91 Q N -0.665 119.139 119.800 0.006 0.000 2.291 91 Q HA -0.065 4.542 4.340 0.445 0.000 0.206 91 Q C 2.227 178.390 176.000 0.271 0.000 0.976 91 Q CA 0.907 56.788 55.803 0.131 0.000 0.875 91 Q CB -0.363 28.412 28.738 0.063 0.000 0.927 91 Q HN 0.715 nan 8.270 nan 0.000 0.450 92 A N 0.414 123.362 122.820 0.214 0.000 2.019 92 A HA -0.112 4.475 4.320 0.445 0.000 0.219 92 A C 2.261 179.863 177.584 0.030 0.000 1.164 92 A CA 0.976 53.122 52.037 0.183 0.000 0.644 92 A CB -0.385 18.553 19.000 -0.103 0.000 0.805 92 A HN 0.197 nan 8.150 nan 0.000 0.449 93 V N -0.219 119.652 119.914 -0.072 0.000 2.270 93 V HA -0.166 4.221 4.120 0.445 0.000 0.245 93 V C 2.839 178.857 176.094 -0.127 0.000 1.043 93 V CA 1.997 64.235 62.300 -0.103 0.000 1.014 93 V CB -1.433 30.321 31.823 -0.115 0.000 0.645 93 V HN 0.578 nan 8.190 nan 0.000 0.447 94 G N -0.242 108.431 108.800 -0.211 0.000 2.422 94 G HA2 -0.190 4.037 3.960 0.445 0.000 0.218 94 G HA3 -0.190 4.037 3.960 0.445 0.000 0.218 94 G C 1.657 176.279 174.900 -0.462 0.000 1.146 94 G CA 1.206 45.980 45.100 -0.544 0.000 0.769 94 G HN 0.379 nan 8.290 nan 0.000 0.547 95 V N 0.698 120.446 119.914 -0.277 0.000 2.343 95 V HA -0.134 4.253 4.120 0.445 0.000 0.247 95 V C 2.661 178.731 176.094 -0.042 0.000 1.051 95 V CA 1.601 63.852 62.300 -0.082 0.000 1.036 95 V CB -0.464 31.416 31.823 0.094 0.000 0.654 95 V HN 0.358 nan 8.190 nan 0.000 0.451 96 L N -0.315 120.892 121.223 -0.026 0.000 2.046 96 L HA -0.114 4.493 4.340 0.445 0.000 0.208 96 L C 2.171 179.025 176.870 -0.027 0.000 1.077 96 L CA 1.817 56.649 54.840 -0.013 0.000 0.747 96 L CB -0.662 41.385 42.059 -0.020 0.000 0.896 96 L HN 0.273 nan 8.230 nan 0.000 0.432 97 L N 0.206 121.397 121.223 -0.053 0.000 2.046 97 L HA -0.129 4.478 4.340 0.445 0.000 0.208 97 L C 0.705 177.563 176.870 -0.020 0.000 1.077 97 L CA 1.808 56.629 54.840 -0.031 0.000 0.747 97 L CB -0.589 41.436 42.059 -0.057 0.000 0.896 97 L HN 0.605 nan 8.230 nan 0.000 0.432 98 D N -0.982 119.386 120.400 -0.053 0.000 2.705 98 D HA -0.127 4.780 4.640 0.445 0.000 0.240 98 D C -2.185 174.107 176.300 -0.014 0.000 1.137 98 D CA 0.564 54.544 54.000 -0.032 0.000 0.677 98 D CB -0.641 40.155 40.800 -0.006 0.000 1.049 98 D HN 0.296 nan 8.370 nan 0.000 0.427 99 P HA 0.161 nan 4.420 nan 0.000 0.271 99 P C -0.264 177.034 177.300 -0.003 0.000 1.218 99 P CA -0.083 63.019 63.100 0.002 0.000 0.780 99 P CB 0.819 32.520 31.700 0.002 0.000 0.901 100 K N 2.545 122.937 120.400 -0.014 0.000 2.267 100 K HA 0.507 5.094 4.320 0.445 0.000 0.246 100 K C -2.557 174.023 176.600 -0.034 0.000 0.954 100 K CA -2.717 53.554 56.287 -0.026 0.000 0.824 100 K CB 0.280 32.752 32.500 -0.047 0.000 1.167 100 K HN 0.221 nan 8.250 nan 0.000 0.431 101 P HA -0.007 nan 4.420 nan 0.000 0.262 101 P C 0.692 177.958 177.300 -0.056 0.000 1.182 101 P CA 1.092 64.180 63.100 -0.020 0.000 0.761 101 P CB 0.304 31.999 31.700 -0.008 0.000 0.795 102 G N 1.782 110.549 108.800 -0.055 0.000 2.217 102 G HA2 -0.223 4.004 3.960 0.445 0.000 0.246 102 G HA3 -0.223 4.004 3.960 0.445 0.000 0.246 102 G C 0.205 175.014 174.900 -0.152 0.000 0.990 102 G CA -0.258 44.790 45.100 -0.088 0.000 0.627 102 G HN 0.534 nan 8.290 nan 0.000 0.522 103 E N 0.186 120.278 120.200 -0.179 0.000 2.369 103 E HA 0.526 5.143 4.350 0.445 0.000 0.255 103 E C 0.431 177.044 176.600 0.020 0.000 1.172 103 E CA -0.486 55.753 56.400 -0.269 0.000 0.932 103 E CB 0.514 30.065 29.700 -0.249 0.000 1.040 103 E HN 0.294 nan 8.360 nan 0.000 0.454 104 R N 0.762 121.444 120.500 0.304 0.000 2.265 104 R HA 0.401 5.008 4.340 0.445 0.000 0.328 104 R C -1.136 175.432 176.300 0.448 0.000 0.969 104 R CA -0.457 55.767 56.100 0.208 0.000 0.832 104 R CB 1.178 31.348 30.300 -0.218 0.000 1.139 104 R HN 0.168 nan 8.270 nan 0.000 0.457 105 V N 4.505 124.672 119.914 0.421 0.000 2.656 105 V HA 0.436 4.823 4.120 0.445 0.000 0.307 105 V C -1.049 175.133 176.094 0.145 0.000 1.051 105 V CA -0.964 61.513 62.300 0.294 0.000 0.893 105 V CB 2.198 34.106 31.823 0.143 0.000 0.999 105 V HN 0.492 nan 8.190 nan 0.000 0.426 106 L N 3.464 124.616 121.223 -0.118 0.000 2.376 106 L HA 0.712 5.319 4.340 0.445 0.000 0.275 106 L C -1.015 175.747 176.870 -0.180 0.000 0.987 106 L CA -0.028 54.611 54.840 -0.335 0.000 0.828 106 L CB 1.799 43.291 42.059 -0.946 0.000 1.249 106 L HN 0.695 nan 8.230 nan 0.000 0.409 107 D N 4.448 124.776 120.400 -0.120 0.000 2.427 107 D HA 0.250 5.157 4.640 0.445 0.000 0.226 107 D C 0.717 176.963 176.300 -0.089 0.000 1.076 107 D CA -0.077 53.867 54.000 -0.093 0.000 0.849 107 D CB 1.047 41.798 40.800 -0.080 0.000 1.052 107 D HN 0.683 nan 8.370 nan 0.000 0.515 108 L N 2.233 123.403 121.223 -0.088 0.000 2.240 108 L HA 0.169 4.776 4.340 0.445 0.000 0.211 108 L C 0.954 177.788 176.870 -0.061 0.000 1.106 108 L CA 0.477 55.270 54.840 -0.077 0.000 0.793 108 L CB 0.105 42.119 42.059 -0.076 0.000 0.927 108 L HN 0.430 nan 8.230 nan 0.000 0.446 109 A N -1.040 121.744 122.820 -0.061 0.000 2.943 109 A HA 0.648 5.235 4.320 0.445 0.000 0.327 109 A C 0.541 178.088 177.584 -0.060 0.000 1.141 109 A CA 0.022 52.025 52.037 -0.056 0.000 0.773 109 A CB 0.690 19.657 19.000 -0.055 0.000 1.143 109 A HN 0.143 nan 8.150 nan 0.000 0.463 110 A N 1.001 123.786 122.820 -0.057 0.000 2.044 110 A HA 0.615 5.202 4.320 0.445 0.000 0.213 110 A C 1.426 178.973 177.584 -0.060 0.000 1.169 110 A CA 1.005 53.002 52.037 -0.066 0.000 0.724 110 A CB -0.201 18.761 19.000 -0.064 0.000 0.840 110 A HN 1.615 nan 8.150 nan 0.000 0.463 111 A N 0.828 123.623 122.820 -0.042 0.000 2.407 111 A HA 0.502 5.089 4.320 0.445 0.000 0.248 111 A C -1.098 176.478 177.584 -0.015 0.000 1.082 111 A CA -0.780 51.242 52.037 -0.025 0.000 0.785 111 A CB 0.040 19.028 19.000 -0.019 0.000 1.020 111 A HN 0.248 nan 8.150 nan 0.000 0.489 112 P HA 0.191 nan 4.420 nan 0.000 0.255 112 P C 0.633 177.964 177.300 0.051 0.000 1.248 112 P CA 1.050 64.178 63.100 0.046 0.000 0.807 112 P CB 0.577 32.331 31.700 0.089 0.000 1.150 113 G N -0.917 107.867 108.800 -0.027 0.000 2.155 113 G HA2 -0.126 4.101 3.960 0.445 0.000 0.130 113 G HA3 -0.126 4.101 3.960 0.445 0.000 0.130 113 G C 0.996 175.602 174.900 -0.490 0.000 1.027 113 G CA -0.159 44.844 45.100 -0.162 0.000 0.705 113 G HN 0.412 nan 8.290 nan 0.000 0.496 114 G N 1.049 109.552 108.800 -0.494 0.000 2.459 114 G HA2 -0.120 4.107 3.960 0.445 0.000 0.217 114 G HA3 -0.120 4.107 3.960 0.445 0.000 0.217 114 G C 1.764 176.300 174.900 -0.607 0.000 1.183 114 G CA 1.687 46.257 45.100 -0.884 0.000 0.776 114 G HN 0.464 nan 8.290 nan 0.000 0.552 115 K N 0.442 120.653 120.400 -0.316 0.000 2.103 115 K HA -0.003 4.584 4.320 0.445 0.000 0.204 115 K C 2.637 179.103 176.600 -0.223 0.000 1.052 115 K CA 1.265 57.432 56.287 -0.199 0.000 0.945 115 K CB -1.239 31.182 32.500 -0.132 0.000 0.722 115 K HN 0.261 nan 8.250 nan 0.000 0.443 116 T N 1.723 116.121 114.554 -0.260 0.000 2.665 116 T HA -0.158 4.459 4.350 0.445 0.000 0.268 116 T C 2.083 176.584 174.700 -0.332 0.000 1.035 116 T CA 2.499 64.460 62.100 -0.233 0.000 1.151 116 T CB -0.571 68.177 68.868 -0.200 0.000 0.862 116 T HN 0.550 nan 8.240 nan 0.000 0.438 117 T N -0.364 113.817 114.554 -0.621 0.000 2.867 117 T HA -0.117 4.500 4.350 0.445 0.000 0.268 117 T C 1.732 176.070 174.700 -0.603 0.000 1.057 117 T CA 1.423 62.870 62.100 -1.089 0.000 1.136 117 T CB -0.664 67.004 68.868 -2.000 0.000 0.874 117 T HN 0.624 nan 8.240 nan 0.000 0.466 118 H N 1.060 119.837 119.070 -0.488 0.000 2.321 118 H HA 0.056 4.879 4.556 0.445 0.000 0.300 118 H C 2.180 177.461 175.328 -0.078 0.000 1.087 118 H CA 1.258 57.185 56.048 -0.202 0.000 1.319 118 H CB -0.148 29.497 29.762 -0.195 0.000 1.379 118 H HN 0.260 nan 8.280 nan 0.000 0.501 119 L N 0.064 121.284 121.223 -0.005 0.000 2.046 119 L HA -0.169 4.438 4.340 0.445 0.000 0.208 119 L C 3.003 179.905 176.870 0.054 0.000 1.077 119 L CA 0.903 55.732 54.840 -0.020 0.000 0.747 119 L CB -0.725 41.307 42.059 -0.046 0.000 0.896 119 L HN 0.378 nan 8.230 nan 0.000 0.432 120 A N 0.391 123.248 122.820 0.060 0.000 1.908 120 A HA -0.187 4.400 4.320 0.445 0.000 0.218 120 A C 2.571 180.320 177.584 0.275 0.000 1.181 120 A CA 1.967 54.102 52.037 0.163 0.000 0.627 120 A CB -0.698 18.418 19.000 0.194 0.000 0.818 120 A HN 0.416 nan 8.150 nan 0.000 0.445 121 A N -0.733 122.337 122.820 0.417 0.000 1.898 121 A HA -0.133 4.454 4.320 0.445 0.000 0.216 121 A C 2.171 179.877 177.584 0.203 0.000 1.181 121 A CA 1.436 53.693 52.037 0.368 0.000 0.620 121 A CB -0.447 18.843 19.000 0.483 0.000 0.819 121 A HN 0.362 nan 8.150 nan 0.000 0.442 122 R N -0.600 120.007 120.500 0.179 0.000 2.127 122 R HA -0.032 4.575 4.340 0.445 0.000 0.238 122 R C 1.811 178.153 176.300 0.070 0.000 1.134 122 R CA 1.490 57.653 56.100 0.104 0.000 0.975 122 R CB -0.689 29.641 30.300 0.050 0.000 0.865 122 R HN 0.656 nan 8.270 nan 0.000 0.447 123 M N -0.846 118.799 119.600 0.075 0.000 2.595 123 M HA 0.120 4.867 4.480 0.445 0.000 0.248 123 M C 0.909 177.241 176.300 0.052 0.000 1.119 123 M CA 0.741 56.072 55.300 0.052 0.000 1.079 123 M CB 0.258 32.889 32.600 0.053 0.000 1.472 123 M HN 0.282 nan 8.290 nan 0.000 0.501 124 G N 1.074 109.916 108.800 0.069 0.000 2.258 124 G HA2 -0.232 3.995 3.960 0.445 0.000 0.274 124 G HA3 -0.232 3.995 3.960 0.445 0.000 0.274 124 G C 0.811 175.738 174.900 0.046 0.000 1.021 124 G CA 0.402 45.534 45.100 0.054 0.000 0.798 124 G HN 0.826 nan 8.290 nan 0.000 0.507 125 G N -1.896 106.940 108.800 0.059 0.000 2.143 125 G HA2 -0.217 4.010 3.960 0.445 0.000 0.248 125 G HA3 -0.217 4.010 3.960 0.445 0.000 0.248 125 G C 0.198 175.124 174.900 0.043 0.000 0.991 125 G CA 1.077 46.209 45.100 0.053 0.000 0.689 125 G HN 0.946 nan 8.290 nan 0.000 0.522 126 K N -0.030 120.391 120.400 0.036 0.000 2.378 126 K HA 0.732 5.320 4.320 0.445 0.000 0.252 126 K C 0.635 177.244 176.600 0.014 0.000 0.931 126 K CA 0.407 56.706 56.287 0.021 0.000 0.794 126 K CB 1.677 34.182 32.500 0.008 0.000 1.181 126 K HN 1.527 nan 8.250 nan 0.000 0.425 127 G N 0.858 109.662 108.800 0.007 0.000 2.582 127 G HA2 -0.185 4.043 3.960 0.445 0.000 0.222 127 G HA3 -0.185 4.043 3.960 0.445 0.000 0.222 127 G C -1.773 173.143 174.900 0.028 0.000 1.311 127 G CA -0.651 44.449 45.100 -0.000 0.000 0.915 127 G HN 0.443 nan 8.290 nan 0.000 0.528 128 L N -0.189 121.058 121.223 0.040 0.000 2.298 128 L HA 0.870 5.477 4.340 0.445 0.000 0.284 128 L C -0.577 176.370 176.870 0.127 0.000 1.013 128 L CA -0.954 53.931 54.840 0.076 0.000 0.824 128 L CB 1.320 43.416 42.059 0.061 0.000 1.221 128 L HN 1.039 nan 8.230 nan 0.000 0.418 129 L N 6.193 127.483 121.223 0.113 0.000 2.325 129 L HA 0.598 5.205 4.340 0.445 0.000 0.281 129 L C -1.560 175.372 176.870 0.103 0.000 1.004 129 L CA -0.238 54.668 54.840 0.109 0.000 0.823 129 L CB 1.514 43.617 42.059 0.074 0.000 1.236 129 L HN 0.702 nan 8.230 nan 0.000 0.415 130 L N 5.091 126.379 121.223 0.108 0.000 2.333 130 L HA 0.877 5.484 4.340 0.445 0.000 0.280 130 L C -0.620 176.261 176.870 0.017 0.000 1.004 130 L CA -0.424 54.466 54.840 0.083 0.000 0.820 130 L CB 1.569 43.715 42.059 0.144 0.000 1.247 130 L HN 0.825 nan 8.230 nan 0.000 0.416 131 A N 4.010 126.837 122.820 0.012 0.000 2.273 131 A HA 0.515 5.102 4.320 0.445 0.000 0.315 131 A C -0.939 176.638 177.584 -0.012 0.000 1.256 131 A CA -0.607 51.418 52.037 -0.019 0.000 0.851 131 A CB 0.786 19.769 19.000 -0.028 0.000 1.172 131 A HN 0.748 nan 8.150 nan 0.000 0.508 132 N N 1.325 120.011 118.700 -0.024 0.000 2.399 132 N HA 0.528 5.535 4.740 0.445 0.000 0.295 132 N C -1.013 174.478 175.510 -0.032 0.000 1.048 132 N CA -0.166 52.873 53.050 -0.018 0.000 0.886 132 N CB 1.489 39.966 38.487 -0.016 0.000 1.185 132 N HN 0.544 nan 8.380 nan 0.000 0.487 133 E N 2.850 123.032 120.200 -0.030 0.000 2.265 133 E HA 0.209 4.826 4.350 0.445 0.000 0.262 133 E C -0.589 175.991 176.600 -0.033 0.000 0.889 133 E CA -0.660 55.720 56.400 -0.034 0.000 0.789 133 E CB 1.129 30.809 29.700 -0.033 0.000 1.221 133 E HN 0.287 nan 8.360 nan 0.000 0.414 134 V N 3.367 123.260 119.914 -0.035 0.000 2.667 134 V HA -0.017 4.370 4.120 0.445 0.000 0.252 134 V C 0.158 176.232 176.094 -0.033 0.000 1.065 134 V CA 1.653 63.932 62.300 -0.035 0.000 1.083 134 V CB 0.002 31.803 31.823 -0.037 0.000 0.692 134 V HN 0.694 nan 8.190 nan 0.000 0.468 135 D N -0.142 120.238 120.400 -0.033 0.000 2.365 135 D HA 0.263 5.170 4.640 0.445 0.000 0.237 135 D C 1.334 177.616 176.300 -0.030 0.000 1.190 135 D CA 0.576 54.558 54.000 -0.031 0.000 0.867 135 D CB 1.101 41.882 40.800 -0.031 0.000 1.050 135 D HN 0.232 nan 8.370 nan 0.000 0.491 136 G N 3.763 112.545 108.800 -0.031 0.000 2.485 136 G HA2 -0.286 3.941 3.960 0.445 0.000 0.221 136 G HA3 -0.286 3.941 3.960 0.445 0.000 0.221 136 G C 1.333 176.214 174.900 -0.031 0.000 1.115 136 G CA 0.552 45.633 45.100 -0.033 0.000 0.751 136 G HN 0.495 nan 8.290 nan 0.000 0.567 137 K N -0.306 120.078 120.400 -0.027 0.000 2.365 137 K HA 0.074 4.661 4.320 0.445 0.000 0.199 137 K C 2.282 178.869 176.600 -0.021 0.000 1.045 137 K CA 0.406 56.679 56.287 -0.023 0.000 0.962 137 K CB 0.061 32.549 32.500 -0.020 0.000 0.759 137 K HN 0.197 nan 8.250 nan 0.000 0.469 138 R N -0.069 120.417 120.500 -0.023 0.000 2.334 138 R HA 0.095 4.702 4.340 0.445 0.000 0.212 138 R C 1.787 178.076 176.300 -0.019 0.000 0.897 138 R CA -0.076 56.013 56.100 -0.019 0.000 1.056 138 R CB 0.369 30.656 30.300 -0.021 0.000 1.046 138 R HN -0.074 nan 8.270 nan 0.000 0.513 139 V N 1.359 121.257 119.914 -0.027 0.000 2.343 139 V HA -0.283 4.104 4.120 0.445 0.000 0.247 139 V C 2.480 178.557 176.094 -0.029 0.000 1.051 139 V CA 1.904 64.185 62.300 -0.032 0.000 1.036 139 V CB -0.491 31.305 31.823 -0.045 0.000 0.654 139 V HN 0.313 nan 8.190 nan 0.000 0.451 140 R N 0.408 120.890 120.500 -0.030 0.000 2.091 140 R HA -0.164 4.443 4.340 0.445 0.000 0.238 140 R C 2.319 178.620 176.300 0.002 0.000 1.136 140 R CA 1.990 58.075 56.100 -0.025 0.000 0.959 140 R CB -0.791 29.494 30.300 -0.024 0.000 0.856 140 R HN 0.521 nan 8.270 nan 0.000 0.437 141 G N 1.298 110.104 108.800 0.011 0.000 2.418 141 G HA2 -0.269 3.959 3.960 0.445 0.000 0.217 141 G HA3 -0.269 3.959 3.960 0.445 0.000 0.217 141 G C 1.322 176.247 174.900 0.041 0.000 1.158 141 G CA 0.736 45.856 45.100 0.033 0.000 0.771 141 G HN 0.343 nan 8.290 nan 0.000 0.545 142 L N 0.542 121.778 121.223 0.022 0.000 2.017 142 L HA 0.099 4.706 4.340 0.445 0.000 0.208 142 L C 2.687 179.570 176.870 0.022 0.000 1.073 142 L CA 1.386 56.236 54.840 0.017 0.000 0.745 142 L CB -0.523 41.532 42.059 -0.007 0.000 0.894 142 L HN 0.205 nan 8.230 nan 0.000 0.432 143 L N -0.586 120.645 121.223 0.012 0.000 2.042 143 L HA -0.240 4.367 4.340 0.445 0.000 0.210 143 L C 2.552 179.450 176.870 0.046 0.000 1.076 143 L CA 1.682 56.533 54.840 0.019 0.000 0.749 143 L CB -0.680 41.371 42.059 -0.013 0.000 0.893 143 L HN 0.384 nan 8.230 nan 0.000 0.432 144 E N -0.145 120.085 120.200 0.051 0.000 2.110 144 E HA -0.194 4.423 4.350 0.445 0.000 0.193 144 E C 1.954 178.600 176.600 0.077 0.000 0.988 144 E CA 1.006 57.451 56.400 0.074 0.000 0.804 144 E CB -0.050 29.702 29.700 0.087 0.000 0.745 144 E HN 0.473 nan 8.360 nan 0.000 0.458 145 N N 0.333 119.079 118.700 0.078 0.000 2.171 145 N HA -0.101 4.906 4.740 0.445 0.000 0.184 145 N C 1.985 177.556 175.510 0.102 0.000 1.021 145 N CA 0.742 53.845 53.050 0.087 0.000 0.854 145 N CB -0.222 38.353 38.487 0.147 0.000 0.994 145 N HN -0.003 nan 8.380 nan 0.000 0.426 146 V N 1.869 121.829 119.914 0.078 0.000 2.332 146 V HA -0.222 4.165 4.120 0.445 0.000 0.248 146 V C 2.410 178.589 176.094 0.142 0.000 1.055 146 V CA 1.679 64.040 62.300 0.102 0.000 1.038 146 V CB -0.501 31.364 31.823 0.070 0.000 0.651 146 V HN 0.400 nan 8.190 nan 0.000 0.450 147 E N 0.142 120.411 120.200 0.116 0.000 2.085 147 E HA -0.254 4.363 4.350 0.445 0.000 0.194 147 E C 2.419 179.074 176.600 0.091 0.000 0.994 147 E CA 1.403 57.870 56.400 0.112 0.000 0.801 147 E CB -0.076 29.689 29.700 0.108 0.000 0.743 147 E HN 0.517 nan 8.360 nan 0.000 0.453 148 R N -0.482 120.070 120.500 0.086 0.000 2.189 148 R HA -0.077 4.530 4.340 0.445 0.000 0.218 148 R C 2.102 178.445 176.300 0.072 0.000 1.074 148 R CA 0.949 57.072 56.100 0.037 0.000 0.991 148 R CB -0.228 30.032 30.300 -0.067 0.000 0.883 148 R HN 0.478 nan 8.270 nan 0.000 0.457 149 W N 0.441 121.696 121.300 -0.074 0.000 2.476 149 W HA -0.044 4.884 4.660 0.447 0.000 0.281 149 W C 0.664 177.149 176.519 -0.057 0.000 1.230 149 W CA 1.415 58.719 57.345 -0.067 0.000 1.287 149 W CB 0.404 29.845 29.460 -0.032 0.000 1.108 149 W HN 0.339 nan 8.180 nan 0.000 0.567 150 G N 0.525 109.349 108.800 0.041 0.000 2.132 150 G HA2 -0.130 4.097 3.960 0.445 0.000 0.234 150 G HA3 -0.130 4.097 3.960 0.445 0.000 0.234 150 G C -0.202 174.688 174.900 -0.017 0.000 0.989 150 G CA 0.045 45.105 45.100 -0.067 0.000 0.676 150 G HN 0.571 nan 8.290 nan 0.000 0.522 151 A N 0.086 122.967 122.820 0.100 0.000 2.355 151 A HA 0.873 5.460 4.320 0.445 0.000 0.317 151 A C -2.548 175.106 177.584 0.118 0.000 1.094 151 A CA -1.628 50.479 52.037 0.117 0.000 0.764 151 A CB 1.603 20.727 19.000 0.206 0.000 1.230 151 A HN 0.078 nan 8.150 nan 0.000 0.448 152 P HA 0.479 nan 4.420 nan 0.000 0.271 152 P C -1.002 176.359 177.300 0.102 0.000 1.226 152 P CA 0.161 63.323 63.100 0.102 0.000 0.765 152 P CB 0.468 32.222 31.700 0.090 0.000 0.835 153 L N 0.346 121.631 121.223 0.103 0.000 2.720 153 L HA 0.943 5.550 4.340 0.445 0.000 0.261 153 L C -1.332 175.584 176.870 0.077 0.000 1.046 153 L CA -1.494 53.398 54.840 0.086 0.000 0.886 153 L CB 1.027 43.132 42.059 0.076 0.000 1.493 153 L HN 0.230 nan 8.230 nan 0.000 0.407 154 A N 0.584 123.441 122.820 0.062 0.000 2.317 154 A HA 0.865 5.452 4.320 0.445 0.000 0.327 154 A C -0.831 176.770 177.584 0.028 0.000 1.178 154 A CA -0.717 51.343 52.037 0.038 0.000 0.817 154 A CB 1.498 20.523 19.000 0.042 0.000 1.189 154 A HN 0.695 nan 8.150 nan 0.000 0.489 155 V N 2.757 122.671 119.914 0.000 0.000 2.384 155 V HA 0.591 4.978 4.120 0.445 0.000 0.287 155 V C 0.511 176.598 176.094 -0.013 0.000 1.020 155 V CA -0.060 62.236 62.300 -0.007 0.000 0.850 155 V CB 1.271 33.082 31.823 -0.020 0.000 0.987 155 V HN 1.104 nan 8.190 nan 0.000 0.436 156 T N 1.743 116.302 114.554 0.009 0.000 2.942 156 T HA 0.642 5.260 4.350 0.445 0.000 0.289 156 T C -0.597 174.098 174.700 -0.008 0.000 1.044 156 T CA -0.764 61.345 62.100 0.013 0.000 1.023 156 T CB 2.211 71.120 68.868 0.068 0.000 1.123 156 T HN 0.593 nan 8.240 nan 0.000 0.512 157 Q N 0.620 120.410 119.800 -0.017 0.000 2.771 157 Q HA 0.588 5.195 4.340 0.445 0.000 0.247 157 Q C -1.545 174.437 176.000 -0.030 0.000 0.986 157 Q CA -0.723 55.064 55.803 -0.027 0.000 0.713 157 Q CB 0.485 29.203 28.738 -0.034 0.000 1.241 157 Q HN 1.066 nan 8.270 nan 0.000 0.488 158 A N 3.515 126.315 122.820 -0.034 0.000 2.606 158 A HA 0.778 5.365 4.320 0.445 0.000 0.293 158 A C -2.962 174.592 177.584 -0.050 0.000 1.082 158 A CA -1.372 50.638 52.037 -0.046 0.000 0.685 158 A CB 1.551 20.515 19.000 -0.060 0.000 1.284 158 A HN 0.479 nan 8.150 nan 0.000 0.408 159 P HA 0.277 nan 4.420 nan 0.000 0.271 159 P C -2.044 175.219 177.300 -0.061 0.000 1.216 159 P CA -1.009 62.060 63.100 -0.051 0.000 0.776 159 P CB 0.369 32.041 31.700 -0.048 0.000 0.881 160 P HA -0.178 nan 4.420 nan 0.000 0.217 160 P C 1.562 178.824 177.300 -0.063 0.000 1.148 160 P CA 1.388 64.453 63.100 -0.058 0.000 0.828 160 P CB -0.030 31.640 31.700 -0.051 0.000 0.783 161 R N 0.009 120.476 120.500 -0.054 0.000 2.091 161 R HA -0.158 4.449 4.340 0.445 0.000 0.238 161 R C 2.037 178.290 176.300 -0.080 0.000 1.136 161 R CA 1.836 57.906 56.100 -0.051 0.000 0.959 161 R CB -0.853 29.424 30.300 -0.039 0.000 0.856 161 R HN 0.081 nan 8.270 nan 0.000 0.437 162 A N 0.972 123.733 122.820 -0.099 0.000 1.933 162 A HA -0.096 4.491 4.320 0.445 0.000 0.218 162 A C 2.187 179.621 177.584 -0.249 0.000 1.175 162 A CA 1.152 53.106 52.037 -0.140 0.000 0.628 162 A CB -0.399 18.529 19.000 -0.120 0.000 0.814 162 A HN 0.352 nan 8.150 nan 0.000 0.444 163 L N -1.012 120.052 121.223 -0.266 0.000 2.072 163 L HA -0.127 4.480 4.340 0.445 0.000 0.205 163 L C 3.093 179.747 176.870 -0.359 0.000 1.079 163 L CA 0.948 55.497 54.840 -0.486 0.000 0.752 163 L CB -0.693 41.233 42.059 -0.220 0.000 0.906 163 L HN 0.416 nan 8.230 nan 0.000 0.436 164 A N 0.262 123.009 122.820 -0.122 0.000 1.908 164 A HA -0.230 4.357 4.320 0.445 0.000 0.218 164 A C 2.170 179.736 177.584 -0.031 0.000 1.181 164 A CA 1.769 53.802 52.037 -0.007 0.000 0.627 164 A CB -0.441 18.567 19.000 0.013 0.000 0.818 164 A HN 0.465 nan 8.150 nan 0.000 0.445 165 E N -0.486 119.661 120.200 -0.089 0.000 2.106 165 E HA -0.070 4.547 4.350 0.445 0.000 0.192 165 E C 2.262 178.806 176.600 -0.093 0.000 0.984 165 E CA 0.905 57.263 56.400 -0.071 0.000 0.806 165 E CB -0.234 29.422 29.700 -0.074 0.000 0.750 165 E HN 0.633 nan 8.360 nan 0.000 0.458 166 A N 0.360 123.042 122.820 -0.230 0.000 1.930 166 A HA -0.067 4.520 4.320 0.445 0.000 0.215 166 A C 1.547 179.141 177.584 0.015 0.000 1.176 166 A CA 0.958 52.855 52.037 -0.233 0.000 0.632 166 A CB -0.124 18.561 19.000 -0.526 0.000 0.819 166 A HN 0.140 nan 8.150 nan 0.000 0.445 167 F N -1.123 118.847 119.950 0.033 0.000 2.602 167 F HA 0.404 5.198 4.527 0.445 0.000 0.284 167 F C 1.823 177.659 175.800 0.060 0.000 1.111 167 F CA -0.064 57.942 58.000 0.010 0.000 1.405 167 F CB -1.110 38.014 39.000 0.207 0.000 1.121 167 F HN 0.401 nan 8.300 nan 0.000 0.603 168 G N 0.763 109.725 108.800 0.270 0.000 2.575 168 G HA2 -0.305 3.923 3.960 0.445 0.000 0.267 168 G HA3 -0.305 3.923 3.960 0.445 0.000 0.267 168 G C 0.352 175.432 174.900 0.300 0.000 1.264 168 G CA 0.134 45.364 45.100 0.218 0.000 0.935 168 G HN 0.529 nan 8.290 nan 0.000 0.568 169 T N -2.510 112.178 114.554 0.224 0.000 4.219 169 T HA 0.409 5.026 4.350 0.445 0.000 0.263 169 T C 0.580 175.450 174.700 0.284 0.000 1.217 169 T CA 0.814 63.028 62.100 0.191 0.000 1.145 169 T CB 0.261 69.148 68.868 0.032 0.000 1.298 169 T HN 0.902 nan 8.240 nan 0.000 0.999 170 Y N 1.443 121.870 120.300 0.211 0.000 2.444 170 Y HA 0.489 5.306 4.550 0.445 0.000 0.252 170 Y C -0.274 175.596 175.900 -0.049 0.000 1.091 170 Y CA -1.774 56.359 58.100 0.056 0.000 1.276 170 Y CB 0.567 38.890 38.460 -0.228 0.000 1.170 170 Y HN 0.477 nan 8.280 nan 0.000 0.517 171 F N -0.418 119.678 119.950 0.244 0.000 2.422 171 F HA 0.289 5.083 4.527 0.445 0.000 0.333 171 F C 1.119 177.037 175.800 0.197 0.000 1.095 171 F CA -0.460 57.619 58.000 0.131 0.000 1.038 171 F CB 1.196 40.293 39.000 0.163 0.000 1.156 171 F HN -0.053 nan 8.300 nan 0.000 0.483 172 H N 0.543 119.865 119.070 0.419 0.000 2.395 172 H HA 0.153 4.976 4.556 0.445 0.000 0.299 172 H C -0.008 175.484 175.328 0.274 0.000 1.070 172 H CA 1.082 57.356 56.048 0.377 0.000 1.356 172 H CB 0.247 30.131 29.762 0.203 0.000 1.401 172 H HN 0.231 nan 8.280 nan 0.000 0.524 173 R N 0.434 121.157 120.500 0.372 0.000 2.604 173 R HA 0.514 5.121 4.340 0.445 0.000 0.281 173 R C -1.663 174.739 176.300 0.169 0.000 1.020 173 R CA -0.677 55.563 56.100 0.235 0.000 0.899 173 R CB 2.850 33.251 30.300 0.168 0.000 1.205 173 R HN -0.130 nan 8.270 nan 0.000 0.450 174 V N 3.475 123.454 119.914 0.108 0.000 2.638 174 V HA 0.391 4.778 4.120 0.445 0.000 0.306 174 V C -0.960 175.135 176.094 0.002 0.000 1.052 174 V CA -0.913 61.393 62.300 0.010 0.000 0.885 174 V CB 2.197 34.021 31.823 0.001 0.000 0.999 174 V HN 0.536 nan 8.190 nan 0.000 0.424 175 L N 5.921 127.121 121.223 -0.037 0.000 2.313 175 L HA 0.725 5.332 4.340 0.445 0.000 0.283 175 L C -0.980 175.862 176.870 -0.045 0.000 1.013 175 L CA -0.382 54.438 54.840 -0.034 0.000 0.816 175 L CB 1.489 43.518 42.059 -0.051 0.000 1.236 175 L HN 0.630 nan 8.230 nan 0.000 0.419 176 L N 4.927 126.138 121.223 -0.021 0.000 2.337 176 L HA 0.479 5.086 4.340 0.445 0.000 0.269 176 L C -0.976 175.856 176.870 -0.063 0.000 1.018 176 L CA -0.144 54.685 54.840 -0.017 0.000 0.876 176 L CB 0.790 42.875 42.059 0.044 0.000 1.236 176 L HN 0.671 nan 8.230 nan 0.000 0.436 177 D N 4.244 124.588 120.400 -0.093 0.000 2.468 177 D HA 0.478 5.385 4.640 0.445 0.000 0.218 177 D C -0.055 176.163 176.300 -0.137 0.000 1.155 177 D CA 0.013 53.933 54.000 -0.134 0.000 0.924 177 D CB 0.963 41.709 40.800 -0.089 0.000 1.029 177 D HN 0.655 nan 8.370 nan 0.000 0.515 178 A N 4.526 127.228 122.820 -0.197 0.000 2.322 178 A HA 0.537 5.124 4.320 0.445 0.000 0.269 178 A C -2.082 175.433 177.584 -0.114 0.000 1.094 178 A CA -1.161 50.808 52.037 -0.112 0.000 0.807 178 A CB 0.122 19.102 19.000 -0.034 0.000 1.047 178 A HN 0.517 nan 8.150 nan 0.000 0.487 179 P HA 0.298 nan 4.420 nan 0.000 0.268 179 P C -0.193 177.059 177.300 -0.080 0.000 1.204 179 P CA 0.082 63.136 63.100 -0.077 0.000 0.768 179 P CB 0.142 31.808 31.700 -0.057 0.000 0.842 180 C N 0.162 119.403 119.300 -0.099 0.000 3.316 180 C HA 0.517 5.245 4.460 0.445 0.000 0.360 180 C C 1.822 176.761 174.990 -0.084 0.000 1.560 180 C CA 0.028 58.985 59.018 -0.101 0.000 1.229 180 C CB 1.031 28.677 27.740 -0.157 0.000 1.823 180 C HN 0.536 nan 8.230 nan 0.000 0.440 181 S N -0.078 115.586 115.700 -0.060 0.000 2.555 181 S HA 0.325 5.062 4.470 0.445 0.000 0.230 181 S C 1.527 176.134 174.600 0.013 0.000 0.978 181 S CA 1.250 59.464 58.200 0.024 0.000 0.934 181 S CB -1.039 62.230 63.200 0.115 0.000 0.766 181 S HN 2.906 nan 8.310 nan 0.000 0.533 182 G N 1.542 110.247 108.800 -0.159 0.000 2.283 182 G HA2 -0.315 3.912 3.960 0.445 0.000 0.280 182 G HA3 -0.315 3.912 3.960 0.445 0.000 0.280 182 G C 0.395 174.956 174.900 -0.566 0.000 1.029 182 G CA 0.551 45.487 45.100 -0.273 0.000 0.840 182 G HN 0.625 nan 8.290 nan 0.000 0.505 183 E N -0.560 119.170 120.200 -0.784 0.000 2.204 183 E HA 0.000 4.617 4.350 0.445 0.000 0.195 183 E C 2.558 178.457 176.600 -1.169 0.000 0.990 183 E CA 0.755 56.245 56.400 -1.516 0.000 0.821 183 E CB -0.176 29.055 29.700 -0.782 0.000 0.750 183 E HN 0.548 nan 8.360 nan 0.000 0.477 184 G N 0.180 108.424 108.800 -0.927 0.000 2.776 184 G HA2 -0.134 4.093 3.960 0.445 0.000 0.209 184 G HA3 -0.134 4.093 3.960 0.445 0.000 0.209 184 G C 1.230 175.963 174.900 -0.278 0.000 1.145 184 G CA 0.179 44.917 45.100 -0.604 0.000 0.791 184 G HN 0.078 nan 8.290 nan 0.000 0.530 185 M N -0.368 119.046 119.600 -0.310 0.000 2.382 185 M HA 0.348 5.095 4.480 0.445 0.000 0.247 185 M C 1.417 177.757 176.300 0.065 0.000 1.104 185 M CA -0.439 54.802 55.300 -0.097 0.000 1.030 185 M CB -0.601 31.956 32.600 -0.072 0.000 1.424 185 M HN 0.082 nan 8.290 nan 0.000 0.486 186 F N 1.416 121.318 119.950 -0.080 0.000 2.126 186 F HA -0.136 4.658 4.527 0.445 0.000 0.299 186 F C 2.634 178.404 175.800 -0.050 0.000 1.096 186 F CA 1.357 59.303 58.000 -0.090 0.000 1.255 186 F CB -1.188 37.712 39.000 -0.168 0.000 0.997 186 F HN 0.234 nan 8.300 nan 0.000 0.479 187 R N 0.577 121.178 120.500 0.168 0.000 2.092 187 R HA -0.117 4.490 4.340 0.445 0.000 0.231 187 R C 1.830 178.157 176.300 0.044 0.000 1.119 187 R CA 1.406 57.556 56.100 0.084 0.000 0.970 187 R CB -0.063 30.273 30.300 0.060 0.000 0.864 187 R HN 0.174 nan 8.270 nan 0.000 0.440 188 K N -0.874 119.544 120.400 0.031 0.000 2.367 188 K HA 0.006 4.593 4.320 0.445 0.000 0.194 188 K C -0.389 176.231 176.600 0.034 0.000 1.027 188 K CA 0.196 56.486 56.287 0.005 0.000 1.075 188 K CB 0.550 33.017 32.500 -0.055 0.000 0.845 188 K HN 0.017 nan 8.250 nan 0.000 0.529 189 D N 0.637 121.072 120.400 0.058 0.000 2.375 189 D HA 0.113 5.020 4.640 0.445 0.000 0.259 189 D C 0.553 176.893 176.300 0.066 0.000 1.235 189 D CA -0.287 53.752 54.000 0.064 0.000 0.924 189 D CB 0.626 41.468 40.800 0.070 0.000 1.143 189 D HN -0.223 nan 8.370 nan 0.000 0.529 190 R N 1.452 121.975 120.500 0.038 0.000 2.303 190 R HA -0.104 4.503 4.340 0.445 0.000 0.225 190 R C 1.337 177.637 176.300 0.000 0.000 1.114 190 R CA 0.487 56.591 56.100 0.006 0.000 1.007 190 R CB -0.077 30.223 30.300 0.001 0.000 0.861 190 R HN 0.548 nan 8.270 nan 0.000 0.471 191 E N 0.346 120.571 120.200 0.042 0.000 2.447 191 E HA 0.068 4.685 4.350 0.445 0.000 0.195 191 E C 1.307 177.998 176.600 0.152 0.000 1.028 191 E CA 0.367 56.808 56.400 0.068 0.000 0.876 191 E CB 0.319 30.073 29.700 0.089 0.000 0.885 191 E HN 0.192 nan 8.360 nan 0.000 0.500 192 A N 1.130 124.043 122.820 0.156 0.000 1.929 192 A HA 0.068 4.655 4.320 0.445 0.000 0.216 192 A C 2.388 180.101 177.584 0.215 0.000 1.176 192 A CA 1.313 53.510 52.037 0.267 0.000 0.628 192 A CB -0.470 18.703 19.000 0.288 0.000 0.816 192 A HN 0.305 nan 8.150 nan 0.000 0.444 193 A N -0.030 122.700 122.820 -0.151 0.000 1.948 193 A HA -0.227 4.360 4.320 0.445 0.000 0.220 193 A C 2.232 179.727 177.584 -0.149 0.000 1.177 193 A CA 1.737 53.447 52.037 -0.544 0.000 0.636 193 A CB -0.577 17.986 19.000 -0.728 0.000 0.815 193 A HN 0.516 nan 8.150 nan 0.000 0.449 194 R N -0.975 119.467 120.500 -0.097 0.000 2.127 194 R HA -0.188 4.419 4.340 0.445 0.000 0.238 194 R C 1.664 177.880 176.300 -0.141 0.000 1.134 194 R CA 1.769 57.780 56.100 -0.148 0.000 0.975 194 R CB -0.403 29.740 30.300 -0.262 0.000 0.865 194 R HN 0.763 nan 8.270 nan 0.000 0.447 195 H N -2.306 116.813 119.070 0.082 0.000 2.512 195 H HA -0.081 4.742 4.556 0.445 0.000 0.279 195 H C 0.207 175.621 175.328 0.144 0.000 0.999 195 H CA 0.194 56.297 56.048 0.092 0.000 1.283 195 H CB -0.161 29.651 29.762 0.083 0.000 1.421 195 H HN 0.202 nan 8.280 nan 0.000 0.554 196 W N 1.875 123.252 121.300 0.128 0.000 2.170 196 W HA 0.358 5.285 4.660 0.445 0.000 0.336 196 W C 0.262 176.823 176.519 0.070 0.000 1.283 196 W CA 0.541 57.963 57.345 0.128 0.000 1.224 196 W CB 0.774 30.363 29.460 0.215 0.000 1.132 196 W HN 0.040 nan 8.180 nan 0.000 0.571 197 G N 4.573 112.996 108.800 -0.627 0.000 2.690 197 G HA2 0.361 4.588 3.960 0.445 0.000 0.293 197 G HA3 0.361 4.588 3.960 0.445 0.000 0.293 197 G C -2.470 171.658 174.900 -1.288 0.000 1.399 197 G CA -1.091 43.653 45.100 -0.593 0.000 0.890 197 G HN 0.264 nan 8.290 nan 0.000 0.485 198 P HA -0.060 nan 4.420 nan 0.000 0.226 198 P C 1.577 178.676 177.300 -0.334 0.000 1.153 198 P CA 1.429 64.266 63.100 -0.438 0.000 0.777 198 P CB 0.339 32.019 31.700 -0.034 0.000 0.794 199 S N -1.490 114.019 115.700 -0.318 0.000 2.548 199 S HA 0.292 5.030 4.470 0.445 0.000 0.215 199 S C 1.978 176.428 174.600 -0.250 0.000 0.976 199 S CA 0.323 58.394 58.200 -0.215 0.000 0.908 199 S CB -0.696 62.415 63.200 -0.149 0.000 0.781 199 S HN 0.057 nan 8.310 nan 0.000 0.519 200 A N 3.286 125.863 122.820 -0.405 0.000 1.883 200 A HA 0.103 4.690 4.320 0.445 0.000 0.217 200 A C 0.013 177.465 177.584 -0.221 0.000 1.186 200 A CA 1.449 53.277 52.037 -0.348 0.000 0.624 200 A CB -1.807 16.876 19.000 -0.528 0.000 0.822 200 A HN 0.514 nan 8.150 nan 0.000 0.444 201 P HA -0.165 nan 4.420 nan 0.000 0.215 201 P C 1.281 178.532 177.300 -0.081 0.000 1.157 201 P CA 1.528 64.583 63.100 -0.076 0.000 0.868 201 P CB -0.090 31.608 31.700 -0.003 0.000 0.788 202 K N -0.595 119.750 120.400 -0.090 0.000 2.097 202 K HA -0.165 4.422 4.320 0.445 0.000 0.206 202 K C 2.359 178.909 176.600 -0.084 0.000 1.049 202 K CA 1.207 57.446 56.287 -0.080 0.000 0.933 202 K CB -0.294 32.161 32.500 -0.075 0.000 0.717 202 K HN 0.023 nan 8.250 nan 0.000 0.442 203 R N 0.638 121.081 120.500 -0.095 0.000 2.066 203 R HA -0.078 4.529 4.340 0.445 0.000 0.232 203 R C 2.321 178.575 176.300 -0.077 0.000 1.131 203 R CA 1.286 57.335 56.100 -0.085 0.000 0.955 203 R CB -0.002 30.242 30.300 -0.093 0.000 0.851 203 R HN 0.051 nan 8.270 nan 0.000 0.432 204 M N 0.367 119.920 119.600 -0.079 0.000 2.108 204 M HA -0.104 4.643 4.480 0.445 0.000 0.261 204 M C 2.444 178.712 176.300 -0.052 0.000 1.066 204 M CA 1.760 57.023 55.300 -0.062 0.000 1.107 204 M CB -1.044 31.520 32.600 -0.060 0.000 1.356 204 M HN 0.344 nan 8.290 nan 0.000 0.406 205 A N 0.008 122.792 122.820 -0.061 0.000 1.933 205 A HA -0.150 4.437 4.320 0.445 0.000 0.218 205 A C 2.071 179.595 177.584 -0.100 0.000 1.175 205 A CA 1.433 53.429 52.037 -0.068 0.000 0.628 205 A CB -0.440 18.513 19.000 -0.077 0.000 0.814 205 A HN 0.409 nan 8.150 nan 0.000 0.444 206 E N -0.178 119.963 120.200 -0.098 0.000 2.106 206 E HA -0.088 4.530 4.350 0.445 0.000 0.192 206 E C 2.212 178.760 176.600 -0.086 0.000 0.984 206 E CA 1.189 57.523 56.400 -0.109 0.000 0.806 206 E CB -0.670 28.977 29.700 -0.088 0.000 0.750 206 E HN 0.387 nan 8.360 nan 0.000 0.458 207 V N 1.414 121.290 119.914 -0.064 0.000 2.343 207 V HA -0.274 4.113 4.120 0.445 0.000 0.247 207 V C 2.382 178.452 176.094 -0.040 0.000 1.051 207 V CA 1.808 64.079 62.300 -0.047 0.000 1.036 207 V CB -0.490 31.309 31.823 -0.040 0.000 0.654 207 V HN 0.244 nan 8.190 nan 0.000 0.451 208 Q N -0.240 119.541 119.800 -0.031 0.000 2.084 208 Q HA -0.227 4.380 4.340 0.445 0.000 0.202 208 Q C 2.338 178.291 176.000 -0.079 0.000 0.978 208 Q CA 1.671 57.475 55.803 0.001 0.000 0.844 208 Q CB -0.231 28.556 28.738 0.082 0.000 0.898 208 Q HN 0.579 nan 8.270 nan 0.000 0.426 209 K N 0.208 120.537 120.400 -0.118 0.000 2.063 209 K HA -0.143 4.444 4.320 0.445 0.000 0.208 209 K C 2.086 178.664 176.600 -0.036 0.000 1.048 209 K CA 1.236 57.449 56.287 -0.123 0.000 0.928 209 K CB -0.184 32.132 32.500 -0.308 0.000 0.713 209 K HN 0.170 nan 8.250 nan 0.000 0.442 210 A N 1.172 123.967 122.820 -0.041 0.000 1.898 210 A HA -0.092 4.495 4.320 0.445 0.000 0.216 210 A C 2.098 179.669 177.584 -0.021 0.000 1.181 210 A CA 1.095 53.127 52.037 -0.008 0.000 0.620 210 A CB -0.522 18.468 19.000 -0.017 0.000 0.819 210 A HN 0.143 nan 8.150 nan 0.000 0.442 211 L N -1.141 120.057 121.223 -0.041 0.000 2.056 211 L HA -0.150 4.457 4.340 0.445 0.000 0.207 211 L C 2.530 179.343 176.870 -0.094 0.000 1.078 211 L CA 0.962 55.772 54.840 -0.049 0.000 0.749 211 L CB -0.435 41.608 42.059 -0.028 0.000 0.901 211 L HN 0.417 nan 8.230 nan 0.000 0.433 212 L N 0.079 121.209 121.223 -0.155 0.000 2.056 212 L HA -0.125 4.482 4.340 0.445 0.000 0.207 212 L C 2.648 179.332 176.870 -0.310 0.000 1.078 212 L CA 1.925 56.557 54.840 -0.347 0.000 0.749 212 L CB -0.755 40.946 42.059 -0.597 0.000 0.901 212 L HN 0.151 nan 8.230 nan 0.000 0.433 213 A N -1.235 121.533 122.820 -0.087 0.000 1.908 213 A HA -0.242 4.345 4.320 0.445 0.000 0.218 213 A C 2.153 179.727 177.584 -0.016 0.000 1.181 213 A CA 1.711 53.767 52.037 0.031 0.000 0.627 213 A CB -0.522 18.579 19.000 0.168 0.000 0.818 213 A HN 0.562 nan 8.150 nan 0.000 0.445 214 Q N -0.586 119.198 119.800 -0.027 0.000 2.079 214 Q HA -0.088 4.519 4.340 0.445 0.000 0.200 214 Q C 2.463 178.439 176.000 -0.039 0.000 0.974 214 Q CA 1.580 57.371 55.803 -0.019 0.000 0.840 214 Q CB -0.898 27.826 28.738 -0.025 0.000 0.898 214 Q HN 0.655 nan 8.270 nan 0.000 0.430 215 A N 1.448 124.211 122.820 -0.094 0.000 1.948 215 A HA -0.222 4.365 4.320 0.445 0.000 0.220 215 A C 2.359 179.890 177.584 -0.088 0.000 1.177 215 A CA 2.332 54.305 52.037 -0.106 0.000 0.636 215 A CB -0.723 18.176 19.000 -0.168 0.000 0.815 215 A HN 0.506 nan 8.150 nan 0.000 0.449 216 S N -0.310 115.290 115.700 -0.167 0.000 2.447 216 S HA -0.133 4.604 4.470 0.445 0.000 0.233 216 S C 1.779 176.465 174.600 0.143 0.000 1.006 216 S CA 1.019 59.143 58.200 -0.127 0.000 0.957 216 S CB -0.449 62.509 63.200 -0.404 0.000 0.773 216 S HN 0.635 nan 8.310 nan 0.000 0.507 217 R N 0.346 120.905 120.500 0.099 0.000 2.235 217 R HA 0.234 4.842 4.340 0.445 0.000 0.213 217 R C 1.297 177.702 176.300 0.175 0.000 1.059 217 R CA 0.819 57.001 56.100 0.137 0.000 0.997 217 R CB -0.396 29.963 30.300 0.098 0.000 0.884 217 R HN 0.424 nan 8.270 nan 0.000 0.462 218 L N 0.416 121.757 121.223 0.196 0.000 2.607 218 L HA 0.182 4.789 4.340 0.445 0.000 0.228 218 L C 0.153 177.247 176.870 0.372 0.000 1.123 218 L CA -0.027 55.004 54.840 0.318 0.000 0.890 218 L CB 0.312 42.529 42.059 0.264 0.000 1.103 218 L HN 0.025 nan 8.230 nan 0.000 0.468 219 L N -0.189 121.187 121.223 0.255 0.000 2.307 219 L HA 0.467 5.074 4.340 0.445 0.000 0.282 219 L C 0.935 177.777 176.870 -0.048 0.000 1.051 219 L CA -0.497 54.451 54.840 0.181 0.000 0.804 219 L CB 1.322 43.520 42.059 0.232 0.000 1.197 219 L HN 0.005 nan 8.230 nan 0.000 0.431 220 G N 2.818 111.424 108.800 -0.323 0.000 2.563 220 G HA2 0.397 4.624 3.960 0.445 0.000 0.283 220 G HA3 0.397 4.624 3.960 0.445 0.000 0.283 220 G C -2.646 171.723 174.900 -0.884 0.000 1.309 220 G CA -1.220 43.258 45.100 -1.036 0.000 1.022 220 G HN 0.348 nan 8.290 nan 0.000 0.501 221 P HA 0.200 nan 4.420 nan 0.000 0.267 221 P C 0.808 177.924 177.300 -0.306 0.000 1.209 221 P CA 1.367 64.145 63.100 -0.538 0.000 0.763 221 P CB 0.920 32.339 31.700 -0.469 0.000 0.816 222 G N 2.283 110.983 108.800 -0.167 0.000 2.184 222 G HA2 -0.196 4.031 3.960 0.445 0.000 0.264 222 G HA3 -0.196 4.031 3.960 0.445 0.000 0.264 222 G C 0.651 175.575 174.900 0.041 0.000 0.975 222 G CA -0.157 44.928 45.100 -0.025 0.000 0.642 222 G HN 0.882 nan 8.290 nan 0.000 0.536 223 G N -0.842 107.949 108.800 -0.016 0.000 2.484 223 G HA2 0.506 4.733 3.960 0.445 0.000 0.235 223 G HA3 0.506 4.733 3.960 0.445 0.000 0.235 223 G C 0.064 175.064 174.900 0.168 0.000 1.282 223 G CA 0.457 45.620 45.100 0.105 0.000 0.857 223 G HN 1.024 nan 8.290 nan 0.000 0.571 224 V N 2.887 122.928 119.914 0.212 0.000 2.398 224 V HA 0.404 4.791 4.120 0.445 0.000 0.286 224 V C -0.141 176.093 176.094 0.234 0.000 1.026 224 V CA -0.698 61.733 62.300 0.218 0.000 0.868 224 V CB 1.296 33.215 31.823 0.162 0.000 0.982 224 V HN 0.653 nan 8.190 nan 0.000 0.443 225 L N 6.686 128.088 121.223 0.298 0.000 2.333 225 L HA 0.761 5.368 4.340 0.445 0.000 0.280 225 L C -0.638 176.391 176.870 0.264 0.000 1.004 225 L CA 0.020 55.000 54.840 0.234 0.000 0.820 225 L CB 1.850 43.999 42.059 0.150 0.000 1.247 225 L HN 0.420 nan 8.230 nan 0.000 0.416 226 V N 5.356 125.360 119.914 0.151 0.000 2.495 226 V HA 0.391 4.779 4.120 0.445 0.000 0.298 226 V C -1.249 174.934 176.094 0.148 0.000 1.031 226 V CA -0.610 61.765 62.300 0.126 0.000 0.871 226 V CB 1.592 33.432 31.823 0.028 0.000 0.988 226 V HN 0.687 nan 8.190 nan 0.000 0.432 227 Y N 4.340 124.665 120.300 0.042 0.000 2.335 227 Y HA 0.708 5.525 4.550 0.445 0.000 0.338 227 Y C 0.157 176.056 175.900 -0.001 0.000 0.977 227 Y CA -0.523 57.592 58.100 0.024 0.000 1.114 227 Y CB 1.789 40.315 38.460 0.109 0.000 1.182 227 Y HN 0.704 nan 8.280 nan 0.000 0.463 228 S N 3.336 118.731 115.700 -0.508 0.000 2.569 228 S HA 0.853 5.590 4.470 0.445 0.000 0.280 228 S C -0.663 173.609 174.600 -0.547 0.000 1.111 228 S CA -0.422 57.536 58.200 -0.404 0.000 0.887 228 S CB 1.806 64.925 63.200 -0.134 0.000 1.095 228 S HN 0.918 nan 8.310 nan 0.000 0.476 229 T N -2.195 112.115 114.554 -0.406 0.000 2.896 229 T HA 0.560 5.178 4.350 0.445 0.000 0.297 229 T C 0.257 174.520 174.700 -0.729 0.000 1.108 229 T CA -0.639 61.186 62.100 -0.458 0.000 1.004 229 T CB 0.903 69.568 68.868 -0.338 0.000 1.159 229 T HN 1.530 nan 8.240 nan 0.000 0.499 230 C N 0.800 119.660 119.300 -0.734 0.000 2.361 230 C HA 0.711 5.438 4.460 0.445 0.000 0.336 230 C C 0.506 175.082 174.990 -0.690 0.000 1.406 230 C CA -0.501 57.989 59.018 -0.880 0.000 1.763 230 C CB -2.202 25.160 27.740 -0.630 0.000 2.761 230 C HN 0.994 nan 8.230 nan 0.000 0.566 231 T N -1.051 113.115 114.554 -0.646 0.000 2.841 231 T HA 0.653 5.270 4.350 0.445 0.000 0.296 231 T C -0.124 174.208 174.700 -0.613 0.000 1.166 231 T CA -0.190 61.512 62.100 -0.663 0.000 1.007 231 T CB 0.998 69.659 68.868 -0.344 0.000 1.253 231 T HN 0.175 nan 8.240 nan 0.000 0.511 232 F N 1.129 121.030 119.950 -0.082 0.000 2.678 232 F HA 0.501 5.295 4.527 0.445 0.000 0.291 232 F C 1.728 177.482 175.800 -0.077 0.000 1.123 232 F CA -0.303 57.646 58.000 -0.085 0.000 1.395 232 F CB -0.498 38.575 39.000 0.121 0.000 1.121 232 F HN 0.602 nan 8.300 nan 0.000 0.592 233 A N 2.375 125.269 122.820 0.124 0.000 2.561 233 A HA 0.082 4.669 4.320 0.445 0.000 0.251 233 A C -1.473 176.038 177.584 -0.120 0.000 1.062 233 A CA -0.750 51.307 52.037 0.033 0.000 0.761 233 A CB -0.356 18.706 19.000 0.103 0.000 0.986 233 A HN 0.081 nan 8.150 nan 0.000 0.510 234 P HA -0.151 nan 4.420 nan 0.000 0.216 234 P C 0.953 178.170 177.300 -0.138 0.000 1.150 234 P CA 1.447 64.407 63.100 -0.232 0.000 0.837 234 P CB 0.192 31.583 31.700 -0.514 0.000 0.786 235 E N -0.061 120.068 120.200 -0.119 0.000 2.118 235 E HA -0.197 4.420 4.350 0.445 0.000 0.195 235 E C 1.682 178.240 176.600 -0.071 0.000 0.992 235 E CA 1.249 57.604 56.400 -0.076 0.000 0.804 235 E CB -0.638 29.023 29.700 -0.065 0.000 0.741 235 E HN 0.467 nan 8.360 nan 0.000 0.458 236 E N -0.347 119.803 120.200 -0.083 0.000 2.474 236 E HA 0.048 4.666 4.350 0.445 0.000 0.194 236 E C 0.777 177.349 176.600 -0.046 0.000 1.041 236 E CA -0.012 56.361 56.400 -0.045 0.000 0.874 236 E CB 0.278 29.951 29.700 -0.046 0.000 0.914 236 E HN 0.164 nan 8.360 nan 0.000 0.498 237 N N 0.590 119.136 118.700 -0.257 0.000 2.528 237 N HA 0.009 5.016 4.740 0.445 0.000 0.208 237 N C 1.396 176.647 175.510 -0.431 0.000 1.218 237 N CA 0.203 52.794 53.050 -0.766 0.000 1.112 237 N CB -0.462 37.136 38.487 -1.481 0.000 1.423 237 N HN -0.124 nan 8.380 nan 0.000 0.497 238 E N 0.756 120.767 120.200 -0.315 0.000 2.130 238 E HA -0.067 4.550 4.350 0.445 0.000 0.196 238 E C 1.780 178.444 176.600 0.107 0.000 0.998 238 E CA 1.441 57.891 56.400 0.084 0.000 0.806 238 E CB -0.658 29.173 29.700 0.219 0.000 0.738 238 E HN 0.542 nan 8.360 nan 0.000 0.459 239 G N 0.244 109.073 108.800 0.049 0.000 2.446 239 G HA2 -0.258 3.969 3.960 0.445 0.000 0.217 239 G HA3 -0.258 3.969 3.960 0.445 0.000 0.217 239 G C 1.728 176.668 174.900 0.068 0.000 1.168 239 G CA 1.006 46.141 45.100 0.058 0.000 0.771 239 G HN 0.205 nan 8.290 nan 0.000 0.551 240 V N 0.396 120.319 119.914 0.016 0.000 2.358 240 V HA -0.146 4.241 4.120 0.445 0.000 0.246 240 V C 3.026 179.160 176.094 0.067 0.000 1.047 240 V CA 1.402 63.687 62.300 -0.024 0.000 1.035 240 V CB -0.272 31.449 31.823 -0.171 0.000 0.658 240 V HN 0.248 nan 8.190 nan 0.000 0.452 241 V N 0.390 120.386 119.914 0.136 0.000 2.343 241 V HA -0.244 4.144 4.120 0.445 0.000 0.247 241 V C 2.715 179.011 176.094 0.336 0.000 1.051 241 V CA 2.018 64.503 62.300 0.308 0.000 1.036 241 V CB -1.123 30.944 31.823 0.407 0.000 0.654 241 V HN 0.553 nan 8.190 nan 0.000 0.451 242 A N -0.724 122.246 122.820 0.250 0.000 1.902 242 A HA -0.289 4.298 4.320 0.445 0.000 0.217 242 A C 2.270 179.969 177.584 0.190 0.000 1.181 242 A CA 1.971 54.132 52.037 0.207 0.000 0.623 242 A CB -0.874 18.226 19.000 0.165 0.000 0.818 242 A HN 0.716 nan 8.150 nan 0.000 0.443 243 H N -1.637 117.499 119.070 0.109 0.000 2.353 243 H HA -0.163 4.660 4.556 0.445 0.000 0.300 243 H C 1.948 177.341 175.328 0.108 0.000 1.090 243 H CA 2.025 58.121 56.048 0.080 0.000 1.327 243 H CB -0.422 29.373 29.762 0.054 0.000 1.383 243 H HN 0.462 nan 8.280 nan 0.000 0.508 244 F N 1.432 121.436 119.950 0.091 0.000 2.102 244 F HA -0.175 4.619 4.527 0.445 0.000 0.298 244 F C 2.513 178.333 175.800 0.035 0.000 1.105 244 F CA 1.276 59.281 58.000 0.010 0.000 1.239 244 F CB -0.691 38.198 39.000 -0.185 0.000 0.991 244 F HN 0.083 nan 8.300 nan 0.000 0.474 245 L N 0.216 121.479 121.223 0.068 0.000 2.083 245 L HA -0.244 4.363 4.340 0.445 0.000 0.209 245 L C 2.569 179.391 176.870 -0.080 0.000 1.083 245 L CA 1.735 56.584 54.840 0.015 0.000 0.752 245 L CB -0.745 41.439 42.059 0.208 0.000 0.899 245 L HN 0.144 nan 8.230 nan 0.000 0.433 246 K N 0.258 120.607 120.400 -0.085 0.000 2.097 246 K HA -0.155 4.432 4.320 0.445 0.000 0.206 246 K C 1.916 178.388 176.600 -0.214 0.000 1.049 246 K CA 1.341 57.555 56.287 -0.122 0.000 0.933 246 K CB -0.008 32.421 32.500 -0.118 0.000 0.717 246 K HN 0.297 nan 8.250 nan 0.000 0.442 247 A N -0.259 122.367 122.820 -0.323 0.000 2.178 247 A HA 0.013 4.600 4.320 0.445 0.000 0.211 247 A C 0.027 177.190 177.584 -0.702 0.000 1.157 247 A CA 0.316 52.069 52.037 -0.473 0.000 0.780 247 A CB 0.072 18.765 19.000 -0.511 0.000 0.828 247 A HN 0.304 nan 8.150 nan 0.000 0.476 248 H N -0.377 118.454 119.070 -0.399 0.000 2.448 248 H HA 0.174 4.997 4.556 0.445 0.000 0.237 248 H C -2.183 173.046 175.328 -0.164 0.000 1.391 248 H CA -1.313 54.526 56.048 -0.349 0.000 1.477 248 H CB 0.940 30.247 29.762 -0.759 0.000 1.520 248 H HN 0.272 nan 8.280 nan 0.000 0.502 249 P HA -0.160 nan 4.420 nan 0.000 0.225 249 P C 1.350 178.658 177.300 0.013 0.000 1.148 249 P CA 0.954 64.047 63.100 -0.012 0.000 0.779 249 P CB 0.405 32.080 31.700 -0.041 0.000 0.780 250 E N -0.137 120.072 120.200 0.015 0.000 2.516 250 E HA -0.082 4.535 4.350 0.445 0.000 0.199 250 E C -0.196 176.279 176.600 -0.208 0.000 1.069 250 E CA 0.199 56.547 56.400 -0.087 0.000 0.876 250 E CB -0.584 29.042 29.700 -0.123 0.000 0.843 250 E HN 0.233 nan 8.360 nan 0.000 0.530 251 F N 1.936 121.894 119.950 0.013 0.000 2.480 251 F HA 0.419 5.213 4.527 0.445 0.000 0.329 251 F C 0.697 176.601 175.800 0.173 0.000 1.091 251 F CA -1.028 57.037 58.000 0.109 0.000 0.972 251 F CB 1.423 40.501 39.000 0.130 0.000 1.150 251 F HN -0.156 nan 8.300 nan 0.000 0.467 252 R N 3.387 124.112 120.500 0.375 0.000 2.686 252 R HA 0.651 5.258 4.340 0.445 0.000 0.286 252 R C -1.636 174.863 176.300 0.332 0.000 0.969 252 R CA -0.907 55.368 56.100 0.291 0.000 0.898 252 R CB 1.518 31.907 30.300 0.147 0.000 1.183 252 R HN 0.644 nan 8.270 nan 0.000 0.456 253 L N 2.330 123.690 121.223 0.228 0.000 2.426 253 L HA 0.182 4.789 4.340 0.445 0.000 0.271 253 L C 0.383 177.264 176.870 0.017 0.000 1.169 253 L CA 0.345 55.205 54.840 0.033 0.000 0.836 253 L CB 0.729 42.767 42.059 -0.035 0.000 1.112 253 L HN 0.635 nan 8.230 nan 0.000 0.465 254 E N 1.260 121.438 120.200 -0.037 0.000 2.221 254 E HA 0.156 4.773 4.350 0.445 0.000 0.268 254 E C -1.156 175.413 176.600 -0.052 0.000 0.933 254 E CA -0.976 55.414 56.400 -0.017 0.000 0.809 254 E CB 1.683 31.390 29.700 0.012 0.000 1.190 254 E HN 0.392 nan 8.360 nan 0.000 0.406 255 D N 0.926 121.310 120.400 -0.027 0.000 2.434 255 D HA 0.051 4.959 4.640 0.445 0.000 0.252 255 D C -0.037 176.244 176.300 -0.032 0.000 1.185 255 D CA 0.232 54.215 54.000 -0.028 0.000 0.886 255 D CB 1.061 41.853 40.800 -0.013 0.000 1.148 255 D HN 0.518 nan 8.370 nan 0.000 0.483 256 A N 5.045 127.839 122.820 -0.043 0.000 2.308 256 A HA 0.064 4.651 4.320 0.445 0.000 0.217 256 A C 1.011 178.646 177.584 0.086 0.000 1.216 256 A CA -0.157 51.865 52.037 -0.025 0.000 0.864 256 A CB 0.120 19.048 19.000 -0.121 0.000 0.902 256 A HN 0.515 nan 8.150 nan 0.000 0.499 257 R N 0.947 121.488 120.500 0.070 0.000 3.247 257 R HA 0.252 4.859 4.340 0.445 0.000 0.212 257 R C 0.204 176.463 176.300 -0.069 0.000 1.604 257 R CA -0.244 55.921 56.100 0.108 0.000 1.279 257 R CB -0.234 30.105 30.300 0.065 0.000 1.277 257 R HN 0.444 nan 8.270 nan 0.000 0.669 258 L N 0.151 121.277 121.223 -0.162 0.000 2.191 258 L HA -0.102 4.505 4.340 0.445 0.000 0.212 258 L C 1.264 177.914 176.870 -0.368 0.000 1.103 258 L CA 1.170 55.860 54.840 -0.249 0.000 0.769 258 L CB -0.361 41.604 42.059 -0.156 0.000 0.908 258 L HN 0.548 nan 8.230 nan 0.000 0.438 259 H N -1.306 117.252 119.070 -0.854 0.000 2.930 259 H HA 0.198 5.021 4.556 0.445 0.000 0.371 259 H C -2.163 172.954 175.328 -0.351 0.000 1.169 259 H CA -1.569 54.141 56.048 -0.562 0.000 1.157 259 H CB 2.683 32.089 29.762 -0.594 0.000 1.789 259 H HN -0.307 nan 8.280 nan 0.000 0.547 260 P HA -0.057 nan 4.420 nan 0.000 0.221 260 P C 1.594 178.975 177.300 0.134 0.000 1.145 260 P CA 0.835 63.870 63.100 -0.109 0.000 0.795 260 P CB 0.327 31.917 31.700 -0.185 0.000 0.775 261 L N -2.797 118.683 121.223 0.429 0.000 2.291 261 L HA -0.036 4.571 4.340 0.445 0.000 0.214 261 L C 0.766 177.878 176.870 0.402 0.000 1.120 261 L CA 0.155 55.238 54.840 0.406 0.000 0.799 261 L CB -0.631 41.703 42.059 0.459 0.000 0.925 261 L HN -0.085 nan 8.230 nan 0.000 0.446 262 F N 1.182 121.178 119.950 0.078 0.000 2.538 262 F HA 0.220 5.014 4.527 0.445 0.000 0.371 262 F C 0.922 176.746 175.800 0.041 0.000 1.087 262 F CA -1.279 56.712 58.000 -0.016 0.000 1.250 262 F CB -0.163 38.798 39.000 -0.065 0.000 1.110 262 F HN -0.139 nan 8.300 nan 0.000 0.570 263 A N 6.317 129.279 122.820 0.236 0.000 2.316 263 A HA 0.628 5.215 4.320 0.445 0.000 0.284 263 A C -2.310 175.369 177.584 0.157 0.000 1.115 263 A CA -1.586 50.582 52.037 0.218 0.000 0.812 263 A CB 0.007 19.222 19.000 0.358 0.000 1.064 263 A HN 0.446 nan 8.150 nan 0.000 0.489 264 P HA 0.193 nan 4.420 nan 0.000 0.272 264 P C 0.547 177.903 177.300 0.093 0.000 1.223 264 P CA 0.222 63.368 63.100 0.077 0.000 0.784 264 P CB 0.546 32.272 31.700 0.042 0.000 0.923 265 G N 0.658 109.519 108.800 0.102 0.000 2.684 265 G HA2 0.337 4.564 3.960 0.445 0.000 0.255 265 G HA3 0.337 4.564 3.960 0.445 0.000 0.255 265 G C -0.696 174.221 174.900 0.028 0.000 1.219 265 G CA -0.412 44.790 45.100 0.169 0.000 0.901 265 G HN 0.365 nan 8.290 nan 0.000 0.548 266 V N 2.160 122.049 119.914 -0.041 0.000 2.326 266 V HA 0.199 4.586 4.120 0.445 0.000 0.281 266 V C -1.465 174.546 176.094 -0.139 0.000 1.015 266 V CA -1.027 61.089 62.300 -0.307 0.000 0.823 266 V CB 1.912 33.086 31.823 -1.082 0.000 1.009 266 V HN 0.526 nan 8.190 nan 0.000 0.436 267 P HA -0.198 nan 4.420 nan 0.000 0.216 267 P C 1.541 178.862 177.300 0.034 0.000 1.150 267 P CA 1.137 64.241 63.100 0.007 0.000 0.843 267 P CB 0.425 32.123 31.700 -0.003 0.000 0.787 268 E N -1.491 118.696 120.200 -0.021 0.000 2.265 268 E HA -0.185 4.432 4.350 0.445 0.000 0.196 268 E C 0.785 177.549 176.600 0.273 0.000 0.996 268 E CA 0.803 57.249 56.400 0.077 0.000 0.832 268 E CB -0.262 29.462 29.700 0.039 0.000 0.756 268 E HN 0.256 nan 8.360 nan 0.000 0.491 269 W N 0.010 121.338 121.300 0.046 0.000 3.256 269 W HA 0.306 5.233 4.660 0.445 0.000 0.269 269 W C 0.842 177.383 176.519 0.035 0.000 1.310 269 W CA 0.461 57.828 57.345 0.037 0.000 1.673 269 W CB 0.248 29.731 29.460 0.038 0.000 1.115 269 W HN 0.040 nan 8.180 nan 0.000 0.686 270 G N 0.087 109.036 108.800 0.247 0.000 4.566 270 G HA2 0.330 4.557 3.960 0.445 0.000 0.276 270 G HA3 0.330 4.557 3.960 0.445 0.000 0.276 270 G C 0.084 175.064 174.900 0.134 0.000 1.248 270 G CA -0.415 44.790 45.100 0.175 0.000 0.858 270 G HN 0.169 nan 8.290 nan 0.000 0.549 271 E N -0.662 119.609 120.200 0.120 0.000 2.971 271 E HA -0.270 4.347 4.350 0.445 0.000 0.278 271 E C 1.479 178.124 176.600 0.075 0.000 1.009 271 E CA 0.891 57.345 56.400 0.089 0.000 0.862 271 E CB -1.293 28.454 29.700 0.080 0.000 1.436 271 E HN 1.672 nan 8.360 nan 0.000 0.434 272 G N 0.625 109.473 108.800 0.079 0.000 2.153 272 G HA2 -0.370 3.857 3.960 0.445 0.000 0.252 272 G HA3 -0.370 3.857 3.960 0.445 0.000 0.252 272 G C -0.042 174.888 174.900 0.051 0.000 0.994 272 G CA 0.221 45.355 45.100 0.056 0.000 0.698 272 G HN 0.322 nan 8.290 nan 0.000 0.521 273 N N 0.891 119.631 118.700 0.067 0.000 2.405 273 N HA 0.332 5.339 4.740 0.445 0.000 0.260 273 N C -0.662 174.882 175.510 0.058 0.000 1.152 273 N CA -1.877 51.213 53.050 0.066 0.000 0.948 273 N CB 1.259 39.798 38.487 0.088 0.000 1.111 273 N HN 0.069 nan 8.380 nan 0.000 0.485 274 P HA -0.077 nan 4.420 nan 0.000 0.222 274 P C 0.759 178.082 177.300 0.038 0.000 1.147 274 P CA 0.844 63.962 63.100 0.031 0.000 0.790 274 P CB 0.410 32.125 31.700 0.024 0.000 0.780 275 E N -0.146 120.085 120.200 0.052 0.000 2.209 275 E HA -0.135 4.482 4.350 0.445 0.000 0.196 275 E C 1.911 178.546 176.600 0.057 0.000 0.993 275 E CA 0.880 57.315 56.400 0.057 0.000 0.819 275 E CB -0.814 28.935 29.700 0.081 0.000 0.745 275 E HN 0.377 nan 8.360 nan 0.000 0.477 276 L N 0.525 121.793 121.223 0.075 0.000 2.450 276 L HA -0.127 4.480 4.340 0.445 0.000 0.224 276 L C 2.278 179.189 176.870 0.068 0.000 1.149 276 L CA 0.279 55.177 54.840 0.097 0.000 0.816 276 L CB -0.397 41.740 42.059 0.129 0.000 0.932 276 L HN 0.099 nan 8.230 nan 0.000 0.449 277 L N -0.427 120.818 121.223 0.037 0.000 2.353 277 L HA -0.208 4.399 4.340 0.445 0.000 0.220 277 L C 2.232 179.112 176.870 0.017 0.000 1.133 277 L CA 1.190 56.043 54.840 0.023 0.000 0.798 277 L CB -0.402 41.664 42.059 0.012 0.000 0.922 277 L HN 0.258 nan 8.230 nan 0.000 0.445 278 K N -0.519 119.885 120.400 0.007 0.000 2.400 278 K HA 0.012 4.599 4.320 0.445 0.000 0.194 278 K C 1.020 177.580 176.600 -0.066 0.000 1.033 278 K CA 0.368 56.641 56.287 -0.023 0.000 1.021 278 K CB 0.034 32.517 32.500 -0.029 0.000 0.808 278 K HN 0.393 nan 8.250 nan 0.000 0.505 279 T N -1.061 113.458 114.554 -0.058 0.000 2.828 279 T HA 0.519 5.136 4.350 0.445 0.000 0.290 279 T C -0.041 174.577 174.700 -0.137 0.000 1.019 279 T CA -0.983 61.018 62.100 -0.165 0.000 1.031 279 T CB 1.658 70.477 68.868 -0.082 0.000 1.001 279 T HN 0.052 nan 8.240 nan 0.000 0.531 280 A N 1.509 124.145 122.820 -0.308 0.000 2.371 280 A HA 0.738 5.325 4.320 0.445 0.000 0.311 280 A C -0.247 177.171 177.584 -0.276 0.000 1.068 280 A CA -1.104 50.817 52.037 -0.193 0.000 0.744 280 A CB 1.206 20.132 19.000 -0.124 0.000 1.239 280 A HN 0.845 nan 8.150 nan 0.000 0.435 281 R N 1.217 121.626 120.500 -0.153 0.000 2.437 281 R HA 0.539 5.146 4.340 0.445 0.000 0.310 281 R C -1.646 174.412 176.300 -0.403 0.000 0.955 281 R CA -0.677 55.267 56.100 -0.261 0.000 0.851 281 R CB 1.592 31.764 30.300 -0.213 0.000 1.161 281 R HN 0.535 nan 8.270 nan 0.000 0.446 282 L N 3.598 124.516 121.223 -0.508 0.000 2.262 282 L HA 0.386 4.994 4.340 0.445 0.000 0.288 282 L C -0.967 175.802 176.870 -0.168 0.000 1.035 282 L CA 0.006 54.585 54.840 -0.435 0.000 0.820 282 L CB 0.543 42.219 42.059 -0.638 0.000 1.204 282 L HN 0.471 nan 8.230 nan 0.000 0.424 283 W N 5.220 126.534 121.300 0.024 0.000 2.573 283 W HA 0.448 5.375 4.660 0.445 0.000 0.326 283 W C -1.311 175.280 176.519 0.119 0.000 1.049 283 W CA -1.359 56.066 57.345 0.134 0.000 1.220 283 W CB 1.475 30.896 29.460 -0.065 0.000 1.373 283 W HN 0.366 nan 8.180 nan 0.000 0.507 284 P HA -0.222 nan 4.420 nan 0.000 0.223 284 P C 1.003 178.478 177.300 0.291 0.000 1.151 284 P CA 1.707 65.014 63.100 0.345 0.000 0.787 284 P CB 0.063 31.952 31.700 0.314 0.000 0.788 285 H N -1.336 117.870 119.070 0.228 0.000 2.539 285 H HA 0.269 5.092 4.556 0.445 0.000 0.267 285 H C 1.269 176.674 175.328 0.127 0.000 0.982 285 H CA 0.086 56.209 56.048 0.125 0.000 1.146 285 H CB -0.107 29.701 29.762 0.077 0.000 1.382 285 H HN 0.071 nan 8.280 nan 0.000 0.577 286 R N 0.442 120.859 120.500 -0.138 0.000 2.394 286 R HA 0.236 4.843 4.340 0.445 0.000 0.220 286 R C -0.097 176.256 176.300 0.088 0.000 0.887 286 R CA 0.074 56.129 56.100 -0.074 0.000 1.034 286 R CB 0.885 31.114 30.300 -0.119 0.000 1.179 286 R HN 0.244 nan 8.270 nan 0.000 0.561 287 L N -2.912 118.396 121.223 0.141 0.000 2.765 287 L HA 0.480 5.088 4.340 0.445 0.000 0.263 287 L C -0.555 176.465 176.870 0.250 0.000 1.068 287 L CA -1.117 53.860 54.840 0.228 0.000 0.903 287 L CB 1.226 43.444 42.059 0.264 0.000 1.512 287 L HN -0.212 nan 8.230 nan 0.000 0.404 288 E N -0.136 120.262 120.200 0.331 0.000 1.893 288 E HA 0.606 5.223 4.350 0.445 0.000 0.269 288 E C -0.408 176.469 176.600 0.462 0.000 1.129 288 E CA 0.125 56.668 56.400 0.237 0.000 0.904 288 E CB -0.107 29.548 29.700 -0.075 0.000 1.077 288 E HN 1.009 nan 8.360 nan 0.000 0.407 289 G N 2.646 111.646 108.800 0.334 0.000 2.387 289 G HA2 -0.001 4.226 3.960 0.445 0.000 0.294 289 G HA3 -0.001 4.226 3.960 0.445 0.000 0.294 289 G C -0.013 175.010 174.900 0.205 0.000 1.509 289 G CA -0.578 44.714 45.100 0.320 0.000 0.806 289 G HN 0.284 nan 8.290 nan 0.000 0.546 290 E N -0.427 119.868 120.200 0.158 0.000 2.086 290 E HA 0.290 4.907 4.350 0.445 0.000 0.190 290 E C 1.233 177.970 176.600 0.229 0.000 0.975 290 E CA 1.453 57.943 56.400 0.149 0.000 0.813 290 E CB 0.388 30.128 29.700 0.067 0.000 0.768 290 E HN 1.656 nan 8.360 nan 0.000 0.457 291 G N 0.275 109.168 108.800 0.155 0.000 2.220 291 G HA2 0.229 4.456 3.960 0.445 0.000 0.232 291 G HA3 0.229 4.456 3.960 0.445 0.000 0.232 291 G C -1.646 173.202 174.900 -0.086 0.000 1.680 291 G CA -0.836 44.330 45.100 0.110 0.000 0.922 291 G HN 0.139 nan 8.290 nan 0.000 0.723 292 H N -0.214 118.695 119.070 -0.269 0.000 3.046 292 H HA 0.719 5.542 4.556 0.445 0.000 0.361 292 H C -1.500 173.668 175.328 -0.267 0.000 1.235 292 H CA -0.499 55.370 56.048 -0.298 0.000 1.146 292 H CB 2.056 31.630 29.762 -0.312 0.000 1.859 292 H HN 0.705 nan 8.280 nan 0.000 0.548 293 F N 3.223 122.985 119.950 -0.313 0.000 2.520 293 F HA 0.666 5.460 4.527 0.445 0.000 0.322 293 F C -1.869 173.818 175.800 -0.187 0.000 1.103 293 F CA -0.624 57.226 58.000 -0.250 0.000 0.926 293 F CB 0.872 39.747 39.000 -0.208 0.000 1.154 293 F HN 0.319 nan 8.300 nan 0.000 0.453 294 L N 5.649 126.264 121.223 -1.014 0.000 2.386 294 L HA 0.869 5.476 4.340 0.445 0.000 0.271 294 L C -0.966 175.392 176.870 -0.852 0.000 0.993 294 L CA -1.083 53.334 54.840 -0.704 0.000 0.819 294 L CB 1.920 43.723 42.059 -0.427 0.000 1.294 294 L HN 0.798 nan 8.230 nan 0.000 0.414 295 A N 3.108 125.649 122.820 -0.466 0.000 2.398 295 A HA 0.775 5.362 4.320 0.445 0.000 0.301 295 A C -1.076 176.290 177.584 -0.364 0.000 1.041 295 A CA -0.603 51.184 52.037 -0.417 0.000 0.711 295 A CB 1.812 20.672 19.000 -0.234 0.000 1.240 295 A HN 0.778 nan 8.150 nan 0.000 0.420 296 R N 2.195 122.430 120.500 -0.442 0.000 2.494 296 R HA 0.752 5.359 4.340 0.445 0.000 0.305 296 R C -1.817 174.267 176.300 -0.359 0.000 0.959 296 R CA -0.370 55.578 56.100 -0.253 0.000 0.864 296 R CB 0.861 31.101 30.300 -0.099 0.000 1.159 296 R HN 0.578 nan 8.270 nan 0.000 0.446 297 F N 1.853 121.874 119.950 0.119 0.000 2.561 297 F HA 0.543 5.337 4.527 0.445 0.000 0.321 297 F C 0.061 176.013 175.800 0.253 0.000 1.065 297 F CA -1.144 56.993 58.000 0.230 0.000 0.934 297 F CB 1.769 40.990 39.000 0.367 0.000 1.215 297 F HN 0.364 nan 8.300 nan 0.000 0.471 298 R N 1.847 122.603 120.500 0.426 0.000 2.562 298 R HA 0.424 5.031 4.340 0.445 0.000 0.298 298 R C -1.258 175.080 176.300 0.064 0.000 0.961 298 R CA -0.764 55.475 56.100 0.232 0.000 0.881 298 R CB 1.542 31.916 30.300 0.123 0.000 1.159 298 R HN 0.684 nan 8.270 nan 0.000 0.450 299 K N 2.514 122.806 120.400 -0.180 0.000 2.201 299 K HA 0.167 4.754 4.320 0.445 0.000 0.278 299 K C -0.833 175.548 176.600 -0.366 0.000 1.027 299 K CA -0.451 55.429 56.287 -0.678 0.000 0.909 299 K CB 0.926 32.949 32.500 -0.795 0.000 1.062 299 K HN 0.540 nan 8.250 nan 0.000 0.465 300 E N 2.397 122.384 120.200 -0.355 0.000 2.156 300 E HA 0.339 4.956 4.350 0.445 0.000 0.279 300 E C 0.166 176.637 176.600 -0.215 0.000 0.965 300 E CA -0.042 56.232 56.400 -0.210 0.000 0.789 300 E CB 1.491 31.109 29.700 -0.136 0.000 1.098 300 E HN 0.944 nan 8.360 nan 0.000 0.397 301 G N 1.854 110.545 108.800 -0.181 0.000 2.685 301 G HA2 0.243 4.470 3.960 0.445 0.000 0.387 301 G HA3 0.243 4.470 3.960 0.445 0.000 0.387 301 G C 0.222 175.008 174.900 -0.191 0.000 1.324 301 G CA -0.268 44.739 45.100 -0.155 0.000 0.878 301 G HN 1.075 nan 8.290 nan 0.000 0.527 302 G N -1.632 107.081 108.800 -0.145 0.000 2.728 302 G HA2 0.502 4.729 3.960 0.445 0.000 0.294 302 G HA3 0.502 4.729 3.960 0.445 0.000 0.294 302 G C 0.234 175.029 174.900 -0.175 0.000 1.342 302 G CA 0.930 45.943 45.100 -0.144 0.000 0.866 302 G HN 2.834 nan 8.290 nan 0.000 0.534 303 A N -1.135 121.593 122.820 -0.153 0.000 2.384 303 A HA 0.773 5.360 4.320 0.445 0.000 0.312 303 A C -0.597 176.892 177.584 -0.159 0.000 1.113 303 A CA -0.387 51.578 52.037 -0.121 0.000 0.779 303 A CB 0.945 19.943 19.000 -0.003 0.000 1.307 303 A HN 1.280 nan 8.150 nan 0.000 0.436 304 W N 1.907 123.204 121.300 -0.005 0.000 2.253 304 W HA 0.374 5.301 4.660 0.446 0.000 0.322 304 W C 1.105 177.650 176.519 0.043 0.000 1.342 304 W CA 0.608 57.950 57.345 -0.007 0.000 1.218 304 W CB 0.864 30.295 29.460 -0.047 0.000 1.205 304 W HN 0.788 nan 8.180 nan 0.000 0.551 305 S N 1.072 116.972 115.700 0.333 0.000 2.600 305 S HA 0.408 5.145 4.470 0.445 0.000 0.265 305 S C 0.308 175.071 174.600 0.270 0.000 1.325 305 S CA -0.384 57.966 58.200 0.250 0.000 1.002 305 S CB 1.131 64.465 63.200 0.223 0.000 0.921 305 S HN 0.513 nan 8.310 nan 0.000 0.554 306 T N -1.534 113.105 114.554 0.142 0.000 3.585 306 T HA 0.415 5.032 4.350 0.445 0.000 0.252 306 T C -2.617 172.082 174.700 -0.002 0.000 1.382 306 T CA -1.323 60.832 62.100 0.092 0.000 1.584 306 T CB -0.081 68.835 68.868 0.080 0.000 0.892 306 T HN 0.562 nan 8.240 nan 0.000 0.671 307 P HA 0.219 nan 4.420 nan 0.000 0.269 307 P C -0.026 177.210 177.300 -0.107 0.000 1.215 307 P CA -0.449 62.576 63.100 -0.125 0.000 0.780 307 P CB 0.902 32.452 31.700 -0.251 0.000 0.898 308 R N 1.075 121.545 120.500 -0.050 0.000 2.570 308 R HA 0.208 4.816 4.340 0.445 0.000 0.277 308 R C 0.302 176.569 176.300 -0.054 0.000 1.039 308 R CA -0.226 55.854 56.100 -0.034 0.000 1.065 308 R CB -0.061 30.234 30.300 -0.009 0.000 0.964 308 R HN 0.465 nan 8.270 nan 0.000 0.428 309 L N 1.873 123.071 121.223 -0.042 0.000 2.399 309 L HA 0.200 4.807 4.340 0.445 0.000 0.266 309 L C 0.487 177.347 176.870 -0.017 0.000 1.114 309 L CA -0.682 54.131 54.840 -0.044 0.000 0.804 309 L CB 0.985 43.030 42.059 -0.024 0.000 1.146 309 L HN 0.503 nan 8.230 nan 0.000 0.451 310 E N 2.364 122.556 120.200 -0.014 0.000 2.328 310 E HA 0.077 4.694 4.350 0.445 0.000 0.265 310 E C -0.956 175.652 176.600 0.012 0.000 1.057 310 E CA 0.376 56.779 56.400 0.006 0.000 0.916 310 E CB 0.356 30.062 29.700 0.009 0.000 0.993 310 E HN 0.288 nan 8.360 nan 0.000 0.446 311 R N 5.493 126.003 120.500 0.016 0.000 2.467 311 R HA 0.328 4.935 4.340 0.445 0.000 0.299 311 R C -2.231 174.083 176.300 0.024 0.000 1.120 311 R CA -1.865 54.246 56.100 0.020 0.000 0.940 311 R CB 1.216 31.525 30.300 0.015 0.000 1.161 311 R HN 0.478 nan 8.270 nan 0.000 0.506 312 P HA 0.087 nan 4.420 nan 0.000 0.271 312 P C -0.389 176.929 177.300 0.029 0.000 1.216 312 P CA -0.156 62.965 63.100 0.034 0.000 0.776 312 P CB 0.833 32.557 31.700 0.041 0.000 0.881 313 S N 3.526 119.243 115.700 0.028 0.000 2.566 313 S HA 0.155 4.892 4.470 0.445 0.000 0.280 313 S C -1.952 172.663 174.600 0.024 0.000 1.343 313 S CA -0.557 57.657 58.200 0.024 0.000 1.036 313 S CB -0.858 62.356 63.200 0.024 0.000 0.866 313 S HN 0.425 nan 8.310 nan 0.000 0.526 314 P HA 0.118 nan 4.420 nan 0.000 0.267 314 P C -0.416 176.897 177.300 0.022 0.000 1.200 314 P CA -0.155 62.959 63.100 0.024 0.000 0.772 314 P CB 0.269 31.982 31.700 0.023 0.000 0.855 315 L N 1.151 122.387 121.223 0.021 0.000 2.483 315 L HA 0.066 4.673 4.340 0.445 0.000 0.276 315 L C 1.289 178.172 176.870 0.021 0.000 1.213 315 L CA -0.169 54.680 54.840 0.016 0.000 0.843 315 L CB -0.050 42.018 42.059 0.016 0.000 1.107 315 L HN 0.527 nan 8.230 nan 0.000 0.487 316 S N 1.642 117.353 115.700 0.019 0.000 2.580 316 S HA -0.003 4.734 4.470 0.445 0.000 0.266 316 S C 0.835 175.449 174.600 0.024 0.000 1.354 316 S CA -0.589 57.623 58.200 0.020 0.000 1.008 316 S CB 0.973 64.184 63.200 0.018 0.000 0.898 316 S HN 0.593 nan 8.310 nan 0.000 0.555 317 Q N 0.708 120.522 119.800 0.023 0.000 2.124 317 Q HA -0.146 4.461 4.340 0.445 0.000 0.202 317 Q C 2.088 178.105 176.000 0.029 0.000 0.977 317 Q CA 1.810 57.627 55.803 0.024 0.000 0.850 317 Q CB -0.530 28.220 28.738 0.020 0.000 0.901 317 Q HN 0.959 nan 8.270 nan 0.000 0.429 318 E N 0.126 120.342 120.200 0.027 0.000 2.047 318 E HA -0.124 4.493 4.350 0.445 0.000 0.191 318 E C 1.823 178.450 176.600 0.045 0.000 0.987 318 E CA 0.965 57.385 56.400 0.032 0.000 0.799 318 E CB 0.099 29.814 29.700 0.025 0.000 0.752 318 E HN 0.239 nan 8.360 nan 0.000 0.449 319 A N 1.378 124.222 122.820 0.040 0.000 1.902 319 A HA -0.170 4.417 4.320 0.445 0.000 0.217 319 A C 2.168 179.794 177.584 0.071 0.000 1.181 319 A CA 1.287 53.353 52.037 0.047 0.000 0.623 319 A CB -0.682 18.328 19.000 0.016 0.000 0.818 319 A HN 0.360 nan 8.150 nan 0.000 0.443 320 L N 0.843 122.104 121.223 0.063 0.000 2.017 320 L HA -0.197 4.410 4.340 0.445 0.000 0.208 320 L C 2.676 179.593 176.870 0.078 0.000 1.073 320 L CA 2.650 57.540 54.840 0.083 0.000 0.745 320 L CB -0.650 41.443 42.059 0.057 0.000 0.894 320 L HN 0.606 nan 8.230 nan 0.000 0.432 321 R N -0.484 120.049 120.500 0.056 0.000 2.075 321 R HA -0.028 4.580 4.340 0.445 0.000 0.232 321 R C 2.082 178.416 176.300 0.056 0.000 1.126 321 R CA 1.365 57.490 56.100 0.043 0.000 0.963 321 R CB -1.085 29.236 30.300 0.034 0.000 0.858 321 R HN 0.302 nan 8.270 nan 0.000 0.435 322 A N 0.862 123.734 122.820 0.087 0.000 1.898 322 A HA -0.119 4.468 4.320 0.445 0.000 0.216 322 A C 2.010 179.681 177.584 0.144 0.000 1.181 322 A CA 1.107 53.223 52.037 0.131 0.000 0.620 322 A CB -0.681 18.417 19.000 0.163 0.000 0.819 322 A HN 0.462 nan 8.150 nan 0.000 0.442 323 F N 0.711 120.582 119.950 -0.132 0.000 2.113 323 F HA -0.058 4.738 4.527 0.448 0.000 0.297 323 F C 2.364 178.065 175.800 -0.164 0.000 1.103 323 F CA 1.487 59.257 58.000 -0.384 0.000 1.248 323 F CB -0.361 38.375 39.000 -0.441 0.000 0.999 323 F HN 0.108 nan 8.300 nan 0.000 0.475 324 R N -0.191 120.216 120.500 -0.156 0.000 2.096 324 R HA -0.089 4.518 4.340 0.445 0.000 0.235 324 R C 2.537 178.737 176.300 -0.166 0.000 1.127 324 R CA 1.059 57.029 56.100 -0.217 0.000 0.968 324 R CB -1.192 29.055 30.300 -0.090 0.000 0.861 324 R HN 0.464 nan 8.270 nan 0.000 0.440 325 G N 1.000 109.763 108.800 -0.062 0.000 2.446 325 G HA2 -0.316 3.911 3.960 0.445 0.000 0.217 325 G HA3 -0.316 3.911 3.960 0.445 0.000 0.217 325 G C 1.214 176.106 174.900 -0.013 0.000 1.168 325 G CA 0.580 45.669 45.100 -0.018 0.000 0.771 325 G HN 0.302 nan 8.290 nan 0.000 0.551 326 F N 1.391 121.268 119.950 -0.121 0.000 2.075 326 F HA -0.000 4.793 4.527 0.443 0.000 0.297 326 F C 2.426 178.126 175.800 -0.167 0.000 1.113 326 F CA 1.290 59.235 58.000 -0.091 0.000 1.218 326 F CB -0.402 38.599 39.000 0.002 0.000 0.984 326 F HN 0.053 nan 8.300 nan 0.000 0.472 327 L N 0.159 121.062 121.223 -0.533 0.000 2.079 327 L HA -0.220 4.387 4.340 0.445 0.000 0.210 327 L C 2.570 179.186 176.870 -0.422 0.000 1.081 327 L CA 1.944 56.419 54.840 -0.607 0.000 0.752 327 L CB -0.838 40.899 42.059 -0.537 0.000 0.896 327 L HN 0.323 nan 8.230 nan 0.000 0.433 328 E N 0.258 120.281 120.200 -0.294 0.000 2.047 328 E HA -0.269 4.348 4.350 0.445 0.000 0.191 328 E C 2.033 178.522 176.600 -0.186 0.000 0.987 328 E CA 1.160 57.444 56.400 -0.194 0.000 0.799 328 E CB 0.171 29.794 29.700 -0.128 0.000 0.752 328 E HN 0.281 nan 8.360 nan 0.000 0.449 329 E N 0.018 120.102 120.200 -0.194 0.000 2.150 329 E HA -0.063 4.554 4.350 0.445 0.000 0.193 329 E C 1.425 177.908 176.600 -0.195 0.000 0.985 329 E CA 1.185 57.498 56.400 -0.145 0.000 0.814 329 E CB -0.048 29.607 29.700 -0.076 0.000 0.752 329 E HN 0.319 nan 8.360 nan 0.000 0.466 330 A N -0.599 122.001 122.820 -0.367 0.000 2.178 330 A HA 0.353 4.940 4.320 0.445 0.000 0.211 330 A C 1.539 178.966 177.584 -0.262 0.000 1.157 330 A CA 0.683 52.503 52.037 -0.363 0.000 0.780 330 A CB -0.471 18.106 19.000 -0.706 0.000 0.828 330 A HN 0.347 nan 8.150 nan 0.000 0.476 331 G N -0.613 108.044 108.800 -0.238 0.000 2.314 331 G HA2 -0.190 4.037 3.960 0.445 0.000 0.292 331 G HA3 -0.190 4.037 3.960 0.445 0.000 0.292 331 G C -0.225 174.577 174.900 -0.164 0.000 1.059 331 G CA 0.513 45.513 45.100 -0.168 0.000 0.982 331 G HN 0.532 nan 8.290 nan 0.000 0.505 332 L N 0.117 121.219 121.223 -0.203 0.000 2.365 332 L HA 0.711 5.318 4.340 0.445 0.000 0.273 332 L C -0.006 176.799 176.870 -0.108 0.000 1.000 332 L CA -0.690 54.068 54.840 -0.137 0.000 0.819 332 L CB 2.312 44.292 42.059 -0.132 0.000 1.284 332 L HN 0.192 nan 8.230 nan 0.000 0.418 333 T N 4.583 119.113 114.554 -0.040 0.000 2.812 333 T HA 0.560 5.177 4.350 0.445 0.000 0.282 333 T C -0.463 174.258 174.700 0.034 0.000 0.990 333 T CA -0.410 61.677 62.100 -0.022 0.000 0.960 333 T CB 1.466 70.324 68.868 -0.016 0.000 0.948 333 T HN 0.286 nan 8.240 nan 0.000 0.438 334 L N 2.912 124.166 121.223 0.053 0.000 2.334 334 L HA 0.538 5.145 4.340 0.445 0.000 0.276 334 L C -0.064 176.859 176.870 0.089 0.000 1.014 334 L CA -0.954 53.949 54.840 0.104 0.000 0.815 334 L CB 1.647 43.813 42.059 0.177 0.000 1.268 334 L HN 0.613 nan 8.230 nan 0.000 0.428 335 E N 1.889 122.139 120.200 0.084 0.000 3.012 335 E HA 0.523 5.140 4.350 0.445 0.000 0.228 335 E C 0.021 176.661 176.600 0.067 0.000 1.184 335 E CA -0.249 56.190 56.400 0.064 0.000 1.407 335 E CB 1.185 30.916 29.700 0.052 0.000 1.438 335 E HN 0.700 nan 8.360 nan 0.000 0.435 336 G N 0.555 109.402 108.800 0.078 0.000 2.506 336 G HA2 0.481 4.708 3.960 0.445 0.000 0.292 336 G HA3 0.481 4.708 3.960 0.445 0.000 0.292 336 G C -2.935 172.011 174.900 0.077 0.000 1.425 336 G CA -1.238 43.906 45.100 0.073 0.000 0.788 336 G HN -0.008 nan 8.290 nan 0.000 0.490 337 P HA 0.461 nan 4.420 nan 0.000 0.275 337 P C -0.579 176.763 177.300 0.069 0.000 1.227 337 P CA -0.374 62.763 63.100 0.062 0.000 0.781 337 P CB 1.511 33.242 31.700 0.051 0.000 0.906 338 V N 4.305 124.251 119.914 0.053 0.000 2.417 338 V HA 0.262 4.649 4.120 0.445 0.000 0.291 338 V C -0.077 176.032 176.094 0.025 0.000 1.024 338 V CA -0.690 61.621 62.300 0.019 0.000 0.861 338 V CB 1.443 33.225 31.823 -0.068 0.000 0.985 338 V HN 0.383 nan 8.190 nan 0.000 0.436 339 L N 4.623 125.891 121.223 0.076 0.000 2.264 339 L HA 0.585 5.192 4.340 0.445 0.000 0.289 339 L C -0.272 176.672 176.870 0.123 0.000 1.044 339 L CA 0.208 55.113 54.840 0.109 0.000 0.807 339 L CB 1.283 43.434 42.059 0.154 0.000 1.192 339 L HN 0.650 nan 8.230 nan 0.000 0.425 340 D N 5.109 125.554 120.400 0.075 0.000 2.359 340 D HA 0.242 5.150 4.640 0.445 0.000 0.230 340 D C -0.693 175.679 176.300 0.120 0.000 1.118 340 D CA -0.189 53.855 54.000 0.073 0.000 0.844 340 D CB 0.663 41.473 40.800 0.018 0.000 1.059 340 D HN 0.548 nan 8.370 nan 0.000 0.493 341 R N 3.042 123.660 120.500 0.198 0.000 2.310 341 R HA 0.486 5.093 4.340 0.445 0.000 0.316 341 R C 0.018 176.430 176.300 0.186 0.000 1.004 341 R CA -0.323 55.889 56.100 0.187 0.000 0.900 341 R CB 0.519 30.955 30.300 0.227 0.000 1.152 341 R HN 0.470 nan 8.270 nan 0.000 0.513 342 A N 2.856 125.743 122.820 0.111 0.000 2.822 342 A HA -0.207 4.380 4.320 0.445 0.000 0.287 342 A C 1.084 178.695 177.584 0.046 0.000 1.479 342 A CA 1.306 53.396 52.037 0.088 0.000 0.779 342 A CB -2.018 17.048 19.000 0.109 0.000 1.022 342 A HN 1.425 nan 8.150 nan 0.000 0.532 343 G N -2.486 106.315 108.800 0.001 0.000 2.234 343 G HA2 -0.238 3.989 3.960 0.445 0.000 0.235 343 G HA3 -0.238 3.989 3.960 0.445 0.000 0.235 343 G C -0.030 174.749 174.900 -0.200 0.000 0.997 343 G CA 0.482 45.511 45.100 -0.119 0.000 0.623 343 G HN 1.515 nan 8.290 nan 0.000 0.514 344 H N 0.654 119.728 119.070 0.005 0.000 2.604 344 H HA 0.522 5.345 4.556 0.445 0.000 0.306 344 H C 0.361 175.659 175.328 -0.051 0.000 1.075 344 H CA -0.066 55.992 56.048 0.017 0.000 1.357 344 H CB 1.004 30.782 29.762 0.025 0.000 1.426 344 H HN 0.184 nan 8.280 nan 0.000 0.470 345 L N 4.556 125.728 121.223 -0.084 0.000 2.309 345 L HA 0.349 4.956 4.340 0.445 0.000 0.282 345 L C -0.778 175.892 176.870 -0.333 0.000 1.036 345 L CA -0.704 54.028 54.840 -0.179 0.000 0.806 345 L CB 0.711 42.577 42.059 -0.321 0.000 1.220 345 L HN 0.501 nan 8.230 nan 0.000 0.429 346 Y N 2.395 122.750 120.300 0.091 0.000 2.425 346 Y HA 0.396 5.215 4.550 0.447 0.000 0.344 346 Y C -0.312 175.624 175.900 0.059 0.000 0.969 346 Y CA -0.833 57.342 58.100 0.125 0.000 1.052 346 Y CB 2.202 40.745 38.460 0.139 0.000 1.215 346 Y HN 0.342 nan 8.280 nan 0.000 0.451 347 L N 4.744 126.096 121.223 0.216 0.000 2.283 347 L HA 0.406 5.013 4.340 0.445 0.000 0.287 347 L C -0.958 176.004 176.870 0.154 0.000 1.073 347 L CA -0.048 54.885 54.840 0.155 0.000 0.822 347 L CB -0.075 42.071 42.059 0.145 0.000 1.186 347 L HN 0.533 nan 8.230 nan 0.000 0.436 348 L N 7.522 128.818 121.223 0.122 0.000 2.331 348 L HA 0.376 4.983 4.340 0.445 0.000 0.278 348 L C -1.841 175.075 176.870 0.077 0.000 1.106 348 L CA -1.893 53.005 54.840 0.096 0.000 0.824 348 L CB 0.380 42.483 42.059 0.073 0.000 1.142 348 L HN 0.492 nan 8.230 nan 0.000 0.443 349 P HA 0.027 nan 4.420 nan 0.000 0.271 349 P C -0.441 176.884 177.300 0.042 0.000 1.218 349 P CA -0.425 62.710 63.100 0.059 0.000 0.780 349 P CB 0.511 32.248 31.700 0.062 0.000 0.901 350 E N 1.269 121.489 120.200 0.032 0.000 2.452 350 E HA 0.194 4.812 4.350 0.445 0.000 0.261 350 E C 1.028 177.635 176.600 0.012 0.000 0.987 350 E CA 0.756 57.166 56.400 0.018 0.000 0.926 350 E CB -0.490 29.213 29.700 0.006 0.000 0.934 350 E HN 0.760 nan 8.360 nan 0.000 0.452 351 G N 3.440 112.249 108.800 0.014 0.000 2.162 351 G HA2 -0.305 3.922 3.960 0.445 0.000 0.260 351 G HA3 -0.305 3.922 3.960 0.445 0.000 0.260 351 G C 0.079 175.012 174.900 0.054 0.000 0.976 351 G CA 0.243 45.365 45.100 0.037 0.000 0.655 351 G HN 0.561 nan 8.290 nan 0.000 0.533 352 L N 3.107 124.338 121.223 0.014 0.000 2.615 352 L HA 0.427 5.034 4.340 0.445 0.000 0.271 352 L C -1.124 175.690 176.870 -0.093 0.000 1.183 352 L CA -1.302 53.523 54.840 -0.025 0.000 0.933 352 L CB 0.155 42.213 42.059 -0.001 0.000 1.199 352 L HN 0.073 nan 8.230 nan 0.000 0.487 353 P HA 0.059 nan 4.420 nan 0.000 0.274 353 P C -0.579 176.668 177.300 -0.087 0.000 1.246 353 P CA -0.538 62.371 63.100 -0.317 0.000 0.795 353 P CB 0.413 31.653 31.700 -0.766 0.000 1.006 354 T N 0.922 115.475 114.554 -0.003 0.000 2.908 354 T HA 0.051 4.668 4.350 0.445 0.000 0.301 354 T C 1.151 175.944 174.700 0.155 0.000 1.019 354 T CA 0.104 62.242 62.100 0.062 0.000 1.152 354 T CB -0.662 68.234 68.868 0.047 0.000 0.966 354 T HN 0.202 nan 8.240 nan 0.000 0.540 355 L N 4.704 125.991 121.223 0.106 0.000 2.628 355 L HA 0.292 4.899 4.340 0.445 0.000 0.229 355 L C 0.804 177.711 176.870 0.062 0.000 1.137 355 L CA -0.515 54.394 54.840 0.115 0.000 0.909 355 L CB -0.190 41.911 42.059 0.069 0.000 1.137 355 L HN 0.504 nan 8.230 nan 0.000 0.470 356 L N 1.670 122.922 121.223 0.049 0.000 2.601 356 L HA 0.135 4.742 4.340 0.445 0.000 0.277 356 L C 1.299 178.174 176.870 0.007 0.000 1.219 356 L CA 1.334 56.188 54.840 0.023 0.000 0.915 356 L CB 0.105 42.176 42.059 0.019 0.000 1.160 356 L HN 0.378 nan 8.230 nan 0.000 0.494 357 G N 3.744 112.542 108.800 -0.002 0.000 2.184 357 G HA2 -0.253 3.974 3.960 0.445 0.000 0.264 357 G HA3 -0.253 3.974 3.960 0.445 0.000 0.264 357 G C 0.074 174.959 174.900 -0.025 0.000 0.975 357 G CA 0.439 45.530 45.100 -0.015 0.000 0.642 357 G HN 0.611 nan 8.290 nan 0.000 0.536 358 L N -0.013 121.201 121.223 -0.015 0.000 2.329 358 L HA 0.514 5.121 4.340 0.445 0.000 0.279 358 L C 0.602 177.465 176.870 -0.013 0.000 1.014 358 L CA -1.030 53.798 54.840 -0.020 0.000 0.814 358 L CB 1.874 43.930 42.059 -0.005 0.000 1.257 358 L HN 0.093 nan 8.230 nan 0.000 0.424 359 K N 2.468 122.855 120.400 -0.021 0.000 2.379 359 K HA 0.470 5.057 4.320 0.445 0.000 0.284 359 K C -0.449 176.135 176.600 -0.026 0.000 1.044 359 K CA -0.107 56.165 56.287 -0.025 0.000 0.974 359 K CB 0.739 33.221 32.500 -0.029 0.000 0.962 359 K HN 0.726 nan 8.250 nan 0.000 0.474 360 A N 6.645 129.440 122.820 -0.042 0.000 2.763 360 A HA 0.339 4.926 4.320 0.445 0.000 0.325 360 A C -2.163 175.354 177.584 -0.111 0.000 1.209 360 A CA -1.406 50.595 52.037 -0.061 0.000 0.764 360 A CB 0.941 19.907 19.000 -0.057 0.000 1.120 360 A HN 0.643 nan 8.150 nan 0.000 0.463 361 P HA -0.099 nan 4.420 nan 0.000 0.217 361 P C 0.507 177.698 177.300 -0.180 0.000 1.148 361 P CA 2.160 65.186 63.100 -0.123 0.000 0.828 361 P CB 0.356 31.998 31.700 -0.097 0.000 0.783 362 A N -1.873 120.832 122.820 -0.192 0.000 2.569 362 A HA 0.471 5.059 4.320 0.445 0.000 0.282 362 A C -2.292 175.123 177.584 -0.281 0.000 1.165 362 A CA -1.055 50.813 52.037 -0.282 0.000 0.747 362 A CB 0.922 19.894 19.000 -0.046 0.000 1.215 362 A HN -0.122 nan 8.150 nan 0.000 0.431 363 P HA 0.078 nan 4.420 nan 0.000 0.222 363 P C 0.961 178.213 177.300 -0.080 0.000 1.147 363 P CA 1.859 64.808 63.100 -0.252 0.000 0.790 363 P CB 0.461 31.977 31.700 -0.306 0.000 0.780 364 G N -1.928 106.871 108.800 -0.002 0.000 2.570 364 G HA2 0.368 4.595 3.960 0.445 0.000 0.310 364 G HA3 0.368 4.595 3.960 0.445 0.000 0.310 364 G C -1.829 173.246 174.900 0.292 0.000 1.266 364 G CA -0.684 44.510 45.100 0.156 0.000 0.825 364 G HN 0.099 nan 8.290 nan 0.000 0.483 365 L N 0.981 122.354 121.223 0.251 0.000 2.559 365 L HA 0.411 5.018 4.340 0.445 0.000 0.274 365 L C -0.294 176.788 176.870 0.352 0.000 1.205 365 L CA -0.589 54.401 54.840 0.249 0.000 0.907 365 L CB -0.028 42.125 42.059 0.156 0.000 1.153 365 L HN 0.516 nan 8.230 nan 0.000 0.490 366 Y N 5.674 126.089 120.300 0.192 0.000 2.436 366 Y HA 0.221 5.040 4.550 0.448 0.000 0.336 366 Y C 0.491 176.379 175.900 -0.019 0.000 1.049 366 Y CA -0.407 57.708 58.100 0.023 0.000 1.294 366 Y CB 0.709 39.210 38.460 0.069 0.000 1.179 366 Y HN 0.744 nan 8.280 nan 0.000 0.520 367 L N 4.832 125.852 121.223 -0.337 0.000 2.298 367 L HA 0.386 4.993 4.340 0.445 0.000 0.209 367 L C 1.195 177.862 176.870 -0.338 0.000 1.084 367 L CA 0.694 55.429 54.840 -0.174 0.000 0.816 367 L CB -0.269 41.795 42.059 0.009 0.000 0.967 367 L HN 0.890 nan 8.230 nan 0.000 0.460 368 G N -0.014 108.260 108.800 -0.877 0.000 2.357 368 G HA2 0.024 4.251 3.960 0.445 0.000 0.289 368 G HA3 0.024 4.251 3.960 0.445 0.000 0.289 368 G C -1.816 172.691 174.900 -0.654 0.000 1.302 368 G CA -0.777 43.709 45.100 -1.025 0.000 0.936 368 G HN -0.099 nan 8.290 nan 0.000 0.513 369 K N -0.136 119.812 120.400 -0.752 0.000 2.345 369 K HA 0.662 5.249 4.320 0.445 0.000 0.255 369 K C -0.500 175.872 176.600 -0.381 0.000 0.934 369 K CA -0.720 55.288 56.287 -0.464 0.000 0.801 369 K CB 2.126 34.359 32.500 -0.444 0.000 1.137 369 K HN 0.440 nan 8.250 nan 0.000 0.424 370 V N 4.406 124.239 119.914 -0.134 0.000 2.455 370 V HA 0.149 4.536 4.120 0.445 0.000 0.273 370 V C -0.228 175.805 176.094 -0.101 0.000 1.045 370 V CA -0.023 62.272 62.300 -0.009 0.000 0.976 370 V CB 0.951 32.808 31.823 0.056 0.000 0.993 370 V HN 0.786 nan 8.190 nan 0.000 0.475 371 Q N 4.441 124.194 119.800 -0.079 0.000 2.350 371 Q HA 0.354 4.961 4.340 0.445 0.000 0.255 371 Q C -0.476 175.501 176.000 -0.038 0.000 0.951 371 Q CA -0.705 55.051 55.803 -0.079 0.000 0.751 371 Q CB 0.798 29.470 28.738 -0.110 0.000 1.296 371 Q HN 0.729 nan 8.270 nan 0.000 0.453 372 K N 2.548 122.934 120.400 -0.023 0.000 3.162 372 K HA -0.261 4.326 4.320 0.445 0.000 0.268 372 K C 0.513 177.116 176.600 0.006 0.000 1.062 372 K CA 0.631 56.913 56.287 -0.008 0.000 0.769 372 K CB -1.785 30.708 32.500 -0.011 0.000 1.274 372 K HN 1.157 nan 8.250 nan 0.000 0.478 373 G N -0.169 108.641 108.800 0.017 0.000 2.184 373 G HA2 -0.367 3.860 3.960 0.445 0.000 0.264 373 G HA3 -0.367 3.860 3.960 0.445 0.000 0.264 373 G C 0.016 174.948 174.900 0.053 0.000 0.975 373 G CA 0.839 45.960 45.100 0.035 0.000 0.642 373 G HN 0.419 nan 8.290 nan 0.000 0.536 374 R N -0.895 119.632 120.500 0.044 0.000 2.664 374 R HA 0.642 5.249 4.340 0.445 0.000 0.286 374 R C -0.998 175.355 176.300 0.088 0.000 0.967 374 R CA -0.891 55.245 56.100 0.059 0.000 0.933 374 R CB 1.345 31.652 30.300 0.013 0.000 1.146 374 R HN 0.121 nan 8.270 nan 0.000 0.468 375 F N 3.101 123.027 119.950 -0.041 0.000 2.404 375 F HA 0.336 5.127 4.527 0.440 0.000 0.354 375 F C -1.064 174.605 175.800 -0.218 0.000 1.122 375 F CA -1.026 56.911 58.000 -0.104 0.000 1.080 375 F CB 0.743 39.727 39.000 -0.027 0.000 1.131 375 F HN 0.199 nan 8.300 nan 0.000 0.471 376 L N 9.198 129.859 121.223 -0.937 0.000 2.272 376 L HA 0.426 5.033 4.340 0.445 0.000 0.284 376 L C -2.122 174.000 176.870 -1.247 0.000 1.045 376 L CA -2.564 51.789 54.840 -0.813 0.000 0.842 376 L CB 0.382 42.149 42.059 -0.487 0.000 1.224 376 L HN 0.420 nan 8.230 nan 0.000 0.430 377 P HA 0.172 nan 4.420 nan 0.000 0.272 377 P C -0.645 176.285 177.300 -0.617 0.000 1.223 377 P CA -0.408 62.017 63.100 -1.124 0.000 0.784 377 P CB 1.040 31.805 31.700 -1.557 0.000 0.923 378 A N 2.720 125.290 122.820 -0.415 0.000 2.316 378 A HA 0.235 4.822 4.320 0.445 0.000 0.284 378 A C 1.692 179.341 177.584 0.110 0.000 1.115 378 A CA -0.592 51.297 52.037 -0.248 0.000 0.812 378 A CB 0.097 18.735 19.000 -0.604 0.000 1.064 378 A HN 0.613 nan 8.150 nan 0.000 0.489 379 R N 1.384 121.956 120.500 0.119 0.000 2.105 379 R HA -0.188 4.419 4.340 0.445 0.000 0.239 379 R C 1.980 178.303 176.300 0.038 0.000 1.135 379 R CA 1.834 58.000 56.100 0.110 0.000 0.967 379 R CB -0.340 30.011 30.300 0.085 0.000 0.861 379 R HN 0.841 nan 8.270 nan 0.000 0.442 380 A N 1.034 123.893 122.820 0.064 0.000 1.933 380 A HA -0.176 4.411 4.320 0.445 0.000 0.218 380 A C 2.002 179.544 177.584 -0.070 0.000 1.175 380 A CA 1.250 53.312 52.037 0.042 0.000 0.628 380 A CB -0.532 18.559 19.000 0.151 0.000 0.814 380 A HN 0.392 nan 8.150 nan 0.000 0.444 381 L N -0.191 120.986 121.223 -0.077 0.000 2.017 381 L HA -0.042 4.565 4.340 0.445 0.000 0.208 381 L C 2.665 179.112 176.870 -0.705 0.000 1.073 381 L CA 2.239 56.951 54.840 -0.213 0.000 0.745 381 L CB -0.979 41.115 42.059 0.058 0.000 0.894 381 L HN 0.336 nan 8.230 nan 0.000 0.432 382 A N -0.463 122.046 122.820 -0.518 0.000 1.892 382 A HA -0.192 4.395 4.320 0.445 0.000 0.218 382 A C 2.162 179.415 177.584 -0.551 0.000 1.188 382 A CA 1.966 53.546 52.037 -0.761 0.000 0.631 382 A CB -0.943 17.636 19.000 -0.700 0.000 0.822 382 A HN 0.447 nan 8.150 nan 0.000 0.447 383 L N -0.918 120.106 121.223 -0.330 0.000 2.275 383 L HA -0.095 4.512 4.340 0.445 0.000 0.215 383 L C 2.808 179.519 176.870 -0.265 0.000 1.119 383 L CA 1.626 56.338 54.840 -0.213 0.000 0.790 383 L CB -1.454 40.542 42.059 -0.104 0.000 0.919 383 L HN 0.491 nan 8.230 nan 0.000 0.443 384 A N -0.864 121.734 122.820 -0.370 0.000 2.066 384 A HA -0.089 4.498 4.320 0.445 0.000 0.218 384 A C 0.738 178.127 177.584 -0.325 0.000 1.157 384 A CA 0.026 51.878 52.037 -0.308 0.000 0.670 384 A CB -0.421 18.425 19.000 -0.256 0.000 0.804 384 A HN 0.183 nan 8.150 nan 0.000 0.453 385 F N 0.052 119.779 119.950 -0.372 0.000 2.578 385 F HA 0.412 5.210 4.527 0.452 0.000 0.376 385 F C 1.729 176.934 175.800 -0.993 0.000 1.085 385 F CA 0.648 58.220 58.000 -0.714 0.000 1.260 385 F CB -0.268 38.175 39.000 -0.928 0.000 1.095 385 F HN 0.298 nan 8.300 nan 0.000 0.573 386 G N 1.221 109.582 108.800 -0.732 0.000 2.212 386 G HA2 -0.268 3.959 3.960 0.445 0.000 0.266 386 G HA3 -0.268 3.959 3.960 0.445 0.000 0.266 386 G C 0.857 175.710 174.900 -0.077 0.000 0.978 386 G CA 0.642 45.536 45.100 -0.344 0.000 0.632 386 G HN 1.077 nan 8.290 nan 0.000 0.537 387 A N -0.928 121.813 122.820 -0.131 0.000 2.010 387 A HA 0.591 5.178 4.320 0.445 0.000 0.210 387 A C 2.146 179.697 177.584 -0.055 0.000 1.479 387 A CA 2.176 54.160 52.037 -0.089 0.000 0.748 387 A CB -0.165 18.744 19.000 -0.151 0.000 1.125 387 A HN 1.371 nan 8.150 nan 0.000 0.522 388 T N -3.183 111.338 114.554 -0.056 0.000 3.016 388 T HA 0.585 5.202 4.350 0.445 0.000 0.271 388 T C 0.119 174.825 174.700 0.010 0.000 0.968 388 T CA -0.188 61.906 62.100 -0.011 0.000 0.891 388 T CB -0.149 68.721 68.868 0.003 0.000 1.149 388 T HN 0.131 nan 8.240 nan 0.000 0.524 389 L N 1.265 122.490 121.223 0.003 0.000 2.333 389 L HA 0.634 5.241 4.340 0.445 0.000 0.263 389 L C -2.754 174.161 176.870 0.075 0.000 1.014 389 L CA -2.965 51.919 54.840 0.075 0.000 0.820 389 L CB 2.399 44.543 42.059 0.142 0.000 1.352 389 L HN -0.148 nan 8.230 nan 0.000 0.421 390 P HA 0.039 nan 4.420 nan 0.000 0.272 390 P C -1.201 176.109 177.300 0.018 0.000 1.223 390 P CA -0.325 62.822 63.100 0.080 0.000 0.784 390 P CB 0.327 32.074 31.700 0.077 0.000 0.923 391 W N 2.815 124.072 121.300 -0.071 0.000 2.158 391 W HA 0.221 5.146 4.660 0.441 0.000 0.339 391 W C -1.743 174.532 176.519 -0.408 0.000 1.294 391 W CA -1.138 56.031 57.345 -0.292 0.000 1.231 391 W CB -0.886 28.461 29.460 -0.187 0.000 1.143 391 W HN 0.303 nan 8.180 nan 0.000 0.571 392 P HA 0.057 nan 4.420 nan 0.000 0.281 392 P C 0.203 177.422 177.300 -0.136 0.000 1.286 392 P CA -0.000 62.910 63.100 -0.315 0.000 0.772 392 P CB 1.008 32.451 31.700 -0.428 0.000 0.862 393 E N 2.196 122.336 120.200 -0.101 0.000 2.481 393 E HA 0.019 4.636 4.350 0.445 0.000 0.195 393 E C 1.876 178.428 176.600 -0.079 0.000 1.047 393 E CA 0.524 56.877 56.400 -0.077 0.000 0.867 393 E CB -0.252 29.410 29.700 -0.063 0.000 0.858 393 E HN 0.584 nan 8.360 nan 0.000 0.513 394 G N 0.261 109.005 108.800 -0.094 0.000 2.744 394 G HA2 0.100 4.327 3.960 0.445 0.000 0.211 394 G HA3 0.100 4.327 3.960 0.445 0.000 0.211 394 G C 0.722 175.589 174.900 -0.055 0.000 1.146 394 G CA -0.197 44.854 45.100 -0.080 0.000 0.787 394 G HN 0.061 nan 8.290 nan 0.000 0.534 395 L N 1.409 122.604 121.223 -0.047 0.000 2.334 395 L HA 0.350 4.957 4.340 0.445 0.000 0.277 395 L C -2.162 174.687 176.870 -0.035 0.000 1.075 395 L CA -1.997 52.841 54.840 -0.003 0.000 0.804 395 L CB 1.474 43.577 42.059 0.073 0.000 1.174 395 L HN -0.118 nan 8.230 nan 0.000 0.438 396 P HA 0.130 nan 4.420 nan 0.000 0.268 396 P C -0.887 176.324 177.300 -0.148 0.000 1.205 396 P CA -0.159 62.840 63.100 -0.167 0.000 0.771 396 P CB 0.480 31.921 31.700 -0.431 0.000 0.858 397 R N 2.916 123.337 120.500 -0.132 0.000 2.310 397 R HA 0.459 5.066 4.340 0.445 0.000 0.324 397 R C -0.842 175.398 176.300 -0.100 0.000 0.955 397 R CA -0.527 55.514 56.100 -0.098 0.000 0.830 397 R CB 0.321 30.555 30.300 -0.110 0.000 1.154 397 R HN 0.473 nan 8.270 nan 0.000 0.458 398 L N 3.643 124.800 121.223 -0.111 0.000 2.296 398 L HA 0.618 5.225 4.340 0.445 0.000 0.286 398 L C -0.077 176.758 176.870 -0.059 0.000 1.023 398 L CA -0.872 53.922 54.840 -0.075 0.000 0.812 398 L CB 1.854 43.764 42.059 -0.249 0.000 1.223 398 L HN 0.632 nan 8.230 nan 0.000 0.421 399 A N 5.279 128.112 122.820 0.021 0.000 2.312 399 A HA 0.885 5.472 4.320 0.445 0.000 0.326 399 A C -0.673 176.935 177.584 0.039 0.000 1.172 399 A CA -0.448 51.595 52.037 0.010 0.000 0.821 399 A CB 0.940 19.940 19.000 0.001 0.000 1.166 399 A HN 0.688 nan 8.150 nan 0.000 0.493 400 L N 1.563 122.797 121.223 0.020 0.000 2.381 400 L HA 0.561 5.169 4.340 0.445 0.000 0.268 400 L C 0.598 177.501 176.870 0.055 0.000 0.997 400 L CA -0.802 54.059 54.840 0.034 0.000 0.818 400 L CB 2.544 44.603 42.059 -0.001 0.000 1.310 400 L HN 0.884 nan 8.230 nan 0.000 0.416 401 T N -2.158 112.426 114.554 0.050 0.000 2.899 401 T HA 0.334 4.951 4.350 0.445 0.000 0.284 401 T C -2.071 172.657 174.700 0.046 0.000 1.004 401 T CA -1.769 60.367 62.100 0.060 0.000 1.043 401 T CB 1.490 70.381 68.868 0.038 0.000 1.013 401 T HN 0.333 nan 8.240 nan 0.000 0.518 402 P HA 0.032 nan 4.420 nan 0.000 0.223 402 P C 0.929 178.149 177.300 -0.133 0.000 1.151 402 P CA 0.734 63.793 63.100 -0.068 0.000 0.787 402 P CB 0.052 31.685 31.700 -0.111 0.000 0.788 403 E N -0.715 119.447 120.200 -0.064 0.000 2.285 403 E HA -0.062 4.555 4.350 0.445 0.000 0.194 403 E C 0.687 177.260 176.600 -0.046 0.000 0.997 403 E CA 0.491 56.854 56.400 -0.062 0.000 0.845 403 E CB -0.716 28.965 29.700 -0.033 0.000 0.782 403 E HN 0.217 nan 8.360 nan 0.000 0.491 404 D N 0.107 120.491 120.400 -0.027 0.000 2.343 404 D HA 0.027 4.934 4.640 0.445 0.000 0.255 404 D C -1.791 174.502 176.300 -0.012 0.000 1.187 404 D CA -2.260 51.735 54.000 -0.007 0.000 0.875 404 D CB 1.274 42.083 40.800 0.014 0.000 1.136 404 D HN -0.162 nan 8.370 nan 0.000 0.469 405 P HA -0.058 nan 4.420 nan 0.000 0.221 405 P C 1.115 178.426 177.300 0.019 0.000 1.145 405 P CA 0.830 63.927 63.100 -0.005 0.000 0.795 405 P CB 0.260 31.962 31.700 0.003 0.000 0.775 406 R N -0.434 120.089 120.500 0.040 0.000 2.152 406 R HA -0.030 4.577 4.340 0.445 0.000 0.232 406 R C 2.204 178.561 176.300 0.095 0.000 1.117 406 R CA 1.240 57.386 56.100 0.075 0.000 0.981 406 R CB -0.837 29.516 30.300 0.089 0.000 0.870 406 R HN 0.167 nan 8.270 nan 0.000 0.451 407 A N 1.339 124.195 122.820 0.060 0.000 1.858 407 A HA -0.180 4.407 4.320 0.445 0.000 0.216 407 A C 2.060 179.707 177.584 0.105 0.000 1.190 407 A CA 1.173 53.259 52.037 0.081 0.000 0.617 407 A CB -0.496 18.533 19.000 0.048 0.000 0.827 407 A HN 0.237 nan 8.150 nan 0.000 0.443 408 L N -0.340 120.902 121.223 0.031 0.000 2.056 408 L HA -0.004 4.603 4.340 0.445 0.000 0.207 408 L C 2.683 179.525 176.870 -0.047 0.000 1.078 408 L CA 2.118 56.948 54.840 -0.016 0.000 0.749 408 L CB -0.889 41.147 42.059 -0.039 0.000 0.901 408 L HN 0.359 nan 8.230 nan 0.000 0.433 409 A N -0.724 122.100 122.820 0.007 0.000 1.865 409 A HA -0.300 4.287 4.320 0.445 0.000 0.217 409 A C 2.321 179.919 177.584 0.024 0.000 1.191 409 A CA 2.064 54.104 52.037 0.006 0.000 0.623 409 A CB -1.332 17.694 19.000 0.043 0.000 0.826 409 A HN 0.548 nan 8.150 nan 0.000 0.444 410 F N 0.965 120.890 119.950 -0.042 0.000 2.126 410 F HA -0.098 4.700 4.527 0.451 0.000 0.299 410 F C 2.452 178.221 175.800 -0.052 0.000 1.096 410 F CA 1.494 59.475 58.000 -0.031 0.000 1.255 410 F CB -0.309 38.686 39.000 -0.009 0.000 0.997 410 F HN 0.233 nan 8.300 nan 0.000 0.479 411 A N -0.818 122.053 122.820 0.085 0.000 2.121 411 A HA -0.120 4.467 4.320 0.445 0.000 0.218 411 A C 1.823 179.242 177.584 -0.276 0.000 1.154 411 A CA 1.760 53.779 52.037 -0.030 0.000 0.679 411 A CB -1.343 17.702 19.000 0.074 0.000 0.795 411 A HN 0.499 nan 8.150 nan 0.000 0.458 412 T N -5.183 109.170 114.554 -0.336 0.000 3.176 412 T HA 0.465 5.082 4.350 0.445 0.000 0.263 412 T C 1.047 175.626 174.700 -0.201 0.000 1.021 412 T CA 0.838 62.732 62.100 -0.344 0.000 0.905 412 T CB 0.221 68.850 68.868 -0.398 0.000 1.057 412 T HN 1.560 nan 8.240 nan 0.000 0.558 413 G N 1.135 109.794 108.800 -0.236 0.000 2.144 413 G HA2 -0.178 4.050 3.960 0.445 0.000 0.218 413 G HA3 -0.178 4.050 3.960 0.445 0.000 0.218 413 G C -0.389 174.415 174.900 -0.161 0.000 0.988 413 G CA -0.406 44.567 45.100 -0.212 0.000 0.659 413 G HN 0.625 nan 8.290 nan 0.000 0.522 414 E N 0.238 120.360 120.200 -0.131 0.000 2.231 414 E HA 0.528 5.145 4.350 0.445 0.000 0.277 414 E C 0.888 177.484 176.600 -0.007 0.000 0.999 414 E CA -0.340 56.029 56.400 -0.051 0.000 0.827 414 E CB 1.393 31.084 29.700 -0.016 0.000 1.101 414 E HN 0.341 nan 8.360 nan 0.000 0.393 415 G N 0.939 109.754 108.800 0.025 0.000 2.483 415 G HA2 0.372 4.599 3.960 0.445 0.000 0.248 415 G HA3 0.372 4.599 3.960 0.445 0.000 0.248 415 G C -0.104 174.866 174.900 0.117 0.000 1.248 415 G CA -0.368 44.783 45.100 0.085 0.000 0.838 415 G HN 0.305 nan 8.290 nan 0.000 0.566 416 V N -0.648 119.367 119.914 0.168 0.000 3.001 416 V HA 0.897 5.285 4.120 0.445 0.000 0.314 416 V C 0.448 176.650 176.094 0.180 0.000 1.099 416 V CA -0.960 61.437 62.300 0.161 0.000 0.989 416 V CB 1.329 33.261 31.823 0.182 0.000 1.040 416 V HN 1.340 nan 8.190 nan 0.000 0.434 417 A N 3.108 126.024 122.820 0.159 0.000 2.462 417 A HA 0.479 5.066 4.320 0.445 0.000 0.243 417 A C -0.467 177.283 177.584 0.278 0.000 1.076 417 A CA -0.258 51.883 52.037 0.173 0.000 0.773 417 A CB 0.152 19.214 19.000 0.104 0.000 1.010 417 A HN 1.422 nan 8.150 nan 0.000 0.493 418 W N 2.667 123.984 121.300 0.028 0.000 2.900 418 W HA 0.417 5.313 4.660 0.392 0.000 0.336 418 W C -0.890 175.640 176.519 0.019 0.000 1.064 418 W CA -0.522 56.838 57.345 0.025 0.000 1.237 418 W CB 1.699 31.183 29.460 0.040 0.000 1.391 418 W HN 0.879 nan 8.180 nan 0.000 0.468 419 E N 2.830 122.587 120.200 -0.738 0.000 2.447 419 E HA 0.172 4.789 4.350 0.445 0.000 0.195 419 E C 1.302 177.469 176.600 -0.722 0.000 1.028 419 E CA 0.196 56.249 56.400 -0.579 0.000 0.876 419 E CB 0.558 30.008 29.700 -0.417 0.000 0.885 419 E HN 0.408 nan 8.360 nan 0.000 0.500 420 G N 0.323 108.285 108.800 -1.397 0.000 2.531 420 G HA2 0.208 4.435 3.960 0.445 0.000 0.281 420 G HA3 0.208 4.435 3.960 0.445 0.000 0.281 420 G C -0.035 174.819 174.900 -0.076 0.000 1.382 420 G CA -0.645 44.067 45.100 -0.646 0.000 1.045 420 G HN -0.123 nan 8.290 nan 0.000 0.533 421 E N 0.209 120.482 120.200 0.122 0.000 2.342 421 E HA 0.158 4.775 4.350 0.445 0.000 0.257 421 E C -0.668 175.942 176.600 0.017 0.000 1.150 421 E CA -0.391 56.026 56.400 0.029 0.000 0.926 421 E CB 0.522 30.173 29.700 -0.082 0.000 1.074 421 E HN 0.289 nan 8.360 nan 0.000 0.449 422 D N 1.180 121.527 120.400 -0.089 0.000 2.414 422 D HA 0.132 5.039 4.640 0.445 0.000 0.242 422 D C -0.275 175.798 176.300 -0.378 0.000 1.129 422 D CA 0.626 54.567 54.000 -0.097 0.000 0.885 422 D CB 0.349 41.129 40.800 -0.034 0.000 1.198 422 D HN 0.212 nan 8.370 nan 0.000 0.437 423 H N 1.434 120.547 119.070 0.071 0.000 3.108 423 H HA 0.179 4.767 4.556 0.053 0.000 0.329 423 H C -1.847 173.501 175.328 0.032 0.000 0.978 423 H CA -1.375 54.700 56.048 0.045 0.000 1.413 423 H CB 1.980 31.755 29.762 0.022 0.000 1.670 423 H HN 0.114 nan 8.280 nan 0.000 0.512 424 P HA -0.105 nan 4.420 nan 0.000 0.218 424 P C -0.047 177.320 177.300 0.112 0.000 1.149 424 P CA 0.789 63.949 63.100 0.100 0.000 0.817 424 P CB 0.687 32.436 31.700 0.082 0.000 0.785 425 L N -1.786 119.523 121.223 0.142 0.000 2.516 425 L HA 0.713 5.320 4.340 0.445 0.000 0.267 425 L C -1.487 175.486 176.870 0.172 0.000 0.957 425 L CA -1.014 53.923 54.840 0.161 0.000 0.860 425 L CB 1.378 43.531 42.059 0.158 0.000 1.265 425 L HN -0.163 nan 8.230 nan 0.000 0.403 426 A N 3.835 126.767 122.820 0.186 0.000 2.527 426 A HA 0.837 5.424 4.320 0.445 0.000 0.293 426 A C -2.032 175.675 177.584 0.204 0.000 1.117 426 A CA -0.606 51.490 52.037 0.099 0.000 0.723 426 A CB 1.647 20.590 19.000 -0.096 0.000 1.313 426 A HN 0.730 nan 8.150 nan 0.000 0.411 427 L N 1.566 122.856 121.223 0.113 0.000 2.265 427 L HA 0.617 5.224 4.340 0.445 0.000 0.289 427 L C -0.806 176.070 176.870 0.010 0.000 1.033 427 L CA -0.225 54.666 54.840 0.085 0.000 0.814 427 L CB 1.164 43.292 42.059 0.115 0.000 1.203 427 L HN 0.409 nan 8.230 nan 0.000 0.423 428 V N 6.084 125.993 119.914 -0.008 0.000 2.439 428 V HA 0.599 4.986 4.120 0.445 0.000 0.282 428 V C -0.021 176.070 176.094 -0.005 0.000 1.039 428 V CA -0.359 61.859 62.300 -0.135 0.000 0.913 428 V CB 1.504 33.035 31.823 -0.487 0.000 0.983 428 V HN 0.663 nan 8.190 nan 0.000 0.460 429 V N 3.591 123.505 119.914 -0.000 0.000 3.001 429 V HA 0.729 5.116 4.120 0.445 0.000 0.314 429 V C -0.853 175.298 176.094 0.095 0.000 1.099 429 V CA -1.178 61.187 62.300 0.109 0.000 0.989 429 V CB 2.024 33.928 31.823 0.134 0.000 1.040 429 V HN 0.607 nan 8.190 nan 0.000 0.434 430 L N 2.777 124.115 121.223 0.191 0.000 2.265 430 L HA 0.536 5.143 4.340 0.445 0.000 0.288 430 L C 0.167 177.156 176.870 0.197 0.000 1.058 430 L CA -0.022 54.952 54.840 0.223 0.000 0.809 430 L CB 0.793 43.066 42.059 0.356 0.000 1.179 430 L HN 0.936 nan 8.230 nan 0.000 0.429 431 K N 3.574 124.050 120.400 0.128 0.000 2.262 431 K HA 0.491 5.078 4.320 0.445 0.000 0.282 431 K C -0.418 176.259 176.600 0.128 0.000 1.066 431 K CA -0.257 56.072 56.287 0.071 0.000 0.901 431 K CB 0.556 33.067 32.500 0.020 0.000 1.089 431 K HN 0.821 nan 8.250 nan 0.000 0.476 432 T N 0.030 114.661 114.554 0.128 0.000 2.888 432 T HA 0.470 5.087 4.350 0.445 0.000 0.288 432 T C 0.923 175.672 174.700 0.083 0.000 1.063 432 T CA -0.518 61.690 62.100 0.180 0.000 1.010 432 T CB 1.646 70.709 68.868 0.326 0.000 1.214 432 T HN 0.397 nan 8.240 nan 0.000 0.533 433 A N 0.054 122.920 122.820 0.078 0.000 2.172 433 A HA 0.444 5.031 4.320 0.445 0.000 0.216 433 A C 2.090 179.691 177.584 0.028 0.000 1.154 433 A CA 1.153 53.209 52.037 0.031 0.000 0.701 433 A CB -1.096 17.914 19.000 0.016 0.000 0.789 433 A HN 1.282 nan 8.150 nan 0.000 0.465 434 A N -1.503 121.361 122.820 0.074 0.000 2.387 434 A HA 0.537 5.124 4.320 0.445 0.000 0.234 434 A C 1.099 178.704 177.584 0.036 0.000 1.253 434 A CA 0.915 53.012 52.037 0.100 0.000 0.894 434 A CB -0.577 18.532 19.000 0.183 0.000 0.963 434 A HN 1.916 nan 8.150 nan 0.000 0.508 435 G N -0.723 108.018 108.800 -0.097 0.000 2.353 435 G HA2 0.063 4.290 3.960 0.445 0.000 0.615 435 G HA3 0.063 4.290 3.960 0.445 0.000 0.615 435 G C -1.088 173.469 174.900 -0.572 0.000 1.280 435 G CA -0.790 44.113 45.100 -0.329 0.000 1.000 435 G HN 0.262 nan 8.290 nan 0.000 0.516 436 E N -0.595 119.234 120.200 -0.618 0.000 2.216 436 E HA 0.622 5.239 4.350 0.445 0.000 0.279 436 E C -1.141 175.131 176.600 -0.547 0.000 0.997 436 E CA -0.314 55.809 56.400 -0.462 0.000 0.817 436 E CB 1.354 30.863 29.700 -0.320 0.000 1.096 436 E HN 0.292 nan 8.360 nan 0.000 0.393 437 F N 2.866 122.964 119.950 0.247 0.000 2.529 437 F HA 0.321 5.116 4.527 0.448 0.000 0.320 437 F C -2.155 173.797 175.800 0.253 0.000 1.118 437 F CA -2.813 55.344 58.000 0.263 0.000 0.915 437 F CB 1.507 40.587 39.000 0.134 0.000 1.161 437 F HN 0.231 nan 8.300 nan 0.000 0.445 438 P HA 0.181 nan 4.420 nan 0.000 0.271 438 P C -0.006 177.402 177.300 0.179 0.000 1.216 438 P CA 0.048 63.285 63.100 0.230 0.000 0.776 438 P CB 1.688 33.414 31.700 0.044 0.000 0.881 439 L N 0.400 121.732 121.223 0.182 0.000 2.515 439 L HA 0.354 4.961 4.340 0.445 0.000 0.202 439 L C 0.865 177.853 176.870 0.196 0.000 1.056 439 L CA 0.798 55.775 54.840 0.229 0.000 0.847 439 L CB 0.089 42.355 42.059 0.345 0.000 1.131 439 L HN 0.399 nan 8.230 nan 0.000 0.484 440 D N -2.448 118.074 120.400 0.205 0.000 2.807 440 D HA 0.202 5.109 4.640 0.445 0.000 0.279 440 D C -1.437 174.905 176.300 0.071 0.000 1.247 440 D CA -0.557 53.513 54.000 0.117 0.000 0.749 440 D CB 1.029 41.912 40.800 0.139 0.000 1.264 440 D HN -0.292 nan 8.370 nan 0.000 0.421 441 F N 0.555 120.627 119.950 0.203 0.000 2.418 441 F HA 0.572 5.358 4.527 0.432 0.000 0.341 441 F C 1.469 177.405 175.800 0.227 0.000 1.120 441 F CA 0.702 58.821 58.000 0.199 0.000 1.232 441 F CB 1.341 40.424 39.000 0.138 0.000 1.175 441 F HN 0.245 nan 8.300 nan 0.000 0.569 442 G N 1.564 110.596 108.800 0.388 0.000 2.642 442 G HA2 0.580 4.807 3.960 0.445 0.000 0.293 442 G HA3 0.580 4.807 3.960 0.445 0.000 0.293 442 G C -1.993 173.006 174.900 0.166 0.000 1.341 442 G CA -0.958 44.329 45.100 0.311 0.000 0.916 442 G HN 0.562 nan 8.290 nan 0.000 0.474 443 K N 0.009 120.475 120.400 0.110 0.000 2.426 443 K HA 0.682 5.269 4.320 0.445 0.000 0.254 443 K C -0.672 175.930 176.600 0.003 0.000 0.936 443 K CA -0.683 55.643 56.287 0.065 0.000 0.801 443 K CB 1.774 34.312 32.500 0.064 0.000 1.139 443 K HN 0.650 nan 8.250 nan 0.000 0.424 444 A N 4.500 127.305 122.820 -0.025 0.000 2.276 444 A HA 0.465 5.052 4.320 0.445 0.000 0.316 444 A C -1.033 176.577 177.584 0.043 0.000 1.229 444 A CA -0.559 51.425 52.037 -0.089 0.000 0.851 444 A CB 0.630 19.476 19.000 -0.256 0.000 1.165 444 A HN 0.744 nan 8.150 nan 0.000 0.513 445 K N 2.468 122.916 120.400 0.080 0.000 2.581 445 K HA 0.343 4.930 4.320 0.445 0.000 0.249 445 K C -0.488 176.176 176.600 0.106 0.000 0.966 445 K CA -0.712 55.626 56.287 0.084 0.000 0.811 445 K CB 0.703 33.237 32.500 0.057 0.000 1.223 445 K HN 0.692 nan 8.250 nan 0.000 0.438 446 R N 2.276 122.837 120.500 0.102 0.000 3.251 446 R HA -0.214 4.393 4.340 0.445 0.000 0.249 446 R C 0.463 176.831 176.300 0.112 0.000 0.949 446 R CA 1.162 57.315 56.100 0.087 0.000 0.645 446 R CB -2.195 28.140 30.300 0.059 0.000 1.065 446 R HN 1.231 nan 8.270 nan 0.000 0.452 447 G N -2.059 106.847 108.800 0.177 0.000 2.159 447 G HA2 -0.326 3.901 3.960 0.445 0.000 0.256 447 G HA3 -0.326 3.901 3.960 0.445 0.000 0.256 447 G C 0.055 175.096 174.900 0.235 0.000 0.977 447 G CA 0.108 45.321 45.100 0.189 0.000 0.652 447 G HN 0.357 nan 8.290 nan 0.000 0.531 448 V N 0.665 120.712 119.914 0.222 0.000 2.588 448 V HA 0.736 5.123 4.120 0.445 0.000 0.304 448 V C -0.215 175.961 176.094 0.136 0.000 1.042 448 V CA -0.927 61.481 62.300 0.181 0.000 0.877 448 V CB 1.846 33.737 31.823 0.114 0.000 0.996 448 V HN 0.478 nan 8.190 nan 0.000 0.425 449 L N 6.192 127.484 121.223 0.114 0.000 2.280 449 L HA 0.659 5.266 4.340 0.445 0.000 0.287 449 L C -0.149 176.806 176.870 0.142 0.000 1.023 449 L CA 0.045 54.868 54.840 -0.030 0.000 0.819 449 L CB 0.986 42.887 42.059 -0.264 0.000 1.212 449 L HN 0.608 nan 8.230 nan 0.000 0.420 450 R N 6.088 126.676 120.500 0.146 0.000 2.562 450 R HA 0.564 5.171 4.340 0.445 0.000 0.298 450 R C -2.543 173.852 176.300 0.157 0.000 0.961 450 R CA -1.906 54.276 56.100 0.136 0.000 0.881 450 R CB 1.664 31.998 30.300 0.056 0.000 1.159 450 R HN 0.471 nan 8.270 nan 0.000 0.450 451 P HA 0.021 nan 4.420 nan 0.000 0.276 451 P C 0.363 177.597 177.300 -0.110 0.000 1.235 451 P CA -0.076 62.796 63.100 -0.381 0.000 0.772 451 P CB 1.231 32.359 31.700 -0.953 0.000 0.871 452 V N -0.112 119.812 119.914 0.017 0.000 3.398 452 V HA 0.401 4.788 4.120 0.445 0.000 0.298 452 V C 0.842 176.957 176.094 0.035 0.000 1.496 452 V CA 0.273 62.587 62.300 0.024 0.000 1.044 452 V CB -0.244 31.602 31.823 0.038 0.000 0.880 452 V HN 0.508 nan 8.190 nan 0.000 0.443 453 G N 2.179 111.048 108.800 0.115 0.000 2.265 453 G HA2 0.381 4.608 3.960 0.445 0.000 0.240 453 G HA3 0.381 4.608 3.960 0.445 0.000 0.240 453 G C 0.087 175.010 174.900 0.040 0.000 1.270 453 G CA 0.626 45.814 45.100 0.146 0.000 0.901 453 G HN 1.219 nan 8.290 nan 0.000 0.507 454 V N 1.817 121.718 119.914 -0.021 0.000 2.686 454 V HA 0.716 5.103 4.120 0.445 0.000 0.295 454 V C 0.990 177.185 176.094 0.167 0.000 1.055 454 V CA -0.392 61.931 62.300 0.039 0.000 1.050 454 V CB 0.838 32.663 31.823 0.004 0.000 0.984 454 V HN 0.851 nan 8.190 nan 0.000 0.482 455 G N 3.254 112.166 108.800 0.186 0.000 2.444 455 G HA2 0.487 4.714 3.960 0.445 0.000 0.268 455 G HA3 0.487 4.714 3.960 0.445 0.000 0.268 455 G C -0.665 174.374 174.900 0.231 0.000 1.203 455 G CA -0.752 44.457 45.100 0.181 0.000 0.835 455 G HN 1.036 nan 8.290 nan 0.000 0.543 456 L N 2.472 123.801 121.223 0.176 0.000 2.325 456 L HA 0.480 5.087 4.340 0.445 0.000 0.284 456 L C 0.039 176.853 176.870 -0.092 0.000 1.089 456 L CA -0.282 54.586 54.840 0.047 0.000 0.836 456 L CB -0.114 42.021 42.059 0.126 0.000 1.184 456 L HN 0.384 nan 8.230 nan 0.000 0.444 457 R N 2.792 123.125 120.500 -0.279 0.000 2.808 457 R HA 0.382 4.990 4.340 0.445 0.000 0.272 457 R C -0.853 175.073 176.300 -0.622 0.000 0.995 457 R CA -0.855 54.997 56.100 -0.413 0.000 0.917 457 R CB 1.674 31.701 30.300 -0.456 0.000 1.217 457 R HN 0.528 nan 8.270 nan 0.000 0.471 458 S N 1.006 116.443 115.700 -0.438 0.000 2.416 458 S HA 0.247 4.984 4.470 0.445 0.000 0.287 458 S C -0.523 173.841 174.600 -0.393 0.000 1.139 458 S CA -0.238 57.758 58.200 -0.340 0.000 1.058 458 S CB -0.222 62.871 63.200 -0.179 0.000 0.967 458 S HN 0.420 nan 8.310 nan 0.000 0.495 459 H N 0.000 118.984 119.070 -0.143 0.000 2.539 459 H HA 0.000 4.823 4.556 0.445 0.000 0.296 459 H CA 0.000 55.972 56.048 -0.127 0.000 1.023 459 H CB 0.000 29.637 29.762 -0.208 0.000 1.292 459 H HN 0.000 nan 8.280 nan 0.000 0.496