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 3m6x_1_A DATA FIRST_RESID 2 DATA SEQUENCE LPKAFLSRXA ELLGEEFPAF LKALTEGKRT YGLRVNTLKL PPEAFQRISP DATA SEQUENCE WPLRPIPWCQ EGFYYPEEAR PGPHPFFYAG LYYIQEPSAQ AVGVLLDPKP DATA SEQUENCE GERVLDLAAA PGGKTTHLAA RXGGKGLLLA NEVDGKRVRG LLENVERWGA DATA SEQUENCE PLAVTQAPPR ALAEAFGTYF HRVLLDAPCS GEGXFRKDRE AARHWGPSAP DATA SEQUENCE KRXAEVQKAL 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 VGVGLRSHH 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 0.000 176.724 176.870 -0.244 0.000 1.165 2 L CA 0.000 54.647 54.840 -0.322 0.000 0.813 2 L CB 0.000 42.018 42.059 -0.068 0.000 0.961 3 P HA 0.165 nan 4.420 nan 0.000 0.271 3 P C 0.259 177.566 177.300 0.012 0.000 1.216 3 P CA -0.615 62.404 63.100 -0.134 0.000 0.771 3 P CB 0.739 32.339 31.700 -0.167 0.000 0.864 4 K N 2.054 122.486 120.400 0.054 0.000 2.097 4 K HA -0.137 4.189 4.320 0.009 0.000 0.206 4 K C 1.565 178.221 176.600 0.093 0.000 1.049 4 K CA 1.516 57.842 56.287 0.065 0.000 0.933 4 K CB -0.774 31.756 32.500 0.049 0.000 0.717 4 K HN 0.328 nan 8.250 nan 0.000 0.442 5 A N 0.989 123.917 122.820 0.179 0.000 2.015 5 A HA -0.054 4.271 4.320 0.009 0.000 0.219 5 A C 1.913 179.656 177.584 0.265 0.000 1.163 5 A CA 0.791 52.978 52.037 0.251 0.000 0.646 5 A CB -0.691 18.540 19.000 0.384 0.000 0.806 5 A HN 0.511 nan 8.150 nan 0.000 0.448 6 F N 0.707 120.590 119.950 -0.112 0.000 2.146 6 F HA -0.097 4.437 4.527 0.012 0.000 0.298 6 F C 1.781 177.561 175.800 -0.034 0.000 1.096 6 F CA 1.580 59.385 58.000 -0.325 0.000 1.275 6 F CB -0.267 38.232 39.000 -0.834 0.000 1.008 6 F HN 0.136 nan 8.300 nan 0.000 0.480 7 L N 0.127 121.290 121.223 -0.101 0.000 2.056 7 L HA -0.200 4.146 4.340 0.009 0.000 0.207 7 L C 2.777 179.509 176.870 -0.230 0.000 1.078 7 L CA 1.447 56.231 54.840 -0.094 0.000 0.749 7 L CB -1.121 41.009 42.059 0.119 0.000 0.901 7 L HN 0.331 nan 8.230 nan 0.000 0.433 8 S N -0.299 115.309 115.700 -0.153 0.000 2.368 8 S HA -0.183 4.292 4.470 0.009 0.000 0.225 8 S C 1.436 175.901 174.600 -0.226 0.000 1.030 8 S CA 0.234 58.318 58.200 -0.192 0.000 0.999 8 S CB -0.275 62.875 63.200 -0.083 0.000 0.844 8 S HN 0.258 nan 8.310 nan 0.000 0.459 12 E N 0.578 120.595 120.200 -0.305 0.000 2.072 12 E HA -0.104 4.252 4.350 0.009 0.000 0.191 12 E C 1.725 178.269 176.600 -0.092 0.000 0.985 12 E CA 1.448 57.749 56.400 -0.165 0.000 0.801 12 E CB -0.133 29.486 29.700 -0.134 0.000 0.750 12 E HN 0.642 nan 8.360 nan 0.000 0.452 13 L N 0.377 121.531 121.223 -0.115 0.000 2.109 13 L HA -0.123 4.223 4.340 0.009 0.000 0.207 13 L C 2.391 179.340 176.870 0.133 0.000 1.086 13 L CA 0.760 55.593 54.840 -0.011 0.000 0.760 13 L CB -0.089 41.836 42.059 -0.223 0.000 0.910 13 L HN 0.209 nan 8.230 nan 0.000 0.437 14 L N -1.455 119.770 121.223 0.003 0.000 2.554 14 L HA 0.226 4.571 4.340 0.009 0.000 0.225 14 L C 1.633 178.505 176.870 0.004 0.000 1.104 14 L CA 0.294 55.129 54.840 -0.008 0.000 0.866 14 L CB -0.430 41.550 42.059 -0.132 0.000 1.047 14 L HN 0.399 nan 8.230 nan 0.000 0.468 15 G N 1.318 110.118 108.800 -0.000 0.000 2.651 15 G HA2 -0.408 3.557 3.960 0.009 0.000 0.315 15 G HA3 -0.408 3.557 3.960 0.009 0.000 0.315 15 G C 0.674 175.593 174.900 0.031 0.000 1.258 15 G CA 0.702 45.804 45.100 0.003 0.000 1.002 15 G HN 0.409 nan 8.290 nan 0.000 0.551 16 E N 0.896 121.106 120.200 0.017 0.000 2.472 16 E HA 0.009 4.364 4.350 0.009 0.000 0.200 16 E C 2.130 178.736 176.600 0.010 0.000 1.046 16 E CA 0.826 57.238 56.400 0.021 0.000 0.871 16 E CB 0.054 29.759 29.700 0.007 0.000 0.806 16 E HN 0.638 nan 8.360 nan 0.000 0.533 17 E N -0.036 120.157 120.200 -0.012 0.000 2.442 17 E HA -0.102 4.254 4.350 0.009 0.000 0.195 17 E C 1.403 177.938 176.600 -0.108 0.000 1.030 17 E CA -0.097 56.261 56.400 -0.071 0.000 0.869 17 E CB 0.060 29.687 29.700 -0.121 0.000 0.857 17 E HN 0.193 nan 8.360 nan 0.000 0.505 18 F N 2.195 122.050 119.950 -0.160 0.000 2.095 18 F HA -0.058 4.474 4.527 0.008 0.000 0.298 18 F C -1.226 174.522 175.800 -0.088 0.000 1.104 18 F CA 1.147 59.067 58.000 -0.133 0.000 1.232 18 F CB -1.024 37.916 39.000 -0.101 0.000 0.987 18 F HN 0.088 nan 8.300 nan 0.000 0.475 19 P HA -0.203 nan 4.420 nan 0.000 0.216 19 P C 1.587 178.703 177.300 -0.307 0.000 1.153 19 P CA 2.545 65.480 63.100 -0.275 0.000 0.858 19 P CB -0.390 31.261 31.700 -0.081 0.000 0.789 20 A N -1.367 121.314 122.820 -0.232 0.000 1.933 20 A HA -0.195 4.131 4.320 0.009 0.000 0.218 20 A C 2.110 179.498 177.584 -0.326 0.000 1.175 20 A CA 1.326 53.249 52.037 -0.190 0.000 0.628 20 A CB -1.770 17.196 19.000 -0.056 0.000 0.814 20 A HN 0.161 nan 8.150 nan 0.000 0.444 21 F N 0.249 119.734 119.950 -0.775 0.000 2.113 21 F HA -0.110 4.422 4.527 0.009 0.000 0.297 21 F C 1.823 177.312 175.800 -0.518 0.000 1.103 21 F CA 1.658 59.147 58.000 -0.852 0.000 1.248 21 F CB -0.410 38.038 39.000 -0.920 0.000 0.999 21 F HN 0.196 nan 8.300 nan 0.000 0.475 22 L N 1.182 121.958 121.223 -0.744 0.000 2.012 22 L HA -0.207 4.139 4.340 0.009 0.000 0.210 22 L C 2.458 179.066 176.870 -0.437 0.000 1.073 22 L CA 2.210 56.630 54.840 -0.700 0.000 0.748 22 L CB -1.106 40.445 42.059 -0.846 0.000 0.891 22 L HN 0.248 nan 8.230 nan 0.000 0.431 23 K N -0.831 119.364 120.400 -0.342 0.000 2.057 23 K HA -0.174 4.152 4.320 0.009 0.000 0.207 23 K C 1.997 178.495 176.600 -0.171 0.000 1.049 23 K CA 1.335 57.499 56.287 -0.204 0.000 0.931 23 K CB -0.262 32.152 32.500 -0.145 0.000 0.714 23 K HN 0.471 nan 8.250 nan 0.000 0.440 24 A N 1.171 123.877 122.820 -0.191 0.000 1.902 24 A HA -0.130 4.195 4.320 0.009 0.000 0.217 24 A C 2.079 179.570 177.584 -0.154 0.000 1.181 24 A CA 1.316 53.282 52.037 -0.118 0.000 0.623 24 A CB -0.556 18.427 19.000 -0.029 0.000 0.818 24 A HN 0.318 nan 8.150 nan 0.000 0.443 25 L N -0.384 120.666 121.223 -0.288 0.000 2.109 25 L HA -0.126 4.220 4.340 0.009 0.000 0.207 25 L C 2.905 179.705 176.870 -0.116 0.000 1.086 25 L CA 1.823 56.536 54.840 -0.212 0.000 0.760 25 L CB -0.735 41.141 42.059 -0.304 0.000 0.910 25 L HN 0.670 nan 8.230 nan 0.000 0.437 26 T N -4.353 110.123 114.554 -0.131 0.000 3.031 26 T HA 0.019 4.374 4.350 0.009 0.000 0.254 26 T C 1.480 176.144 174.700 -0.059 0.000 1.060 26 T CA 0.440 62.490 62.100 -0.083 0.000 1.135 26 T CB 0.153 68.968 68.868 -0.089 0.000 0.896 26 T HN 0.332 nan 8.240 nan 0.000 0.472 27 E N 0.771 120.932 120.200 -0.065 0.000 2.421 27 E HA 0.288 4.644 4.350 0.009 0.000 0.209 27 E C 1.213 177.796 176.600 -0.029 0.000 0.871 27 E CA -0.250 56.125 56.400 -0.042 0.000 1.064 27 E CB 0.358 30.032 29.700 -0.043 0.000 1.075 27 E HN 0.540 nan 8.360 nan 0.000 0.513 28 G N 2.011 110.789 108.800 -0.036 0.000 2.491 28 G HA2 0.015 3.980 3.960 0.009 0.000 0.238 28 G HA3 0.015 3.980 3.960 0.009 0.000 0.238 28 G C -0.310 174.587 174.900 -0.006 0.000 1.277 28 G CA -0.228 44.862 45.100 -0.017 0.000 0.851 28 G HN -0.041 nan 8.290 nan 0.000 0.573 29 K N 1.516 121.919 120.400 0.004 0.000 2.350 29 K HA 0.120 4.446 4.320 0.009 0.000 0.279 29 K C 0.732 177.335 176.600 0.006 0.000 1.027 29 K CA 0.015 56.313 56.287 0.018 0.000 0.969 29 K CB 0.932 33.447 32.500 0.025 0.000 0.954 29 K HN 0.475 nan 8.250 nan 0.000 0.474 30 R N 1.046 121.549 120.500 0.005 0.000 2.679 30 R HA 0.015 4.361 4.340 0.009 0.000 0.268 30 R C 0.415 176.597 176.300 -0.196 0.000 1.044 30 R CA 0.178 56.210 56.100 -0.113 0.000 1.105 30 R CB 0.201 30.408 30.300 -0.156 0.000 0.989 30 R HN 0.675 nan 8.270 nan 0.000 0.447 31 T N -0.707 113.658 114.554 -0.315 0.000 2.925 31 T HA 0.494 4.850 4.350 0.009 0.000 0.285 31 T C -0.835 173.542 174.700 -0.538 0.000 1.021 31 T CA -0.739 61.230 62.100 -0.219 0.000 1.042 31 T CB 0.881 69.758 68.868 0.015 0.000 1.037 31 T HN 0.448 nan 8.240 nan 0.000 0.481 32 Y N -0.132 120.084 120.300 -0.140 0.000 2.354 32 Y HA 0.635 5.190 4.550 0.008 0.000 0.330 32 Y C 0.471 176.135 175.900 -0.395 0.000 1.011 32 Y CA -0.898 56.927 58.100 -0.459 0.000 1.099 32 Y CB 2.485 40.306 38.460 -1.065 0.000 1.179 32 Y HN 1.196 nan 8.280 nan 0.000 0.442 33 G N 2.740 111.532 108.800 -0.014 0.000 2.524 33 G HA2 0.724 4.689 3.960 0.009 0.000 0.310 33 G HA3 0.724 4.689 3.960 0.009 0.000 0.310 33 G C -1.796 173.291 174.900 0.311 0.000 1.279 33 G CA -0.943 44.221 45.100 0.107 0.000 0.974 33 G HN 0.541 nan 8.290 nan 0.000 0.484 34 L N -1.236 120.144 121.223 0.262 0.000 2.350 34 L HA 0.908 5.254 4.340 0.009 0.000 0.260 34 L C -0.408 176.527 176.870 0.109 0.000 1.015 34 L CA -1.432 53.506 54.840 0.163 0.000 0.821 34 L CB 2.279 44.292 42.059 -0.076 0.000 1.370 34 L HN 0.553 nan 8.230 nan 0.000 0.416 35 R N 1.243 121.820 120.500 0.128 0.000 2.502 35 R HA 0.703 5.048 4.340 0.009 0.000 0.300 35 R C -1.517 174.870 176.300 0.146 0.000 0.984 35 R CA -0.704 55.433 56.100 0.061 0.000 0.882 35 R CB 2.023 32.286 30.300 -0.061 0.000 1.180 35 R HN 0.706 nan 8.270 nan 0.000 0.444 36 V N 4.014 123.981 119.914 0.089 0.000 2.655 36 V HA -0.023 4.103 4.120 0.009 0.000 0.300 36 V C 0.644 176.768 176.094 0.050 0.000 1.044 36 V CA -0.207 62.108 62.300 0.025 0.000 1.095 36 V CB 0.904 32.774 31.823 0.077 0.000 0.952 36 V HN 0.654 nan 8.190 nan 0.000 0.485 37 N N 3.654 122.271 118.700 -0.139 0.000 2.466 37 N HA -0.002 4.744 4.740 0.009 0.000 0.263 37 N C 1.328 176.678 175.510 -0.266 0.000 1.178 37 N CA 0.463 53.250 53.050 -0.438 0.000 0.983 37 N CB 0.906 38.670 38.487 -1.205 0.000 1.331 37 N HN 0.863 nan 8.380 nan 0.000 0.500 38 T N 0.489 114.999 114.554 -0.073 0.000 3.113 38 T HA -0.024 4.331 4.350 0.009 0.000 0.263 38 T C 1.885 176.559 174.700 -0.042 0.000 1.143 38 T CA 0.447 62.536 62.100 -0.018 0.000 1.090 38 T CB -0.132 68.767 68.868 0.052 0.000 0.922 38 T HN 0.403 nan 8.240 nan 0.000 0.521 39 L N -0.241 120.906 121.223 -0.127 0.000 2.141 39 L HA 0.056 4.402 4.340 0.009 0.000 0.209 39 L C 2.794 179.605 176.870 -0.098 0.000 1.094 39 L CA 1.261 56.030 54.840 -0.117 0.000 0.763 39 L CB -0.349 41.590 42.059 -0.199 0.000 0.908 39 L HN 0.259 nan 8.230 nan 0.000 0.437 40 K N -0.199 120.108 120.400 -0.156 0.000 2.244 40 K HA 0.249 4.575 4.320 0.009 0.000 0.200 40 K C 0.210 176.884 176.600 0.123 0.000 1.052 40 K CA 0.426 56.695 56.287 -0.029 0.000 0.980 40 K CB 0.580 32.961 32.500 -0.197 0.000 0.838 40 K HN 0.145 nan 8.250 nan 0.000 0.481 41 L N -1.961 119.275 121.223 0.021 0.000 2.653 41 L HA 0.570 4.915 4.340 0.009 0.000 0.257 41 L C -3.296 173.617 176.870 0.073 0.000 0.969 41 L CA -2.399 52.504 54.840 0.104 0.000 0.869 41 L CB 2.081 44.228 42.059 0.147 0.000 1.439 41 L HN -0.236 nan 8.230 nan 0.000 0.414 42 P HA 0.384 nan 4.420 nan 0.000 0.274 42 P C -2.361 175.035 177.300 0.160 0.000 1.246 42 P CA -1.552 61.612 63.100 0.107 0.000 0.795 42 P CB 0.159 31.918 31.700 0.098 0.000 1.006 43 P HA -0.192 nan 4.420 nan 0.000 0.215 43 P C 0.994 178.504 177.300 0.349 0.000 1.153 43 P CA 1.683 64.992 63.100 0.348 0.000 0.853 43 P CB -0.105 31.767 31.700 0.287 0.000 0.788 44 E N -0.143 120.192 120.200 0.225 0.000 2.150 44 E HA -0.097 4.259 4.350 0.009 0.000 0.193 44 E C 2.099 178.754 176.600 0.091 0.000 0.985 44 E CA 1.355 57.848 56.400 0.155 0.000 0.814 44 E CB -1.252 28.514 29.700 0.110 0.000 0.752 44 E HN 0.174 nan 8.360 nan 0.000 0.466 45 A N 0.630 123.514 122.820 0.107 0.000 1.898 45 A HA -0.132 4.194 4.320 0.009 0.000 0.216 45 A C 2.057 179.668 177.584 0.045 0.000 1.181 45 A CA 1.169 53.253 52.037 0.078 0.000 0.620 45 A CB -0.775 18.294 19.000 0.115 0.000 0.819 45 A HN 0.325 nan 8.150 nan 0.000 0.442 46 F N 0.522 120.450 119.950 -0.037 0.000 2.134 46 F HA -0.166 4.366 4.527 0.009 0.000 0.299 46 F C 2.409 178.111 175.800 -0.163 0.000 1.097 46 F CA 2.116 60.046 58.000 -0.115 0.000 1.264 46 F CB -0.386 38.568 39.000 -0.078 0.000 1.001 46 F HN 0.370 nan 8.300 nan 0.000 0.479 47 Q N 0.144 119.808 119.800 -0.226 0.000 2.170 47 Q HA -0.212 4.134 4.340 0.009 0.000 0.203 47 Q C 2.340 178.142 176.000 -0.329 0.000 0.976 47 Q CA 1.572 57.141 55.803 -0.391 0.000 0.858 47 Q CB -0.121 28.444 28.738 -0.287 0.000 0.907 47 Q HN 0.404 nan 8.270 nan 0.000 0.433 48 R N 0.077 120.448 120.500 -0.215 0.000 2.120 48 R HA -0.103 4.243 4.340 0.009 0.000 0.234 48 R C 2.128 178.301 176.300 -0.210 0.000 1.123 48 R CA 1.515 57.517 56.100 -0.162 0.000 0.975 48 R CB -0.201 30.051 30.300 -0.081 0.000 0.866 48 R HN 0.503 nan 8.270 nan 0.000 0.446 49 I N -2.736 117.640 120.570 -0.322 0.000 3.956 49 I HA 0.184 4.359 4.170 0.009 0.000 0.333 49 I C 0.514 176.381 176.117 -0.416 0.000 1.302 49 I CA -0.349 60.783 61.300 -0.280 0.000 1.122 49 I CB 0.597 38.480 38.000 -0.195 0.000 1.013 49 I HN -0.196 nan 8.210 nan 0.000 0.405 50 S N 2.777 118.047 115.700 -0.717 0.000 2.537 50 S HA 0.221 4.697 4.470 0.009 0.000 0.286 50 S C -1.202 173.037 174.600 -0.602 0.000 1.299 50 S CA -0.801 56.916 58.200 -0.806 0.000 1.067 50 S CB 0.606 63.377 63.200 -0.714 0.000 0.864 50 S HN 0.149 nan 8.310 nan 0.000 0.494 51 P HA 0.102 nan 4.420 nan 0.000 0.233 51 P C -0.547 176.246 177.300 -0.844 0.000 1.167 51 P CA 0.634 63.123 63.100 -1.019 0.000 0.770 51 P CB 0.179 30.948 31.700 -1.553 0.000 0.837 52 W N -0.686 120.560 121.300 -0.089 0.000 2.844 52 W HA 0.380 5.047 4.660 0.011 0.000 0.340 52 W C -2.695 173.790 176.519 -0.056 0.000 1.093 52 W CA -2.761 54.553 57.345 -0.052 0.000 1.212 52 W CB 0.025 29.468 29.460 -0.029 0.000 1.422 52 W HN -0.270 nan 8.180 nan 0.000 0.515 53 P HA 0.161 nan 4.420 nan 0.000 0.268 53 P C -0.383 177.008 177.300 0.151 0.000 1.204 53 P CA 0.392 63.557 63.100 0.108 0.000 0.768 53 P CB 0.712 32.469 31.700 0.096 0.000 0.842 54 L N 3.697 124.976 121.223 0.093 0.000 2.333 54 L HA 0.623 4.968 4.340 0.009 0.000 0.269 54 L C 0.595 177.603 176.870 0.230 0.000 1.010 54 L CA -0.912 54.017 54.840 0.148 0.000 0.818 54 L CB 2.073 44.068 42.059 -0.106 0.000 1.306 54 L HN 0.243 nan 8.230 nan 0.000 0.430 55 R N 1.593 122.312 120.500 0.365 0.000 2.686 55 R HA 0.460 4.806 4.340 0.009 0.000 0.286 55 R C -2.683 173.861 176.300 0.407 0.000 0.969 55 R CA -1.794 54.523 56.100 0.360 0.000 0.898 55 R CB 2.215 32.696 30.300 0.301 0.000 1.183 55 R HN 0.314 nan 8.270 nan 0.000 0.456 56 P HA 0.116 nan 4.420 nan 0.000 0.275 56 P C -0.413 176.737 177.300 -0.251 0.000 1.227 56 P CA -0.009 63.038 63.100 -0.090 0.000 0.781 56 P CB 0.835 32.495 31.700 -0.067 0.000 0.906 57 I N 5.581 125.774 120.570 -0.627 0.000 2.337 57 I HA 0.106 4.282 4.170 0.009 0.000 0.291 57 I C -1.233 174.394 176.117 -0.817 0.000 1.046 57 I CA -2.194 58.532 61.300 -0.957 0.000 1.324 57 I CB 1.123 38.396 38.000 -1.212 0.000 1.409 57 I HN 0.212 nan 8.210 nan 0.000 0.494 58 P HA -0.158 nan 4.420 nan 0.000 0.218 58 P C 0.774 177.912 177.300 -0.271 0.000 1.148 58 P CA 1.495 64.351 63.100 -0.407 0.000 0.822 58 P CB 0.001 31.460 31.700 -0.401 0.000 0.784 59 W N -3.006 118.182 121.300 -0.188 0.000 3.316 59 W HA 0.445 5.110 4.660 0.009 0.000 0.327 59 W C -0.274 176.223 176.519 -0.037 0.000 1.232 59 W CA -0.592 56.697 57.345 -0.095 0.000 1.805 59 W CB -0.805 28.640 29.460 -0.026 0.000 1.090 59 W HN -0.125 nan 8.180 nan 0.000 0.654 60 C N 3.292 122.448 119.300 -0.239 0.000 2.571 60 C HA 0.251 4.717 4.460 0.009 0.000 0.343 60 C C 1.500 176.347 174.990 -0.237 0.000 1.082 60 C CA -0.479 58.458 59.018 -0.136 0.000 1.339 60 C CB 0.755 28.418 27.740 -0.129 0.000 1.893 60 C HN 0.305 nan 8.230 nan 0.000 0.445 61 Q N 1.868 121.588 119.800 -0.134 0.000 2.226 61 Q HA -0.103 4.243 4.340 0.009 0.000 0.204 61 Q C 1.850 177.710 176.000 -0.233 0.000 0.975 61 Q CA 1.518 57.222 55.803 -0.164 0.000 0.866 61 Q CB 0.077 28.777 28.738 -0.062 0.000 0.915 61 Q HN 0.949 nan 8.270 nan 0.000 0.440 62 E N -0.197 119.897 120.200 -0.177 0.000 2.465 62 E HA 0.162 4.518 4.350 0.009 0.000 0.191 62 E C 0.352 176.780 176.600 -0.287 0.000 1.053 62 E CA 0.117 56.425 56.400 -0.154 0.000 0.869 62 E CB 0.173 29.861 29.700 -0.019 0.000 0.977 62 E HN 0.061 nan 8.360 nan 0.000 0.483 63 G N 0.550 109.051 108.800 -0.498 0.000 2.432 63 G HA2 0.548 4.514 3.960 0.009 0.000 0.331 63 G HA3 0.548 4.514 3.960 0.009 0.000 0.331 63 G C -1.404 173.007 174.900 -0.815 0.000 1.170 63 G CA -0.614 44.190 45.100 -0.493 0.000 0.943 63 G HN 0.043 nan 8.290 nan 0.000 0.483 64 F N -0.572 119.269 119.950 -0.182 0.000 2.591 64 F HA 0.397 4.930 4.527 0.009 0.000 0.309 64 F C -0.779 174.931 175.800 -0.149 0.000 1.098 64 F CA -0.872 57.047 58.000 -0.134 0.000 0.937 64 F CB 1.954 40.991 39.000 0.062 0.000 1.250 64 F HN 0.361 nan 8.300 nan 0.000 0.447 65 Y N 2.297 122.703 120.300 0.177 0.000 2.425 65 Y HA 0.288 4.843 4.550 0.009 0.000 0.331 65 Y C -0.006 176.003 175.900 0.182 0.000 1.157 65 Y CA -0.578 57.580 58.100 0.096 0.000 1.372 65 Y CB 0.059 38.538 38.460 0.032 0.000 1.253 65 Y HN 0.489 nan 8.280 nan 0.000 0.536 66 Y N 1.505 121.941 120.300 0.226 0.000 2.587 66 Y HA 0.813 5.368 4.550 0.008 0.000 0.337 66 Y C -3.056 172.848 175.900 0.007 0.000 1.065 66 Y CA -4.060 54.086 58.100 0.078 0.000 1.126 66 Y CB 0.439 38.843 38.460 -0.094 0.000 1.279 66 Y HN 0.325 nan 8.280 nan 0.000 0.489 67 P HA 0.080 nan 4.420 nan 0.000 0.271 67 P C 0.421 177.558 177.300 -0.272 0.000 1.216 67 P CA -0.023 63.050 63.100 -0.044 0.000 0.776 67 P CB 1.031 32.747 31.700 0.027 0.000 0.881 68 E N 2.829 122.779 120.200 -0.417 0.000 2.171 68 E HA -0.270 4.085 4.350 0.009 0.000 0.197 68 E C 1.286 177.594 176.600 -0.487 0.000 0.997 68 E CA 1.225 57.142 56.400 -0.804 0.000 0.810 68 E CB 0.129 29.596 29.700 -0.388 0.000 0.738 68 E HN 0.493 nan 8.360 nan 0.000 0.467 69 E N 0.404 120.465 120.200 -0.233 0.000 2.435 69 E HA 0.026 4.382 4.350 0.009 0.000 0.195 69 E C 0.413 176.943 176.600 -0.117 0.000 1.029 69 E CA 0.496 56.818 56.400 -0.131 0.000 0.865 69 E CB -0.027 29.640 29.700 -0.055 0.000 0.833 69 E HN 0.211 nan 8.360 nan 0.000 0.510 70 A N 1.677 124.395 122.820 -0.170 0.000 2.351 70 A HA 0.407 4.733 4.320 0.009 0.000 0.257 70 A C 0.055 177.414 177.584 -0.374 0.000 1.087 70 A CA -0.448 51.392 52.037 -0.329 0.000 0.798 70 A CB 0.318 18.869 19.000 -0.749 0.000 1.033 70 A HN 0.157 nan 8.150 nan 0.000 0.488 71 R N 1.733 122.007 120.500 -0.376 0.000 2.587 71 R HA 0.250 4.596 4.340 0.009 0.000 0.283 71 R C -2.361 173.762 176.300 -0.295 0.000 1.472 71 R CA -1.327 54.621 56.100 -0.253 0.000 1.578 71 R CB 0.969 31.242 30.300 -0.045 0.000 1.130 71 R HN 0.468 nan 8.270 nan 0.000 0.602 72 P HA -0.024 nan 4.420 nan 0.000 0.237 72 P C 1.278 178.598 177.300 0.034 0.000 1.178 72 P CA 0.611 63.425 63.100 -0.477 0.000 0.766 72 P CB 0.460 31.514 31.700 -1.076 0.000 0.876 73 G N 1.738 110.446 108.800 -0.153 0.000 2.464 73 G HA2 -0.101 3.865 3.960 0.009 0.000 0.214 73 G HA3 -0.101 3.865 3.960 0.009 0.000 0.214 73 G C -1.199 173.565 174.900 -0.227 0.000 1.218 73 G CA 0.521 45.395 45.100 -0.375 0.000 0.794 73 G HN 0.256 nan 8.290 nan 0.000 0.542 74 P HA 0.151 nan 4.420 nan 0.000 0.225 74 P C -0.917 176.553 177.300 0.284 0.000 1.813 74 P CA 0.407 63.602 63.100 0.158 0.000 1.013 74 P CB -0.211 31.545 31.700 0.094 0.000 1.961 75 H N 1.716 120.952 119.070 0.275 0.000 2.974 75 H HA 0.259 4.821 4.556 0.009 0.000 0.366 75 H C -2.256 173.281 175.328 0.347 0.000 1.155 75 H CA -1.776 54.433 56.048 0.267 0.000 1.186 75 H CB 2.616 32.590 29.762 0.352 0.000 1.799 75 H HN -0.180 nan 8.280 nan 0.000 0.541 76 P HA -0.118 nan 4.420 nan 0.000 0.219 76 P C 1.360 178.952 177.300 0.487 0.000 1.146 76 P CA 0.954 64.188 63.100 0.224 0.000 0.808 76 P CB 0.023 31.709 31.700 -0.022 0.000 0.779 77 F N -1.785 118.521 119.950 0.595 0.000 2.216 77 F HA -0.080 4.452 4.527 0.009 0.000 0.300 77 F C 2.196 177.916 175.800 -0.132 0.000 1.085 77 F CA 0.224 58.404 58.000 0.300 0.000 1.326 77 F CB -1.734 37.571 39.000 0.508 0.000 1.027 77 F HN -0.090 nan 8.300 nan 0.000 0.497 78 F N -0.347 119.608 119.950 0.008 0.000 2.102 78 F HA -0.255 4.278 4.527 0.010 0.000 0.298 78 F C 2.184 177.788 175.800 -0.328 0.000 1.105 78 F CA 1.663 59.429 58.000 -0.391 0.000 1.239 78 F CB -0.778 38.042 39.000 -0.300 0.000 0.991 78 F HN -0.096 nan 8.300 nan 0.000 0.474 79 Y N -0.046 120.376 120.300 0.203 0.000 2.439 79 Y HA 0.079 4.634 4.550 0.008 0.000 0.292 79 Y C 2.353 178.258 175.900 0.008 0.000 1.130 79 Y CA 0.743 58.907 58.100 0.107 0.000 1.254 79 Y CB -0.921 37.661 38.460 0.203 0.000 1.000 79 Y HN 0.153 nan 8.280 nan 0.000 0.554 80 A N -0.207 122.692 122.820 0.132 0.000 2.238 80 A HA 0.343 4.669 4.320 0.009 0.000 0.208 80 A C 1.991 179.488 177.584 -0.144 0.000 1.177 80 A CA 0.745 52.815 52.037 0.056 0.000 0.804 80 A CB -1.133 17.955 19.000 0.145 0.000 0.823 80 A HN 0.547 nan 8.150 nan 0.000 0.482 81 G N -0.598 108.035 108.800 -0.278 0.000 2.221 81 G HA2 -0.256 3.709 3.960 0.009 0.000 0.265 81 G HA3 -0.256 3.709 3.960 0.009 0.000 0.265 81 G C 0.635 175.225 174.900 -0.516 0.000 1.041 81 G CA 0.491 45.373 45.100 -0.363 0.000 0.807 81 G HN 0.465 nan 8.290 nan 0.000 0.502 82 L N -1.560 119.317 121.223 -0.577 0.000 2.313 82 L HA 0.217 4.563 4.340 0.009 0.000 0.214 82 L C 1.234 177.812 176.870 -0.488 0.000 1.119 82 L CA 1.065 55.544 54.840 -0.602 0.000 0.809 82 L CB -0.357 41.365 42.059 -0.562 0.000 0.933 82 L HN 0.656 nan 8.230 nan 0.000 0.449 83 Y N -4.506 115.655 120.300 -0.231 0.000 2.638 83 Y HA 0.502 5.058 4.550 0.009 0.000 0.335 83 Y C -1.192 174.824 175.900 0.193 0.000 1.155 83 Y CA -2.241 55.822 58.100 -0.062 0.000 1.046 83 Y CB 0.600 38.893 38.460 -0.278 0.000 1.303 83 Y HN -0.158 nan 8.280 nan 0.000 0.460 84 Y N 2.169 122.698 120.300 0.382 0.000 2.360 84 Y HA 0.653 5.208 4.550 0.009 0.000 0.337 84 Y C -0.423 175.618 175.900 0.235 0.000 1.039 84 Y CA -1.280 56.930 58.100 0.183 0.000 1.109 84 Y CB 1.220 39.605 38.460 -0.125 0.000 1.201 84 Y HN 0.685 nan 8.280 nan 0.000 0.458 85 I N 6.498 127.097 120.570 0.048 0.000 2.311 85 I HA 0.134 4.309 4.170 0.009 0.000 0.297 85 I C -0.390 175.888 176.117 0.269 0.000 1.131 85 I CA 0.300 61.704 61.300 0.174 0.000 1.289 85 I CB 0.156 38.230 38.000 0.123 0.000 1.446 85 I HN 0.524 nan 8.210 nan 0.000 0.524 86 Q N 5.905 125.896 119.800 0.318 0.000 2.340 86 Q HA 0.210 4.556 4.340 0.009 0.000 0.268 86 Q C -0.294 175.785 176.000 0.131 0.000 1.031 86 Q CA -0.775 55.182 55.803 0.256 0.000 0.804 86 Q CB 1.960 30.799 28.738 0.169 0.000 1.286 86 Q HN 0.444 nan 8.270 nan 0.000 0.448 87 E N 4.383 124.640 120.200 0.095 0.000 2.502 87 E HA -0.031 4.325 4.350 0.009 0.000 0.261 87 E C -1.928 174.707 176.600 0.060 0.000 0.974 87 E CA -1.108 55.326 56.400 0.056 0.000 0.936 87 E CB 1.111 30.836 29.700 0.041 0.000 0.926 87 E HN 0.504 nan 8.360 nan 0.000 0.459 88 P HA -0.191 nan 4.420 nan 0.000 0.215 88 P C 1.413 178.934 177.300 0.369 0.000 1.157 88 P CA 2.270 65.453 63.100 0.137 0.000 0.874 88 P CB 0.028 31.861 31.700 0.221 0.000 0.790 89 S N -0.660 115.206 115.700 0.277 0.000 2.402 89 S HA -0.079 4.396 4.470 0.009 0.000 0.229 89 S C 2.070 176.503 174.600 -0.279 0.000 1.021 89 S CA 1.077 59.311 58.200 0.058 0.000 0.974 89 S CB -1.409 61.758 63.200 -0.054 0.000 0.800 89 S HN 0.111 nan 8.310 nan 0.000 0.484 90 A N 1.554 124.175 122.820 -0.332 0.000 2.067 90 A HA -0.042 4.283 4.320 0.009 0.000 0.219 90 A C 2.261 179.716 177.584 -0.215 0.000 1.158 90 A CA 1.134 52.828 52.037 -0.573 0.000 0.661 90 A CB -0.672 18.185 19.000 -0.238 0.000 0.801 90 A HN 0.683 nan 8.150 nan 0.000 0.452 91 Q N -0.608 119.198 119.800 0.010 0.000 2.291 91 Q HA -0.065 4.280 4.340 0.009 0.000 0.205 91 Q C 2.213 178.379 176.000 0.277 0.000 0.970 91 Q CA 0.920 56.806 55.803 0.138 0.000 0.876 91 Q CB -0.350 28.433 28.738 0.074 0.000 0.935 91 Q HN 0.710 nan 8.270 nan 0.000 0.455 92 A N 0.445 123.394 122.820 0.214 0.000 2.015 92 A HA -0.105 4.221 4.320 0.009 0.000 0.219 92 A C 2.267 179.874 177.584 0.038 0.000 1.163 92 A CA 0.929 53.075 52.037 0.181 0.000 0.646 92 A CB -0.375 18.576 19.000 -0.081 0.000 0.806 92 A HN 0.192 nan 8.150 nan 0.000 0.448 93 V N -0.117 119.762 119.914 -0.058 0.000 2.261 93 V HA -0.178 3.947 4.120 0.009 0.000 0.246 93 V C 2.858 178.883 176.094 -0.115 0.000 1.047 93 V CA 2.014 64.261 62.300 -0.087 0.000 1.015 93 V CB -1.535 30.230 31.823 -0.097 0.000 0.642 93 V HN 0.567 nan 8.190 nan 0.000 0.446 94 G N -0.159 108.521 108.800 -0.201 0.000 2.442 94 G HA2 -0.205 3.761 3.960 0.009 0.000 0.219 94 G HA3 -0.205 3.761 3.960 0.009 0.000 0.219 94 G C 1.654 176.285 174.900 -0.448 0.000 1.141 94 G CA 1.276 46.043 45.100 -0.555 0.000 0.763 94 G HN 0.384 nan 8.290 nan 0.000 0.554 95 V N 0.624 120.389 119.914 -0.248 0.000 2.343 95 V HA -0.129 3.997 4.120 0.009 0.000 0.247 95 V C 2.654 178.729 176.094 -0.032 0.000 1.051 95 V CA 1.608 63.870 62.300 -0.064 0.000 1.036 95 V CB -0.455 31.426 31.823 0.098 0.000 0.654 95 V HN 0.357 nan 8.190 nan 0.000 0.451 96 L N -0.320 120.892 121.223 -0.018 0.000 2.056 96 L HA -0.092 4.253 4.340 0.009 0.000 0.207 96 L C 2.170 179.028 176.870 -0.021 0.000 1.078 96 L CA 1.789 56.625 54.840 -0.006 0.000 0.749 96 L CB -0.649 41.404 42.059 -0.011 0.000 0.901 96 L HN 0.273 nan 8.230 nan 0.000 0.433 97 L N 0.208 121.404 121.223 -0.046 0.000 2.083 97 L HA -0.132 4.213 4.340 0.009 0.000 0.209 97 L C 0.688 177.548 176.870 -0.017 0.000 1.083 97 L CA 1.801 56.626 54.840 -0.025 0.000 0.752 97 L CB -0.587 41.445 42.059 -0.045 0.000 0.899 97 L HN 0.598 nan 8.230 nan 0.000 0.433 98 D N -0.988 119.383 120.400 -0.049 0.000 2.699 98 D HA -0.127 4.518 4.640 0.009 0.000 0.239 98 D C -2.161 174.132 176.300 -0.012 0.000 1.136 98 D CA 0.599 54.581 54.000 -0.030 0.000 0.668 98 D CB -0.653 40.144 40.800 -0.005 0.000 1.060 98 D HN 0.306 nan 8.370 nan 0.000 0.429 99 P HA 0.138 nan 4.420 nan 0.000 0.271 99 P C -0.249 177.049 177.300 -0.003 0.000 1.218 99 P CA -0.023 63.078 63.100 0.002 0.000 0.780 99 P CB 0.782 32.484 31.700 0.003 0.000 0.901 100 K N 2.369 122.761 120.400 -0.013 0.000 2.267 100 K HA 0.504 4.830 4.320 0.009 0.000 0.246 100 K C -2.514 174.066 176.600 -0.032 0.000 0.954 100 K CA -2.630 53.642 56.287 -0.024 0.000 0.824 100 K CB 0.241 32.715 32.500 -0.043 0.000 1.167 100 K HN 0.236 nan 8.250 nan 0.000 0.431 101 P HA -0.004 nan 4.420 nan 0.000 0.262 101 P C 0.693 177.962 177.300 -0.052 0.000 1.182 101 P CA 1.059 64.148 63.100 -0.018 0.000 0.761 101 P CB 0.289 31.985 31.700 -0.006 0.000 0.795 102 G N 1.654 110.424 108.800 -0.050 0.000 2.217 102 G HA2 -0.221 3.744 3.960 0.009 0.000 0.246 102 G HA3 -0.221 3.744 3.960 0.009 0.000 0.246 102 G C 0.181 174.998 174.900 -0.139 0.000 0.990 102 G CA -0.255 44.797 45.100 -0.081 0.000 0.627 102 G HN 0.542 nan 8.290 nan 0.000 0.522 103 E N 0.152 120.256 120.200 -0.161 0.000 2.342 103 E HA 0.536 4.891 4.350 0.009 0.000 0.257 103 E C 0.430 177.051 176.600 0.036 0.000 1.150 103 E CA -0.555 55.699 56.400 -0.243 0.000 0.926 103 E CB 0.553 30.110 29.700 -0.237 0.000 1.074 103 E HN 0.306 nan 8.360 nan 0.000 0.449 104 R N 0.761 121.447 120.500 0.310 0.000 2.295 104 R HA 0.408 4.754 4.340 0.009 0.000 0.324 104 R C -1.093 175.489 176.300 0.471 0.000 0.968 104 R CA -0.471 55.774 56.100 0.242 0.000 0.837 104 R CB 1.166 31.377 30.300 -0.149 0.000 1.133 104 R HN 0.166 nan 8.270 nan 0.000 0.450 105 V N 4.458 124.623 119.914 0.419 0.000 2.656 105 V HA 0.408 4.533 4.120 0.009 0.000 0.307 105 V C -1.040 175.096 176.094 0.070 0.000 1.051 105 V CA -0.974 61.485 62.300 0.264 0.000 0.893 105 V CB 2.191 34.093 31.823 0.131 0.000 0.999 105 V HN 0.491 nan 8.190 nan 0.000 0.426 106 L N 3.417 124.517 121.223 -0.204 0.000 2.356 106 L HA 0.706 5.052 4.340 0.009 0.000 0.277 106 L C -0.880 175.868 176.870 -0.203 0.000 0.996 106 L CA 0.002 54.593 54.840 -0.415 0.000 0.822 106 L CB 1.709 43.167 42.059 -1.001 0.000 1.256 106 L HN 0.680 nan 8.230 nan 0.000 0.413 107 D N 4.085 124.403 120.400 -0.137 0.000 2.412 107 D HA 0.156 4.802 4.640 0.009 0.000 0.224 107 D C 0.638 176.882 176.300 -0.093 0.000 1.093 107 D CA -0.267 53.673 54.000 -0.100 0.000 0.850 107 D CB 1.238 41.987 40.800 -0.085 0.000 1.046 107 D HN 0.563 nan 8.370 nan 0.000 0.507 108 L N 3.507 124.676 121.223 -0.089 0.000 2.240 108 L HA 0.260 4.606 4.340 0.009 0.000 0.211 108 L C 0.723 177.558 176.870 -0.058 0.000 1.106 108 L CA 0.910 55.705 54.840 -0.074 0.000 0.793 108 L CB -0.149 41.867 42.059 -0.070 0.000 0.927 108 L HN 0.518 nan 8.230 nan 0.000 0.446 109 A N -1.847 120.938 122.820 -0.059 0.000 2.893 109 A HA 0.705 5.031 4.320 0.009 0.000 0.333 109 A C 0.823 178.372 177.584 -0.059 0.000 1.152 109 A CA 0.150 52.154 52.037 -0.054 0.000 0.782 109 A CB 0.301 19.270 19.000 -0.053 0.000 1.108 109 A HN 0.189 nan 8.150 nan 0.000 0.469 110 A N 1.033 123.819 122.820 -0.056 0.000 2.030 110 A HA 0.576 4.902 4.320 0.009 0.000 0.215 110 A C 1.470 179.016 177.584 -0.062 0.000 1.164 110 A CA 1.000 52.997 52.037 -0.066 0.000 0.697 110 A CB -0.273 18.689 19.000 -0.063 0.000 0.827 110 A HN 1.664 nan 8.150 nan 0.000 0.457 111 A N 0.853 123.647 122.820 -0.043 0.000 2.498 111 A HA 0.454 4.780 4.320 0.009 0.000 0.239 111 A C -0.963 176.609 177.584 -0.020 0.000 1.068 111 A CA -0.518 51.504 52.037 -0.025 0.000 0.766 111 A CB 0.007 18.997 19.000 -0.017 0.000 1.003 111 A HN 0.280 nan 8.150 nan 0.000 0.497 112 P HA 0.185 nan 4.420 nan 0.000 0.255 112 P C 0.695 178.022 177.300 0.046 0.000 1.248 112 P CA 1.043 64.172 63.100 0.048 0.000 0.807 112 P CB 0.594 32.356 31.700 0.104 0.000 1.150 113 G N -0.917 107.850 108.800 -0.056 0.000 2.164 113 G HA2 -0.159 3.807 3.960 0.009 0.000 0.154 113 G HA3 -0.159 3.807 3.960 0.009 0.000 0.154 113 G C 1.065 175.646 174.900 -0.531 0.000 1.014 113 G CA -0.099 44.890 45.100 -0.185 0.000 0.683 113 G HN 0.431 nan 8.290 nan 0.000 0.500 114 G N 1.006 109.421 108.800 -0.642 0.000 2.446 114 G HA2 -0.124 3.842 3.960 0.009 0.000 0.217 114 G HA3 -0.124 3.842 3.960 0.009 0.000 0.217 114 G C 1.743 176.236 174.900 -0.679 0.000 1.168 114 G CA 1.671 46.066 45.100 -1.174 0.000 0.771 114 G HN 0.495 nan 8.290 nan 0.000 0.551 115 K N 0.335 120.524 120.400 -0.353 0.000 2.103 115 K HA -0.008 4.318 4.320 0.009 0.000 0.204 115 K C 2.613 179.085 176.600 -0.214 0.000 1.052 115 K CA 1.267 57.433 56.287 -0.202 0.000 0.945 115 K CB -1.107 31.313 32.500 -0.134 0.000 0.722 115 K HN 0.238 nan 8.250 nan 0.000 0.443 116 T N 1.806 116.206 114.554 -0.257 0.000 2.684 116 T HA -0.144 4.211 4.350 0.009 0.000 0.267 116 T C 2.120 176.643 174.700 -0.295 0.000 1.036 116 T CA 2.439 64.408 62.100 -0.219 0.000 1.148 116 T CB -0.515 68.238 68.868 -0.191 0.000 0.863 116 T HN 0.543 nan 8.240 nan 0.000 0.436 117 T N -0.310 113.906 114.554 -0.563 0.000 2.867 117 T HA -0.130 4.226 4.350 0.009 0.000 0.268 117 T C 1.731 176.116 174.700 -0.525 0.000 1.057 117 T CA 1.439 62.949 62.100 -0.983 0.000 1.136 117 T CB -0.682 67.018 68.868 -1.946 0.000 0.874 117 T HN 0.621 nan 8.240 nan 0.000 0.466 118 H N 0.335 119.131 119.070 -0.457 0.000 2.321 118 H HA -0.014 4.547 4.556 0.009 0.000 0.300 118 H C 1.963 177.255 175.328 -0.061 0.000 1.087 118 H CA 0.918 56.856 56.048 -0.184 0.000 1.319 118 H CB -0.026 29.623 29.762 -0.188 0.000 1.379 118 H HN 0.152 nan 8.280 nan 0.000 0.501 119 L N 0.793 122.013 121.223 -0.005 0.000 2.012 119 L HA -0.153 4.193 4.340 0.009 0.000 0.210 119 L C 2.853 179.755 176.870 0.054 0.000 1.073 119 L CA 1.773 56.599 54.840 -0.023 0.000 0.748 119 L CB -1.338 40.693 42.059 -0.048 0.000 0.891 119 L HN 0.385 nan 8.230 nan 0.000 0.431 120 A N -0.722 122.144 122.820 0.076 0.000 1.908 120 A HA -0.169 4.156 4.320 0.009 0.000 0.218 120 A C 2.497 180.229 177.584 0.247 0.000 1.181 120 A CA 1.963 54.099 52.037 0.164 0.000 0.627 120 A CB -0.892 18.238 19.000 0.216 0.000 0.818 120 A HN 0.402 nan 8.150 nan 0.000 0.445 121 A N -0.313 122.730 122.820 0.372 0.000 1.898 121 A HA -0.026 4.299 4.320 0.009 0.000 0.216 121 A C 1.727 179.427 177.584 0.193 0.000 1.181 121 A CA 0.843 53.081 52.037 0.335 0.000 0.620 121 A CB -0.291 18.988 19.000 0.465 0.000 0.819 121 A HN 0.571 nan 8.150 nan 0.000 0.442 125 G N 0.224 109.069 108.800 0.076 0.000 2.166 125 G HA2 -0.294 3.672 3.960 0.009 0.000 0.260 125 G HA3 -0.294 3.672 3.960 0.009 0.000 0.260 125 G C 0.275 175.210 174.900 0.058 0.000 0.986 125 G CA 0.930 46.076 45.100 0.077 0.000 0.683 125 G HN 0.678 nan 8.290 nan 0.000 0.527 126 K N 0.027 120.454 120.400 0.045 0.000 2.138 126 K HA 0.633 4.958 4.320 0.009 0.000 0.263 126 K C 0.818 177.431 176.600 0.021 0.000 0.965 126 K CA 0.062 56.367 56.287 0.029 0.000 0.868 126 K CB 1.770 34.280 32.500 0.017 0.000 1.083 126 K HN 1.260 nan 8.250 nan 0.000 0.443 127 G N 1.168 109.977 108.800 0.016 0.000 2.472 127 G HA2 -0.175 3.791 3.960 0.009 0.000 0.205 127 G HA3 -0.175 3.791 3.960 0.009 0.000 0.205 127 G C -1.864 173.057 174.900 0.035 0.000 1.270 127 G CA -0.744 44.361 45.100 0.008 0.000 0.974 127 G HN 0.467 nan 8.290 nan 0.000 0.542 128 L N -0.139 121.114 121.223 0.051 0.000 2.305 128 L HA 0.889 5.235 4.340 0.009 0.000 0.284 128 L C -0.618 176.332 176.870 0.133 0.000 1.013 128 L CA -0.948 53.945 54.840 0.088 0.000 0.819 128 L CB 1.384 43.495 42.059 0.087 0.000 1.227 128 L HN 1.094 nan 8.230 nan 0.000 0.417 129 L N 6.145 127.437 121.223 0.115 0.000 2.319 129 L HA 0.601 4.947 4.340 0.009 0.000 0.281 129 L C -1.600 175.328 176.870 0.097 0.000 1.005 129 L CA -0.263 54.640 54.840 0.105 0.000 0.828 129 L CB 1.547 43.649 42.059 0.071 0.000 1.227 129 L HN 0.720 nan 8.230 nan 0.000 0.415 130 L N 5.152 126.431 121.223 0.094 0.000 2.305 130 L HA 0.877 5.223 4.340 0.009 0.000 0.284 130 L C -0.492 176.379 176.870 0.003 0.000 1.013 130 L CA -0.306 54.575 54.840 0.069 0.000 0.819 130 L CB 1.497 43.632 42.059 0.127 0.000 1.227 130 L HN 0.828 nan 8.230 nan 0.000 0.417 131 A N 4.109 126.932 122.820 0.006 0.000 2.273 131 A HA 0.510 4.836 4.320 0.009 0.000 0.315 131 A C -0.869 176.706 177.584 -0.014 0.000 1.256 131 A CA -0.595 51.429 52.037 -0.022 0.000 0.851 131 A CB 0.620 19.603 19.000 -0.028 0.000 1.172 131 A HN 0.744 nan 8.150 nan 0.000 0.508 132 N N 1.344 120.029 118.700 -0.025 0.000 2.399 132 N HA 0.519 5.265 4.740 0.009 0.000 0.295 132 N C -1.003 174.489 175.510 -0.029 0.000 1.048 132 N CA -0.141 52.899 53.050 -0.017 0.000 0.886 132 N CB 1.414 39.893 38.487 -0.013 0.000 1.185 132 N HN 0.528 nan 8.380 nan 0.000 0.487 133 E N 2.917 123.101 120.200 -0.026 0.000 2.283 133 E HA 0.190 4.545 4.350 0.009 0.000 0.258 133 E C -0.588 175.994 176.600 -0.030 0.000 0.893 133 E CA -0.610 55.771 56.400 -0.031 0.000 0.798 133 E CB 1.024 30.706 29.700 -0.029 0.000 1.242 133 E HN 0.292 nan 8.360 nan 0.000 0.414 134 V N 3.346 123.241 119.914 -0.032 0.000 2.667 134 V HA 0.000 4.126 4.120 0.009 0.000 0.252 134 V C 0.140 176.215 176.094 -0.031 0.000 1.065 134 V CA 1.527 63.808 62.300 -0.032 0.000 1.083 134 V CB 0.026 31.829 31.823 -0.034 0.000 0.692 134 V HN 0.658 nan 8.190 nan 0.000 0.468 135 D N -0.105 120.277 120.400 -0.031 0.000 2.380 135 D HA 0.275 4.921 4.640 0.009 0.000 0.230 135 D C 1.344 177.627 176.300 -0.029 0.000 1.154 135 D CA 0.593 54.575 54.000 -0.030 0.000 0.859 135 D CB 1.107 41.889 40.800 -0.031 0.000 1.045 135 D HN 0.233 nan 8.370 nan 0.000 0.495 136 G N 3.811 112.594 108.800 -0.028 0.000 2.475 136 G HA2 -0.298 3.668 3.960 0.009 0.000 0.220 136 G HA3 -0.298 3.668 3.960 0.009 0.000 0.220 136 G C 1.372 176.255 174.900 -0.028 0.000 1.125 136 G CA 0.574 45.656 45.100 -0.030 0.000 0.755 136 G HN 0.496 nan 8.290 nan 0.000 0.565 137 K N -0.189 120.196 120.400 -0.025 0.000 2.362 137 K HA 0.023 4.349 4.320 0.009 0.000 0.200 137 K C 2.321 178.910 176.600 -0.019 0.000 1.046 137 K CA 0.580 56.854 56.287 -0.022 0.000 0.952 137 K CB -0.003 32.484 32.500 -0.021 0.000 0.753 137 K HN 0.233 nan 8.250 nan 0.000 0.466 138 R N -0.126 120.361 120.500 -0.020 0.000 2.334 138 R HA 0.093 4.439 4.340 0.009 0.000 0.212 138 R C 1.770 178.062 176.300 -0.014 0.000 0.897 138 R CA -0.064 56.028 56.100 -0.015 0.000 1.056 138 R CB 0.371 30.660 30.300 -0.018 0.000 1.046 138 R HN -0.067 nan 8.270 nan 0.000 0.513 139 V N 1.353 121.254 119.914 -0.021 0.000 2.427 139 V HA -0.246 3.880 4.120 0.009 0.000 0.248 139 V C 2.493 178.575 176.094 -0.021 0.000 1.051 139 V CA 1.778 64.063 62.300 -0.025 0.000 1.048 139 V CB -0.487 31.314 31.823 -0.036 0.000 0.666 139 V HN 0.297 nan 8.190 nan 0.000 0.456 140 R N 0.498 120.985 120.500 -0.021 0.000 2.083 140 R HA -0.170 4.175 4.340 0.009 0.000 0.237 140 R C 2.341 178.646 176.300 0.008 0.000 1.137 140 R CA 2.079 58.170 56.100 -0.016 0.000 0.951 140 R CB -0.850 29.441 30.300 -0.016 0.000 0.851 140 R HN 0.509 nan 8.270 nan 0.000 0.434 141 G N 1.290 110.101 108.800 0.018 0.000 2.418 141 G HA2 -0.274 3.692 3.960 0.009 0.000 0.217 141 G HA3 -0.274 3.692 3.960 0.009 0.000 0.217 141 G C 1.326 176.255 174.900 0.048 0.000 1.158 141 G CA 0.757 45.881 45.100 0.040 0.000 0.771 141 G HN 0.336 nan 8.290 nan 0.000 0.545 142 L N 0.583 121.823 121.223 0.028 0.000 2.017 142 L HA 0.067 4.412 4.340 0.009 0.000 0.208 142 L C 2.709 179.595 176.870 0.026 0.000 1.073 142 L CA 1.421 56.274 54.840 0.022 0.000 0.745 142 L CB -0.552 41.505 42.059 -0.002 0.000 0.894 142 L HN 0.215 nan 8.230 nan 0.000 0.432 143 L N -0.675 120.559 121.223 0.018 0.000 2.079 143 L HA -0.226 4.120 4.340 0.009 0.000 0.210 143 L C 2.526 179.427 176.870 0.051 0.000 1.081 143 L CA 1.579 56.435 54.840 0.026 0.000 0.752 143 L CB -0.680 41.378 42.059 -0.002 0.000 0.896 143 L HN 0.385 nan 8.230 nan 0.000 0.433 144 E N -0.089 120.145 120.200 0.057 0.000 2.110 144 E HA -0.189 4.167 4.350 0.009 0.000 0.193 144 E C 1.899 178.549 176.600 0.083 0.000 0.988 144 E CA 0.958 57.407 56.400 0.082 0.000 0.804 144 E CB -0.083 29.676 29.700 0.098 0.000 0.745 144 E HN 0.491 nan 8.360 nan 0.000 0.458 145 N N 0.453 119.200 118.700 0.080 0.000 2.171 145 N HA -0.097 4.648 4.740 0.009 0.000 0.184 145 N C 2.000 177.568 175.510 0.096 0.000 1.021 145 N CA 0.726 53.826 53.050 0.083 0.000 0.854 145 N CB -0.202 38.373 38.487 0.147 0.000 0.994 145 N HN 0.000 nan 8.380 nan 0.000 0.426 146 V N 1.818 121.777 119.914 0.076 0.000 2.332 146 V HA -0.217 3.908 4.120 0.009 0.000 0.248 146 V C 2.402 178.580 176.094 0.141 0.000 1.055 146 V CA 1.656 64.016 62.300 0.099 0.000 1.038 146 V CB -0.491 31.375 31.823 0.072 0.000 0.651 146 V HN 0.391 nan 8.190 nan 0.000 0.450 147 E N 0.040 120.310 120.200 0.116 0.000 2.077 147 E HA -0.242 4.114 4.350 0.009 0.000 0.193 147 E C 2.454 179.111 176.600 0.095 0.000 0.989 147 E CA 1.263 57.730 56.400 0.112 0.000 0.800 147 E CB -0.062 29.702 29.700 0.108 0.000 0.746 147 E HN 0.499 nan 8.360 nan 0.000 0.452 148 R N -0.431 120.126 120.500 0.095 0.000 2.148 148 R HA -0.096 4.249 4.340 0.009 0.000 0.227 148 R C 2.129 178.480 176.300 0.084 0.000 1.103 148 R CA 1.051 57.181 56.100 0.050 0.000 0.983 148 R CB -0.254 30.022 30.300 -0.041 0.000 0.874 148 R HN 0.485 nan 8.270 nan 0.000 0.451 149 W N 0.394 121.650 121.300 -0.073 0.000 2.476 149 W HA -0.050 4.616 4.660 0.010 0.000 0.281 149 W C 0.661 177.147 176.519 -0.055 0.000 1.230 149 W CA 1.392 58.697 57.345 -0.066 0.000 1.287 149 W CB 0.414 29.855 29.460 -0.032 0.000 1.108 149 W HN 0.348 nan 8.180 nan 0.000 0.567 150 G N 0.506 109.337 108.800 0.052 0.000 2.132 150 G HA2 -0.138 3.828 3.960 0.009 0.000 0.234 150 G HA3 -0.138 3.828 3.960 0.009 0.000 0.234 150 G C -0.187 174.710 174.900 -0.006 0.000 0.989 150 G CA 0.037 45.103 45.100 -0.056 0.000 0.676 150 G HN 0.553 nan 8.290 nan 0.000 0.522 151 A N 0.587 123.473 122.820 0.111 0.000 2.342 151 A HA 0.883 5.209 4.320 0.009 0.000 0.323 151 A C -2.128 175.528 177.584 0.120 0.000 1.125 151 A CA -1.529 50.585 52.037 0.127 0.000 0.785 151 A CB 1.705 20.843 19.000 0.231 0.000 1.221 151 A HN 0.185 nan 8.150 nan 0.000 0.463 152 P HA 0.480 nan 4.420 nan 0.000 0.276 152 P C -1.078 176.284 177.300 0.104 0.000 1.235 152 P CA 0.144 63.306 63.100 0.104 0.000 0.772 152 P CB 0.656 32.411 31.700 0.092 0.000 0.871 153 L N -0.092 121.194 121.223 0.105 0.000 2.838 153 L HA 0.905 5.250 4.340 0.009 0.000 0.266 153 L C -1.474 175.444 176.870 0.080 0.000 1.040 153 L CA -1.400 53.492 54.840 0.088 0.000 0.906 153 L CB 0.966 43.072 42.059 0.077 0.000 1.501 153 L HN 0.322 nan 8.230 nan 0.000 0.407 154 A N 0.692 123.550 122.820 0.064 0.000 2.324 154 A HA 0.888 5.213 4.320 0.009 0.000 0.330 154 A C -0.858 176.745 177.584 0.031 0.000 1.165 154 A CA -0.728 51.334 52.037 0.042 0.000 0.813 154 A CB 1.594 20.620 19.000 0.044 0.000 1.197 154 A HN 0.740 nan 8.150 nan 0.000 0.484 155 V N 2.580 122.499 119.914 0.007 0.000 2.409 155 V HA 0.600 4.726 4.120 0.009 0.000 0.291 155 V C 0.446 176.536 176.094 -0.007 0.000 1.020 155 V CA -0.103 62.197 62.300 -0.000 0.000 0.848 155 V CB 1.408 33.225 31.823 -0.009 0.000 0.990 155 V HN 1.116 nan 8.190 nan 0.000 0.430 156 T N 1.665 116.227 114.554 0.012 0.000 2.950 156 T HA 0.644 5.000 4.350 0.009 0.000 0.288 156 T C -0.544 174.154 174.700 -0.005 0.000 1.035 156 T CA -0.747 61.363 62.100 0.015 0.000 1.028 156 T CB 2.217 71.124 68.868 0.066 0.000 1.109 156 T HN 0.595 nan 8.240 nan 0.000 0.514 157 Q N 0.571 120.363 119.800 -0.013 0.000 3.090 157 Q HA 0.584 4.930 4.340 0.009 0.000 0.241 157 Q C -1.475 174.509 176.000 -0.027 0.000 0.958 157 Q CA -0.684 55.105 55.803 -0.023 0.000 0.715 157 Q CB 0.358 29.078 28.738 -0.029 0.000 1.298 157 Q HN 1.041 nan 8.270 nan 0.000 0.468 158 A N 2.970 125.772 122.820 -0.029 0.000 2.587 158 A HA 0.805 5.131 4.320 0.009 0.000 0.293 158 A C -2.919 174.639 177.584 -0.044 0.000 1.087 158 A CA -1.504 50.508 52.037 -0.041 0.000 0.692 158 A CB 1.457 20.424 19.000 -0.054 0.000 1.291 158 A HN 0.444 nan 8.150 nan 0.000 0.407 159 P HA 0.226 nan 4.420 nan 0.000 0.268 159 P C -2.008 175.259 177.300 -0.055 0.000 1.204 159 P CA -0.838 62.234 63.100 -0.047 0.000 0.768 159 P CB 0.306 31.979 31.700 -0.045 0.000 0.842 160 P HA -0.201 nan 4.420 nan 0.000 0.216 160 P C 1.585 178.854 177.300 -0.051 0.000 1.154 160 P CA 1.513 64.586 63.100 -0.046 0.000 0.865 160 P CB -0.063 31.613 31.700 -0.039 0.000 0.789 161 R N -0.139 120.334 120.500 -0.045 0.000 2.103 161 R HA -0.177 4.169 4.340 0.009 0.000 0.242 161 R C 2.027 178.285 176.300 -0.071 0.000 1.142 161 R CA 1.895 57.970 56.100 -0.043 0.000 0.960 161 R CB -0.847 29.433 30.300 -0.033 0.000 0.858 161 R HN 0.091 nan 8.270 nan 0.000 0.439 162 A N 0.981 123.746 122.820 -0.092 0.000 1.930 162 A HA -0.084 4.241 4.320 0.009 0.000 0.217 162 A C 2.203 179.643 177.584 -0.239 0.000 1.175 162 A CA 1.087 53.044 52.037 -0.134 0.000 0.627 162 A CB -0.400 18.530 19.000 -0.118 0.000 0.815 162 A HN 0.344 nan 8.150 nan 0.000 0.443 163 L N -0.877 120.196 121.223 -0.249 0.000 2.056 163 L HA -0.170 4.176 4.340 0.009 0.000 0.207 163 L C 3.098 179.782 176.870 -0.311 0.000 1.078 163 L CA 1.058 55.635 54.840 -0.438 0.000 0.749 163 L CB -0.716 41.242 42.059 -0.170 0.000 0.901 163 L HN 0.432 nan 8.230 nan 0.000 0.433 164 A N -0.163 122.599 122.820 -0.097 0.000 1.902 164 A HA -0.188 4.137 4.320 0.009 0.000 0.217 164 A C 2.220 179.791 177.584 -0.021 0.000 1.181 164 A CA 1.432 53.474 52.037 0.009 0.000 0.623 164 A CB -0.339 18.677 19.000 0.027 0.000 0.818 164 A HN 0.344 nan 8.150 nan 0.000 0.443 165 E N -0.064 120.088 120.200 -0.079 0.000 2.077 165 E HA -0.147 4.209 4.350 0.009 0.000 0.193 165 E C 2.306 178.850 176.600 -0.094 0.000 0.989 165 E CA 1.374 57.732 56.400 -0.069 0.000 0.800 165 E CB -0.574 29.080 29.700 -0.077 0.000 0.746 165 E HN 0.591 nan 8.360 nan 0.000 0.452 166 A N 0.080 122.760 122.820 -0.233 0.000 1.930 166 A HA -0.057 4.269 4.320 0.009 0.000 0.215 166 A C 1.697 179.266 177.584 -0.025 0.000 1.176 166 A CA 0.952 52.837 52.037 -0.253 0.000 0.632 166 A CB -0.243 18.424 19.000 -0.556 0.000 0.819 166 A HN 0.129 nan 8.150 nan 0.000 0.445 167 F N -1.161 118.802 119.950 0.021 0.000 2.602 167 F HA 0.410 4.942 4.527 0.009 0.000 0.284 167 F C 1.816 177.645 175.800 0.048 0.000 1.111 167 F CA -0.027 57.966 58.000 -0.012 0.000 1.405 167 F CB -1.088 37.993 39.000 0.136 0.000 1.121 167 F HN 0.413 nan 8.300 nan 0.000 0.603 168 G N 0.705 109.664 108.800 0.265 0.000 2.575 168 G HA2 -0.296 3.670 3.960 0.009 0.000 0.267 168 G HA3 -0.296 3.670 3.960 0.009 0.000 0.267 168 G C 0.328 175.407 174.900 0.300 0.000 1.264 168 G CA 0.068 45.299 45.100 0.219 0.000 0.935 168 G HN 0.527 nan 8.290 nan 0.000 0.568 169 T N -2.458 112.234 114.554 0.230 0.000 4.219 169 T HA 0.402 4.758 4.350 0.009 0.000 0.263 169 T C 0.600 175.479 174.700 0.299 0.000 1.217 169 T CA 0.826 63.050 62.100 0.207 0.000 1.145 169 T CB 0.240 69.139 68.868 0.051 0.000 1.298 169 T HN 0.889 nan 8.240 nan 0.000 0.999 170 Y N 1.403 121.824 120.300 0.201 0.000 2.462 170 Y HA 0.486 5.042 4.550 0.009 0.000 0.253 170 Y C -0.250 175.584 175.900 -0.110 0.000 1.095 170 Y CA -1.699 56.408 58.100 0.012 0.000 1.283 170 Y CB 0.558 38.838 38.460 -0.301 0.000 1.138 170 Y HN 0.475 nan 8.280 nan 0.000 0.522 171 F N -0.587 119.509 119.950 0.245 0.000 2.425 171 F HA 0.293 4.826 4.527 0.010 0.000 0.331 171 F C 1.097 177.016 175.800 0.198 0.000 1.085 171 F CA -0.509 57.565 58.000 0.123 0.000 1.028 171 F CB 1.199 40.298 39.000 0.164 0.000 1.177 171 F HN -0.066 nan 8.300 nan 0.000 0.487 172 H N 0.366 119.684 119.070 0.415 0.000 2.428 172 H HA 0.175 4.737 4.556 0.009 0.000 0.296 172 H C -0.029 175.462 175.328 0.273 0.000 1.062 172 H CA 1.082 57.353 56.048 0.372 0.000 1.350 172 H CB 0.252 30.132 29.762 0.197 0.000 1.403 172 H HN 0.296 nan 8.280 nan 0.000 0.533 173 R N 0.181 120.904 120.500 0.371 0.000 2.651 173 R HA 0.541 4.886 4.340 0.009 0.000 0.278 173 R C -1.719 174.680 176.300 0.164 0.000 1.010 173 R CA -0.712 55.529 56.100 0.235 0.000 0.896 173 R CB 3.121 33.522 30.300 0.168 0.000 1.211 173 R HN -0.145 nan 8.270 nan 0.000 0.456 174 V N 3.317 123.297 119.914 0.111 0.000 2.638 174 V HA 0.388 4.513 4.120 0.009 0.000 0.306 174 V C -1.117 174.984 176.094 0.011 0.000 1.052 174 V CA -0.878 61.433 62.300 0.018 0.000 0.885 174 V CB 2.113 33.949 31.823 0.022 0.000 0.999 174 V HN 0.518 nan 8.190 nan 0.000 0.424 175 L N 6.019 127.223 121.223 -0.031 0.000 2.313 175 L HA 0.725 5.070 4.340 0.009 0.000 0.283 175 L C -0.975 175.870 176.870 -0.042 0.000 1.013 175 L CA -0.349 54.474 54.840 -0.029 0.000 0.816 175 L CB 1.445 43.475 42.059 -0.049 0.000 1.236 175 L HN 0.632 nan 8.230 nan 0.000 0.419 176 L N 4.927 126.139 121.223 -0.019 0.000 2.337 176 L HA 0.486 4.832 4.340 0.009 0.000 0.269 176 L C -0.967 175.864 176.870 -0.065 0.000 1.018 176 L CA -0.139 54.690 54.840 -0.019 0.000 0.876 176 L CB 0.789 42.867 42.059 0.031 0.000 1.236 176 L HN 0.662 nan 8.230 nan 0.000 0.436 177 D N 4.204 124.548 120.400 -0.093 0.000 2.422 177 D HA 0.496 5.142 4.640 0.009 0.000 0.227 177 D C -0.088 176.130 176.300 -0.138 0.000 1.190 177 D CA 0.087 54.005 54.000 -0.136 0.000 0.905 177 D CB 1.046 41.792 40.800 -0.091 0.000 1.034 177 D HN 0.675 nan 8.370 nan 0.000 0.507 178 A N 4.665 127.364 122.820 -0.202 0.000 2.322 178 A HA 0.552 4.878 4.320 0.009 0.000 0.269 178 A C -2.112 175.405 177.584 -0.112 0.000 1.094 178 A CA -1.204 50.767 52.037 -0.109 0.000 0.807 178 A CB 0.189 19.180 19.000 -0.015 0.000 1.047 178 A HN 0.523 nan 8.150 nan 0.000 0.487 179 P HA 0.279 nan 4.420 nan 0.000 0.268 179 P C -0.185 177.071 177.300 -0.074 0.000 1.204 179 P CA 0.111 63.169 63.100 -0.071 0.000 0.768 179 P CB 0.119 31.789 31.700 -0.052 0.000 0.842 180 C N 0.321 119.566 119.300 -0.092 0.000 3.335 180 C HA 0.531 4.996 4.460 0.009 0.000 0.356 180 C C 1.890 176.838 174.990 -0.070 0.000 1.570 180 C CA 0.040 59.004 59.018 -0.092 0.000 1.271 180 C CB 1.042 28.692 27.740 -0.150 0.000 1.873 180 C HN 0.540 nan 8.230 nan 0.000 0.439 181 S N -0.098 115.576 115.700 -0.044 0.000 2.515 181 S HA 0.320 4.795 4.470 0.009 0.000 0.231 181 S C 1.521 176.134 174.600 0.023 0.000 0.987 181 S CA 1.255 59.485 58.200 0.049 0.000 0.936 181 S CB -1.036 62.262 63.200 0.163 0.000 0.766 181 S HN 2.903 nan 8.310 nan 0.000 0.528 182 G N 1.535 110.245 108.800 -0.149 0.000 2.273 182 G HA2 -0.300 3.666 3.960 0.009 0.000 0.280 182 G HA3 -0.300 3.666 3.960 0.009 0.000 0.280 182 G C 0.353 174.921 174.900 -0.554 0.000 1.047 182 G CA 0.504 45.444 45.100 -0.266 0.000 0.869 182 G HN 0.621 nan 8.290 nan 0.000 0.502 183 E N -0.260 119.498 120.200 -0.737 0.000 2.265 183 E HA 0.106 4.461 4.350 0.009 0.000 0.196 183 E C 2.190 178.159 176.600 -1.051 0.000 0.996 183 E CA 0.362 55.918 56.400 -1.407 0.000 0.832 183 E CB 0.053 29.336 29.700 -0.696 0.000 0.756 183 E HN 0.675 nan 8.360 nan 0.000 0.491 187 R N 1.235 121.829 120.500 0.156 0.000 2.092 187 R HA -0.016 4.329 4.340 0.009 0.000 0.231 187 R C 1.493 177.814 176.300 0.035 0.000 1.119 187 R CA 1.687 57.831 56.100 0.072 0.000 0.970 187 R CB 0.083 30.412 30.300 0.048 0.000 0.864 187 R HN 0.189 nan 8.270 nan 0.000 0.440 188 K N -0.929 119.485 120.400 0.023 0.000 2.352 188 K HA 0.008 4.333 4.320 0.009 0.000 0.194 188 K C -0.350 176.265 176.600 0.024 0.000 1.038 188 K CA 0.221 56.504 56.287 -0.007 0.000 1.023 188 K CB 0.511 32.975 32.500 -0.059 0.000 0.840 188 K HN 0.009 nan 8.250 nan 0.000 0.519 189 D N 0.839 121.271 120.400 0.054 0.000 2.421 189 D HA 0.058 4.703 4.640 0.009 0.000 0.254 189 D C 0.539 176.879 176.300 0.068 0.000 1.238 189 D CA -0.482 53.556 54.000 0.063 0.000 0.919 189 D CB 0.862 41.708 40.800 0.075 0.000 1.152 189 D HN 0.047 nan 8.370 nan 0.000 0.552 190 R N 2.260 122.783 120.500 0.038 0.000 2.328 190 R HA 0.035 4.380 4.340 0.009 0.000 0.207 190 R C 0.222 176.521 176.300 -0.002 0.000 1.056 190 R CA 0.858 56.962 56.100 0.007 0.000 1.016 190 R CB 0.185 30.485 30.300 -0.001 0.000 0.872 190 R HN 0.145 nan 8.270 nan 0.000 0.471 191 E N 0.638 120.860 120.200 0.036 0.000 2.472 191 E HA 0.120 4.476 4.350 0.009 0.000 0.196 191 E C 1.545 178.205 176.600 0.100 0.000 1.033 191 E CA 0.663 57.089 56.400 0.043 0.000 0.886 191 E CB 0.726 30.475 29.700 0.081 0.000 0.944 191 E HN 0.475 nan 8.360 nan 0.000 0.492 192 A N 1.330 124.239 122.820 0.148 0.000 2.014 192 A HA 0.083 4.409 4.320 0.009 0.000 0.218 192 A C 2.327 180.063 177.584 0.253 0.000 1.163 192 A CA 1.338 53.546 52.037 0.284 0.000 0.652 192 A CB -0.216 18.977 19.000 0.322 0.000 0.808 192 A HN 0.216 nan 8.150 nan 0.000 0.449 193 A N 0.096 122.867 122.820 -0.082 0.000 1.969 193 A HA -0.116 4.209 4.320 0.009 0.000 0.218 193 A C 2.148 179.653 177.584 -0.132 0.000 1.169 193 A CA 1.261 53.045 52.037 -0.422 0.000 0.635 193 A CB -0.432 18.169 19.000 -0.664 0.000 0.810 193 A HN 0.542 nan 8.150 nan 0.000 0.445 194 R N -0.804 119.601 120.500 -0.158 0.000 2.117 194 R HA -0.158 4.187 4.340 0.009 0.000 0.243 194 R C 1.730 177.902 176.300 -0.214 0.000 1.143 194 R CA 1.686 57.635 56.100 -0.252 0.000 0.968 194 R CB -0.462 29.560 30.300 -0.462 0.000 0.863 194 R HN 0.693 nan 8.270 nan 0.000 0.444 195 H N -2.250 116.885 119.070 0.109 0.000 2.551 195 H HA -0.028 4.529 4.556 0.001 0.000 0.266 195 H C 0.305 175.727 175.328 0.156 0.000 0.964 195 H CA -0.018 56.094 56.048 0.107 0.000 1.180 195 H CB -0.128 29.688 29.762 0.089 0.000 1.408 195 H HN 0.197 nan 8.280 nan 0.000 0.563 196 W N 1.872 123.248 121.300 0.127 0.000 2.202 196 W HA 0.398 5.061 4.660 0.005 0.000 0.332 196 W C 0.232 176.796 176.519 0.074 0.000 1.263 196 W CA 0.485 57.908 57.345 0.130 0.000 1.223 196 W CB 0.885 30.475 29.460 0.218 0.000 1.128 196 W HN 0.062 nan 8.180 nan 0.000 0.573 197 G N 4.131 112.536 108.800 -0.660 0.000 2.692 197 G HA2 0.379 4.344 3.960 0.009 0.000 0.291 197 G HA3 0.379 4.344 3.960 0.009 0.000 0.291 197 G C -2.675 171.417 174.900 -1.346 0.000 1.423 197 G CA -1.111 43.604 45.100 -0.642 0.000 0.843 197 G HN 0.218 nan 8.290 nan 0.000 0.486 198 P HA -0.051 nan 4.420 nan 0.000 0.222 198 P C 1.830 178.916 177.300 -0.356 0.000 1.147 198 P CA 1.686 64.505 63.100 -0.468 0.000 0.790 198 P CB 0.327 31.981 31.700 -0.077 0.000 0.780 199 S N -1.689 113.813 115.700 -0.330 0.000 2.558 199 S HA 0.242 4.717 4.470 0.009 0.000 0.217 199 S C 1.893 176.343 174.600 -0.249 0.000 0.975 199 S CA 0.369 58.437 58.200 -0.220 0.000 0.912 199 S CB -0.839 62.269 63.200 -0.153 0.000 0.776 199 S HN 0.061 nan 8.310 nan 0.000 0.526 200 A N 3.257 125.836 122.820 -0.402 0.000 1.877 200 A HA 0.113 4.438 4.320 0.009 0.000 0.216 200 A C 0.078 177.539 177.584 -0.205 0.000 1.186 200 A CA 1.383 53.217 52.037 -0.339 0.000 0.620 200 A CB -1.825 16.858 19.000 -0.528 0.000 0.822 200 A HN 0.519 nan 8.150 nan 0.000 0.443 201 P HA -0.168 nan 4.420 nan 0.000 0.215 201 P C 1.274 178.531 177.300 -0.071 0.000 1.157 201 P CA 1.589 64.652 63.100 -0.060 0.000 0.868 201 P CB -0.082 31.623 31.700 0.007 0.000 0.788 202 K N -0.733 119.617 120.400 -0.083 0.000 2.057 202 K HA -0.108 4.217 4.320 0.009 0.000 0.207 202 K C 1.585 178.138 176.600 -0.079 0.000 1.049 202 K CA 0.643 56.885 56.287 -0.075 0.000 0.931 202 K CB -0.199 32.259 32.500 -0.071 0.000 0.714 202 K HN 0.071 nan 8.250 nan 0.000 0.440 206 E N 0.813 120.955 120.200 -0.096 0.000 2.077 206 E HA -0.102 4.254 4.350 0.009 0.000 0.193 206 E C 2.071 178.622 176.600 -0.082 0.000 0.989 206 E CA 1.669 58.004 56.400 -0.107 0.000 0.800 206 E CB -0.401 29.247 29.700 -0.086 0.000 0.746 206 E HN 0.438 nan 8.360 nan 0.000 0.452 207 V N 1.317 121.196 119.914 -0.059 0.000 2.358 207 V HA -0.266 3.860 4.120 0.009 0.000 0.246 207 V C 2.365 178.439 176.094 -0.034 0.000 1.047 207 V CA 1.808 64.083 62.300 -0.043 0.000 1.035 207 V CB -0.510 31.291 31.823 -0.036 0.000 0.658 207 V HN 0.239 nan 8.190 nan 0.000 0.452 208 Q N -0.195 119.592 119.800 -0.023 0.000 2.079 208 Q HA -0.201 4.145 4.340 0.009 0.000 0.200 208 Q C 2.310 178.267 176.000 -0.072 0.000 0.974 208 Q CA 1.484 57.294 55.803 0.011 0.000 0.840 208 Q CB -0.228 28.572 28.738 0.103 0.000 0.898 208 Q HN 0.588 nan 8.270 nan 0.000 0.430 209 K N 0.415 120.752 120.400 -0.104 0.000 2.063 209 K HA -0.155 4.171 4.320 0.009 0.000 0.208 209 K C 2.114 178.701 176.600 -0.021 0.000 1.048 209 K CA 1.317 57.545 56.287 -0.097 0.000 0.928 209 K CB -0.221 32.128 32.500 -0.251 0.000 0.713 209 K HN 0.171 nan 8.250 nan 0.000 0.442 210 A N 1.187 123.989 122.820 -0.030 0.000 1.898 210 A HA -0.096 4.229 4.320 0.009 0.000 0.216 210 A C 2.116 179.691 177.584 -0.016 0.000 1.181 210 A CA 1.131 53.166 52.037 -0.003 0.000 0.620 210 A CB -0.540 18.452 19.000 -0.014 0.000 0.819 210 A HN 0.145 nan 8.150 nan 0.000 0.442 211 L N -1.194 120.008 121.223 -0.035 0.000 2.056 211 L HA -0.148 4.198 4.340 0.009 0.000 0.207 211 L C 2.518 179.334 176.870 -0.090 0.000 1.078 211 L CA 0.940 55.754 54.840 -0.044 0.000 0.749 211 L CB -0.441 41.604 42.059 -0.023 0.000 0.901 211 L HN 0.403 nan 8.230 nan 0.000 0.433 212 L N 0.055 121.185 121.223 -0.156 0.000 2.093 212 L HA -0.123 4.223 4.340 0.009 0.000 0.208 212 L C 2.645 179.333 176.870 -0.304 0.000 1.085 212 L CA 1.895 56.517 54.840 -0.364 0.000 0.755 212 L CB -0.771 40.906 42.059 -0.637 0.000 0.904 212 L HN 0.156 nan 8.230 nan 0.000 0.435 213 A N -1.237 121.544 122.820 -0.065 0.000 1.908 213 A HA -0.241 4.084 4.320 0.009 0.000 0.218 213 A C 2.145 179.740 177.584 0.018 0.000 1.181 213 A CA 1.718 53.793 52.037 0.064 0.000 0.627 213 A CB -0.499 18.608 19.000 0.180 0.000 0.818 213 A HN 0.563 nan 8.150 nan 0.000 0.445 214 Q N -0.626 119.169 119.800 -0.009 0.000 2.079 214 Q HA -0.071 4.275 4.340 0.009 0.000 0.200 214 Q C 2.459 178.448 176.000 -0.018 0.000 0.974 214 Q CA 1.509 57.311 55.803 -0.002 0.000 0.840 214 Q CB -0.827 27.904 28.738 -0.012 0.000 0.898 214 Q HN 0.657 nan 8.270 nan 0.000 0.430 215 A N 1.600 124.374 122.820 -0.077 0.000 1.908 215 A HA -0.223 4.103 4.320 0.009 0.000 0.218 215 A C 2.393 179.943 177.584 -0.056 0.000 1.181 215 A CA 2.313 54.300 52.037 -0.085 0.000 0.627 215 A CB -0.752 18.155 19.000 -0.156 0.000 0.818 215 A HN 0.507 nan 8.150 nan 0.000 0.445 216 S N -0.065 115.552 115.700 -0.138 0.000 2.419 216 S HA -0.188 4.288 4.470 0.009 0.000 0.233 216 S C 1.813 176.521 174.600 0.180 0.000 1.016 216 S CA 1.226 59.379 58.200 -0.077 0.000 0.974 216 S CB -0.506 62.470 63.200 -0.373 0.000 0.786 216 S HN 0.640 nan 8.310 nan 0.000 0.492 217 R N 0.362 120.939 120.500 0.129 0.000 2.285 217 R HA 0.234 4.580 4.340 0.009 0.000 0.213 217 R C 1.416 177.833 176.300 0.195 0.000 1.068 217 R CA 0.850 57.044 56.100 0.157 0.000 1.004 217 R CB -0.395 29.974 30.300 0.114 0.000 0.873 217 R HN 0.432 nan 8.270 nan 0.000 0.467 218 L N 0.261 121.617 121.223 0.221 0.000 2.607 218 L HA 0.184 4.530 4.340 0.009 0.000 0.228 218 L C 0.297 177.403 176.870 0.392 0.000 1.123 218 L CA -0.028 55.016 54.840 0.340 0.000 0.890 218 L CB 0.356 42.594 42.059 0.298 0.000 1.103 218 L HN 0.039 nan 8.230 nan 0.000 0.468 219 L N 0.010 121.401 121.223 0.281 0.000 2.289 219 L HA 0.440 4.785 4.340 0.009 0.000 0.285 219 L C 0.888 177.763 176.870 0.008 0.000 1.049 219 L CA -0.465 54.505 54.840 0.216 0.000 0.804 219 L CB 1.384 43.595 42.059 0.253 0.000 1.195 219 L HN 0.021 nan 8.230 nan 0.000 0.428 220 G N 3.382 112.063 108.800 -0.198 0.000 2.563 220 G HA2 0.381 4.347 3.960 0.009 0.000 0.283 220 G HA3 0.381 4.347 3.960 0.009 0.000 0.283 220 G C -2.584 171.810 174.900 -0.843 0.000 1.309 220 G CA -1.018 43.558 45.100 -0.872 0.000 1.022 220 G HN 0.377 nan 8.290 nan 0.000 0.501 221 P HA 0.160 nan 4.420 nan 0.000 0.271 221 P C 0.734 177.829 177.300 -0.341 0.000 1.220 221 P CA 1.211 63.963 63.100 -0.581 0.000 0.768 221 P CB 0.982 32.363 31.700 -0.531 0.000 0.848 222 G N 2.087 110.775 108.800 -0.187 0.000 2.162 222 G HA2 -0.196 3.770 3.960 0.009 0.000 0.260 222 G HA3 -0.196 3.770 3.960 0.009 0.000 0.260 222 G C 0.581 175.494 174.900 0.021 0.000 0.976 222 G CA -0.072 45.002 45.100 -0.045 0.000 0.655 222 G HN 0.894 nan 8.290 nan 0.000 0.533 223 G N -1.047 107.733 108.800 -0.033 0.000 2.554 223 G HA2 0.531 4.496 3.960 0.009 0.000 0.238 223 G HA3 0.531 4.496 3.960 0.009 0.000 0.238 223 G C -0.018 174.965 174.900 0.139 0.000 1.259 223 G CA 0.369 45.525 45.100 0.092 0.000 0.843 223 G HN 0.996 nan 8.290 nan 0.000 0.582 224 V N 2.342 122.374 119.914 0.196 0.000 2.417 224 V HA 0.433 4.559 4.120 0.009 0.000 0.291 224 V C -0.271 175.962 176.094 0.233 0.000 1.024 224 V CA -0.690 61.733 62.300 0.205 0.000 0.861 224 V CB 1.340 33.256 31.823 0.155 0.000 0.985 224 V HN 0.654 nan 8.190 nan 0.000 0.436 225 L N 6.571 127.977 121.223 0.305 0.000 2.333 225 L HA 0.770 5.116 4.340 0.009 0.000 0.280 225 L C -0.698 176.348 176.870 0.293 0.000 1.004 225 L CA -0.023 54.974 54.840 0.262 0.000 0.820 225 L CB 1.899 44.093 42.059 0.225 0.000 1.247 225 L HN 0.417 nan 8.230 nan 0.000 0.416 226 V N 5.361 125.378 119.914 0.171 0.000 2.495 226 V HA 0.395 4.521 4.120 0.009 0.000 0.298 226 V C -1.239 174.949 176.094 0.157 0.000 1.031 226 V CA -0.591 61.794 62.300 0.143 0.000 0.871 226 V CB 1.561 33.407 31.823 0.039 0.000 0.988 226 V HN 0.694 nan 8.190 nan 0.000 0.432 227 Y N 4.422 124.755 120.300 0.054 0.000 2.335 227 Y HA 0.711 5.267 4.550 0.009 0.000 0.338 227 Y C 0.129 176.026 175.900 -0.006 0.000 0.977 227 Y CA -0.494 57.623 58.100 0.028 0.000 1.114 227 Y CB 1.812 40.339 38.460 0.111 0.000 1.182 227 Y HN 0.701 nan 8.280 nan 0.000 0.463 228 S N 3.425 118.809 115.700 -0.527 0.000 2.549 228 S HA 0.862 5.338 4.470 0.009 0.000 0.280 228 S C -0.697 173.563 174.600 -0.568 0.000 1.109 228 S CA -0.347 57.601 58.200 -0.420 0.000 0.905 228 S CB 1.821 64.937 63.200 -0.141 0.000 1.081 228 S HN 0.955 nan 8.310 nan 0.000 0.477 229 T N -2.207 112.068 114.554 -0.464 0.000 2.883 229 T HA 0.572 4.927 4.350 0.009 0.000 0.296 229 T C 0.250 174.476 174.700 -0.791 0.000 1.117 229 T CA -0.516 61.281 62.100 -0.505 0.000 1.006 229 T CB 0.935 69.587 68.868 -0.360 0.000 1.191 229 T HN 1.618 nan 8.240 nan 0.000 0.508 230 C N 0.577 119.448 119.300 -0.715 0.000 2.422 230 C HA 0.694 5.160 4.460 0.009 0.000 0.301 230 C C 0.522 175.116 174.990 -0.661 0.000 1.444 230 C CA -0.464 58.083 59.018 -0.786 0.000 1.771 230 C CB -2.053 25.366 27.740 -0.535 0.000 2.834 230 C HN 0.986 nan 8.230 nan 0.000 0.545 231 T N -0.977 113.206 114.554 -0.618 0.000 2.901 231 T HA 0.666 5.021 4.350 0.009 0.000 0.293 231 T C -0.015 174.323 174.700 -0.603 0.000 1.084 231 T CA -0.217 61.513 62.100 -0.617 0.000 1.008 231 T CB 0.931 69.611 68.868 -0.314 0.000 1.170 231 T HN 0.210 nan 8.240 nan 0.000 0.509 232 F N 1.256 121.161 119.950 -0.075 0.000 2.656 232 F HA 0.480 5.013 4.527 0.009 0.000 0.291 232 F C 1.734 177.484 175.800 -0.084 0.000 1.122 232 F CA -0.336 57.616 58.000 -0.080 0.000 1.427 232 F CB -0.433 38.640 39.000 0.121 0.000 1.125 232 F HN 0.590 nan 8.300 nan 0.000 0.583 233 A N 2.146 125.035 122.820 0.115 0.000 2.566 233 A HA 0.113 4.438 4.320 0.009 0.000 0.245 233 A C -1.475 176.033 177.584 -0.127 0.000 1.056 233 A CA -0.825 51.228 52.037 0.027 0.000 0.757 233 A CB -0.274 18.790 19.000 0.107 0.000 0.979 233 A HN 0.071 nan 8.150 nan 0.000 0.508 234 P HA -0.142 nan 4.420 nan 0.000 0.216 234 P C 0.919 178.142 177.300 -0.129 0.000 1.150 234 P CA 1.387 64.352 63.100 -0.225 0.000 0.837 234 P CB 0.189 31.593 31.700 -0.494 0.000 0.786 235 E N -0.040 120.093 120.200 -0.112 0.000 2.118 235 E HA -0.196 4.159 4.350 0.009 0.000 0.195 235 E C 1.656 178.219 176.600 -0.061 0.000 0.992 235 E CA 1.230 57.590 56.400 -0.067 0.000 0.804 235 E CB -0.646 29.020 29.700 -0.057 0.000 0.741 235 E HN 0.469 nan 8.360 nan 0.000 0.458 236 E N -0.412 119.742 120.200 -0.077 0.000 2.474 236 E HA 0.058 4.414 4.350 0.009 0.000 0.194 236 E C 0.746 177.323 176.600 -0.039 0.000 1.041 236 E CA -0.048 56.330 56.400 -0.038 0.000 0.874 236 E CB 0.295 29.970 29.700 -0.042 0.000 0.914 236 E HN 0.163 nan 8.360 nan 0.000 0.498 237 N N 0.597 119.149 118.700 -0.247 0.000 2.528 237 N HA 0.008 4.753 4.740 0.009 0.000 0.208 237 N C 1.374 176.660 175.510 -0.375 0.000 1.218 237 N CA 0.222 52.831 53.050 -0.736 0.000 1.112 237 N CB -0.444 37.137 38.487 -1.510 0.000 1.423 237 N HN -0.120 nan 8.380 nan 0.000 0.497 238 E N 0.733 120.768 120.200 -0.274 0.000 2.160 238 E HA -0.058 4.298 4.350 0.009 0.000 0.195 238 E C 1.759 178.432 176.600 0.122 0.000 0.991 238 E CA 1.373 57.835 56.400 0.104 0.000 0.810 238 E CB -0.603 29.230 29.700 0.222 0.000 0.742 238 E HN 0.536 nan 8.360 nan 0.000 0.466 239 G N 0.219 109.057 108.800 0.062 0.000 2.421 239 G HA2 -0.239 3.726 3.960 0.009 0.000 0.216 239 G HA3 -0.239 3.726 3.960 0.009 0.000 0.216 239 G C 1.727 176.675 174.900 0.080 0.000 1.171 239 G CA 0.889 46.031 45.100 0.070 0.000 0.775 239 G HN 0.196 nan 8.290 nan 0.000 0.543 240 V N 0.428 120.361 119.914 0.031 0.000 2.307 240 V HA -0.150 3.975 4.120 0.009 0.000 0.245 240 V C 3.034 179.170 176.094 0.068 0.000 1.045 240 V CA 1.429 63.721 62.300 -0.014 0.000 1.024 240 V CB -0.299 31.431 31.823 -0.155 0.000 0.651 240 V HN 0.242 nan 8.190 nan 0.000 0.449 241 V N 0.369 120.362 119.914 0.132 0.000 2.295 241 V HA -0.257 3.869 4.120 0.009 0.000 0.246 241 V C 2.713 179.004 176.094 0.329 0.000 1.049 241 V CA 2.082 64.559 62.300 0.295 0.000 1.024 241 V CB -1.147 30.912 31.823 0.393 0.000 0.648 241 V HN 0.557 nan 8.190 nan 0.000 0.447 242 A N -0.841 122.128 122.820 0.248 0.000 1.902 242 A HA -0.289 4.037 4.320 0.009 0.000 0.217 242 A C 2.261 179.957 177.584 0.186 0.000 1.181 242 A CA 1.961 54.121 52.037 0.205 0.000 0.623 242 A CB -0.895 18.204 19.000 0.165 0.000 0.818 242 A HN 0.714 nan 8.150 nan 0.000 0.443 243 H N -1.537 117.599 119.070 0.109 0.000 2.319 243 H HA -0.193 4.369 4.556 0.010 0.000 0.299 243 H C 1.972 177.364 175.328 0.107 0.000 1.092 243 H CA 2.199 58.296 56.048 0.081 0.000 1.302 243 H CB -0.468 29.329 29.762 0.058 0.000 1.373 243 H HN 0.477 nan 8.280 nan 0.000 0.497 244 F N 1.348 121.352 119.950 0.090 0.000 2.095 244 F HA -0.184 4.349 4.527 0.010 0.000 0.298 244 F C 2.522 178.346 175.800 0.040 0.000 1.104 244 F CA 1.226 59.228 58.000 0.004 0.000 1.232 244 F CB -0.657 38.219 39.000 -0.205 0.000 0.987 244 F HN 0.084 nan 8.300 nan 0.000 0.475 245 L N 0.288 121.548 121.223 0.063 0.000 2.083 245 L HA -0.249 4.097 4.340 0.009 0.000 0.209 245 L C 2.594 179.417 176.870 -0.080 0.000 1.083 245 L CA 1.861 56.713 54.840 0.021 0.000 0.752 245 L CB -0.748 41.433 42.059 0.202 0.000 0.899 245 L HN 0.149 nan 8.230 nan 0.000 0.433 246 K N 0.334 120.679 120.400 -0.091 0.000 2.097 246 K HA -0.158 4.167 4.320 0.009 0.000 0.206 246 K C 1.955 178.426 176.600 -0.215 0.000 1.049 246 K CA 1.336 57.547 56.287 -0.127 0.000 0.933 246 K CB -0.026 32.397 32.500 -0.128 0.000 0.717 246 K HN 0.281 nan 8.250 nan 0.000 0.442 247 A N -0.022 122.605 122.820 -0.321 0.000 2.123 247 A HA -0.001 4.324 4.320 0.009 0.000 0.214 247 A C -0.136 177.022 177.584 -0.709 0.000 1.152 247 A CA 0.581 52.333 52.037 -0.476 0.000 0.728 247 A CB -0.154 18.537 19.000 -0.515 0.000 0.814 247 A HN 0.401 nan 8.150 nan 0.000 0.464 248 H N -0.981 117.831 119.070 -0.430 0.000 2.448 248 H HA 0.247 4.808 4.556 0.009 0.000 0.237 248 H C -2.152 173.091 175.328 -0.141 0.000 1.391 248 H CA -1.470 54.369 56.048 -0.349 0.000 1.477 248 H CB 0.820 30.130 29.762 -0.753 0.000 1.520 248 H HN 0.164 nan 8.280 nan 0.000 0.502 249 P HA -0.192 nan 4.420 nan 0.000 0.225 249 P C 1.172 178.499 177.300 0.046 0.000 1.148 249 P CA 1.013 64.118 63.100 0.010 0.000 0.779 249 P CB 0.587 32.271 31.700 -0.027 0.000 0.780 250 E N -0.219 120.020 120.200 0.064 0.000 2.427 250 E HA -0.078 4.278 4.350 0.009 0.000 0.196 250 E C -0.049 176.480 176.600 -0.118 0.000 1.028 250 E CA 0.220 56.600 56.400 -0.035 0.000 0.864 250 E CB -0.527 29.121 29.700 -0.086 0.000 0.813 250 E HN 0.237 nan 8.360 nan 0.000 0.514 251 F N 1.119 121.090 119.950 0.036 0.000 2.450 251 F HA 0.479 5.012 4.527 0.010 0.000 0.332 251 F C 0.666 176.583 175.800 0.195 0.000 1.093 251 F CA -0.920 57.160 58.000 0.133 0.000 1.003 251 F CB 1.674 40.765 39.000 0.151 0.000 1.151 251 F HN -0.223 nan 8.300 nan 0.000 0.474 252 R N 3.307 124.051 120.500 0.407 0.000 2.673 252 R HA 0.555 4.901 4.340 0.009 0.000 0.281 252 R C -1.598 174.881 176.300 0.299 0.000 0.991 252 R CA -0.787 55.493 56.100 0.301 0.000 0.896 252 R CB 1.514 31.905 30.300 0.151 0.000 1.201 252 R HN 0.725 nan 8.270 nan 0.000 0.457 253 L N 3.181 124.511 121.223 0.178 0.000 2.456 253 L HA 0.181 4.527 4.340 0.009 0.000 0.272 253 L C 0.209 177.072 176.870 -0.012 0.000 1.189 253 L CA 0.564 55.382 54.840 -0.036 0.000 0.846 253 L CB 0.763 42.762 42.059 -0.101 0.000 1.111 253 L HN 0.602 nan 8.230 nan 0.000 0.475 254 E N 1.168 121.335 120.200 -0.055 0.000 2.221 254 E HA 0.152 4.507 4.350 0.009 0.000 0.268 254 E C -1.106 175.461 176.600 -0.054 0.000 0.933 254 E CA -0.985 55.400 56.400 -0.025 0.000 0.809 254 E CB 1.650 31.352 29.700 0.004 0.000 1.190 254 E HN 0.399 nan 8.360 nan 0.000 0.406 255 D N 1.005 121.387 120.400 -0.029 0.000 2.472 255 D HA 0.015 4.660 4.640 0.009 0.000 0.248 255 D C -0.108 176.174 176.300 -0.029 0.000 1.174 255 D CA 0.303 54.286 54.000 -0.028 0.000 0.883 255 D CB 1.026 41.819 40.800 -0.012 0.000 1.149 255 D HN 0.519 nan 8.370 nan 0.000 0.488 256 A N 5.074 127.871 122.820 -0.038 0.000 2.348 256 A HA 0.085 4.410 4.320 0.009 0.000 0.224 256 A C 0.979 178.620 177.584 0.095 0.000 1.227 256 A CA -0.211 51.816 52.037 -0.017 0.000 0.885 256 A CB 0.157 19.091 19.000 -0.110 0.000 0.933 256 A HN 0.507 nan 8.150 nan 0.000 0.506 257 R N 0.961 121.508 120.500 0.079 0.000 3.268 257 R HA 0.255 4.601 4.340 0.009 0.000 0.217 257 R C 0.239 176.504 176.300 -0.057 0.000 1.568 257 R CA -0.243 55.931 56.100 0.123 0.000 1.322 257 R CB -0.186 30.159 30.300 0.075 0.000 1.280 257 R HN 0.451 nan 8.270 nan 0.000 0.667 258 L N 0.207 121.339 121.223 -0.151 0.000 2.191 258 L HA -0.103 4.243 4.340 0.009 0.000 0.212 258 L C 1.261 177.922 176.870 -0.349 0.000 1.103 258 L CA 1.190 55.888 54.840 -0.237 0.000 0.769 258 L CB -0.324 41.647 42.059 -0.146 0.000 0.908 258 L HN 0.549 nan 8.230 nan 0.000 0.438 259 H N -1.426 117.139 119.070 -0.842 0.000 2.930 259 H HA 0.194 4.756 4.556 0.010 0.000 0.371 259 H C -2.170 172.941 175.328 -0.361 0.000 1.169 259 H CA -1.539 54.172 56.048 -0.561 0.000 1.157 259 H CB 2.655 32.066 29.762 -0.585 0.000 1.789 259 H HN -0.309 nan 8.280 nan 0.000 0.547 260 P HA -0.063 nan 4.420 nan 0.000 0.221 260 P C 1.580 178.954 177.300 0.124 0.000 1.145 260 P CA 0.890 63.913 63.100 -0.128 0.000 0.795 260 P CB 0.303 31.880 31.700 -0.205 0.000 0.775 261 L N -2.897 118.572 121.223 0.410 0.000 2.291 261 L HA -0.045 4.301 4.340 0.009 0.000 0.214 261 L C 0.813 177.931 176.870 0.414 0.000 1.120 261 L CA 0.204 55.291 54.840 0.411 0.000 0.799 261 L CB -0.668 41.683 42.059 0.486 0.000 0.925 261 L HN -0.088 nan 8.230 nan 0.000 0.446 262 F N 1.137 121.139 119.950 0.088 0.000 2.529 262 F HA 0.249 4.782 4.527 0.010 0.000 0.365 262 F C 0.903 176.735 175.800 0.054 0.000 1.102 262 F CA -1.315 56.684 58.000 -0.002 0.000 1.271 262 F CB -0.135 38.833 39.000 -0.054 0.000 1.120 262 F HN -0.142 nan 8.300 nan 0.000 0.579 263 A N 6.112 129.084 122.820 0.253 0.000 2.304 263 A HA 0.643 4.969 4.320 0.009 0.000 0.301 263 A C -2.338 175.349 177.584 0.172 0.000 1.132 263 A CA -1.594 50.584 52.037 0.235 0.000 0.819 263 A CB 0.069 19.301 19.000 0.386 0.000 1.094 263 A HN 0.447 nan 8.150 nan 0.000 0.492 264 P HA 0.211 nan 4.420 nan 0.000 0.272 264 P C 0.534 177.900 177.300 0.110 0.000 1.223 264 P CA 0.202 63.356 63.100 0.090 0.000 0.784 264 P CB 0.598 32.330 31.700 0.053 0.000 0.923 265 G N 0.690 109.560 108.800 0.116 0.000 2.716 265 G HA2 0.326 4.292 3.960 0.009 0.000 0.251 265 G HA3 0.326 4.292 3.960 0.009 0.000 0.251 265 G C -0.682 174.239 174.900 0.036 0.000 1.224 265 G CA -0.405 44.801 45.100 0.177 0.000 0.891 265 G HN 0.368 nan 8.290 nan 0.000 0.561 266 V N 2.204 122.095 119.914 -0.038 0.000 2.326 266 V HA 0.197 4.323 4.120 0.009 0.000 0.281 266 V C -1.442 174.556 176.094 -0.160 0.000 1.015 266 V CA -1.012 61.103 62.300 -0.308 0.000 0.823 266 V CB 1.928 33.111 31.823 -1.068 0.000 1.009 266 V HN 0.527 nan 8.190 nan 0.000 0.436 267 P HA -0.195 nan 4.420 nan 0.000 0.216 267 P C 1.538 178.844 177.300 0.011 0.000 1.150 267 P CA 1.141 64.235 63.100 -0.009 0.000 0.843 267 P CB 0.443 32.134 31.700 -0.014 0.000 0.787 268 E N -1.537 118.626 120.200 -0.062 0.000 2.204 268 E HA -0.182 4.174 4.350 0.009 0.000 0.195 268 E C 0.819 177.565 176.600 0.243 0.000 0.990 268 E CA 0.819 57.244 56.400 0.040 0.000 0.821 268 E CB -0.232 29.465 29.700 -0.004 0.000 0.750 268 E HN 0.259 nan 8.360 nan 0.000 0.477 269 W N -0.086 121.243 121.300 0.048 0.000 3.256 269 W HA 0.309 4.976 4.660 0.011 0.000 0.269 269 W C 0.850 177.391 176.519 0.038 0.000 1.310 269 W CA 0.405 57.772 57.345 0.038 0.000 1.673 269 W CB 0.181 29.663 29.460 0.036 0.000 1.115 269 W HN 0.026 nan 8.180 nan 0.000 0.686 270 G N 0.223 109.168 108.800 0.243 0.000 4.740 270 G HA2 0.332 4.298 3.960 0.009 0.000 0.290 270 G HA3 0.332 4.298 3.960 0.009 0.000 0.290 270 G C 0.141 175.122 174.900 0.135 0.000 1.333 270 G CA -0.388 44.818 45.100 0.177 0.000 0.923 270 G HN 0.186 nan 8.290 nan 0.000 0.559 271 E N -0.599 119.674 120.200 0.122 0.000 2.971 271 E HA -0.287 4.069 4.350 0.009 0.000 0.278 271 E C 1.516 178.161 176.600 0.075 0.000 1.009 271 E CA 0.829 57.284 56.400 0.092 0.000 0.862 271 E CB -1.314 28.437 29.700 0.084 0.000 1.436 271 E HN 1.624 nan 8.360 nan 0.000 0.434 272 G N 0.630 109.476 108.800 0.077 0.000 2.155 272 G HA2 -0.375 3.591 3.960 0.009 0.000 0.257 272 G HA3 -0.375 3.591 3.960 0.009 0.000 0.257 272 G C 0.002 174.930 174.900 0.047 0.000 0.983 272 G CA 0.274 45.406 45.100 0.053 0.000 0.676 272 G HN 0.325 nan 8.290 nan 0.000 0.528 273 N N 0.922 119.659 118.700 0.062 0.000 2.431 273 N HA 0.342 5.087 4.740 0.009 0.000 0.265 273 N C -0.763 174.779 175.510 0.053 0.000 1.184 273 N CA -1.867 51.219 53.050 0.061 0.000 0.943 273 N CB 1.297 39.833 38.487 0.081 0.000 1.080 273 N HN 0.062 nan 8.380 nan 0.000 0.477 274 P HA -0.043 nan 4.420 nan 0.000 0.226 274 P C 0.734 178.054 177.300 0.034 0.000 1.153 274 P CA 0.718 63.835 63.100 0.028 0.000 0.777 274 P CB 0.416 32.129 31.700 0.021 0.000 0.794 275 E N -0.155 120.074 120.200 0.048 0.000 2.209 275 E HA -0.130 4.225 4.350 0.009 0.000 0.196 275 E C 1.858 178.488 176.600 0.050 0.000 0.993 275 E CA 0.852 57.282 56.400 0.051 0.000 0.819 275 E CB -0.703 29.041 29.700 0.072 0.000 0.745 275 E HN 0.378 nan 8.360 nan 0.000 0.477 276 L N 0.448 121.712 121.223 0.068 0.000 2.450 276 L HA -0.123 4.223 4.340 0.009 0.000 0.224 276 L C 2.279 179.187 176.870 0.064 0.000 1.149 276 L CA 0.269 55.162 54.840 0.089 0.000 0.816 276 L CB -0.322 41.809 42.059 0.120 0.000 0.932 276 L HN 0.105 nan 8.230 nan 0.000 0.449 277 L N -0.458 120.786 121.223 0.036 0.000 2.265 277 L HA -0.210 4.136 4.340 0.009 0.000 0.215 277 L C 2.233 179.114 176.870 0.017 0.000 1.117 277 L CA 1.175 56.029 54.840 0.023 0.000 0.782 277 L CB -0.385 41.682 42.059 0.013 0.000 0.914 277 L HN 0.248 nan 8.230 nan 0.000 0.441 278 K N -0.513 119.889 120.400 0.004 0.000 2.418 278 K HA 0.007 4.333 4.320 0.009 0.000 0.195 278 K C 1.028 177.588 176.600 -0.066 0.000 1.035 278 K CA 0.394 56.666 56.287 -0.024 0.000 1.003 278 K CB 0.007 32.486 32.500 -0.034 0.000 0.793 278 K HN 0.399 nan 8.250 nan 0.000 0.494 279 T N -1.038 113.480 114.554 -0.061 0.000 2.828 279 T HA 0.503 4.859 4.350 0.009 0.000 0.290 279 T C -0.026 174.599 174.700 -0.126 0.000 1.019 279 T CA -0.973 61.029 62.100 -0.163 0.000 1.031 279 T CB 1.629 70.441 68.868 -0.093 0.000 1.001 279 T HN 0.055 nan 8.240 nan 0.000 0.531 280 A N 1.409 124.057 122.820 -0.287 0.000 2.371 280 A HA 0.731 5.056 4.320 0.009 0.000 0.311 280 A C -0.256 177.181 177.584 -0.246 0.000 1.068 280 A CA -1.106 50.826 52.037 -0.175 0.000 0.744 280 A CB 1.220 20.152 19.000 -0.114 0.000 1.239 280 A HN 0.839 nan 8.150 nan 0.000 0.435 281 R N 1.257 121.681 120.500 -0.127 0.000 2.437 281 R HA 0.528 4.873 4.340 0.009 0.000 0.310 281 R C -1.630 174.439 176.300 -0.385 0.000 0.955 281 R CA -0.685 55.271 56.100 -0.239 0.000 0.851 281 R CB 1.533 31.711 30.300 -0.203 0.000 1.161 281 R HN 0.526 nan 8.270 nan 0.000 0.446 282 L N 3.672 124.598 121.223 -0.496 0.000 2.262 282 L HA 0.372 4.718 4.340 0.009 0.000 0.288 282 L C -0.909 175.860 176.870 -0.170 0.000 1.035 282 L CA -0.009 54.580 54.840 -0.420 0.000 0.820 282 L CB 0.487 42.170 42.059 -0.627 0.000 1.204 282 L HN 0.466 nan 8.230 nan 0.000 0.424 283 W N 5.275 126.603 121.300 0.047 0.000 2.520 283 W HA 0.440 5.105 4.660 0.009 0.000 0.323 283 W C -1.265 175.336 176.519 0.138 0.000 1.062 283 W CA -1.365 56.077 57.345 0.162 0.000 1.215 283 W CB 1.369 30.799 29.460 -0.050 0.000 1.340 283 W HN 0.378 nan 8.180 nan 0.000 0.516 284 P HA -0.214 nan 4.420 nan 0.000 0.226 284 P C 0.941 178.416 177.300 0.292 0.000 1.153 284 P CA 1.665 64.977 63.100 0.352 0.000 0.777 284 P CB 0.073 31.961 31.700 0.314 0.000 0.794 285 H N -1.613 117.597 119.070 0.234 0.000 2.539 285 H HA 0.288 4.850 4.556 0.009 0.000 0.269 285 H C 1.306 176.715 175.328 0.134 0.000 0.980 285 H CA 0.002 56.126 56.048 0.126 0.000 1.152 285 H CB -0.031 29.775 29.762 0.072 0.000 1.407 285 H HN 0.038 nan 8.280 nan 0.000 0.564 286 R N 0.486 120.916 120.500 -0.117 0.000 2.344 286 R HA 0.232 4.577 4.340 0.009 0.000 0.209 286 R C -0.009 176.354 176.300 0.105 0.000 0.886 286 R CA 0.117 56.185 56.100 -0.053 0.000 1.040 286 R CB 0.837 31.087 30.300 -0.083 0.000 1.114 286 R HN 0.263 nan 8.270 nan 0.000 0.547 287 L N -2.805 118.512 121.223 0.156 0.000 2.630 287 L HA 0.496 4.842 4.340 0.009 0.000 0.258 287 L C -0.513 176.512 176.870 0.257 0.000 1.072 287 L CA -1.135 53.852 54.840 0.245 0.000 0.885 287 L CB 1.217 43.456 42.059 0.301 0.000 1.502 287 L HN -0.213 nan 8.230 nan 0.000 0.406 288 E N -0.161 120.234 120.200 0.325 0.000 1.893 288 E HA 0.607 4.962 4.350 0.009 0.000 0.269 288 E C -0.410 176.451 176.600 0.435 0.000 1.129 288 E CA 0.124 56.653 56.400 0.215 0.000 0.904 288 E CB -0.060 29.567 29.700 -0.121 0.000 1.077 288 E HN 1.018 nan 8.360 nan 0.000 0.407 289 G N 2.825 111.815 108.800 0.316 0.000 2.387 289 G HA2 -0.010 3.956 3.960 0.009 0.000 0.294 289 G HA3 -0.010 3.956 3.960 0.009 0.000 0.294 289 G C -0.032 174.990 174.900 0.205 0.000 1.509 289 G CA -0.591 44.697 45.100 0.314 0.000 0.806 289 G HN 0.305 nan 8.290 nan 0.000 0.546 290 E N -0.435 119.859 120.200 0.158 0.000 2.158 290 E HA 0.298 4.653 4.350 0.009 0.000 0.191 290 E C 1.258 177.989 176.600 0.219 0.000 0.982 290 E CA 1.465 57.953 56.400 0.146 0.000 0.823 290 E CB 0.376 30.116 29.700 0.067 0.000 0.766 290 E HN 1.769 nan 8.360 nan 0.000 0.468 291 G N 0.179 109.067 108.800 0.147 0.000 2.462 291 G HA2 0.157 4.123 3.960 0.009 0.000 0.424 291 G HA3 0.157 4.123 3.960 0.009 0.000 0.424 291 G C -1.548 173.304 174.900 -0.078 0.000 1.573 291 G CA -0.811 44.346 45.100 0.096 0.000 0.913 291 G HN 0.173 nan 8.290 nan 0.000 0.672 292 H N -0.442 118.451 119.070 -0.294 0.000 3.042 292 H HA 0.713 5.274 4.556 0.009 0.000 0.346 292 H C -1.563 173.600 175.328 -0.276 0.000 1.294 292 H CA -0.486 55.375 56.048 -0.312 0.000 1.141 292 H CB 1.908 31.479 29.762 -0.318 0.000 1.872 292 H HN 0.804 nan 8.280 nan 0.000 0.541 293 F N 3.268 123.004 119.950 -0.357 0.000 2.520 293 F HA 0.659 5.192 4.527 0.009 0.000 0.322 293 F C -1.888 173.792 175.800 -0.199 0.000 1.103 293 F CA -0.626 57.209 58.000 -0.275 0.000 0.926 293 F CB 0.889 39.746 39.000 -0.238 0.000 1.154 293 F HN 0.323 nan 8.300 nan 0.000 0.453 294 L N 5.736 126.384 121.223 -0.958 0.000 2.385 294 L HA 0.878 5.223 4.340 0.009 0.000 0.273 294 L C -0.923 175.445 176.870 -0.836 0.000 0.990 294 L CA -1.078 53.354 54.840 -0.681 0.000 0.821 294 L CB 1.883 43.699 42.059 -0.406 0.000 1.279 294 L HN 0.789 nan 8.230 nan 0.000 0.412 295 A N 3.127 125.663 122.820 -0.474 0.000 2.398 295 A HA 0.777 5.102 4.320 0.009 0.000 0.301 295 A C -1.049 176.336 177.584 -0.331 0.000 1.041 295 A CA -0.609 51.180 52.037 -0.413 0.000 0.711 295 A CB 1.791 20.644 19.000 -0.245 0.000 1.240 295 A HN 0.782 nan 8.150 nan 0.000 0.420 296 R N 2.244 122.500 120.500 -0.406 0.000 2.494 296 R HA 0.737 5.083 4.340 0.009 0.000 0.305 296 R C -1.829 174.278 176.300 -0.321 0.000 0.959 296 R CA -0.368 55.603 56.100 -0.216 0.000 0.864 296 R CB 0.833 31.080 30.300 -0.088 0.000 1.159 296 R HN 0.567 nan 8.270 nan 0.000 0.446 297 F N 1.977 121.999 119.950 0.120 0.000 2.538 297 F HA 0.544 5.077 4.527 0.009 0.000 0.325 297 F C 0.113 176.043 175.800 0.218 0.000 1.066 297 F CA -1.097 57.035 58.000 0.221 0.000 0.946 297 F CB 1.761 40.991 39.000 0.383 0.000 1.199 297 F HN 0.355 nan 8.300 nan 0.000 0.473 298 R N 2.057 122.781 120.500 0.373 0.000 2.534 298 R HA 0.399 4.744 4.340 0.009 0.000 0.301 298 R C -1.323 174.981 176.300 0.007 0.000 0.961 298 R CA -0.775 55.431 56.100 0.176 0.000 0.871 298 R CB 1.489 31.846 30.300 0.096 0.000 1.170 298 R HN 0.673 nan 8.270 nan 0.000 0.446 299 K N 2.680 122.942 120.400 -0.230 0.000 2.183 299 K HA 0.181 4.507 4.320 0.009 0.000 0.274 299 K C -1.034 175.363 176.600 -0.338 0.000 1.009 299 K CA -0.450 55.455 56.287 -0.638 0.000 0.888 299 K CB 1.057 33.022 32.500 -0.891 0.000 1.078 299 K HN 0.760 nan 8.250 nan 0.000 0.459 300 E N 3.508 123.529 120.200 -0.298 0.000 2.183 300 E HA 0.479 4.835 4.350 0.009 0.000 0.271 300 E C -0.376 176.110 176.600 -0.189 0.000 0.919 300 E CA -0.418 55.871 56.400 -0.183 0.000 0.781 300 E CB 1.192 30.826 29.700 -0.110 0.000 1.140 300 E HN 0.880 nan 8.360 nan 0.000 0.402 301 G N 1.989 110.689 108.800 -0.166 0.000 2.710 301 G HA2 0.291 4.256 3.960 0.009 0.000 0.668 301 G HA3 0.291 4.256 3.960 0.009 0.000 0.668 301 G C 0.357 175.144 174.900 -0.189 0.000 1.320 301 G CA -0.493 44.519 45.100 -0.148 0.000 0.860 301 G HN 1.573 nan 8.290 nan 0.000 0.538 302 G N -1.522 107.188 108.800 -0.150 0.000 2.698 302 G HA2 0.520 4.485 3.960 0.009 0.000 0.225 302 G HA3 0.520 4.485 3.960 0.009 0.000 0.225 302 G C 0.181 174.964 174.900 -0.194 0.000 1.345 302 G CA 0.988 45.993 45.100 -0.158 0.000 0.871 302 G HN 2.952 nan 8.290 nan 0.000 0.540 303 A N -1.461 121.242 122.820 -0.196 0.000 2.539 303 A HA 0.726 5.052 4.320 0.009 0.000 0.296 303 A C -0.757 176.709 177.584 -0.197 0.000 1.073 303 A CA -0.246 51.682 52.037 -0.182 0.000 0.700 303 A CB 0.891 19.867 19.000 -0.039 0.000 1.296 303 A HN 1.426 nan 8.150 nan 0.000 0.405 304 W N 2.094 123.385 121.300 -0.014 0.000 2.264 304 W HA 0.365 5.030 4.660 0.009 0.000 0.331 304 W C 1.181 177.720 176.519 0.033 0.000 1.364 304 W CA 0.793 58.126 57.345 -0.020 0.000 1.253 304 W CB 0.788 30.209 29.460 -0.065 0.000 1.215 304 W HN 0.791 nan 8.180 nan 0.000 0.561 305 S N 1.058 116.956 115.700 0.331 0.000 2.600 305 S HA 0.432 4.908 4.470 0.009 0.000 0.265 305 S C 0.295 175.055 174.600 0.266 0.000 1.325 305 S CA -0.449 57.901 58.200 0.249 0.000 1.002 305 S CB 1.168 64.505 63.200 0.229 0.000 0.921 305 S HN 0.503 nan 8.310 nan 0.000 0.554 306 T N -1.243 113.400 114.554 0.149 0.000 3.514 306 T HA 0.429 4.784 4.350 0.009 0.000 0.259 306 T C -2.411 172.300 174.700 0.019 0.000 1.466 306 T CA -1.203 60.958 62.100 0.101 0.000 1.562 306 T CB -0.287 68.630 68.868 0.082 0.000 0.924 306 T HN 0.606 nan 8.240 nan 0.000 0.678 307 P HA 0.287 nan 4.420 nan 0.000 0.272 307 P C 0.005 177.252 177.300 -0.090 0.000 1.230 307 P CA -0.592 62.450 63.100 -0.097 0.000 0.788 307 P CB 0.979 32.554 31.700 -0.209 0.000 0.949 308 R N 0.620 121.094 120.500 -0.043 0.000 2.679 308 R HA 0.221 4.567 4.340 0.009 0.000 0.268 308 R C 0.328 176.592 176.300 -0.061 0.000 1.044 308 R CA -0.274 55.807 56.100 -0.033 0.000 1.105 308 R CB -0.022 30.273 30.300 -0.009 0.000 0.989 308 R HN 0.460 nan 8.270 nan 0.000 0.447 309 L N 1.473 122.669 121.223 -0.045 0.000 2.379 309 L HA 0.208 4.553 4.340 0.009 0.000 0.269 309 L C 0.466 177.322 176.870 -0.023 0.000 1.084 309 L CA -0.736 54.075 54.840 -0.049 0.000 0.802 309 L CB 1.016 43.061 42.059 -0.024 0.000 1.175 309 L HN 0.520 nan 8.230 nan 0.000 0.448 310 E N 2.257 122.444 120.200 -0.021 0.000 2.265 310 E HA 0.094 4.450 4.350 0.009 0.000 0.272 310 E C -0.957 175.647 176.600 0.007 0.000 1.067 310 E CA 0.284 56.683 56.400 -0.001 0.000 0.900 310 E CB 0.390 30.091 29.700 0.002 0.000 1.017 310 E HN 0.296 nan 8.360 nan 0.000 0.431 311 R N 5.527 126.034 120.500 0.011 0.000 2.472 311 R HA 0.317 4.662 4.340 0.009 0.000 0.294 311 R C -2.231 174.081 176.300 0.019 0.000 1.243 311 R CA -1.836 54.273 56.100 0.015 0.000 1.023 311 R CB 1.183 31.491 30.300 0.012 0.000 1.157 311 R HN 0.493 nan 8.270 nan 0.000 0.530 312 P HA 0.050 nan 4.420 nan 0.000 0.269 312 P C -0.326 176.989 177.300 0.024 0.000 1.209 312 P CA 0.039 63.156 63.100 0.028 0.000 0.776 312 P CB 0.755 32.476 31.700 0.035 0.000 0.876 313 S N 2.905 118.619 115.700 0.023 0.000 2.584 313 S HA 0.224 4.700 4.470 0.009 0.000 0.270 313 S C -1.971 172.642 174.600 0.021 0.000 1.346 313 S CA -0.655 57.557 58.200 0.020 0.000 1.018 313 S CB -0.656 62.556 63.200 0.019 0.000 0.899 313 S HN 0.406 nan 8.310 nan 0.000 0.542 314 P HA 0.098 nan 4.420 nan 0.000 0.267 314 P C -0.468 176.844 177.300 0.020 0.000 1.200 314 P CA -0.053 63.060 63.100 0.021 0.000 0.772 314 P CB 0.268 31.980 31.700 0.020 0.000 0.855 315 L N 1.075 122.310 121.223 0.020 0.000 2.467 315 L HA 0.083 4.429 4.340 0.009 0.000 0.270 315 L C 1.234 178.116 176.870 0.020 0.000 1.205 315 L CA -0.221 54.629 54.840 0.017 0.000 0.828 315 L CB 0.024 42.093 42.059 0.017 0.000 1.101 315 L HN 0.519 nan 8.230 nan 0.000 0.479 316 S N 1.192 116.903 115.700 0.018 0.000 2.580 316 S HA 0.015 4.491 4.470 0.009 0.000 0.266 316 S C 0.788 175.401 174.600 0.023 0.000 1.354 316 S CA -0.631 57.580 58.200 0.019 0.000 1.008 316 S CB 1.015 64.225 63.200 0.017 0.000 0.898 316 S HN 0.598 nan 8.310 nan 0.000 0.555 317 Q N 0.807 120.620 119.800 0.021 0.000 2.135 317 Q HA -0.185 4.161 4.340 0.009 0.000 0.204 317 Q C 2.102 178.118 176.000 0.028 0.000 0.981 317 Q CA 1.924 57.741 55.803 0.023 0.000 0.856 317 Q CB -0.482 28.267 28.738 0.019 0.000 0.902 317 Q HN 0.981 nan 8.270 nan 0.000 0.425 318 E N 0.268 120.484 120.200 0.026 0.000 2.031 318 E HA -0.169 4.186 4.350 0.009 0.000 0.193 318 E C 1.889 178.516 176.600 0.044 0.000 0.994 318 E CA 1.085 57.503 56.400 0.031 0.000 0.800 318 E CB 0.023 29.738 29.700 0.025 0.000 0.752 318 E HN 0.269 nan 8.360 nan 0.000 0.447 319 A N 1.168 124.011 122.820 0.039 0.000 1.902 319 A HA -0.162 4.164 4.320 0.009 0.000 0.217 319 A C 2.159 179.784 177.584 0.067 0.000 1.181 319 A CA 1.282 53.347 52.037 0.047 0.000 0.623 319 A CB -0.712 18.299 19.000 0.017 0.000 0.818 319 A HN 0.377 nan 8.150 nan 0.000 0.443 320 L N 0.829 122.087 121.223 0.059 0.000 1.989 320 L HA -0.223 4.122 4.340 0.009 0.000 0.211 320 L C 2.704 179.618 176.870 0.072 0.000 1.071 320 L CA 2.742 57.629 54.840 0.078 0.000 0.749 320 L CB -0.633 41.458 42.059 0.053 0.000 0.890 320 L HN 0.611 nan 8.230 nan 0.000 0.431 321 R N -0.519 120.011 120.500 0.051 0.000 2.092 321 R HA -0.034 4.312 4.340 0.009 0.000 0.231 321 R C 2.079 178.408 176.300 0.049 0.000 1.119 321 R CA 1.360 57.482 56.100 0.038 0.000 0.970 321 R CB -1.043 29.275 30.300 0.031 0.000 0.864 321 R HN 0.318 nan 8.270 nan 0.000 0.440 322 A N 0.943 123.810 122.820 0.078 0.000 1.877 322 A HA -0.134 4.192 4.320 0.009 0.000 0.216 322 A C 2.035 179.682 177.584 0.105 0.000 1.186 322 A CA 1.220 53.328 52.037 0.118 0.000 0.620 322 A CB -0.735 18.361 19.000 0.160 0.000 0.822 322 A HN 0.468 nan 8.150 nan 0.000 0.443 323 F N 0.634 120.479 119.950 -0.175 0.000 2.113 323 F HA -0.059 4.473 4.527 0.010 0.000 0.297 323 F C 2.391 178.080 175.800 -0.185 0.000 1.103 323 F CA 1.502 59.240 58.000 -0.435 0.000 1.248 323 F CB -0.358 38.361 39.000 -0.469 0.000 0.999 323 F HN 0.101 nan 8.300 nan 0.000 0.475 324 R N -0.150 120.251 120.500 -0.165 0.000 2.096 324 R HA -0.113 4.232 4.340 0.009 0.000 0.235 324 R C 2.527 178.727 176.300 -0.167 0.000 1.127 324 R CA 1.097 57.068 56.100 -0.214 0.000 0.968 324 R CB -1.224 29.024 30.300 -0.087 0.000 0.861 324 R HN 0.472 nan 8.270 nan 0.000 0.440 325 G N 0.851 109.608 108.800 -0.071 0.000 2.440 325 G HA2 -0.315 3.651 3.960 0.009 0.000 0.218 325 G HA3 -0.315 3.651 3.960 0.009 0.000 0.218 325 G C 1.222 176.106 174.900 -0.026 0.000 1.154 325 G CA 0.587 45.671 45.100 -0.026 0.000 0.767 325 G HN 0.324 nan 8.290 nan 0.000 0.552 326 F N 1.281 121.140 119.950 -0.151 0.000 2.113 326 F HA 0.070 4.602 4.527 0.010 0.000 0.297 326 F C 2.410 178.096 175.800 -0.190 0.000 1.103 326 F CA 1.105 59.033 58.000 -0.121 0.000 1.248 326 F CB -0.268 38.703 39.000 -0.047 0.000 0.999 326 F HN 0.047 nan 8.300 nan 0.000 0.475 327 L N 0.250 121.168 121.223 -0.508 0.000 2.083 327 L HA -0.216 4.130 4.340 0.009 0.000 0.209 327 L C 2.567 179.197 176.870 -0.400 0.000 1.083 327 L CA 1.960 56.464 54.840 -0.559 0.000 0.752 327 L CB -0.908 40.852 42.059 -0.499 0.000 0.899 327 L HN 0.297 nan 8.230 nan 0.000 0.433 328 E N 0.349 120.379 120.200 -0.284 0.000 2.077 328 E HA -0.279 4.076 4.350 0.009 0.000 0.193 328 E C 2.131 178.619 176.600 -0.187 0.000 0.989 328 E CA 1.291 57.577 56.400 -0.190 0.000 0.800 328 E CB 0.044 29.668 29.700 -0.127 0.000 0.746 328 E HN 0.430 nan 8.360 nan 0.000 0.452 329 E N -0.356 119.720 120.200 -0.206 0.000 2.150 329 E HA -0.141 4.215 4.350 0.009 0.000 0.193 329 E C 1.643 178.115 176.600 -0.214 0.000 0.985 329 E CA 0.894 57.197 56.400 -0.162 0.000 0.814 329 E CB -0.012 29.628 29.700 -0.100 0.000 0.752 329 E HN 0.303 nan 8.360 nan 0.000 0.466 330 A N 0.166 122.751 122.820 -0.391 0.000 2.178 330 A HA 0.234 4.560 4.320 0.009 0.000 0.211 330 A C 1.505 178.932 177.584 -0.262 0.000 1.157 330 A CA 0.873 52.685 52.037 -0.375 0.000 0.780 330 A CB -0.188 18.399 19.000 -0.688 0.000 0.828 330 A HN 0.378 nan 8.150 nan 0.000 0.476 331 G N -1.117 107.541 108.800 -0.237 0.000 2.298 331 G HA2 -0.121 3.844 3.960 0.009 0.000 0.287 331 G HA3 -0.121 3.844 3.960 0.009 0.000 0.287 331 G C -0.396 174.410 174.900 -0.157 0.000 1.075 331 G CA 0.419 45.420 45.100 -0.164 0.000 0.960 331 G HN 0.571 nan 8.290 nan 0.000 0.502 332 L N 0.302 121.410 121.223 -0.192 0.000 2.346 332 L HA 0.832 5.178 4.340 0.009 0.000 0.276 332 L C 0.264 177.075 176.870 -0.099 0.000 1.006 332 L CA -0.435 54.328 54.840 -0.128 0.000 0.817 332 L CB 2.371 44.356 42.059 -0.123 0.000 1.272 332 L HN 0.116 nan 8.230 nan 0.000 0.421 333 T N 5.179 119.713 114.554 -0.034 0.000 2.815 333 T HA 0.601 4.957 4.350 0.009 0.000 0.289 333 T C -0.463 174.259 174.700 0.037 0.000 1.000 333 T CA -0.341 61.749 62.100 -0.015 0.000 0.958 333 T CB 0.618 69.480 68.868 -0.010 0.000 0.944 333 T HN 0.297 nan 8.240 nan 0.000 0.442 334 L N 3.365 124.622 121.223 0.056 0.000 2.325 334 L HA 0.544 4.890 4.340 0.009 0.000 0.278 334 L C 0.034 176.963 176.870 0.098 0.000 1.023 334 L CA -0.953 53.955 54.840 0.114 0.000 0.811 334 L CB 1.534 43.713 42.059 0.199 0.000 1.249 334 L HN 0.621 nan 8.230 nan 0.000 0.431 335 E N 1.583 121.838 120.200 0.092 0.000 3.351 335 E HA 0.541 4.897 4.350 0.009 0.000 0.220 335 E C 0.024 176.665 176.600 0.069 0.000 1.150 335 E CA -0.322 56.119 56.400 0.069 0.000 1.359 335 E CB 1.194 30.927 29.700 0.055 0.000 1.365 335 E HN 0.705 nan 8.360 nan 0.000 0.434 336 G N 0.458 109.307 108.800 0.081 0.000 2.488 336 G HA2 0.477 4.443 3.960 0.009 0.000 0.301 336 G HA3 0.477 4.443 3.960 0.009 0.000 0.301 336 G C -2.892 172.053 174.900 0.074 0.000 1.339 336 G CA -1.190 43.953 45.100 0.072 0.000 0.803 336 G HN 0.024 nan 8.290 nan 0.000 0.482 337 P HA 0.463 nan 4.420 nan 0.000 0.271 337 P C -0.616 176.719 177.300 0.059 0.000 1.216 337 P CA -0.339 62.794 63.100 0.055 0.000 0.771 337 P CB 1.476 33.203 31.700 0.046 0.000 0.864 338 V N 4.506 124.444 119.914 0.040 0.000 2.384 338 V HA 0.245 4.371 4.120 0.009 0.000 0.287 338 V C -0.029 176.079 176.094 0.022 0.000 1.020 338 V CA -0.722 61.581 62.300 0.005 0.000 0.850 338 V CB 1.370 33.134 31.823 -0.099 0.000 0.987 338 V HN 0.399 nan 8.190 nan 0.000 0.436 339 L N 4.598 125.868 121.223 0.078 0.000 2.276 339 L HA 0.615 4.961 4.340 0.009 0.000 0.286 339 L C -0.326 176.628 176.870 0.140 0.000 1.061 339 L CA 0.295 55.200 54.840 0.109 0.000 0.807 339 L CB 1.297 43.437 42.059 0.136 0.000 1.177 339 L HN 0.672 nan 8.230 nan 0.000 0.429 340 D N 5.207 125.662 120.400 0.090 0.000 2.392 340 D HA 0.311 4.957 4.640 0.009 0.000 0.228 340 D C -0.791 175.578 176.300 0.114 0.000 1.074 340 D CA -0.254 53.797 54.000 0.086 0.000 0.838 340 D CB 0.709 41.524 40.800 0.025 0.000 1.067 340 D HN 0.515 nan 8.370 nan 0.000 0.511 341 R N 3.130 123.740 120.500 0.183 0.000 2.310 341 R HA 0.537 4.883 4.340 0.009 0.000 0.316 341 R C 0.130 176.517 176.300 0.146 0.000 1.004 341 R CA -0.664 55.529 56.100 0.155 0.000 0.900 341 R CB 1.413 31.820 30.300 0.178 0.000 1.152 341 R HN 0.534 nan 8.270 nan 0.000 0.513 342 A N 2.125 124.994 122.820 0.083 0.000 2.745 342 A HA -0.230 4.096 4.320 0.009 0.000 0.296 342 A C 1.236 178.821 177.584 0.002 0.000 1.500 342 A CA 1.228 53.300 52.037 0.057 0.000 0.766 342 A CB -1.888 17.159 19.000 0.078 0.000 1.030 342 A HN 1.242 nan 8.150 nan 0.000 0.489 343 G N -2.306 106.476 108.800 -0.030 0.000 2.234 343 G HA2 -0.245 3.720 3.960 0.009 0.000 0.235 343 G HA3 -0.245 3.720 3.960 0.009 0.000 0.235 343 G C -0.004 174.766 174.900 -0.216 0.000 0.997 343 G CA 0.476 45.495 45.100 -0.135 0.000 0.623 343 G HN 1.496 nan 8.290 nan 0.000 0.514 344 H N 0.670 119.722 119.070 -0.031 0.000 2.668 344 H HA 0.510 5.072 4.556 0.010 0.000 0.303 344 H C 0.449 175.735 175.328 -0.070 0.000 1.074 344 H CA 0.037 56.065 56.048 -0.034 0.000 1.406 344 H CB 0.892 30.593 29.762 -0.102 0.000 1.442 344 H HN 0.202 nan 8.280 nan 0.000 0.482 345 L N 4.585 125.761 121.223 -0.078 0.000 2.309 345 L HA 0.351 4.697 4.340 0.009 0.000 0.282 345 L C -0.741 175.946 176.870 -0.305 0.000 1.036 345 L CA -0.716 54.033 54.840 -0.151 0.000 0.806 345 L CB 0.755 42.655 42.059 -0.265 0.000 1.220 345 L HN 0.496 nan 8.230 nan 0.000 0.429 346 Y N 2.389 122.739 120.300 0.083 0.000 2.425 346 Y HA 0.408 4.963 4.550 0.009 0.000 0.344 346 Y C -0.347 175.581 175.900 0.048 0.000 0.969 346 Y CA -0.819 57.350 58.100 0.115 0.000 1.052 346 Y CB 2.209 40.743 38.460 0.123 0.000 1.215 346 Y HN 0.336 nan 8.280 nan 0.000 0.451 347 L N 4.745 126.090 121.223 0.204 0.000 2.261 347 L HA 0.420 4.766 4.340 0.009 0.000 0.289 347 L C -0.977 175.983 176.870 0.148 0.000 1.059 347 L CA -0.082 54.845 54.840 0.145 0.000 0.816 347 L CB -0.062 42.080 42.059 0.137 0.000 1.191 347 L HN 0.531 nan 8.230 nan 0.000 0.431 348 L N 7.195 128.488 121.223 0.117 0.000 2.349 348 L HA 0.392 4.738 4.340 0.009 0.000 0.275 348 L C -1.843 175.073 176.870 0.076 0.000 1.115 348 L CA -1.905 52.991 54.840 0.092 0.000 0.820 348 L CB 0.416 42.516 42.059 0.068 0.000 1.135 348 L HN 0.485 nan 8.230 nan 0.000 0.445 349 P HA 0.025 nan 4.420 nan 0.000 0.271 349 P C -0.433 176.893 177.300 0.044 0.000 1.216 349 P CA -0.369 62.767 63.100 0.060 0.000 0.776 349 P CB 0.491 32.230 31.700 0.065 0.000 0.881 350 E N 1.616 121.836 120.200 0.034 0.000 2.465 350 E HA 0.169 4.524 4.350 0.009 0.000 0.260 350 E C 0.984 177.592 176.600 0.013 0.000 0.980 350 E CA 0.834 57.245 56.400 0.019 0.000 0.927 350 E CB -0.468 29.237 29.700 0.008 0.000 0.934 350 E HN 0.777 nan 8.360 nan 0.000 0.459 351 G N 3.570 112.379 108.800 0.015 0.000 2.176 351 G HA2 -0.294 3.671 3.960 0.009 0.000 0.253 351 G HA3 -0.294 3.671 3.960 0.009 0.000 0.253 351 G C 0.075 175.007 174.900 0.053 0.000 0.979 351 G CA 0.139 45.260 45.100 0.034 0.000 0.641 351 G HN 0.570 nan 8.290 nan 0.000 0.530 352 L N 3.228 124.458 121.223 0.013 0.000 2.584 352 L HA 0.425 4.770 4.340 0.009 0.000 0.272 352 L C -1.086 175.718 176.870 -0.110 0.000 1.195 352 L CA -1.088 53.734 54.840 -0.031 0.000 0.920 352 L CB 0.157 42.213 42.059 -0.005 0.000 1.173 352 L HN 0.090 nan 8.230 nan 0.000 0.489 353 P HA 0.064 nan 4.420 nan 0.000 0.276 353 P C -0.636 176.599 177.300 -0.110 0.000 1.261 353 P CA -0.569 62.314 63.100 -0.362 0.000 0.800 353 P CB 0.397 31.574 31.700 -0.872 0.000 1.066 354 T N 0.720 115.268 114.554 -0.010 0.000 2.908 354 T HA 0.046 4.402 4.350 0.009 0.000 0.301 354 T C 1.133 175.927 174.700 0.158 0.000 1.019 354 T CA 0.111 62.248 62.100 0.062 0.000 1.152 354 T CB -0.707 68.190 68.868 0.049 0.000 0.966 354 T HN 0.199 nan 8.240 nan 0.000 0.540 355 L N 4.733 126.016 121.223 0.099 0.000 2.628 355 L HA 0.297 4.642 4.340 0.009 0.000 0.229 355 L C 0.852 177.755 176.870 0.055 0.000 1.137 355 L CA -0.477 54.425 54.840 0.104 0.000 0.909 355 L CB -0.186 41.907 42.059 0.055 0.000 1.137 355 L HN 0.529 nan 8.230 nan 0.000 0.470 356 L N 1.597 122.846 121.223 0.044 0.000 2.601 356 L HA 0.150 4.495 4.340 0.009 0.000 0.277 356 L C 1.276 178.147 176.870 0.002 0.000 1.219 356 L CA 1.330 56.181 54.840 0.018 0.000 0.915 356 L CB 0.137 42.205 42.059 0.015 0.000 1.160 356 L HN 0.363 nan 8.230 nan 0.000 0.494 357 G N 3.733 112.529 108.800 -0.007 0.000 2.184 357 G HA2 -0.248 3.718 3.960 0.009 0.000 0.264 357 G HA3 -0.248 3.718 3.960 0.009 0.000 0.264 357 G C 0.049 174.932 174.900 -0.028 0.000 0.975 357 G CA 0.413 45.502 45.100 -0.020 0.000 0.642 357 G HN 0.625 nan 8.290 nan 0.000 0.536 358 L N -0.063 121.148 121.223 -0.019 0.000 2.334 358 L HA 0.531 4.877 4.340 0.009 0.000 0.276 358 L C 0.575 177.436 176.870 -0.014 0.000 1.014 358 L CA -1.053 53.774 54.840 -0.022 0.000 0.815 358 L CB 1.902 43.957 42.059 -0.007 0.000 1.268 358 L HN 0.102 nan 8.230 nan 0.000 0.428 359 K N 2.367 122.754 120.400 -0.021 0.000 2.339 359 K HA 0.526 4.852 4.320 0.009 0.000 0.286 359 K C -0.552 176.033 176.600 -0.025 0.000 1.050 359 K CA -0.184 56.088 56.287 -0.024 0.000 0.956 359 K CB 0.876 33.360 32.500 -0.027 0.000 0.990 359 K HN 0.731 nan 8.250 nan 0.000 0.475 360 A N 6.579 129.375 122.820 -0.041 0.000 2.646 360 A HA 0.343 4.668 4.320 0.009 0.000 0.312 360 A C -2.167 175.355 177.584 -0.102 0.000 1.245 360 A CA -1.422 50.580 52.037 -0.059 0.000 0.755 360 A CB 0.990 19.953 19.000 -0.062 0.000 1.132 360 A HN 0.654 nan 8.150 nan 0.000 0.458 361 P HA -0.097 nan 4.420 nan 0.000 0.217 361 P C 0.495 177.712 177.300 -0.139 0.000 1.148 361 P CA 2.167 65.209 63.100 -0.096 0.000 0.828 361 P CB 0.355 32.010 31.700 -0.075 0.000 0.783 362 A N -1.977 120.747 122.820 -0.161 0.000 2.679 362 A HA 0.461 4.787 4.320 0.009 0.000 0.288 362 A C -2.310 175.121 177.584 -0.253 0.000 1.160 362 A CA -0.975 50.925 52.037 -0.228 0.000 0.763 362 A CB 0.827 19.825 19.000 -0.004 0.000 1.270 362 A HN -0.129 nan 8.150 nan 0.000 0.417 363 P HA 0.067 nan 4.420 nan 0.000 0.222 363 P C 0.984 178.241 177.300 -0.072 0.000 1.147 363 P CA 1.942 64.884 63.100 -0.264 0.000 0.790 363 P CB 0.450 31.939 31.700 -0.352 0.000 0.780 364 G N -2.022 106.795 108.800 0.029 0.000 2.494 364 G HA2 0.341 4.307 3.960 0.009 0.000 0.308 364 G HA3 0.341 4.307 3.960 0.009 0.000 0.308 364 G C -1.870 173.206 174.900 0.294 0.000 1.263 364 G CA -0.678 44.522 45.100 0.166 0.000 0.840 364 G HN 0.079 nan 8.290 nan 0.000 0.479 365 L N 1.134 122.505 121.223 0.247 0.000 2.534 365 L HA 0.424 4.770 4.340 0.009 0.000 0.271 365 L C -0.281 176.781 176.870 0.321 0.000 1.178 365 L CA -0.666 54.318 54.840 0.240 0.000 0.907 365 L CB -0.066 42.084 42.059 0.151 0.000 1.164 365 L HN 0.511 nan 8.230 nan 0.000 0.482 366 Y N 5.767 126.162 120.300 0.159 0.000 2.480 366 Y HA 0.187 4.743 4.550 0.010 0.000 0.341 366 Y C 0.541 176.418 175.900 -0.039 0.000 1.031 366 Y CA -0.337 57.753 58.100 -0.017 0.000 1.295 366 Y CB 0.584 39.062 38.460 0.030 0.000 1.162 366 Y HN 0.747 nan 8.280 nan 0.000 0.523 367 L N 4.949 125.991 121.223 -0.301 0.000 2.202 367 L HA 0.335 4.680 4.340 0.009 0.000 0.205 367 L C 1.305 177.951 176.870 -0.374 0.000 1.083 367 L CA 0.778 55.516 54.840 -0.169 0.000 0.790 367 L CB -0.386 41.679 42.059 0.011 0.000 0.942 367 L HN 0.884 nan 8.230 nan 0.000 0.452 368 G N -0.290 107.987 108.800 -0.872 0.000 2.350 368 G HA2 0.037 4.003 3.960 0.009 0.000 0.282 368 G HA3 0.037 4.003 3.960 0.009 0.000 0.282 368 G C -1.806 172.678 174.900 -0.694 0.000 1.314 368 G CA -0.752 43.703 45.100 -1.076 0.000 0.915 368 G HN -0.107 nan 8.290 nan 0.000 0.499 369 K N -0.158 119.764 120.400 -0.797 0.000 2.345 369 K HA 0.662 4.988 4.320 0.009 0.000 0.255 369 K C -0.718 175.644 176.600 -0.397 0.000 0.934 369 K CA -0.689 55.308 56.287 -0.484 0.000 0.801 369 K CB 2.196 34.437 32.500 -0.432 0.000 1.137 369 K HN 0.420 nan 8.250 nan 0.000 0.424 370 V N 4.361 124.190 119.914 -0.141 0.000 2.461 370 V HA 0.194 4.319 4.120 0.009 0.000 0.275 370 V C -0.298 175.744 176.094 -0.088 0.000 1.047 370 V CA -0.163 62.138 62.300 0.002 0.000 0.955 370 V CB 1.071 32.934 31.823 0.067 0.000 0.988 370 V HN 0.783 nan 8.190 nan 0.000 0.471 371 Q N 4.446 124.208 119.800 -0.063 0.000 2.350 371 Q HA 0.348 4.694 4.340 0.009 0.000 0.255 371 Q C -0.583 175.400 176.000 -0.027 0.000 0.951 371 Q CA -0.722 55.042 55.803 -0.066 0.000 0.751 371 Q CB 0.777 29.459 28.738 -0.094 0.000 1.296 371 Q HN 0.730 nan 8.270 nan 0.000 0.453 372 K N 2.606 122.997 120.400 -0.015 0.000 3.419 372 K HA -0.276 4.050 4.320 0.009 0.000 0.272 372 K C 0.541 177.147 176.600 0.011 0.000 0.973 372 K CA 0.671 56.957 56.287 -0.002 0.000 0.749 372 K CB -1.789 30.708 32.500 -0.005 0.000 1.403 372 K HN 1.153 nan 8.250 nan 0.000 0.456 373 G N -0.464 108.350 108.800 0.022 0.000 2.184 373 G HA2 -0.336 3.630 3.960 0.009 0.000 0.264 373 G HA3 -0.336 3.630 3.960 0.009 0.000 0.264 373 G C -0.051 174.882 174.900 0.055 0.000 0.975 373 G CA 0.561 45.683 45.100 0.037 0.000 0.642 373 G HN 0.294 nan 8.290 nan 0.000 0.536 374 R N -0.771 119.760 120.500 0.050 0.000 2.711 374 R HA 0.677 5.022 4.340 0.009 0.000 0.284 374 R C -1.142 175.220 176.300 0.102 0.000 0.968 374 R CA -1.090 55.051 56.100 0.067 0.000 0.924 374 R CB 1.276 31.589 30.300 0.022 0.000 1.162 374 R HN 0.169 nan 8.270 nan 0.000 0.465 375 F N 2.741 122.666 119.950 -0.042 0.000 2.411 375 F HA 0.404 4.936 4.527 0.010 0.000 0.352 375 F C -0.548 175.130 175.800 -0.204 0.000 1.123 375 F CA -0.884 57.053 58.000 -0.105 0.000 1.044 375 F CB 0.806 39.779 39.000 -0.046 0.000 1.135 375 F HN 0.263 nan 8.300 nan 0.000 0.461 376 L N 9.023 129.726 121.223 -0.867 0.000 2.272 376 L HA 0.402 4.747 4.340 0.009 0.000 0.284 376 L C -2.227 173.938 176.870 -1.174 0.000 1.045 376 L CA -2.031 52.355 54.840 -0.756 0.000 0.842 376 L CB 0.726 42.510 42.059 -0.459 0.000 1.224 376 L HN 0.427 nan 8.230 nan 0.000 0.430 377 P HA 0.136 nan 4.420 nan 0.000 0.272 377 P C -0.553 176.381 177.300 -0.609 0.000 1.223 377 P CA -0.307 62.142 63.100 -1.085 0.000 0.784 377 P CB 1.314 32.152 31.700 -1.438 0.000 0.923 378 A N 2.588 125.147 122.820 -0.436 0.000 2.316 378 A HA 0.256 4.581 4.320 0.009 0.000 0.284 378 A C 1.684 179.320 177.584 0.087 0.000 1.115 378 A CA -0.622 51.251 52.037 -0.272 0.000 0.812 378 A CB 0.144 18.745 19.000 -0.664 0.000 1.064 378 A HN 0.618 nan 8.150 nan 0.000 0.489 379 R N 1.366 121.930 120.500 0.106 0.000 2.105 379 R HA -0.181 4.165 4.340 0.009 0.000 0.239 379 R C 1.988 178.306 176.300 0.030 0.000 1.135 379 R CA 1.852 58.013 56.100 0.101 0.000 0.967 379 R CB -0.350 29.998 30.300 0.080 0.000 0.861 379 R HN 0.841 nan 8.270 nan 0.000 0.442 380 A N 0.988 123.841 122.820 0.056 0.000 1.940 380 A HA -0.181 4.145 4.320 0.009 0.000 0.219 380 A C 2.004 179.543 177.584 -0.075 0.000 1.176 380 A CA 1.316 53.374 52.037 0.036 0.000 0.631 380 A CB -0.527 18.559 19.000 0.143 0.000 0.814 380 A HN 0.404 nan 8.150 nan 0.000 0.446 381 L N -0.372 120.799 121.223 -0.087 0.000 2.056 381 L HA 0.011 4.357 4.340 0.009 0.000 0.207 381 L C 2.638 179.090 176.870 -0.696 0.000 1.078 381 L CA 2.121 56.828 54.840 -0.220 0.000 0.749 381 L CB -0.855 41.223 42.059 0.032 0.000 0.901 381 L HN 0.321 nan 8.230 nan 0.000 0.433 382 A N -0.426 122.092 122.820 -0.503 0.000 1.883 382 A HA -0.170 4.156 4.320 0.009 0.000 0.217 382 A C 2.135 179.384 177.584 -0.559 0.000 1.186 382 A CA 1.862 53.438 52.037 -0.767 0.000 0.624 382 A CB -0.905 17.680 19.000 -0.690 0.000 0.822 382 A HN 0.431 nan 8.150 nan 0.000 0.444 383 L N -0.868 120.157 121.223 -0.330 0.000 2.362 383 L HA -0.098 4.248 4.340 0.009 0.000 0.219 383 L C 2.760 179.476 176.870 -0.258 0.000 1.134 383 L CA 1.564 56.277 54.840 -0.211 0.000 0.807 383 L CB -1.401 40.599 42.059 -0.099 0.000 0.927 383 L HN 0.494 nan 8.230 nan 0.000 0.447 384 A N -0.933 121.667 122.820 -0.367 0.000 2.067 384 A HA -0.066 4.260 4.320 0.009 0.000 0.217 384 A C 0.702 178.105 177.584 -0.301 0.000 1.156 384 A CA -0.037 51.823 52.037 -0.294 0.000 0.683 384 A CB -0.367 18.485 19.000 -0.246 0.000 0.808 384 A HN 0.176 nan 8.150 nan 0.000 0.455 385 F N 0.264 120.004 119.950 -0.350 0.000 2.578 385 F HA 0.418 4.951 4.527 0.010 0.000 0.381 385 F C 1.692 176.910 175.800 -0.971 0.000 1.069 385 F CA 0.645 58.240 58.000 -0.674 0.000 1.231 385 F CB -0.246 38.255 39.000 -0.832 0.000 1.086 385 F HN 0.294 nan 8.300 nan 0.000 0.564 386 G N 1.380 109.761 108.800 -0.699 0.000 2.205 386 G HA2 -0.246 3.720 3.960 0.009 0.000 0.261 386 G HA3 -0.246 3.720 3.960 0.009 0.000 0.261 386 G C 0.847 175.697 174.900 -0.082 0.000 0.980 386 G CA 0.534 45.408 45.100 -0.377 0.000 0.632 386 G HN 1.054 nan 8.290 nan 0.000 0.533 387 A N -0.830 121.913 122.820 -0.128 0.000 2.010 387 A HA 0.593 4.918 4.320 0.009 0.000 0.210 387 A C 2.157 179.710 177.584 -0.052 0.000 1.479 387 A CA 2.194 54.178 52.037 -0.089 0.000 0.748 387 A CB -0.168 18.742 19.000 -0.150 0.000 1.125 387 A HN 1.384 nan 8.150 nan 0.000 0.522 388 T N -3.298 111.227 114.554 -0.049 0.000 3.016 388 T HA 0.567 4.922 4.350 0.009 0.000 0.271 388 T C 0.140 174.851 174.700 0.018 0.000 0.968 388 T CA -0.187 61.911 62.100 -0.004 0.000 0.891 388 T CB -0.140 68.734 68.868 0.010 0.000 1.149 388 T HN 0.123 nan 8.240 nan 0.000 0.524 389 L N 2.129 123.359 121.223 0.013 0.000 2.341 389 L HA 0.620 4.966 4.340 0.009 0.000 0.267 389 L C -2.499 174.414 176.870 0.072 0.000 1.009 389 L CA -2.905 51.984 54.840 0.082 0.000 0.819 389 L CB 2.416 44.570 42.059 0.159 0.000 1.323 389 L HN -0.102 nan 8.230 nan 0.000 0.425 390 P HA 0.001 nan 4.420 nan 0.000 0.272 390 P C -1.212 176.091 177.300 0.004 0.000 1.230 390 P CA -0.346 62.799 63.100 0.074 0.000 0.788 390 P CB 0.397 32.144 31.700 0.078 0.000 0.949 391 W N 2.096 123.343 121.300 -0.088 0.000 2.190 391 W HA 0.217 4.883 4.660 0.010 0.000 0.330 391 W C -1.431 174.850 176.519 -0.398 0.000 1.299 391 W CA -1.433 55.737 57.345 -0.291 0.000 1.215 391 W CB -0.559 28.788 29.460 -0.188 0.000 1.147 391 W HN 0.284 nan 8.180 nan 0.000 0.563 392 P HA 0.030 nan 4.420 nan 0.000 0.273 392 P C 0.153 177.368 177.300 -0.143 0.000 1.428 392 P CA 0.149 63.054 63.100 -0.325 0.000 0.995 392 P CB 0.960 32.380 31.700 -0.465 0.000 1.286 393 E N 2.298 122.440 120.200 -0.096 0.000 2.418 393 E HA -0.035 4.320 4.350 0.009 0.000 0.197 393 E C 1.914 178.468 176.600 -0.077 0.000 1.026 393 E CA 0.696 57.052 56.400 -0.074 0.000 0.862 393 E CB -0.368 29.295 29.700 -0.062 0.000 0.799 393 E HN 0.571 nan 8.360 nan 0.000 0.518 394 G N 0.256 109.000 108.800 -0.093 0.000 2.777 394 G HA2 0.083 4.048 3.960 0.009 0.000 0.211 394 G HA3 0.083 4.048 3.960 0.009 0.000 0.211 394 G C 0.730 175.596 174.900 -0.057 0.000 1.149 394 G CA -0.190 44.861 45.100 -0.081 0.000 0.785 394 G HN 0.066 nan 8.290 nan 0.000 0.536 395 L N 1.176 122.371 121.223 -0.048 0.000 2.325 395 L HA 0.355 4.701 4.340 0.009 0.000 0.279 395 L C -2.155 174.701 176.870 -0.023 0.000 1.054 395 L CA -2.064 52.775 54.840 -0.002 0.000 0.804 395 L CB 1.641 43.742 42.059 0.069 0.000 1.200 395 L HN -0.130 nan 8.230 nan 0.000 0.436 396 P HA 0.105 nan 4.420 nan 0.000 0.266 396 P C -0.916 176.300 177.300 -0.139 0.000 1.195 396 P CA -0.070 62.946 63.100 -0.140 0.000 0.768 396 P CB 0.457 31.943 31.700 -0.357 0.000 0.838 397 R N 2.921 123.346 120.500 -0.125 0.000 2.360 397 R HA 0.489 4.835 4.340 0.009 0.000 0.318 397 R C -0.942 175.302 176.300 -0.093 0.000 0.950 397 R CA -0.552 55.494 56.100 -0.089 0.000 0.837 397 R CB 0.440 30.690 30.300 -0.082 0.000 1.165 397 R HN 0.461 nan 8.270 nan 0.000 0.458 398 L N 3.592 124.751 121.223 -0.108 0.000 2.313 398 L HA 0.652 4.998 4.340 0.009 0.000 0.283 398 L C -0.169 176.675 176.870 -0.043 0.000 1.013 398 L CA -0.934 53.865 54.840 -0.069 0.000 0.816 398 L CB 1.917 43.805 42.059 -0.284 0.000 1.236 398 L HN 0.640 nan 8.230 nan 0.000 0.419 399 A N 5.040 127.888 122.820 0.047 0.000 2.317 399 A HA 0.885 5.210 4.320 0.009 0.000 0.327 399 A C -0.687 176.932 177.584 0.058 0.000 1.178 399 A CA -0.441 51.614 52.037 0.030 0.000 0.817 399 A CB 0.978 19.989 19.000 0.019 0.000 1.189 399 A HN 0.685 nan 8.150 nan 0.000 0.489 400 L N 1.324 122.566 121.223 0.030 0.000 2.354 400 L HA 0.612 4.957 4.340 0.009 0.000 0.269 400 L C 0.614 177.519 176.870 0.057 0.000 1.005 400 L CA -0.785 54.080 54.840 0.041 0.000 0.819 400 L CB 2.586 44.647 42.059 0.004 0.000 1.311 400 L HN 0.875 nan 8.230 nan 0.000 0.423 401 T N -2.448 112.135 114.554 0.048 0.000 2.918 401 T HA 0.369 4.725 4.350 0.009 0.000 0.283 401 T C -2.124 172.593 174.700 0.029 0.000 1.001 401 T CA -1.888 60.244 62.100 0.053 0.000 1.041 401 T CB 1.706 70.593 68.868 0.032 0.000 1.028 401 T HN 0.289 nan 8.240 nan 0.000 0.511 402 P HA -0.028 nan 4.420 nan 0.000 0.218 402 P C 1.030 178.225 177.300 -0.175 0.000 1.148 402 P CA 0.957 63.987 63.100 -0.117 0.000 0.822 402 P CB 0.072 31.679 31.700 -0.155 0.000 0.784 403 E N -0.896 119.250 120.200 -0.090 0.000 2.285 403 E HA -0.065 4.290 4.350 0.009 0.000 0.194 403 E C 0.675 177.242 176.600 -0.056 0.000 0.997 403 E CA 0.450 56.803 56.400 -0.078 0.000 0.845 403 E CB -0.786 28.888 29.700 -0.043 0.000 0.782 403 E HN 0.225 nan 8.360 nan 0.000 0.491 404 D N 0.761 121.139 120.400 -0.037 0.000 2.371 404 D HA -0.014 4.631 4.640 0.009 0.000 0.256 404 D C -1.557 174.733 176.300 -0.018 0.000 1.193 404 D CA -2.019 51.973 54.000 -0.014 0.000 0.881 404 D CB 1.100 41.905 40.800 0.008 0.000 1.143 404 D HN -0.076 nan 8.370 nan 0.000 0.473 405 P HA -0.097 nan 4.420 nan 0.000 0.225 405 P C 1.097 178.409 177.300 0.020 0.000 1.148 405 P CA 0.571 63.668 63.100 -0.006 0.000 0.779 405 P CB 0.348 32.049 31.700 0.002 0.000 0.780 406 R N 0.056 120.579 120.500 0.039 0.000 2.127 406 R HA -0.068 4.278 4.340 0.009 0.000 0.238 406 R C 2.385 178.742 176.300 0.095 0.000 1.134 406 R CA 1.352 57.497 56.100 0.075 0.000 0.975 406 R CB -0.820 29.532 30.300 0.087 0.000 0.865 406 R HN 0.169 nan 8.270 nan 0.000 0.447 407 A N 1.264 124.119 122.820 0.059 0.000 1.858 407 A HA -0.177 4.149 4.320 0.009 0.000 0.216 407 A C 2.062 179.707 177.584 0.101 0.000 1.190 407 A CA 1.137 53.221 52.037 0.079 0.000 0.617 407 A CB -0.519 18.502 19.000 0.035 0.000 0.827 407 A HN 0.234 nan 8.150 nan 0.000 0.443 408 L N -0.309 120.933 121.223 0.032 0.000 2.046 408 L HA -0.046 4.300 4.340 0.009 0.000 0.208 408 L C 2.685 179.534 176.870 -0.035 0.000 1.077 408 L CA 2.117 56.956 54.840 -0.001 0.000 0.747 408 L CB -0.826 41.225 42.059 -0.014 0.000 0.896 408 L HN 0.367 nan 8.230 nan 0.000 0.432 409 A N -0.894 121.935 122.820 0.015 0.000 1.858 409 A HA -0.278 4.048 4.320 0.009 0.000 0.216 409 A C 2.306 179.904 177.584 0.024 0.000 1.190 409 A CA 1.904 53.947 52.037 0.010 0.000 0.617 409 A CB -1.271 17.757 19.000 0.046 0.000 0.827 409 A HN 0.524 nan 8.150 nan 0.000 0.443 410 F N 1.016 120.943 119.950 -0.038 0.000 2.126 410 F HA -0.107 4.426 4.527 0.010 0.000 0.299 410 F C 2.431 178.201 175.800 -0.050 0.000 1.096 410 F CA 1.475 59.458 58.000 -0.029 0.000 1.255 410 F CB -0.264 38.733 39.000 -0.005 0.000 0.997 410 F HN 0.230 nan 8.300 nan 0.000 0.479 411 A N -0.874 121.992 122.820 0.077 0.000 2.121 411 A HA -0.101 4.224 4.320 0.009 0.000 0.218 411 A C 1.816 179.226 177.584 -0.290 0.000 1.154 411 A CA 1.697 53.712 52.037 -0.037 0.000 0.679 411 A CB -1.303 17.743 19.000 0.076 0.000 0.795 411 A HN 0.490 nan 8.150 nan 0.000 0.458 412 T N -5.406 108.946 114.554 -0.337 0.000 3.176 412 T HA 0.470 4.826 4.350 0.009 0.000 0.263 412 T C 1.084 175.656 174.700 -0.213 0.000 1.021 412 T CA 0.880 62.766 62.100 -0.357 0.000 0.905 412 T CB 0.309 68.937 68.868 -0.399 0.000 1.057 412 T HN 1.514 nan 8.240 nan 0.000 0.558 413 G N 1.140 109.796 108.800 -0.241 0.000 2.179 413 G HA2 -0.177 3.789 3.960 0.009 0.000 0.220 413 G HA3 -0.177 3.789 3.960 0.009 0.000 0.220 413 G C -0.322 174.478 174.900 -0.166 0.000 0.990 413 G CA -0.399 44.576 45.100 -0.209 0.000 0.646 413 G HN 0.621 nan 8.290 nan 0.000 0.517 414 E N 0.460 120.581 120.200 -0.132 0.000 2.266 414 E HA 0.515 4.871 4.350 0.009 0.000 0.277 414 E C 0.852 177.446 176.600 -0.009 0.000 1.018 414 E CA -0.281 56.087 56.400 -0.053 0.000 0.840 414 E CB 1.297 30.987 29.700 -0.017 0.000 1.082 414 E HN 0.338 nan 8.360 nan 0.000 0.395 415 G N 0.907 109.722 108.800 0.025 0.000 2.442 415 G HA2 0.387 4.353 3.960 0.009 0.000 0.249 415 G HA3 0.387 4.353 3.960 0.009 0.000 0.249 415 G C -0.162 174.809 174.900 0.118 0.000 1.263 415 G CA -0.400 44.752 45.100 0.086 0.000 0.846 415 G HN 0.309 nan 8.290 nan 0.000 0.555 416 V N -0.493 119.524 119.914 0.171 0.000 3.001 416 V HA 0.893 5.019 4.120 0.009 0.000 0.314 416 V C 0.444 176.647 176.094 0.180 0.000 1.099 416 V CA -0.983 61.415 62.300 0.163 0.000 0.989 416 V CB 1.283 33.217 31.823 0.185 0.000 1.040 416 V HN 1.326 nan 8.190 nan 0.000 0.434 417 A N 3.430 126.345 122.820 0.158 0.000 2.498 417 A HA 0.471 4.797 4.320 0.009 0.000 0.239 417 A C -0.443 177.306 177.584 0.276 0.000 1.068 417 A CA -0.222 51.918 52.037 0.172 0.000 0.766 417 A CB 0.214 19.276 19.000 0.105 0.000 1.003 417 A HN 1.476 nan 8.150 nan 0.000 0.497 418 W N 2.357 123.675 121.300 0.030 0.000 2.830 418 W HA 0.443 5.108 4.660 0.009 0.000 0.335 418 W C -1.103 175.429 176.519 0.022 0.000 1.043 418 W CA -0.444 56.918 57.345 0.027 0.000 1.239 418 W CB 1.672 31.158 29.460 0.043 0.000 1.378 418 W HN 0.845 nan 8.180 nan 0.000 0.456 419 E N 2.833 122.676 120.200 -0.595 0.000 2.476 419 E HA 0.205 4.561 4.350 0.009 0.000 0.196 419 E C 1.149 177.337 176.600 -0.685 0.000 1.029 419 E CA -0.033 56.075 56.400 -0.487 0.000 0.896 419 E CB 0.970 30.480 29.700 -0.317 0.000 1.012 419 E HN 0.435 nan 8.360 nan 0.000 0.475 420 G N 0.030 107.992 108.800 -1.397 0.000 2.543 420 G HA2 0.212 4.177 3.960 0.009 0.000 0.267 420 G HA3 0.212 4.177 3.960 0.009 0.000 0.267 420 G C -0.012 174.832 174.900 -0.094 0.000 1.406 420 G CA -0.584 44.055 45.100 -0.767 0.000 1.048 420 G HN -0.088 nan 8.290 nan 0.000 0.548 421 E N 0.392 120.714 120.200 0.203 0.000 2.345 421 E HA 0.182 4.538 4.350 0.009 0.000 0.259 421 E C -0.570 176.065 176.600 0.059 0.000 1.117 421 E CA -0.406 56.038 56.400 0.073 0.000 0.913 421 E CB 0.704 30.365 29.700 -0.066 0.000 1.057 421 E HN 0.282 nan 8.360 nan 0.000 0.432 422 D N 1.323 121.671 120.400 -0.088 0.000 2.423 422 D HA 0.110 4.755 4.640 0.009 0.000 0.238 422 D C -0.234 175.810 176.300 -0.426 0.000 1.142 422 D CA 0.687 54.624 54.000 -0.105 0.000 0.884 422 D CB 0.357 41.131 40.800 -0.043 0.000 1.199 422 D HN 0.226 nan 8.370 nan 0.000 0.438 423 H N 1.135 120.243 119.070 0.065 0.000 3.181 423 H HA 0.162 4.724 4.556 0.009 0.000 0.331 423 H C -1.870 173.476 175.328 0.030 0.000 0.988 423 H CA -1.252 54.821 56.048 0.042 0.000 1.449 423 H CB 1.989 31.762 29.762 0.017 0.000 1.749 423 H HN 0.101 nan 8.280 nan 0.000 0.501 424 P HA -0.121 nan 4.420 nan 0.000 0.216 424 P C 0.006 177.371 177.300 0.109 0.000 1.150 424 P CA 0.882 64.040 63.100 0.096 0.000 0.837 424 P CB 0.669 32.415 31.700 0.077 0.000 0.786 425 L N -1.961 119.345 121.223 0.138 0.000 2.516 425 L HA 0.707 5.053 4.340 0.009 0.000 0.267 425 L C -1.526 175.446 176.870 0.169 0.000 0.957 425 L CA -0.931 54.002 54.840 0.155 0.000 0.860 425 L CB 1.509 43.657 42.059 0.148 0.000 1.265 425 L HN -0.165 nan 8.230 nan 0.000 0.403 426 A N 3.894 126.822 122.820 0.180 0.000 2.515 426 A HA 0.824 5.150 4.320 0.009 0.000 0.296 426 A C -1.962 175.745 177.584 0.204 0.000 1.094 426 A CA -0.613 51.480 52.037 0.094 0.000 0.718 426 A CB 1.645 20.578 19.000 -0.110 0.000 1.307 426 A HN 0.731 nan 8.150 nan 0.000 0.408 427 L N 1.765 123.059 121.223 0.118 0.000 2.264 427 L HA 0.609 4.955 4.340 0.009 0.000 0.289 427 L C -0.762 176.111 176.870 0.005 0.000 1.044 427 L CA -0.150 54.738 54.840 0.079 0.000 0.807 427 L CB 1.211 43.331 42.059 0.100 0.000 1.192 427 L HN 0.406 nan 8.230 nan 0.000 0.425 428 V N 6.194 126.101 119.914 -0.012 0.000 2.407 428 V HA 0.581 4.707 4.120 0.009 0.000 0.278 428 V C -0.003 176.089 176.094 -0.004 0.000 1.037 428 V CA -0.381 61.845 62.300 -0.123 0.000 0.900 428 V CB 1.451 33.025 31.823 -0.416 0.000 0.983 428 V HN 0.669 nan 8.190 nan 0.000 0.459 429 V N 3.565 123.482 119.914 0.006 0.000 3.001 429 V HA 0.737 4.863 4.120 0.009 0.000 0.314 429 V C -0.835 175.320 176.094 0.102 0.000 1.099 429 V CA -1.181 61.186 62.300 0.112 0.000 0.989 429 V CB 2.056 33.965 31.823 0.143 0.000 1.040 429 V HN 0.586 nan 8.190 nan 0.000 0.434 430 L N 2.629 123.970 121.223 0.197 0.000 2.264 430 L HA 0.544 4.889 4.340 0.009 0.000 0.289 430 L C 0.123 177.116 176.870 0.204 0.000 1.044 430 L CA -0.028 54.950 54.840 0.228 0.000 0.807 430 L CB 0.896 43.173 42.059 0.363 0.000 1.192 430 L HN 0.928 nan 8.230 nan 0.000 0.425 431 K N 3.362 123.844 120.400 0.136 0.000 2.234 431 K HA 0.561 4.886 4.320 0.009 0.000 0.277 431 K C -0.528 176.151 176.600 0.131 0.000 1.038 431 K CA -0.265 56.067 56.287 0.076 0.000 0.888 431 K CB 0.676 33.190 32.500 0.024 0.000 1.091 431 K HN 0.822 nan 8.250 nan 0.000 0.467 432 T N -0.197 114.430 114.554 0.122 0.000 2.864 432 T HA 0.463 4.819 4.350 0.009 0.000 0.289 432 T C 0.821 175.566 174.700 0.075 0.000 1.082 432 T CA -0.507 61.693 62.100 0.167 0.000 1.009 432 T CB 1.567 70.621 68.868 0.309 0.000 1.234 432 T HN 0.386 nan 8.240 nan 0.000 0.526 433 A N 0.052 122.914 122.820 0.070 0.000 2.172 433 A HA 0.453 4.778 4.320 0.009 0.000 0.216 433 A C 2.139 179.740 177.584 0.027 0.000 1.154 433 A CA 1.202 53.255 52.037 0.027 0.000 0.701 433 A CB -1.123 17.885 19.000 0.014 0.000 0.789 433 A HN 1.304 nan 8.150 nan 0.000 0.465 434 A N -1.409 121.458 122.820 0.078 0.000 2.275 434 A HA 0.518 4.844 4.320 0.009 0.000 0.212 434 A C 1.176 178.777 177.584 0.028 0.000 1.201 434 A CA 1.003 53.107 52.037 0.112 0.000 0.843 434 A CB -0.716 18.416 19.000 0.221 0.000 0.873 434 A HN 1.933 nan 8.150 nan 0.000 0.492 435 G N -0.800 107.933 108.800 -0.110 0.000 2.384 435 G HA2 0.026 3.992 3.960 0.009 0.000 0.668 435 G HA3 0.026 3.992 3.960 0.009 0.000 0.668 435 G C -1.006 173.547 174.900 -0.579 0.000 1.280 435 G CA -0.724 44.169 45.100 -0.344 0.000 0.992 435 G HN 0.282 nan 8.290 nan 0.000 0.512 436 E N -0.556 119.280 120.200 -0.607 0.000 2.216 436 E HA 0.606 4.962 4.350 0.009 0.000 0.279 436 E C -1.094 175.228 176.600 -0.464 0.000 0.997 436 E CA -0.272 55.868 56.400 -0.433 0.000 0.817 436 E CB 1.219 30.729 29.700 -0.316 0.000 1.096 436 E HN 0.294 nan 8.360 nan 0.000 0.393 437 F N 3.205 123.312 119.950 0.260 0.000 2.529 437 F HA 0.322 4.855 4.527 0.010 0.000 0.320 437 F C -2.124 173.815 175.800 0.232 0.000 1.118 437 F CA -2.825 55.329 58.000 0.258 0.000 0.915 437 F CB 1.452 40.530 39.000 0.129 0.000 1.161 437 F HN 0.239 nan 8.300 nan 0.000 0.445 438 P HA 0.180 nan 4.420 nan 0.000 0.271 438 P C 0.038 177.435 177.300 0.162 0.000 1.218 438 P CA 0.033 63.249 63.100 0.194 0.000 0.780 438 P CB 1.710 33.425 31.700 0.025 0.000 0.901 439 L N 0.191 121.513 121.223 0.165 0.000 2.526 439 L HA 0.345 4.691 4.340 0.009 0.000 0.210 439 L C 0.759 177.740 176.870 0.185 0.000 1.048 439 L CA 0.749 55.718 54.840 0.215 0.000 0.852 439 L CB 0.160 42.414 42.059 0.324 0.000 1.128 439 L HN 0.410 nan 8.230 nan 0.000 0.482 440 D N -2.552 117.953 120.400 0.175 0.000 2.926 440 D HA 0.178 4.824 4.640 0.009 0.000 0.282 440 D C -1.439 174.896 176.300 0.059 0.000 1.201 440 D CA -0.553 53.509 54.000 0.103 0.000 0.735 440 D CB 0.821 41.708 40.800 0.145 0.000 1.257 440 D HN -0.290 nan 8.370 nan 0.000 0.428 441 F N 0.515 120.581 119.950 0.194 0.000 2.418 441 F HA 0.600 5.133 4.527 0.009 0.000 0.341 441 F C 1.476 177.411 175.800 0.226 0.000 1.120 441 F CA 0.756 58.872 58.000 0.193 0.000 1.232 441 F CB 1.452 40.535 39.000 0.137 0.000 1.175 441 F HN 0.256 nan 8.300 nan 0.000 0.569 442 G N 1.382 110.412 108.800 0.384 0.000 2.619 442 G HA2 0.566 4.532 3.960 0.009 0.000 0.296 442 G HA3 0.566 4.532 3.960 0.009 0.000 0.296 442 G C -1.999 172.997 174.900 0.159 0.000 1.334 442 G CA -0.919 44.359 45.100 0.297 0.000 0.934 442 G HN 0.549 nan 8.290 nan 0.000 0.476 443 K N 0.158 120.623 120.400 0.109 0.000 2.463 443 K HA 0.675 5.000 4.320 0.009 0.000 0.255 443 K C -0.700 175.905 176.600 0.007 0.000 0.942 443 K CA -0.680 55.646 56.287 0.065 0.000 0.814 443 K CB 1.721 34.260 32.500 0.065 0.000 1.122 443 K HN 0.640 nan 8.250 nan 0.000 0.425 444 A N 4.018 126.825 122.820 -0.022 0.000 2.271 444 A HA 0.574 4.900 4.320 0.009 0.000 0.317 444 A C -1.090 176.522 177.584 0.047 0.000 1.245 444 A CA -0.544 51.447 52.037 -0.076 0.000 0.857 444 A CB 0.880 19.706 19.000 -0.289 0.000 1.175 444 A HN 0.640 nan 8.150 nan 0.000 0.512 445 K N 1.588 122.037 120.400 0.081 0.000 2.565 445 K HA 0.479 4.805 4.320 0.009 0.000 0.251 445 K C -0.181 176.480 176.600 0.101 0.000 0.956 445 K CA -0.420 55.916 56.287 0.081 0.000 0.809 445 K CB 0.835 33.368 32.500 0.056 0.000 1.267 445 K HN 0.641 nan 8.250 nan 0.000 0.438 446 R N 2.991 123.548 120.500 0.094 0.000 3.322 446 R HA -0.244 4.102 4.340 0.009 0.000 0.253 446 R C 0.415 176.779 176.300 0.107 0.000 0.987 446 R CA 1.007 57.157 56.100 0.083 0.000 0.666 446 R CB -1.986 28.349 30.300 0.058 0.000 1.072 446 R HN 1.211 nan 8.270 nan 0.000 0.447 447 G N -1.750 107.149 108.800 0.165 0.000 2.159 447 G HA2 -0.307 3.659 3.960 0.009 0.000 0.256 447 G HA3 -0.307 3.659 3.960 0.009 0.000 0.256 447 G C 0.038 175.071 174.900 0.223 0.000 0.977 447 G CA 0.070 45.281 45.100 0.184 0.000 0.652 447 G HN 0.317 nan 8.290 nan 0.000 0.531 448 V N 0.627 120.666 119.914 0.207 0.000 2.588 448 V HA 0.724 4.849 4.120 0.009 0.000 0.304 448 V C -0.175 176.000 176.094 0.135 0.000 1.042 448 V CA -0.937 61.468 62.300 0.174 0.000 0.877 448 V CB 1.844 33.734 31.823 0.113 0.000 0.996 448 V HN 0.473 nan 8.190 nan 0.000 0.425 449 L N 6.262 127.557 121.223 0.120 0.000 2.280 449 L HA 0.653 4.998 4.340 0.009 0.000 0.287 449 L C -0.109 176.860 176.870 0.165 0.000 1.023 449 L CA 0.107 54.941 54.840 -0.010 0.000 0.819 449 L CB 0.861 42.777 42.059 -0.238 0.000 1.212 449 L HN 0.612 nan 8.230 nan 0.000 0.420 450 R N 5.750 126.347 120.500 0.162 0.000 2.637 450 R HA 0.582 4.928 4.340 0.009 0.000 0.291 450 R C -2.519 173.872 176.300 0.152 0.000 0.963 450 R CA -1.920 54.265 56.100 0.142 0.000 0.901 450 R CB 1.561 31.896 30.300 0.058 0.000 1.160 450 R HN 0.450 nan 8.270 nan 0.000 0.457 451 P HA 0.023 nan 4.420 nan 0.000 0.281 451 P C 0.346 177.583 177.300 -0.105 0.000 1.252 451 P CA -0.149 62.726 63.100 -0.375 0.000 0.778 451 P CB 1.149 32.301 31.700 -0.914 0.000 0.895 452 V N 0.017 119.946 119.914 0.024 0.000 3.398 452 V HA 0.417 4.543 4.120 0.009 0.000 0.298 452 V C 0.822 176.937 176.094 0.036 0.000 1.496 452 V CA 0.270 62.586 62.300 0.027 0.000 1.044 452 V CB -0.257 31.592 31.823 0.043 0.000 0.880 452 V HN 0.496 nan 8.190 nan 0.000 0.443 453 G N 2.124 110.992 108.800 0.114 0.000 2.305 453 G HA2 0.398 4.364 3.960 0.009 0.000 0.243 453 G HA3 0.398 4.364 3.960 0.009 0.000 0.243 453 G C 0.084 175.005 174.900 0.036 0.000 1.288 453 G CA 0.556 45.739 45.100 0.139 0.000 0.901 453 G HN 1.168 nan 8.290 nan 0.000 0.516 454 V N 1.740 121.640 119.914 -0.025 0.000 2.715 454 V HA 0.681 4.807 4.120 0.009 0.000 0.299 454 V C 1.007 177.197 176.094 0.160 0.000 1.054 454 V CA -0.362 61.962 62.300 0.040 0.000 1.077 454 V CB 0.723 32.556 31.823 0.016 0.000 0.972 454 V HN 0.847 nan 8.190 nan 0.000 0.484 455 G N 3.102 112.008 108.800 0.176 0.000 2.476 455 G HA2 0.504 4.469 3.960 0.009 0.000 0.269 455 G HA3 0.504 4.469 3.960 0.009 0.000 0.269 455 G C -0.742 174.283 174.900 0.208 0.000 1.195 455 G CA -0.797 44.401 45.100 0.163 0.000 0.843 455 G HN 1.011 nan 8.290 nan 0.000 0.545 456 L N 1.634 122.952 121.223 0.157 0.000 2.325 456 L HA 0.546 4.892 4.340 0.009 0.000 0.284 456 L C 0.493 177.312 176.870 -0.085 0.000 1.089 456 L CA -0.049 54.818 54.840 0.046 0.000 0.836 456 L CB -0.189 41.945 42.059 0.124 0.000 1.184 456 L HN 0.576 nan 8.230 nan 0.000 0.444 457 R N 2.531 122.872 120.500 -0.265 0.000 2.799 457 R HA 0.437 4.783 4.340 0.009 0.000 0.270 457 R C -1.005 174.984 176.300 -0.518 0.000 1.010 457 R CA -0.958 54.934 56.100 -0.347 0.000 0.916 457 R CB 1.894 31.976 30.300 -0.363 0.000 1.228 457 R HN 0.525 nan 8.270 nan 0.000 0.469 458 S N 1.083 116.566 115.700 -0.362 0.000 2.448 458 S HA 0.185 4.661 4.470 0.009 0.000 0.279 458 S C -0.282 174.104 174.600 -0.357 0.000 1.195 458 S CA -0.446 57.581 58.200 -0.287 0.000 1.051 458 S CB 0.038 63.148 63.200 -0.150 0.000 0.948 458 S HN 0.386 nan 8.310 nan 0.000 0.493 459 H N 2.212 121.199 119.070 -0.138 0.000 2.497 459 H HA 0.333 4.895 4.556 0.010 0.000 0.348 459 H C 1.395 176.679 175.328 -0.074 0.000 1.335 459 H CA 0.202 56.173 56.048 -0.128 0.000 1.395 459 H CB -0.243 29.396 29.762 -0.205 0.000 1.658 459 H HN 0.914 nan 8.280 nan 0.000 0.613 460 H N 0.000 119.131 119.070 0.102 0.000 2.539 460 H HA 0.000 4.562 4.556 0.009 0.000 0.296 460 H CA 0.000 56.077 56.048 0.048 0.000 1.023 460 H CB 0.000 nan 29.762 nan 0.000 1.292 460 H HN 0.000 nan 8.280 nan 0.000 0.496