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 2reb_1_A DATA FIRST_RESID 3 DATA SEQUENCE DENKQKALAA ALGQIEKQFG KGSIMRLGED RSMDVETIST GSLSLDIALG DATA SEQUENCE AGGLPMGRIV EIYGPESSGK TTLTLQVIAA AQREGKTCAF IDAEHALDPI DATA SEQUENCE YARKLGVDID NLLCSQPDTG EQALEICDAL ARSGAVDVIV VDSVAALTPK DATA SEQUENCE AEIEXXXXXX XXGLAARMMS QAMRKLAGNL KQSNTLLIFI NQXXXXXXXX DATA SEQUENCE XXXXXXXTGG NALKFYASVR LDIRRIGAVK EGENVVGSET RVKVVKNKIA DATA SEQUENCE APFKQAEFQI LYGEGINFYG ELVDLGVKEK LIEKAGAWYS YKGEKIGQGK DATA SEQUENCE ANATAWLKDN PETAKEIEKK VRELLL 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.304 176.300 0.007 0.000 2.045 3 D CA 0.000 54.004 54.000 0.007 0.000 0.868 3 D CB 0.000 40.804 40.800 0.007 0.000 0.688 4 E N -2.981 117.223 120.200 0.007 0.000 4.109 4 E HA -0.480 3.870 4.350 -0.000 0.000 0.206 4 E C 2.353 178.957 176.600 0.007 0.000 1.281 4 E CA 4.454 60.859 56.400 0.007 0.000 2.179 4 E CB -2.703 27.001 29.700 0.006 0.000 1.884 4 E HN 2.378 nan 8.360 nan 0.000 0.280 5 N N 1.265 119.969 118.700 0.007 0.000 2.104 5 N HA -0.136 4.604 4.740 -0.000 0.000 0.190 5 N C 2.169 177.684 175.510 0.008 0.000 1.024 5 N CA 2.826 55.880 53.050 0.007 0.000 0.853 5 N CB -0.514 37.977 38.487 0.007 0.000 1.008 5 N HN 0.925 nan 8.380 nan 0.000 0.424 6 K N -0.688 119.717 120.400 0.009 0.000 2.097 6 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 6 K C 2.169 178.775 176.600 0.011 0.000 1.050 6 K CA 1.136 57.429 56.287 0.010 0.000 0.938 6 K CB -0.001 32.505 32.500 0.009 0.000 0.718 6 K HN 0.296 nan 8.250 nan 0.000 0.442 7 Q N 0.983 120.789 119.800 0.010 0.000 2.123 7 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 7 Q C 1.677 177.684 176.000 0.012 0.000 0.966 7 Q CA 1.434 57.244 55.803 0.011 0.000 0.845 7 Q CB 0.157 28.902 28.738 0.011 0.000 0.907 7 Q HN 0.302 nan 8.270 nan 0.000 0.439 8 K N -0.226 120.180 120.400 0.010 0.000 2.097 8 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 8 K C 1.988 178.594 176.600 0.011 0.000 1.050 8 K CA 1.056 57.349 56.287 0.010 0.000 0.938 8 K CB -0.059 32.446 32.500 0.008 0.000 0.718 8 K HN 0.103 nan 8.250 nan 0.000 0.442 9 A N 1.274 124.101 122.820 0.011 0.000 1.930 9 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 9 A C 2.067 179.660 177.584 0.015 0.000 1.175 9 A CA 0.980 53.024 52.037 0.012 0.000 0.627 9 A CB -0.378 18.629 19.000 0.012 0.000 0.815 9 A HN 0.189 nan 8.150 nan 0.000 0.443 10 L N -0.207 121.026 121.223 0.016 0.000 2.005 10 L HA 0.014 4.354 4.340 -0.000 0.000 0.207 10 L C 2.728 179.610 176.870 0.020 0.000 1.072 10 L CA 2.186 57.037 54.840 0.019 0.000 0.744 10 L CB -0.901 41.169 42.059 0.018 0.000 0.895 10 L HN 0.323 nan 8.230 nan 0.000 0.433 11 A N -0.574 122.256 122.820 0.018 0.000 1.940 11 A HA -0.162 4.158 4.320 -0.000 0.000 0.219 11 A C 2.404 179.998 177.584 0.017 0.000 1.176 11 A CA 1.976 54.024 52.037 0.018 0.000 0.631 11 A CB -1.132 17.877 19.000 0.015 0.000 0.814 11 A HN 0.594 nan 8.150 nan 0.000 0.446 12 A N -0.245 122.585 122.820 0.015 0.000 1.873 12 A HA 0.224 4.544 4.320 -0.000 0.000 0.215 12 A C 2.531 180.126 177.584 0.018 0.000 1.186 12 A CA 1.951 53.997 52.037 0.014 0.000 0.616 12 A CB -1.072 17.935 19.000 0.011 0.000 0.823 12 A HN 1.054 nan 8.150 nan 0.000 0.442 13 A N -0.688 122.145 122.820 0.022 0.000 1.902 13 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 13 A C 2.031 179.638 177.584 0.040 0.000 1.181 13 A CA 1.734 53.789 52.037 0.030 0.000 0.623 13 A CB -0.576 18.443 19.000 0.031 0.000 0.818 13 A HN 0.393 nan 8.150 nan 0.000 0.443 14 L N -0.082 121.163 121.223 0.037 0.000 2.083 14 L HA -0.075 4.264 4.340 -0.000 0.000 0.209 14 L C 2.686 179.581 176.870 0.041 0.000 1.083 14 L CA 1.890 56.755 54.840 0.043 0.000 0.752 14 L CB -1.241 40.839 42.059 0.035 0.000 0.899 14 L HN 0.403 nan 8.230 nan 0.000 0.433 15 G N -2.003 106.814 108.800 0.029 0.000 2.422 15 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 15 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 15 G C 1.591 176.501 174.900 0.016 0.000 1.146 15 G CA 0.587 45.700 45.100 0.021 0.000 0.769 15 G HN 0.327 nan 8.290 nan 0.000 0.547 16 Q N 0.070 119.880 119.800 0.017 0.000 2.046 16 Q HA 0.062 4.401 4.340 -0.000 0.000 0.200 16 Q C 2.554 178.560 176.000 0.010 0.000 0.975 16 Q CA 1.022 56.827 55.803 0.003 0.000 0.836 16 Q CB -0.270 28.474 28.738 0.009 0.000 0.896 16 Q HN 0.589 nan 8.270 nan 0.000 0.428 17 I N 0.223 120.837 120.570 0.073 0.000 2.179 17 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 17 I C 2.031 178.242 176.117 0.157 0.000 1.088 17 I CA 1.383 62.792 61.300 0.182 0.000 1.357 17 I CB -0.322 37.797 38.000 0.198 0.000 1.051 17 I HN 0.285 nan 8.210 nan 0.000 0.409 18 E N 0.752 121.009 120.200 0.094 0.000 2.085 18 E HA -0.288 4.062 4.350 -0.000 0.000 0.194 18 E C 2.169 178.785 176.600 0.028 0.000 0.994 18 E CA 1.190 57.633 56.400 0.073 0.000 0.801 18 E CB -0.123 29.606 29.700 0.048 0.000 0.743 18 E HN 0.368 nan 8.360 nan 0.000 0.453 19 K N 0.979 121.373 120.400 -0.010 0.000 2.057 19 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 19 K C 2.240 178.775 176.600 -0.108 0.000 1.049 19 K CA 1.505 57.764 56.287 -0.046 0.000 0.931 19 K CB 0.026 32.497 32.500 -0.048 0.000 0.714 19 K HN 0.057 nan 8.250 nan 0.000 0.440 20 Q N -1.158 118.517 119.800 -0.208 0.000 2.096 20 Q HA -0.070 4.270 4.340 -0.000 0.000 0.197 20 Q C 0.839 176.518 176.000 -0.535 0.000 0.964 20 Q CA 1.158 56.676 55.803 -0.476 0.000 0.838 20 Q CB 0.269 28.562 28.738 -0.742 0.000 0.906 20 Q HN 0.279 nan 8.270 nan 0.000 0.444 21 F N -0.890 119.062 119.950 0.002 0.000 2.706 21 F HA 0.408 4.936 4.527 0.000 0.000 0.313 21 F C 0.632 176.433 175.800 0.003 0.000 1.096 21 F CA 0.496 58.497 58.000 0.001 0.000 1.219 21 F CB 1.375 40.376 39.000 0.001 0.000 1.051 21 F HN 0.110 nan 8.300 nan 0.000 0.568 22 G N 0.493 109.369 108.800 0.126 0.000 2.570 22 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.686 22 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.686 22 G C 0.461 175.407 174.900 0.076 0.000 1.257 22 G CA -0.826 44.324 45.100 0.083 0.000 0.846 22 G HN -0.123 nan 8.290 nan 0.000 0.627 23 K N 0.312 120.741 120.400 0.049 0.000 2.147 23 K HA -0.051 4.269 4.320 -0.000 0.000 0.205 23 K C 2.498 179.122 176.600 0.040 0.000 1.049 23 K CA 1.763 58.074 56.287 0.041 0.000 0.936 23 K CB -0.478 32.039 32.500 0.028 0.000 0.722 23 K HN 0.885 nan 8.250 nan 0.000 0.446 24 G N 0.824 109.647 108.800 0.038 0.000 3.088 24 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.212 24 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.212 24 G C 1.360 176.278 174.900 0.030 0.000 1.173 24 G CA 0.520 45.635 45.100 0.026 0.000 0.779 24 G HN 0.346 nan 8.290 nan 0.000 0.540 25 S N -0.502 115.231 115.700 0.055 0.000 2.406 25 S HA 0.196 4.666 4.470 -0.000 0.000 0.228 25 S C 0.748 175.366 174.600 0.030 0.000 1.020 25 S CA 0.184 58.415 58.200 0.051 0.000 0.965 25 S CB 0.245 63.522 63.200 0.127 0.000 0.798 25 S HN 0.317 nan 8.310 nan 0.000 0.488 26 I N -0.040 120.554 120.570 0.041 0.000 2.802 26 I HA 0.619 4.789 4.170 -0.000 0.000 0.298 26 I C -1.650 174.485 176.117 0.031 0.000 1.176 26 I CA -1.276 60.044 61.300 0.033 0.000 1.025 26 I CB 2.090 40.115 38.000 0.042 0.000 1.243 26 I HN 0.205 nan 8.210 nan 0.000 0.424 27 M N 5.149 124.766 119.600 0.028 0.000 2.622 27 M HA 0.496 4.976 4.480 -0.000 0.000 0.276 27 M C -1.021 175.299 176.300 0.033 0.000 1.265 27 M CA -0.708 54.607 55.300 0.026 0.000 0.850 27 M CB 2.719 35.327 32.600 0.014 0.000 1.720 27 M HN 0.419 nan 8.290 nan 0.000 0.465 28 R N 0.881 121.400 120.500 0.032 0.000 2.349 28 R HA 0.438 4.777 4.340 -0.000 0.000 0.299 28 R C 0.618 176.944 176.300 0.042 0.000 1.027 28 R CA -0.238 55.884 56.100 0.037 0.000 0.958 28 R CB 0.889 31.207 30.300 0.031 0.000 1.047 28 R HN 0.703 nan 8.270 nan 0.000 0.468 29 L N 1.813 123.070 121.223 0.058 0.000 2.376 29 L HA -0.005 4.335 4.340 -0.000 0.000 0.219 29 L C 1.629 178.533 176.870 0.056 0.000 1.133 29 L CA 1.003 55.886 54.840 0.072 0.000 0.816 29 L CB 0.025 42.154 42.059 0.116 0.000 0.933 29 L HN 0.828 nan 8.230 nan 0.000 0.449 30 G N -0.602 108.224 108.800 0.043 0.000 3.434 30 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.258 30 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.258 30 G C 0.288 175.205 174.900 0.028 0.000 1.128 30 G CA -0.340 44.781 45.100 0.035 0.000 0.792 30 G HN 0.224 nan 8.290 nan 0.000 0.539 31 E N 1.631 121.847 120.200 0.026 0.000 2.265 31 E HA 0.054 4.404 4.350 -0.000 0.000 0.272 31 E C 0.713 177.324 176.600 0.018 0.000 1.067 31 E CA -0.363 56.050 56.400 0.021 0.000 0.900 31 E CB 0.635 30.347 29.700 0.020 0.000 1.017 31 E HN 0.339 nan 8.360 nan 0.000 0.431 32 D N 4.222 124.633 120.400 0.018 0.000 2.350 32 D HA -0.153 4.487 4.640 -0.000 0.000 0.216 32 D C 0.652 176.960 176.300 0.014 0.000 0.968 32 D CA 0.417 54.426 54.000 0.016 0.000 0.894 32 D CB -0.044 40.766 40.800 0.016 0.000 0.909 32 D HN 0.237 nan 8.370 nan 0.000 0.520 33 R N 0.185 120.693 120.500 0.013 0.000 2.582 33 R HA 0.306 4.646 4.340 -0.000 0.000 0.271 33 R C -0.403 175.903 176.300 0.009 0.000 1.078 33 R CA -0.249 55.858 56.100 0.011 0.000 1.127 33 R CB 0.822 31.129 30.300 0.012 0.000 1.038 33 R HN 0.043 nan 8.270 nan 0.000 0.500 34 S N 2.614 118.319 115.700 0.008 0.000 2.632 34 S HA 0.441 4.911 4.470 -0.000 0.000 0.289 34 S C -0.430 174.174 174.600 0.007 0.000 1.115 34 S CA -0.910 57.294 58.200 0.005 0.000 0.889 34 S CB 1.237 64.439 63.200 0.004 0.000 1.116 34 S HN 0.570 nan 8.310 nan 0.000 0.486 35 M N 2.269 121.873 119.600 0.006 0.000 2.242 35 M HA 0.231 4.711 4.480 -0.000 0.000 0.344 35 M C -0.754 175.550 176.300 0.007 0.000 1.140 35 M CA -0.097 55.208 55.300 0.008 0.000 1.160 35 M CB 0.077 32.683 32.600 0.010 0.000 1.491 35 M HN 0.610 nan 8.290 nan 0.000 0.459 36 D N 2.205 122.610 120.400 0.008 0.000 2.346 36 D HA 0.300 4.939 4.640 -0.000 0.000 0.260 36 D C -0.769 175.534 176.300 0.006 0.000 1.252 36 D CA 0.214 54.218 54.000 0.006 0.000 0.895 36 D CB 0.279 41.083 40.800 0.006 0.000 1.097 36 D HN 0.275 nan 8.370 nan 0.000 0.489 37 V N -0.414 119.502 119.914 0.005 0.000 3.007 37 V HA 0.476 4.595 4.120 -0.000 0.000 0.311 37 V C -0.167 175.928 176.094 0.001 0.000 1.120 37 V CA -1.311 60.992 62.300 0.005 0.000 0.980 37 V CB 2.011 33.838 31.823 0.006 0.000 1.033 37 V HN 0.252 nan 8.190 nan 0.000 0.429 38 E N 1.954 122.154 120.200 0.000 0.000 2.338 38 E HA 0.547 4.897 4.350 -0.000 0.000 0.272 38 E C 0.057 176.654 176.600 -0.006 0.000 1.029 38 E CA -0.083 56.315 56.400 -0.004 0.000 0.872 38 E CB 1.297 30.994 29.700 -0.005 0.000 1.015 38 E HN 0.997 nan 8.360 nan 0.000 0.417 39 T N -0.274 114.274 114.554 -0.010 0.000 2.916 39 T HA 0.617 4.967 4.350 -0.000 0.000 0.292 39 T C -0.358 174.329 174.700 -0.021 0.000 1.064 39 T CA -0.950 61.142 62.100 -0.013 0.000 1.011 39 T CB 1.011 69.872 68.868 -0.012 0.000 1.152 39 T HN 0.152 nan 8.240 nan 0.000 0.510 40 I N 1.948 122.503 120.570 -0.025 0.000 2.433 40 I HA 0.414 4.583 4.170 -0.000 0.000 0.292 40 I C 0.822 176.913 176.117 -0.044 0.000 1.001 40 I CA -0.640 60.638 61.300 -0.036 0.000 1.119 40 I CB 1.671 39.651 38.000 -0.034 0.000 1.289 40 I HN 0.920 nan 8.210 nan 0.000 0.438 41 S N 3.107 118.771 115.700 -0.059 0.000 2.579 41 S HA 0.097 4.567 4.470 -0.000 0.000 0.275 41 S C 1.354 175.906 174.600 -0.079 0.000 1.345 41 S CA 0.224 58.382 58.200 -0.072 0.000 1.031 41 S CB 0.559 63.700 63.200 -0.099 0.000 0.892 41 S HN 0.795 nan 8.310 nan 0.000 0.529 42 T N 0.762 115.266 114.554 -0.084 0.000 3.081 42 T HA 0.357 4.707 4.350 -0.000 0.000 0.250 42 T C 1.437 176.055 174.700 -0.137 0.000 1.100 42 T CA 0.658 62.703 62.100 -0.092 0.000 1.038 42 T CB -0.275 68.545 68.868 -0.079 0.000 0.962 42 T HN 1.595 nan 8.240 nan 0.000 0.516 43 G N 0.669 109.374 108.800 -0.159 0.000 2.195 43 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.246 43 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.246 43 G C 0.181 174.962 174.900 -0.200 0.000 0.984 43 G CA 0.160 45.140 45.100 -0.200 0.000 0.633 43 G HN 1.041 nan 8.290 nan 0.000 0.525 44 S N -0.008 115.561 115.700 -0.218 0.000 2.498 44 S HA 0.677 5.147 4.470 -0.000 0.000 0.317 44 S C 1.403 175.964 174.600 -0.065 0.000 1.090 44 S CA -0.208 57.837 58.200 -0.258 0.000 1.089 44 S CB 1.244 64.058 63.200 -0.642 0.000 0.997 44 S HN 0.436 nan 8.310 nan 0.000 0.470 45 L N 4.328 125.588 121.223 0.061 0.000 2.017 45 L HA -0.078 4.261 4.340 -0.000 0.000 0.208 45 L C 2.530 179.403 176.870 0.005 0.000 1.073 45 L CA 2.118 56.997 54.840 0.065 0.000 0.745 45 L CB -0.596 41.453 42.059 -0.017 0.000 0.894 45 L HN 0.899 nan 8.230 nan 0.000 0.432 46 S N -0.785 114.914 115.700 -0.002 0.000 2.428 46 S HA -0.175 4.295 4.470 -0.000 0.000 0.230 46 S C 1.934 176.566 174.600 0.053 0.000 1.014 46 S CA 0.642 58.865 58.200 0.038 0.000 0.957 46 S CB -0.474 62.776 63.200 0.084 0.000 0.784 46 S HN 0.419 nan 8.310 nan 0.000 0.499 47 L N 1.396 122.642 121.223 0.038 0.000 2.072 47 L HA -0.082 4.258 4.340 -0.000 0.000 0.205 47 L C 1.929 178.807 176.870 0.013 0.000 1.079 47 L CA 1.631 56.498 54.840 0.045 0.000 0.752 47 L CB -0.541 41.532 42.059 0.024 0.000 0.906 47 L HN 0.221 nan 8.230 nan 0.000 0.436 48 D N 0.189 120.585 120.400 -0.006 0.000 2.123 48 D HA -0.207 4.433 4.640 -0.000 0.000 0.196 48 D C 2.154 178.458 176.300 0.007 0.000 0.992 48 D CA 1.377 55.374 54.000 -0.004 0.000 0.833 48 D CB -0.062 40.735 40.800 -0.006 0.000 0.954 48 D HN 0.352 nan 8.370 nan 0.000 0.455 49 I N 0.876 121.454 120.570 0.014 0.000 2.233 49 I HA -0.206 3.964 4.170 -0.000 0.000 0.243 49 I C 2.443 178.571 176.117 0.018 0.000 1.093 49 I CA 0.907 62.217 61.300 0.017 0.000 1.380 49 I CB -0.196 37.816 38.000 0.020 0.000 1.067 49 I HN -0.084 nan 8.210 nan 0.000 0.413 50 A N 0.769 123.605 122.820 0.025 0.000 1.978 50 A HA -0.175 4.145 4.320 -0.000 0.000 0.220 50 A C 2.232 179.823 177.584 0.012 0.000 1.170 50 A CA 1.477 53.530 52.037 0.026 0.000 0.636 50 A CB -0.888 18.136 19.000 0.041 0.000 0.810 50 A HN 0.422 nan 8.150 nan 0.000 0.448 51 L N -1.639 119.589 121.223 0.007 0.000 2.465 51 L HA 0.057 4.397 4.340 -0.000 0.000 0.224 51 L C 2.170 179.036 176.870 -0.007 0.000 1.145 51 L CA 0.706 55.544 54.840 -0.004 0.000 0.834 51 L CB -0.322 41.735 42.059 -0.003 0.000 0.944 51 L HN 0.630 nan 8.230 nan 0.000 0.451 52 G N -0.304 108.496 108.800 -0.000 0.000 2.708 52 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.229 52 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.229 52 G C 1.044 175.945 174.900 0.002 0.000 1.236 52 G CA 0.427 45.527 45.100 0.001 0.000 0.749 52 G HN 0.454 nan 8.290 nan 0.000 0.515 53 A N 0.639 123.458 122.820 -0.001 0.000 2.275 53 A HA 0.574 4.894 4.320 -0.000 0.000 0.212 53 A C 2.486 180.069 177.584 -0.001 0.000 1.201 53 A CA 1.775 53.812 52.037 -0.001 0.000 0.843 53 A CB -0.592 18.407 19.000 -0.002 0.000 0.873 53 A HN 2.606 nan 8.150 nan 0.000 0.492 54 G N -2.632 106.167 108.800 -0.001 0.000 2.159 54 G HA2 0.243 4.203 3.960 -0.000 0.000 0.256 54 G HA3 0.243 4.203 3.960 -0.000 0.000 0.256 54 G C 0.864 175.757 174.900 -0.012 0.000 0.977 54 G CA 0.415 45.513 45.100 -0.003 0.000 0.652 54 G HN 2.139 nan 8.290 nan 0.000 0.531 55 G N -1.623 107.170 108.800 -0.012 0.000 2.317 55 G HA2 0.514 4.474 3.960 -0.000 0.000 0.293 55 G HA3 0.514 4.474 3.960 -0.000 0.000 0.293 55 G C -0.930 173.963 174.900 -0.013 0.000 1.287 55 G CA -0.549 44.540 45.100 -0.019 0.000 0.850 55 G HN 0.833 nan 8.290 nan 0.000 0.515 56 L N 2.295 123.509 121.223 -0.014 0.000 2.326 56 L HA 0.415 4.755 4.340 -0.000 0.000 0.278 56 L C -1.690 175.177 176.870 -0.005 0.000 1.092 56 L CA -1.684 53.153 54.840 -0.006 0.000 0.810 56 L CB 1.692 43.748 42.059 -0.005 0.000 1.153 56 L HN 0.326 nan 8.230 nan 0.000 0.439 57 P HA 0.095 nan 4.420 nan 0.000 0.276 57 P C -0.799 176.504 177.300 0.004 0.000 1.230 57 P CA -0.453 62.649 63.100 0.004 0.000 0.776 57 P CB 0.958 32.663 31.700 0.009 0.000 0.888 58 M N 1.908 121.509 119.600 0.002 0.000 2.243 58 M HA 0.239 4.719 4.480 -0.000 0.000 0.341 58 M C 1.627 177.931 176.300 0.008 0.000 1.130 58 M CA 0.664 55.965 55.300 0.001 0.000 1.162 58 M CB -0.564 32.034 32.600 -0.003 0.000 1.497 58 M HN 0.842 nan 8.290 nan 0.000 0.456 59 G N 2.077 110.881 108.800 0.008 0.000 2.159 59 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.256 59 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.256 59 G C 0.188 175.106 174.900 0.029 0.000 0.977 59 G CA -0.136 44.974 45.100 0.016 0.000 0.652 59 G HN 0.541 nan 8.290 nan 0.000 0.531 60 R N -0.731 119.787 120.500 0.031 0.000 2.912 60 R HA 0.746 5.086 4.340 -0.000 0.000 0.262 60 R C 0.015 176.349 176.300 0.058 0.000 1.057 60 R CA -1.102 55.031 56.100 0.054 0.000 0.981 60 R CB 0.860 31.191 30.300 0.052 0.000 1.201 60 R HN 0.204 nan 8.270 nan 0.000 0.484 61 I N 0.927 121.557 120.570 0.100 0.000 2.385 61 I HA 0.333 4.503 4.170 -0.000 0.000 0.294 61 I C -0.190 176.005 176.117 0.130 0.000 0.988 61 I CA -0.812 60.565 61.300 0.128 0.000 1.265 61 I CB 1.673 39.812 38.000 0.232 0.000 1.388 61 I HN -0.021 nan 8.210 nan 0.000 0.480 62 V N 5.454 125.442 119.914 0.124 0.000 2.735 62 V HA 0.375 4.495 4.120 -0.000 0.000 0.310 62 V C -0.386 175.817 176.094 0.183 0.000 1.061 62 V CA -0.669 61.701 62.300 0.117 0.000 0.913 62 V CB 2.058 33.920 31.823 0.066 0.000 1.005 62 V HN 0.731 nan 8.190 nan 0.000 0.428 63 E N 3.748 124.056 120.200 0.180 0.000 2.187 63 E HA 0.638 4.988 4.350 -0.000 0.000 0.268 63 E C -1.604 175.106 176.600 0.183 0.000 0.896 63 E CA -0.608 55.927 56.400 0.225 0.000 0.766 63 E CB 1.732 31.566 29.700 0.223 0.000 1.142 63 E HN 0.634 nan 8.360 nan 0.000 0.408 64 I N 5.688 126.365 120.570 0.178 0.000 2.410 64 I HA 0.317 4.487 4.170 -0.000 0.000 0.286 64 I C -1.079 175.134 176.117 0.160 0.000 1.009 64 I CA -0.949 60.410 61.300 0.098 0.000 1.111 64 I CB 0.821 38.869 38.000 0.080 0.000 1.262 64 I HN 0.497 nan 8.210 nan 0.000 0.443 65 Y N 4.146 124.481 120.300 0.058 0.000 2.536 65 Y HA 0.996 5.546 4.550 -0.001 0.000 0.347 65 Y C -0.147 175.778 175.900 0.042 0.000 1.000 65 Y CA -1.157 56.971 58.100 0.047 0.000 1.051 65 Y CB 2.008 40.486 38.460 0.031 0.000 1.259 65 Y HN 0.631 nan 8.280 nan 0.000 0.468 66 G N 0.957 109.891 108.800 0.224 0.000 2.328 66 G HA2 0.448 4.408 3.960 -0.000 0.000 0.295 66 G HA3 0.448 4.408 3.960 -0.000 0.000 0.295 66 G C -3.544 171.425 174.900 0.114 0.000 1.413 66 G CA -1.420 43.758 45.100 0.130 0.000 0.817 66 G HN 0.482 nan 8.290 nan 0.000 0.546 67 P HA 0.230 nan 4.420 nan 0.000 0.270 67 P C 0.139 177.472 177.300 0.056 0.000 1.227 67 P CA -0.205 62.931 63.100 0.061 0.000 0.788 67 P CB 0.334 32.061 31.700 0.045 0.000 0.926 68 E N -0.029 120.200 120.200 0.047 0.000 2.398 68 E HA 0.170 4.520 4.350 -0.000 0.000 0.263 68 E C -0.376 176.248 176.600 0.040 0.000 1.046 68 E CA -0.375 56.051 56.400 0.044 0.000 0.908 68 E CB -0.283 29.437 29.700 0.034 0.000 0.963 68 E HN 0.333 nan 8.360 nan 0.000 0.431 69 S N 0.649 116.375 115.700 0.045 0.000 3.586 69 S HA -0.235 4.235 4.470 -0.000 0.000 0.309 69 S C 0.900 175.529 174.600 0.050 0.000 1.195 69 S CA 1.000 59.227 58.200 0.046 0.000 0.895 69 S CB -2.342 60.879 63.200 0.035 0.000 0.983 69 S HN 0.790 nan 8.310 nan 0.000 0.563 70 S N 0.098 115.827 115.700 0.048 0.000 2.501 70 S HA 0.449 4.919 4.470 -0.000 0.000 0.220 70 S C 1.720 176.345 174.600 0.041 0.000 0.997 70 S CA 0.838 59.057 58.200 0.032 0.000 0.919 70 S CB 0.381 63.596 63.200 0.026 0.000 0.778 70 S HN 2.078 nan 8.310 nan 0.000 0.523 71 G N 2.259 111.106 108.800 0.078 0.000 2.192 71 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.193 71 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.193 71 G C 0.755 175.736 174.900 0.136 0.000 0.999 71 G CA 0.154 45.327 45.100 0.121 0.000 0.659 71 G HN 0.638 nan 8.290 nan 0.000 0.503 72 K N 0.156 120.620 120.400 0.107 0.000 2.280 72 K HA 0.009 4.329 4.320 -0.000 0.000 0.202 72 K C 2.004 178.675 176.600 0.118 0.000 1.047 72 K CA 1.784 58.135 56.287 0.106 0.000 0.942 72 K CB -0.452 32.104 32.500 0.092 0.000 0.739 72 K HN 0.263 nan 8.250 nan 0.000 0.457 73 T N 1.457 116.088 114.554 0.129 0.000 2.668 73 T HA -0.116 4.234 4.350 -0.000 0.000 0.262 73 T C 1.914 176.703 174.700 0.147 0.000 1.045 73 T CA 1.974 64.159 62.100 0.141 0.000 1.152 73 T CB -0.596 68.363 68.868 0.153 0.000 0.864 73 T HN 0.336 nan 8.240 nan 0.000 0.419 74 T N 2.636 117.311 114.554 0.202 0.000 2.665 74 T HA -0.053 4.297 4.350 -0.000 0.000 0.268 74 T C 1.948 176.698 174.700 0.082 0.000 1.035 74 T CA 0.936 63.149 62.100 0.188 0.000 1.151 74 T CB -0.588 68.438 68.868 0.263 0.000 0.862 74 T HN 0.159 nan 8.240 nan 0.000 0.438 75 L N 0.413 121.697 121.223 0.101 0.000 2.012 75 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 75 L C 2.838 179.723 176.870 0.024 0.000 1.073 75 L CA 1.562 56.436 54.840 0.057 0.000 0.748 75 L CB -0.787 41.329 42.059 0.096 0.000 0.891 75 L HN 0.322 nan 8.230 nan 0.000 0.431 76 T N 0.200 114.784 114.554 0.049 0.000 2.684 76 T HA -0.209 4.140 4.350 -0.000 0.000 0.267 76 T C 1.881 176.578 174.700 -0.005 0.000 1.036 76 T CA 1.375 63.500 62.100 0.040 0.000 1.148 76 T CB -0.238 68.681 68.868 0.086 0.000 0.863 76 T HN 0.229 nan 8.240 nan 0.000 0.436 77 L N 0.689 121.895 121.223 -0.030 0.000 2.141 77 L HA -0.088 4.252 4.340 -0.000 0.000 0.209 77 L C 2.925 179.728 176.870 -0.110 0.000 1.094 77 L CA 1.149 55.931 54.840 -0.097 0.000 0.763 77 L CB -0.542 41.434 42.059 -0.138 0.000 0.908 77 L HN 0.298 nan 8.230 nan 0.000 0.437 78 Q N -0.486 119.256 119.800 -0.096 0.000 2.123 78 Q HA -0.161 4.179 4.340 -0.000 0.000 0.199 78 Q C 2.395 178.336 176.000 -0.098 0.000 0.966 78 Q CA 1.760 57.495 55.803 -0.113 0.000 0.845 78 Q CB -0.138 28.531 28.738 -0.115 0.000 0.907 78 Q HN 0.556 nan 8.270 nan 0.000 0.439 79 V N -1.020 118.852 119.914 -0.069 0.000 2.719 79 V HA -0.131 3.989 4.120 -0.000 0.000 0.252 79 V C 1.854 177.913 176.094 -0.058 0.000 1.065 79 V CA 0.979 63.242 62.300 -0.061 0.000 1.086 79 V CB -0.365 31.435 31.823 -0.038 0.000 0.700 79 V HN 0.222 nan 8.190 nan 0.000 0.467 80 I N 1.142 121.678 120.570 -0.057 0.000 2.202 80 I HA -0.106 4.064 4.170 -0.000 0.000 0.242 80 I C 2.958 179.030 176.117 -0.075 0.000 1.091 80 I CA 1.568 62.833 61.300 -0.057 0.000 1.368 80 I CB -0.708 37.253 38.000 -0.065 0.000 1.058 80 I HN 0.404 nan 8.210 nan 0.000 0.410 81 A N 0.821 123.583 122.820 -0.096 0.000 1.908 81 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 81 A C 2.528 180.054 177.584 -0.097 0.000 1.181 81 A CA 2.050 54.025 52.037 -0.103 0.000 0.627 81 A CB -0.857 18.067 19.000 -0.126 0.000 0.818 81 A HN 0.449 nan 8.150 nan 0.000 0.445 82 A N -0.241 122.519 122.820 -0.100 0.000 1.877 82 A HA 0.174 4.494 4.320 -0.000 0.000 0.216 82 A C 2.532 180.070 177.584 -0.077 0.000 1.186 82 A CA 2.142 54.119 52.037 -0.099 0.000 0.620 82 A CB -1.069 17.870 19.000 -0.103 0.000 0.822 82 A HN 1.078 nan 8.150 nan 0.000 0.443 83 A N -0.859 121.923 122.820 -0.063 0.000 1.902 83 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 83 A C 2.147 179.702 177.584 -0.048 0.000 1.181 83 A CA 1.690 53.697 52.037 -0.049 0.000 0.623 83 A CB -0.605 18.371 19.000 -0.039 0.000 0.818 83 A HN 0.642 nan 8.150 nan 0.000 0.443 84 Q N -1.256 118.513 119.800 -0.052 0.000 2.084 84 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 84 Q C 2.355 178.325 176.000 -0.051 0.000 0.978 84 Q CA 1.623 57.397 55.803 -0.048 0.000 0.844 84 Q CB -0.156 28.550 28.738 -0.053 0.000 0.898 84 Q HN 0.576 nan 8.270 nan 0.000 0.426 85 R N 1.228 121.691 120.500 -0.061 0.000 2.117 85 R HA -0.159 4.180 4.340 -0.000 0.000 0.243 85 R C 0.943 177.211 176.300 -0.053 0.000 1.143 85 R CA 1.451 57.513 56.100 -0.063 0.000 0.968 85 R CB 0.083 30.335 30.300 -0.080 0.000 0.863 85 R HN 0.254 nan 8.270 nan 0.000 0.444 86 E N -1.399 118.771 120.200 -0.050 0.000 2.403 86 E HA 0.155 4.505 4.350 -0.000 0.000 0.187 86 E C 0.433 177.013 176.600 -0.034 0.000 1.073 86 E CA 0.369 56.745 56.400 -0.042 0.000 0.888 86 E CB 0.553 30.228 29.700 -0.041 0.000 1.035 86 E HN 0.538 nan 8.360 nan 0.000 0.471 87 G N 2.016 110.796 108.800 -0.033 0.000 2.143 87 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.248 87 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.248 87 G C 0.012 174.897 174.900 -0.025 0.000 0.991 87 G CA -0.033 45.050 45.100 -0.027 0.000 0.689 87 G HN 0.161 nan 8.290 nan 0.000 0.522 88 K N 0.620 121.004 120.400 -0.027 0.000 2.174 88 K HA 0.458 4.778 4.320 -0.000 0.000 0.275 88 K C 0.161 176.749 176.600 -0.020 0.000 1.015 88 K CA -0.281 55.992 56.287 -0.023 0.000 0.933 88 K CB 0.957 33.442 32.500 -0.025 0.000 1.025 88 K HN 0.092 nan 8.250 nan 0.000 0.463 89 T N 2.411 116.955 114.554 -0.016 0.000 2.761 89 T HA 0.148 4.498 4.350 -0.000 0.000 0.296 89 T C -0.156 174.539 174.700 -0.008 0.000 0.934 89 T CA -0.294 61.799 62.100 -0.011 0.000 1.091 89 T CB -0.095 68.768 68.868 -0.009 0.000 0.896 89 T HN 0.507 nan 8.240 nan 0.000 0.515 90 C N 3.232 122.530 119.300 -0.003 0.000 2.435 90 C HA 0.910 5.370 4.460 -0.000 0.000 0.333 90 C C 0.636 175.643 174.990 0.029 0.000 1.202 90 C CA -0.895 58.127 59.018 0.007 0.000 1.830 90 C CB 0.598 28.339 27.740 0.003 0.000 2.326 90 C HN 1.015 nan 8.230 nan 0.000 0.507 91 A N 1.829 124.674 122.820 0.042 0.000 2.374 91 A HA 0.871 5.191 4.320 -0.000 0.000 0.317 91 A C -1.301 176.366 177.584 0.138 0.000 1.094 91 A CA -0.275 51.801 52.037 0.066 0.000 0.765 91 A CB 0.970 19.981 19.000 0.018 0.000 1.268 91 A HN 0.820 nan 8.150 nan 0.000 0.438 92 F N 3.614 123.552 119.950 -0.019 0.000 2.499 92 F HA 0.602 5.128 4.527 -0.001 0.000 0.333 92 F C -1.195 174.605 175.800 -0.000 0.000 1.138 92 F CA -1.397 56.597 58.000 -0.011 0.000 0.945 92 F CB 1.158 40.157 39.000 -0.001 0.000 1.181 92 F HN 0.330 nan 8.300 nan 0.000 0.435 93 I N 5.042 125.288 120.570 -0.540 0.000 2.328 93 I HA 0.218 4.388 4.170 -0.000 0.000 0.287 93 I C -0.620 175.119 176.117 -0.630 0.000 1.012 93 I CA -0.517 60.532 61.300 -0.419 0.000 1.195 93 I CB 0.924 38.794 38.000 -0.218 0.000 1.350 93 I HN 0.503 nan 8.210 nan 0.000 0.464 94 D N 5.138 125.228 120.400 -0.517 0.000 2.349 94 D HA 0.609 5.249 4.640 -0.000 0.000 0.232 94 D C 0.347 176.599 176.300 -0.079 0.000 1.071 94 D CA -0.324 53.456 54.000 -0.367 0.000 0.832 94 D CB 1.808 42.488 40.800 -0.200 0.000 1.086 94 D HN 0.603 nan 8.370 nan 0.000 0.504 95 A N 3.820 126.582 122.820 -0.097 0.000 2.469 95 A HA 0.145 4.465 4.320 -0.000 0.000 0.245 95 A C 1.370 178.789 177.584 -0.275 0.000 1.221 95 A CA -0.155 51.809 52.037 -0.123 0.000 0.946 95 A CB 0.217 19.166 19.000 -0.084 0.000 1.049 95 A HN 0.481 nan 8.150 nan 0.000 0.529 96 E N -0.136 119.966 120.200 -0.164 0.000 2.166 96 E HA 0.045 4.395 4.350 -0.000 0.000 0.192 96 E C -0.500 176.028 176.600 -0.121 0.000 0.967 96 E CA 0.585 56.901 56.400 -0.140 0.000 0.840 96 E CB -0.310 29.401 29.700 0.017 0.000 0.795 96 E HN 0.777 nan 8.360 nan 0.000 0.470 97 H N -1.097 118.017 119.070 0.074 0.000 2.882 97 H HA -0.162 4.394 4.556 0.000 0.000 0.314 97 H C 0.310 175.689 175.328 0.084 0.000 1.270 97 H CA 0.080 56.176 56.048 0.079 0.000 1.165 97 H CB -1.363 28.429 29.762 0.049 0.000 1.436 97 H HN 0.231 nan 8.280 nan 0.000 0.431 98 A N 0.441 123.390 122.820 0.214 0.000 2.551 98 A HA 0.252 4.572 4.320 -0.000 0.000 0.252 98 A C 0.546 178.211 177.584 0.135 0.000 1.199 98 A CA -0.396 51.730 52.037 0.148 0.000 0.972 98 A CB 0.641 19.711 19.000 0.116 0.000 1.153 98 A HN 0.212 nan 8.150 nan 0.000 0.559 99 L N 1.497 122.818 121.223 0.163 0.000 2.559 99 L HA 0.197 4.537 4.340 -0.000 0.000 0.274 99 L C -0.429 176.468 176.870 0.045 0.000 1.205 99 L CA 0.424 55.302 54.840 0.064 0.000 0.907 99 L CB 0.180 42.229 42.059 -0.016 0.000 1.153 99 L HN 0.224 nan 8.230 nan 0.000 0.490 100 D N 7.412 127.841 120.400 0.049 0.000 2.428 100 D HA 0.278 4.918 4.640 -0.000 0.000 0.221 100 D C -1.775 174.554 176.300 0.049 0.000 1.123 100 D CA -2.114 51.923 54.000 0.062 0.000 0.869 100 D CB 1.405 42.263 40.800 0.096 0.000 1.032 100 D HN 0.413 nan 8.370 nan 0.000 0.506 101 P HA -0.047 nan 4.420 nan 0.000 0.225 101 P C 1.696 179.001 177.300 0.009 0.000 1.156 101 P CA 0.451 63.546 63.100 -0.009 0.000 0.787 101 P CB 0.718 32.410 31.700 -0.013 0.000 0.802 102 I N -1.369 119.226 120.570 0.041 0.000 2.193 102 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 102 I C 2.741 178.916 176.117 0.095 0.000 1.084 102 I CA 1.323 62.655 61.300 0.053 0.000 1.365 102 I CB -0.880 37.153 38.000 0.056 0.000 1.064 102 I HN -0.138 nan 8.210 nan 0.000 0.410 103 Y N 1.963 122.254 120.300 -0.016 0.000 2.181 103 Y HA -0.275 4.276 4.550 0.001 0.000 0.288 103 Y C 2.510 178.395 175.900 -0.024 0.000 1.146 103 Y CA 1.190 59.284 58.100 -0.011 0.000 1.164 103 Y CB -0.649 37.809 38.460 -0.003 0.000 0.982 103 Y HN 0.129 nan 8.280 nan 0.000 0.515 104 A N 0.552 123.322 122.820 -0.085 0.000 1.908 104 A HA -0.233 4.087 4.320 -0.000 0.000 0.218 104 A C 2.376 179.854 177.584 -0.175 0.000 1.181 104 A CA 2.003 53.922 52.037 -0.197 0.000 0.627 104 A CB -0.672 18.245 19.000 -0.139 0.000 0.818 104 A HN 0.534 nan 8.150 nan 0.000 0.445 105 R N -0.428 120.011 120.500 -0.101 0.000 2.096 105 R HA -0.098 4.242 4.340 -0.000 0.000 0.235 105 R C 2.153 178.397 176.300 -0.093 0.000 1.127 105 R CA 1.548 57.599 56.100 -0.083 0.000 0.968 105 R CB -0.257 30.016 30.300 -0.045 0.000 0.861 105 R HN 0.528 nan 8.270 nan 0.000 0.440 106 K N 0.561 120.906 120.400 -0.092 0.000 2.152 106 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 106 K C 1.757 178.268 176.600 -0.149 0.000 1.048 106 K CA 1.076 57.313 56.287 -0.082 0.000 0.933 106 K CB -0.043 32.448 32.500 -0.015 0.000 0.721 106 K HN 0.192 nan 8.250 nan 0.000 0.447 107 L N -0.573 120.490 121.223 -0.266 0.000 2.599 107 L HA 0.104 4.444 4.340 -0.000 0.000 0.230 107 L C 1.057 177.821 176.870 -0.177 0.000 1.141 107 L CA 0.406 55.093 54.840 -0.255 0.000 0.877 107 L CB 0.001 41.839 42.059 -0.369 0.000 1.009 107 L HN 0.458 nan 8.230 nan 0.000 0.447 108 G N -0.083 108.631 108.800 -0.144 0.000 2.148 108 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.203 108 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.203 108 G C 0.085 174.919 174.900 -0.109 0.000 0.993 108 G CA -0.266 44.766 45.100 -0.113 0.000 0.661 108 G HN 0.054 nan 8.290 nan 0.000 0.518 109 V N 1.345 121.185 119.914 -0.123 0.000 2.530 109 V HA 0.416 4.536 4.120 -0.000 0.000 0.282 109 V C 0.455 176.496 176.094 -0.088 0.000 1.048 109 V CA 0.043 62.276 62.300 -0.112 0.000 0.997 109 V CB 1.705 33.445 31.823 -0.138 0.000 0.987 109 V HN 0.356 nan 8.190 nan 0.000 0.477 110 D N 4.764 125.120 120.400 -0.072 0.000 2.453 110 D HA 0.164 4.804 4.640 -0.000 0.000 0.223 110 D C 1.048 177.316 176.300 -0.053 0.000 1.183 110 D CA -0.309 53.658 54.000 -0.056 0.000 0.933 110 D CB 0.449 41.221 40.800 -0.046 0.000 1.038 110 D HN 0.283 nan 8.370 nan 0.000 0.513 111 I N 2.401 122.938 120.570 -0.056 0.000 2.208 111 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 111 I C 1.314 177.412 176.117 -0.031 0.000 1.097 111 I CA 0.999 62.268 61.300 -0.052 0.000 1.363 111 I CB -0.535 37.435 38.000 -0.050 0.000 1.051 111 I HN 0.371 nan 8.210 nan 0.000 0.413 112 D N 0.864 121.249 120.400 -0.025 0.000 2.182 112 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 112 D C 1.573 177.866 176.300 -0.012 0.000 0.986 112 D CA 1.051 55.041 54.000 -0.016 0.000 0.847 112 D CB -0.258 40.532 40.800 -0.016 0.000 0.942 112 D HN 0.362 nan 8.370 nan 0.000 0.467 113 N N -0.058 118.633 118.700 -0.016 0.000 2.230 113 N HA 0.060 4.800 4.740 -0.000 0.000 0.202 113 N C 0.114 175.620 175.510 -0.006 0.000 1.119 113 N CA -0.119 52.925 53.050 -0.011 0.000 0.851 113 N CB 1.145 39.622 38.487 -0.016 0.000 0.990 113 N HN 0.224 nan 8.380 nan 0.000 0.497 114 L N 2.014 123.233 121.223 -0.006 0.000 2.360 114 L HA 0.249 4.589 4.340 -0.000 0.000 0.276 114 L C -0.064 176.827 176.870 0.035 0.000 1.121 114 L CA -0.178 54.667 54.840 0.008 0.000 0.845 114 L CB 0.719 42.772 42.059 -0.010 0.000 1.143 114 L HN -0.111 nan 8.230 nan 0.000 0.452 115 L N 4.531 125.782 121.223 0.048 0.000 2.371 115 L HA 0.272 4.612 4.340 -0.000 0.000 0.272 115 L C -0.144 176.786 176.870 0.101 0.000 1.124 115 L CA -0.094 54.778 54.840 0.053 0.000 0.816 115 L CB 1.400 43.480 42.059 0.035 0.000 1.129 115 L HN 0.645 nan 8.230 nan 0.000 0.448 116 C N 1.775 121.132 119.300 0.094 0.000 2.783 116 C HA 0.712 5.172 4.460 -0.000 0.000 0.312 116 C C -0.445 174.578 174.990 0.055 0.000 1.182 116 C CA -0.329 58.769 59.018 0.132 0.000 1.432 116 C CB 1.653 29.513 27.740 0.201 0.000 1.933 116 C HN 0.827 nan 8.230 nan 0.000 0.473 117 S N 3.535 119.239 115.700 0.008 0.000 2.521 117 S HA 0.542 5.012 4.470 -0.000 0.000 0.295 117 S C -1.164 173.422 174.600 -0.024 0.000 1.098 117 S CA -0.446 57.746 58.200 -0.012 0.000 0.999 117 S CB 1.712 64.895 63.200 -0.029 0.000 1.034 117 S HN 0.797 nan 8.310 nan 0.000 0.483 118 Q N 2.034 121.836 119.800 0.003 0.000 2.644 118 Q HA 0.301 4.641 4.340 -0.000 0.000 0.245 118 Q C -2.544 173.481 176.000 0.041 0.000 1.064 118 Q CA -1.732 54.093 55.803 0.038 0.000 0.860 118 Q CB 0.620 29.364 28.738 0.010 0.000 1.145 118 Q HN 0.356 nan 8.270 nan 0.000 0.515 119 P HA -0.003 nan 4.420 nan 0.000 0.269 119 P C 0.019 177.340 177.300 0.035 0.000 1.215 119 P CA -0.176 62.935 63.100 0.018 0.000 0.780 119 P CB 0.899 32.600 31.700 0.002 0.000 0.898 120 D N -0.807 119.607 120.400 0.023 0.000 2.194 120 D HA -0.020 4.620 4.640 -0.000 0.000 0.204 120 D C 0.821 177.133 176.300 0.020 0.000 0.964 120 D CA 1.353 55.368 54.000 0.025 0.000 0.846 120 D CB 0.030 40.840 40.800 0.016 0.000 0.962 120 D HN 0.528 nan 8.370 nan 0.000 0.490 121 T N -4.677 109.884 114.554 0.013 0.000 2.841 121 T HA 0.511 4.861 4.350 -0.000 0.000 0.296 121 T C 1.274 175.977 174.700 0.005 0.000 1.166 121 T CA -0.402 61.703 62.100 0.008 0.000 1.007 121 T CB 1.615 70.486 68.868 0.005 0.000 1.253 121 T HN -0.106 nan 8.240 nan 0.000 0.511 122 G N 0.200 109.001 108.800 0.002 0.000 2.442 122 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.219 122 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.219 122 G C 1.002 175.907 174.900 0.008 0.000 1.141 122 G CA 0.941 46.043 45.100 0.003 0.000 0.763 122 G HN 0.797 nan 8.290 nan 0.000 0.554 123 E N -0.119 120.083 120.200 0.004 0.000 2.106 123 E HA -0.058 4.292 4.350 -0.000 0.000 0.192 123 E C 2.395 178.998 176.600 0.005 0.000 0.984 123 E CA 0.982 57.384 56.400 0.004 0.000 0.806 123 E CB -0.253 29.447 29.700 0.000 0.000 0.750 123 E HN 0.604 nan 8.360 nan 0.000 0.458 124 Q N 0.215 120.017 119.800 0.004 0.000 2.119 124 Q HA -0.141 4.199 4.340 -0.000 0.000 0.201 124 Q C 2.062 178.063 176.000 0.002 0.000 0.972 124 Q CA 1.312 57.116 55.803 0.003 0.000 0.847 124 Q CB -0.126 28.613 28.738 0.003 0.000 0.903 124 Q HN 0.299 nan 8.270 nan 0.000 0.433 125 A N 0.958 123.780 122.820 0.004 0.000 1.865 125 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 125 A C 2.035 179.626 177.584 0.010 0.000 1.191 125 A CA 1.462 53.500 52.037 0.002 0.000 0.623 125 A CB -0.838 18.167 19.000 0.009 0.000 0.826 125 A HN 0.456 nan 8.150 nan 0.000 0.444 126 L N -0.899 120.341 121.223 0.028 0.000 2.093 126 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 126 L C 2.603 179.481 176.870 0.014 0.000 1.085 126 L CA 1.509 56.372 54.840 0.039 0.000 0.755 126 L CB -0.545 41.540 42.059 0.044 0.000 0.904 126 L HN 0.482 nan 8.230 nan 0.000 0.435 127 E N 0.255 120.458 120.200 0.005 0.000 2.077 127 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 127 E C 2.301 178.898 176.600 -0.005 0.000 0.989 127 E CA 1.169 57.569 56.400 -0.001 0.000 0.800 127 E CB -0.056 29.644 29.700 -0.001 0.000 0.746 127 E HN 0.484 nan 8.360 nan 0.000 0.452 128 I N 0.634 121.199 120.570 -0.008 0.000 2.202 128 I HA -0.311 3.859 4.170 -0.000 0.000 0.242 128 I C 2.480 178.584 176.117 -0.022 0.000 1.091 128 I CA 0.621 61.912 61.300 -0.014 0.000 1.368 128 I CB -0.288 37.701 38.000 -0.017 0.000 1.058 128 I HN 0.254 nan 8.210 nan 0.000 0.410 129 C N 0.529 119.812 119.300 -0.027 0.000 2.413 129 C HA -0.232 4.228 4.460 -0.000 0.000 0.276 129 C C 2.586 177.557 174.990 -0.032 0.000 1.236 129 C CA 1.442 60.434 59.018 -0.044 0.000 1.735 129 C CB -1.019 26.689 27.740 -0.055 0.000 2.031 129 C HN 0.552 nan 8.230 nan 0.000 0.474 130 D N 0.391 120.781 120.400 -0.017 0.000 2.117 130 D HA -0.070 4.570 4.640 -0.000 0.000 0.198 130 D C 2.185 178.478 176.300 -0.012 0.000 0.982 130 D CA 1.569 55.561 54.000 -0.013 0.000 0.828 130 D CB -0.204 40.592 40.800 -0.007 0.000 0.967 130 D HN 0.392 nan 8.370 nan 0.000 0.464 131 A N 0.062 122.875 122.820 -0.011 0.000 1.908 131 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 131 A C 2.393 179.970 177.584 -0.011 0.000 1.181 131 A CA 1.112 53.143 52.037 -0.009 0.000 0.627 131 A CB -0.803 18.192 19.000 -0.008 0.000 0.818 131 A HN 0.361 nan 8.150 nan 0.000 0.445 132 L N -1.040 120.173 121.223 -0.016 0.000 2.093 132 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 132 L C 3.107 179.967 176.870 -0.018 0.000 1.085 132 L CA 0.862 55.691 54.840 -0.017 0.000 0.755 132 L CB -0.593 41.452 42.059 -0.023 0.000 0.904 132 L HN 0.445 nan 8.230 nan 0.000 0.435 133 A N 0.545 123.352 122.820 -0.021 0.000 1.865 133 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 133 A C 2.343 179.921 177.584 -0.010 0.000 1.191 133 A CA 1.575 53.601 52.037 -0.018 0.000 0.623 133 A CB -0.548 18.441 19.000 -0.019 0.000 0.826 133 A HN 0.325 nan 8.150 nan 0.000 0.444 134 R N 0.426 120.921 120.500 -0.008 0.000 2.200 134 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 134 R C 2.423 178.721 176.300 -0.004 0.000 1.127 134 R CA 1.410 57.508 56.100 -0.004 0.000 0.989 134 R CB -0.475 29.823 30.300 -0.003 0.000 0.869 134 R HN 0.753 nan 8.270 nan 0.000 0.459 135 S N -0.400 115.297 115.700 -0.006 0.000 2.423 135 S HA -0.050 4.420 4.470 -0.000 0.000 0.231 135 S C 1.758 176.355 174.600 -0.004 0.000 1.014 135 S CA 0.944 59.141 58.200 -0.005 0.000 0.965 135 S CB -0.151 63.046 63.200 -0.006 0.000 0.785 135 S HN 0.519 nan 8.310 nan 0.000 0.495 136 G N 0.729 109.526 108.800 -0.005 0.000 2.184 136 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.264 136 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.264 136 G C 0.714 175.611 174.900 -0.006 0.000 0.975 136 G CA 0.213 45.311 45.100 -0.004 0.000 0.642 136 G HN 1.505 nan 8.290 nan 0.000 0.536 137 A N -0.835 121.981 122.820 -0.006 0.000 2.390 137 A HA 0.714 5.034 4.320 -0.000 0.000 0.232 137 A C 0.654 178.233 177.584 -0.008 0.000 1.233 137 A CA 0.953 52.986 52.037 -0.007 0.000 0.907 137 A CB 0.701 19.697 19.000 -0.006 0.000 0.967 137 A HN 0.967 nan 8.150 nan 0.000 0.512 138 V N 0.601 120.509 119.914 -0.010 0.000 2.495 138 V HA 0.257 4.377 4.120 -0.000 0.000 0.298 138 V C -0.031 176.054 176.094 -0.014 0.000 1.031 138 V CA -0.567 61.726 62.300 -0.011 0.000 0.871 138 V CB 1.783 33.598 31.823 -0.013 0.000 0.988 138 V HN 0.411 nan 8.190 nan 0.000 0.432 139 D N 1.925 122.316 120.400 -0.014 0.000 2.369 139 D HA 0.080 4.720 4.640 -0.000 0.000 0.231 139 D C 0.404 176.693 176.300 -0.019 0.000 0.967 139 D CA 1.238 55.228 54.000 -0.016 0.000 0.905 139 D CB 1.487 42.278 40.800 -0.016 0.000 1.044 139 D HN 0.421 nan 8.370 nan 0.000 0.487 140 V N 0.455 120.358 119.914 -0.019 0.000 2.709 140 V HA 0.519 4.639 4.120 -0.000 0.000 0.308 140 V C -1.437 174.644 176.094 -0.022 0.000 1.062 140 V CA -0.774 61.512 62.300 -0.023 0.000 0.901 140 V CB 2.259 34.071 31.823 -0.019 0.000 1.003 140 V HN -0.092 nan 8.190 nan 0.000 0.425 141 I N 5.973 126.514 120.570 -0.047 0.000 2.406 141 I HA 0.556 4.726 4.170 -0.000 0.000 0.290 141 I C -0.640 175.427 176.117 -0.083 0.000 0.999 141 I CA -0.940 60.322 61.300 -0.064 0.000 1.124 141 I CB 2.095 40.030 38.000 -0.108 0.000 1.289 141 I HN 0.434 nan 8.210 nan 0.000 0.441 142 V N 7.181 127.083 119.914 -0.020 0.000 2.417 142 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 142 V C -0.109 175.935 176.094 -0.084 0.000 1.024 142 V CA -0.671 61.631 62.300 0.004 0.000 0.861 142 V CB 2.005 33.941 31.823 0.189 0.000 0.985 142 V HN 0.387 nan 8.190 nan 0.000 0.436 143 V N 3.836 123.668 119.914 -0.137 0.000 2.357 143 V HA 0.409 4.529 4.120 -0.000 0.000 0.284 143 V C -0.543 175.543 176.094 -0.014 0.000 1.018 143 V CA -0.411 61.813 62.300 -0.127 0.000 0.841 143 V CB 1.661 33.425 31.823 -0.099 0.000 0.991 143 V HN 0.901 nan 8.190 nan 0.000 0.437 144 D N 3.869 124.211 120.400 -0.097 0.000 2.461 144 D HA 0.572 5.212 4.640 -0.000 0.000 0.240 144 D C -0.165 176.125 176.300 -0.017 0.000 1.094 144 D CA 0.060 54.064 54.000 0.007 0.000 0.868 144 D CB 1.413 42.266 40.800 0.089 0.000 1.062 144 D HN 0.653 nan 8.370 nan 0.000 0.530 145 S N 1.043 116.754 115.700 0.018 0.000 2.661 145 S HA 0.380 4.850 4.470 -0.000 0.000 0.285 145 S C 1.007 175.648 174.600 0.069 0.000 1.138 145 S CA -0.722 57.520 58.200 0.070 0.000 0.855 145 S CB 1.286 64.524 63.200 0.064 0.000 1.136 145 S HN 0.023 nan 8.310 nan 0.000 0.484 146 V N 1.361 121.328 119.914 0.088 0.000 2.332 146 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 146 V C 3.018 179.103 176.094 -0.015 0.000 1.055 146 V CA 2.516 64.824 62.300 0.013 0.000 1.038 146 V CB -1.718 30.061 31.823 -0.073 0.000 0.651 146 V HN 1.014 nan 8.190 nan 0.000 0.450 147 A N 0.008 122.825 122.820 -0.005 0.000 1.940 147 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 147 A C 2.209 179.783 177.584 -0.018 0.000 1.176 147 A CA 2.107 54.137 52.037 -0.013 0.000 0.631 147 A CB -0.577 18.422 19.000 -0.001 0.000 0.814 147 A HN 0.643 nan 8.150 nan 0.000 0.446 148 A N -1.681 121.128 122.820 -0.017 0.000 2.275 148 A HA 0.451 4.771 4.320 -0.000 0.000 0.212 148 A C 0.567 178.131 177.584 -0.034 0.000 1.201 148 A CA -0.060 51.955 52.037 -0.036 0.000 0.843 148 A CB -0.192 18.773 19.000 -0.059 0.000 0.873 148 A HN 0.289 nan 8.150 nan 0.000 0.492 149 L N 2.353 123.564 121.223 -0.020 0.000 2.399 149 L HA 0.182 4.522 4.340 -0.000 0.000 0.257 149 L C 0.154 177.015 176.870 -0.016 0.000 1.236 149 L CA 0.487 55.319 54.840 -0.013 0.000 1.144 149 L CB -0.672 41.388 42.059 0.002 0.000 1.379 149 L HN 0.112 nan 8.230 nan 0.000 0.414 150 T N 3.569 118.112 114.554 -0.017 0.000 2.888 150 T HA 0.162 4.512 4.350 -0.000 0.000 0.301 150 T C -2.213 172.482 174.700 -0.009 0.000 1.001 150 T CA -0.787 61.304 62.100 -0.014 0.000 1.147 150 T CB 0.367 69.228 68.868 -0.013 0.000 0.931 150 T HN 0.207 nan 8.240 nan 0.000 0.541 151 P HA 0.146 nan 4.420 nan 0.000 0.271 151 P C 0.933 178.230 177.300 -0.004 0.000 1.218 151 P CA -0.543 62.553 63.100 -0.008 0.000 0.780 151 P CB 0.687 32.381 31.700 -0.010 0.000 0.901 152 K N 2.702 123.101 120.400 -0.002 0.000 2.044 152 K HA -0.252 4.068 4.320 -0.000 0.000 0.210 152 K C 1.762 178.362 176.600 -0.001 0.000 1.049 152 K CA 2.030 58.317 56.287 -0.000 0.000 0.927 152 K CB -0.671 31.829 32.500 0.000 0.000 0.713 152 K HN 0.476 nan 8.250 nan 0.000 0.443 153 A N 1.143 123.961 122.820 -0.002 0.000 1.940 153 A HA -0.230 4.089 4.320 -0.000 0.000 0.219 153 A C 1.985 179.567 177.584 -0.002 0.000 1.176 153 A CA 1.901 53.937 52.037 -0.002 0.000 0.631 153 A CB -0.520 18.478 19.000 -0.003 0.000 0.814 153 A HN 0.579 nan 8.150 nan 0.000 0.446 154 E N -0.616 119.582 120.200 -0.004 0.000 2.208 154 E HA -0.072 4.278 4.350 -0.000 0.000 0.193 154 E C 1.812 178.410 176.600 -0.002 0.000 0.988 154 E CA 0.569 56.967 56.400 -0.004 0.000 0.828 154 E CB -0.130 29.566 29.700 -0.006 0.000 0.763 154 E HN 0.694 nan 8.360 nan 0.000 0.478 155 I N 0.815 121.385 120.570 -0.001 0.000 2.202 155 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 155 I C 0.955 177.074 176.117 0.003 0.000 1.091 155 I CA 0.946 62.247 61.300 0.002 0.000 1.368 155 I CB 0.092 38.094 38.000 0.004 0.000 1.058 155 I HN 0.047 nan 8.210 nan 0.000 0.410 166 L N -0.021 121.195 121.223 -0.012 0.000 2.056 166 L HA 0.394 4.734 4.340 -0.000 0.000 0.207 166 L C 2.786 179.647 176.870 -0.016 0.000 1.078 166 L CA 2.212 57.045 54.840 -0.012 0.000 0.749 166 L CB -0.851 41.201 42.059 -0.010 0.000 0.901 166 L HN 0.301 nan 8.230 nan 0.000 0.433 167 A N 0.808 123.615 122.820 -0.021 0.000 1.898 167 A HA 0.018 4.338 4.320 -0.000 0.000 0.216 167 A C 2.582 180.145 177.584 -0.035 0.000 1.181 167 A CA 1.773 53.793 52.037 -0.029 0.000 0.620 167 A CB -0.855 18.125 19.000 -0.034 0.000 0.819 167 A HN 0.572 nan 8.150 nan 0.000 0.442 168 A N -0.396 122.407 122.820 -0.029 0.000 1.902 168 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 168 A C 2.296 179.869 177.584 -0.017 0.000 1.181 168 A CA 1.657 53.679 52.037 -0.025 0.000 0.623 168 A CB -0.525 18.467 19.000 -0.013 0.000 0.818 168 A HN 0.473 nan 8.150 nan 0.000 0.443 169 R N -0.642 119.850 120.500 -0.013 0.000 2.081 169 R HA -0.124 4.216 4.340 -0.000 0.000 0.235 169 R C 2.211 178.502 176.300 -0.015 0.000 1.131 169 R CA 1.782 57.877 56.100 -0.009 0.000 0.960 169 R CB -0.448 29.848 30.300 -0.007 0.000 0.856 169 R HN 0.647 nan 8.270 nan 0.000 0.436 170 M N 0.054 119.641 119.600 -0.020 0.000 2.065 170 M HA -0.235 4.245 4.480 -0.000 0.000 0.259 170 M C 2.012 178.291 176.300 -0.035 0.000 1.069 170 M CA 1.744 57.030 55.300 -0.023 0.000 1.110 170 M CB -0.056 32.530 32.600 -0.023 0.000 1.328 170 M HN 0.117 nan 8.290 nan 0.000 0.405 171 M N -0.287 119.282 119.600 -0.051 0.000 2.086 171 M HA -0.165 4.315 4.480 -0.000 0.000 0.261 171 M C 2.300 178.557 176.300 -0.071 0.000 1.067 171 M CA 1.696 56.947 55.300 -0.082 0.000 1.116 171 M CB -1.431 31.104 32.600 -0.110 0.000 1.348 171 M HN 0.323 nan 8.290 nan 0.000 0.407 172 S N 0.134 115.816 115.700 -0.031 0.000 2.370 172 S HA -0.199 4.271 4.470 -0.000 0.000 0.226 172 S C 1.843 176.428 174.600 -0.024 0.000 1.033 172 S CA 1.263 59.461 58.200 -0.003 0.000 1.011 172 S CB -0.219 62.997 63.200 0.027 0.000 0.852 172 S HN 0.388 nan 8.310 nan 0.000 0.457 173 Q N 1.264 121.049 119.800 -0.025 0.000 2.002 173 Q HA -0.038 4.302 4.340 -0.000 0.000 0.204 173 Q C 2.275 178.249 176.000 -0.044 0.000 0.988 173 Q CA 2.007 57.796 55.803 -0.023 0.000 0.843 173 Q CB -0.638 28.090 28.738 -0.017 0.000 0.908 173 Q HN 0.539 nan 8.270 nan 0.000 0.420 174 A N -0.875 121.913 122.820 -0.053 0.000 1.968 174 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 174 A C 1.969 179.486 177.584 -0.111 0.000 1.169 174 A CA 1.395 53.398 52.037 -0.056 0.000 0.638 174 A CB -0.460 18.526 19.000 -0.025 0.000 0.812 174 A HN 0.413 nan 8.150 nan 0.000 0.446 175 M N -0.211 119.266 119.600 -0.205 0.000 2.108 175 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 175 M C 2.103 178.025 176.300 -0.631 0.000 1.066 175 M CA 1.620 56.652 55.300 -0.447 0.000 1.107 175 M CB -0.597 31.630 32.600 -0.622 0.000 1.356 175 M HN 0.479 nan 8.290 nan 0.000 0.406 176 R N -0.455 119.784 120.500 -0.435 0.000 2.073 176 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 176 R C 2.303 178.570 176.300 -0.055 0.000 1.134 176 R CA 1.756 57.766 56.100 -0.151 0.000 0.952 176 R CB -0.260 30.069 30.300 0.049 0.000 0.850 176 R HN 0.375 nan 8.270 nan 0.000 0.433 177 K N 0.500 120.864 120.400 -0.059 0.000 2.002 177 K HA -0.125 4.195 4.320 -0.000 0.000 0.209 177 K C 2.295 178.881 176.600 -0.023 0.000 1.048 177 K CA 1.224 57.497 56.287 -0.023 0.000 0.930 177 K CB -0.160 32.328 32.500 -0.021 0.000 0.714 177 K HN 0.157 nan 8.250 nan 0.000 0.438 178 L N 0.489 121.685 121.223 -0.045 0.000 1.956 178 L HA -0.270 4.070 4.340 -0.000 0.000 0.216 178 L C 2.585 179.451 176.870 -0.008 0.000 1.073 178 L CA 1.657 56.482 54.840 -0.025 0.000 0.762 178 L CB -0.630 41.420 42.059 -0.015 0.000 0.889 178 L HN 0.349 nan 8.230 nan 0.000 0.433 179 A N -0.126 122.683 122.820 -0.017 0.000 1.917 179 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 179 A C 2.306 179.935 177.584 0.075 0.000 1.182 179 A CA 2.037 54.114 52.037 0.067 0.000 0.633 179 A CB -1.404 17.697 19.000 0.168 0.000 0.819 179 A HN 0.552 nan 8.150 nan 0.000 0.448 180 G N -0.419 108.419 108.800 0.062 0.000 2.421 180 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 180 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 180 G C 1.441 176.362 174.900 0.035 0.000 1.171 180 G CA 1.196 46.329 45.100 0.055 0.000 0.775 180 G HN 0.703 nan 8.290 nan 0.000 0.543 181 N N -0.064 118.650 118.700 0.022 0.000 2.270 181 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 181 N C 2.200 177.716 175.510 0.011 0.000 1.016 181 N CA 0.416 53.473 53.050 0.013 0.000 0.870 181 N CB -0.117 38.372 38.487 0.004 0.000 0.979 181 N HN 0.245 nan 8.380 nan 0.000 0.431 182 L N 0.793 122.024 121.223 0.013 0.000 2.093 182 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 182 L C 2.478 179.358 176.870 0.018 0.000 1.085 182 L CA 0.908 55.753 54.840 0.009 0.000 0.755 182 L CB -0.309 41.756 42.059 0.011 0.000 0.904 182 L HN 0.117 nan 8.230 nan 0.000 0.435 183 K N 0.389 120.808 120.400 0.031 0.000 1.991 183 K HA -0.222 4.098 4.320 -0.000 0.000 0.212 183 K C 2.140 178.754 176.600 0.023 0.000 1.049 183 K CA 1.791 58.099 56.287 0.034 0.000 0.932 183 K CB -0.292 32.236 32.500 0.047 0.000 0.717 183 K HN 0.363 nan 8.250 nan 0.000 0.441 184 Q N -0.122 119.691 119.800 0.021 0.000 2.061 184 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 184 Q C 1.968 177.974 176.000 0.010 0.000 0.984 184 Q CA 2.108 57.920 55.803 0.015 0.000 0.846 184 Q CB -0.040 28.706 28.738 0.014 0.000 0.902 184 Q HN 0.193 nan 8.270 nan 0.000 0.421 185 S N 0.473 116.177 115.700 0.007 0.000 2.522 185 S HA -0.031 4.439 4.470 -0.000 0.000 0.227 185 S C 0.423 175.024 174.600 0.001 0.000 0.986 185 S CA 0.409 58.611 58.200 0.002 0.000 0.929 185 S CB -0.038 63.161 63.200 -0.001 0.000 0.769 185 S HN 0.471 nan 8.310 nan 0.000 0.529 186 N N 1.518 120.220 118.700 0.004 0.000 2.758 186 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 186 N C -1.187 174.322 175.510 -0.002 0.000 1.076 186 N CA 0.812 53.864 53.050 0.003 0.000 0.696 186 N CB -1.703 36.785 38.487 0.002 0.000 0.979 186 N HN 0.235 nan 8.380 nan 0.000 0.550 187 T N 0.936 115.487 114.554 -0.005 0.000 2.799 187 T HA 0.441 4.791 4.350 -0.000 0.000 0.286 187 T C 0.210 174.901 174.700 -0.016 0.000 0.973 187 T CA -0.622 61.470 62.100 -0.014 0.000 1.035 187 T CB 1.329 70.185 68.868 -0.020 0.000 0.932 187 T HN 0.303 nan 8.240 nan 0.000 0.469 188 L N 4.694 125.904 121.223 -0.021 0.000 2.319 188 L HA 0.593 4.933 4.340 -0.000 0.000 0.280 188 L C -0.888 175.952 176.870 -0.051 0.000 1.099 188 L CA -0.258 54.568 54.840 -0.023 0.000 0.828 188 L CB 0.286 42.334 42.059 -0.018 0.000 1.150 188 L HN 0.619 nan 8.230 nan 0.000 0.442 189 L N 6.306 127.486 121.223 -0.071 0.000 2.333 189 L HA 0.601 4.941 4.340 -0.000 0.000 0.280 189 L C -0.976 175.793 176.870 -0.168 0.000 1.004 189 L CA -0.341 54.400 54.840 -0.166 0.000 0.820 189 L CB 1.313 43.222 42.059 -0.249 0.000 1.247 189 L HN 0.647 nan 8.230 nan 0.000 0.416 190 I N 4.470 124.928 120.570 -0.187 0.000 2.389 190 I HA 0.315 4.484 4.170 -0.000 0.000 0.288 190 I C -1.050 174.988 176.117 -0.132 0.000 0.999 190 I CA -0.336 60.916 61.300 -0.081 0.000 1.129 190 I CB 1.462 39.458 38.000 -0.006 0.000 1.288 190 I HN 0.394 nan 8.210 nan 0.000 0.444 191 F N 6.488 126.465 119.950 0.046 0.000 2.404 191 F HA 0.485 5.012 4.527 -0.000 0.000 0.354 191 F C 0.371 176.209 175.800 0.063 0.000 1.122 191 F CA -0.440 57.586 58.000 0.043 0.000 1.080 191 F CB 1.058 40.081 39.000 0.038 0.000 1.131 191 F HN 0.193 nan 8.300 nan 0.000 0.471 192 I N 3.873 124.592 120.570 0.249 0.000 2.396 192 I HA 0.246 4.416 4.170 -0.000 0.000 0.292 192 I C -0.013 176.209 176.117 0.175 0.000 0.999 192 I CA -0.259 61.153 61.300 0.188 0.000 1.310 192 I CB 1.051 39.144 38.000 0.155 0.000 1.404 192 I HN 0.568 nan 8.210 nan 0.000 0.496 193 N N 4.045 122.847 118.700 0.170 0.000 2.571 193 N HA 0.370 5.110 4.740 -0.000 0.000 0.273 193 N C -1.260 174.333 175.510 0.138 0.000 1.340 193 N CA -0.529 52.599 53.050 0.131 0.000 0.789 193 N CB 2.179 40.735 38.487 0.116 0.000 1.514 193 N HN 0.439 nan 8.380 nan 0.000 0.499 211 G N 1.279 110.021 108.800 -0.098 0.000 2.687 211 G HA2 0.182 4.142 3.960 -0.000 0.000 0.303 211 G HA3 0.182 4.142 3.960 -0.000 0.000 0.303 211 G C 0.502 175.363 174.900 -0.066 0.000 1.209 211 G CA 0.802 45.842 45.100 -0.100 0.000 0.968 211 G HN 1.637 nan 8.290 nan 0.000 0.549 212 G N -1.902 106.863 108.800 -0.058 0.000 2.539 212 G HA2 0.434 4.393 3.960 -0.000 0.000 0.138 212 G HA3 0.434 4.393 3.960 -0.000 0.000 0.138 212 G C 0.359 175.264 174.900 0.009 0.000 1.148 212 G CA 0.855 45.942 45.100 -0.021 0.000 1.057 212 G HN 0.862 nan 8.290 nan 0.000 0.511 213 N N 0.717 119.468 118.700 0.085 0.000 2.396 213 N HA 0.002 4.742 4.740 -0.000 0.000 0.180 213 N C 2.329 178.018 175.510 0.298 0.000 1.028 213 N CA 1.243 54.424 53.050 0.218 0.000 0.893 213 N CB -0.141 38.551 38.487 0.341 0.000 0.967 213 N HN 0.557 nan 8.380 nan 0.000 0.440 214 A N 1.219 124.159 122.820 0.201 0.000 1.865 214 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 214 A C 2.189 179.946 177.584 0.288 0.000 1.191 214 A CA 1.113 53.316 52.037 0.277 0.000 0.623 214 A CB -0.729 18.345 19.000 0.122 0.000 0.826 214 A HN 0.216 nan 8.150 nan 0.000 0.444 215 L N -0.027 121.242 121.223 0.076 0.000 2.056 215 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 215 L C 2.324 179.222 176.870 0.046 0.000 1.078 215 L CA 2.550 57.402 54.840 0.020 0.000 0.749 215 L CB -0.673 41.292 42.059 -0.156 0.000 0.901 215 L HN 0.508 nan 8.230 nan 0.000 0.433 216 K N -1.364 119.011 120.400 -0.041 0.000 2.103 216 K HA -0.229 4.091 4.320 -0.000 0.000 0.207 216 K C 1.911 178.320 176.600 -0.318 0.000 1.048 216 K CA 2.024 58.186 56.287 -0.208 0.000 0.930 216 K CB -0.267 32.026 32.500 -0.345 0.000 0.716 216 K HN 0.321 nan 8.250 nan 0.000 0.444 217 F N -1.104 118.856 119.950 0.016 0.000 2.619 217 F HA 0.067 4.594 4.527 -0.000 0.000 0.293 217 F C 1.505 177.237 175.800 -0.114 0.000 1.119 217 F CA 0.309 58.271 58.000 -0.063 0.000 1.445 217 F CB -0.016 38.911 39.000 -0.122 0.000 1.119 217 F HN -0.013 nan 8.300 nan 0.000 0.573 218 Y N 0.258 120.650 120.300 0.153 0.000 2.420 218 Y HA 0.314 4.863 4.550 -0.001 0.000 0.292 218 Y C 1.655 177.611 175.900 0.094 0.000 1.119 218 Y CA -0.049 58.121 58.100 0.117 0.000 1.229 218 Y CB -0.572 37.953 38.460 0.107 0.000 1.026 218 Y HN -0.141 nan 8.280 nan 0.000 0.554 219 A N -0.140 122.805 122.820 0.208 0.000 2.520 219 A HA 0.121 4.441 4.320 -0.000 0.000 0.245 219 A C 1.324 178.964 177.584 0.094 0.000 1.072 219 A CA 0.502 52.631 52.037 0.153 0.000 0.761 219 A CB 0.130 19.202 19.000 0.120 0.000 1.004 219 A HN 0.336 nan 8.150 nan 0.000 0.499 220 S N 0.675 116.426 115.700 0.086 0.000 2.470 220 S HA 0.143 4.613 4.470 -0.000 0.000 0.225 220 S C 0.411 175.024 174.600 0.022 0.000 1.006 220 S CA 0.612 58.840 58.200 0.047 0.000 0.934 220 S CB 0.012 63.240 63.200 0.048 0.000 0.778 220 S HN 0.568 nan 8.310 nan 0.000 0.517 221 V N 2.025 121.960 119.914 0.034 0.000 2.760 221 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 221 V C -0.807 175.311 176.094 0.040 0.000 1.077 221 V CA -0.837 61.472 62.300 0.016 0.000 0.910 221 V CB 2.128 33.960 31.823 0.014 0.000 1.008 221 V HN 0.115 nan 8.190 nan 0.000 0.424 222 R N 4.051 124.570 120.500 0.033 0.000 2.513 222 R HA 0.643 4.982 4.340 -0.000 0.000 0.301 222 R C -1.908 174.403 176.300 0.018 0.000 0.968 222 R CA -0.887 55.263 56.100 0.083 0.000 0.872 222 R CB 2.283 32.669 30.300 0.144 0.000 1.177 222 R HN 0.364 nan 8.270 nan 0.000 0.444 223 L N 2.567 123.761 121.223 -0.048 0.000 2.305 223 L HA 0.290 4.630 4.340 -0.000 0.000 0.284 223 L C -0.197 176.390 176.870 -0.472 0.000 1.013 223 L CA -0.408 54.340 54.840 -0.153 0.000 0.819 223 L CB 1.398 43.417 42.059 -0.065 0.000 1.227 223 L HN 0.470 nan 8.230 nan 0.000 0.417 224 D N 4.607 124.709 120.400 -0.498 0.000 2.329 224 D HA 0.311 4.951 4.640 -0.000 0.000 0.232 224 D C -0.903 175.212 176.300 -0.308 0.000 1.088 224 D CA -0.167 53.413 54.000 -0.701 0.000 0.835 224 D CB 1.174 41.737 40.800 -0.395 0.000 1.078 224 D HN 0.470 nan 8.370 nan 0.000 0.495 225 I N 3.441 123.868 120.570 -0.239 0.000 2.465 225 I HA 0.490 4.660 4.170 -0.000 0.000 0.291 225 I C -1.057 175.016 176.117 -0.073 0.000 1.014 225 I CA -0.709 60.524 61.300 -0.111 0.000 1.093 225 I CB 1.046 39.018 38.000 -0.046 0.000 1.267 225 I HN 0.282 nan 8.210 nan 0.000 0.431 226 R N 5.703 126.156 120.500 -0.077 0.000 2.698 226 R HA 0.434 4.774 4.340 -0.000 0.000 0.275 226 R C -1.088 175.166 176.300 -0.077 0.000 1.001 226 R CA -1.013 55.056 56.100 -0.052 0.000 0.896 226 R CB 2.291 32.568 30.300 -0.039 0.000 1.218 226 R HN 0.564 nan 8.270 nan 0.000 0.462 227 R N 3.625 124.096 120.500 -0.048 0.000 2.267 227 R HA 0.192 4.532 4.340 -0.000 0.000 0.319 227 R C 0.725 176.993 176.300 -0.053 0.000 1.067 227 R CA -0.045 56.022 56.100 -0.055 0.000 0.936 227 R CB 0.420 30.710 30.300 -0.017 0.000 1.006 227 R HN 0.781 nan 8.270 nan 0.000 0.452 228 I N 0.959 121.486 120.570 -0.073 0.000 3.976 228 I HA 0.478 4.648 4.170 -0.000 0.000 0.337 228 I C 0.342 176.432 176.117 -0.045 0.000 1.359 228 I CA -0.241 61.026 61.300 -0.056 0.000 1.098 228 I CB 0.683 38.644 38.000 -0.066 0.000 1.027 228 I HN 0.690 nan 8.210 nan 0.000 0.394 229 G N 1.002 109.776 108.800 -0.044 0.000 2.315 229 G HA2 0.590 4.549 3.960 -0.000 0.000 0.294 229 G HA3 0.590 4.549 3.960 -0.000 0.000 0.294 229 G C -2.040 172.839 174.900 -0.036 0.000 1.300 229 G CA -0.190 44.890 45.100 -0.034 0.000 0.843 229 G HN 0.360 nan 8.290 nan 0.000 0.527 230 A N -0.891 121.911 122.820 -0.029 0.000 2.355 230 A HA 0.848 5.168 4.320 -0.000 0.000 0.324 230 A C -0.506 177.045 177.584 -0.054 0.000 1.117 230 A CA -0.606 51.409 52.037 -0.036 0.000 0.785 230 A CB 1.872 20.872 19.000 0.000 0.000 1.254 230 A HN 1.534 nan 8.150 nan 0.000 0.453 231 V N 2.237 122.096 119.914 -0.093 0.000 2.427 231 V HA 0.444 4.564 4.120 -0.000 0.000 0.286 231 V C 0.022 176.078 176.094 -0.064 0.000 1.034 231 V CA -0.384 61.867 62.300 -0.082 0.000 0.893 231 V CB 1.278 33.034 31.823 -0.112 0.000 0.982 231 V HN 0.889 nan 8.190 nan 0.000 0.452 232 K N 3.090 123.469 120.400 -0.034 0.000 2.426 232 K HA 0.591 4.911 4.320 -0.000 0.000 0.251 232 K C -1.228 175.366 176.600 -0.010 0.000 0.941 232 K CA -0.909 55.370 56.287 -0.014 0.000 0.808 232 K CB 2.524 35.023 32.500 -0.002 0.000 1.265 232 K HN 0.515 nan 8.250 nan 0.000 0.432 233 E N 1.485 121.685 120.200 -0.000 0.000 2.114 233 E HA 0.298 4.648 4.350 -0.000 0.000 0.266 233 E C 0.565 177.169 176.600 0.007 0.000 0.896 233 E CA -0.163 56.238 56.400 0.002 0.000 0.750 233 E CB 1.426 31.130 29.700 0.006 0.000 1.121 233 E HN 0.877 nan 8.360 nan 0.000 0.413 234 G N 4.132 112.934 108.800 0.003 0.000 2.557 234 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.292 234 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.292 234 G C 0.233 175.137 174.900 0.006 0.000 1.162 234 G CA 0.249 45.352 45.100 0.005 0.000 0.964 234 G HN 0.480 nan 8.290 nan 0.000 0.541 235 E N 2.181 122.387 120.200 0.011 0.000 4.044 235 E HA 0.277 4.627 4.350 -0.000 0.000 0.216 235 E C -0.547 176.065 176.600 0.020 0.000 1.104 235 E CA -0.186 56.221 56.400 0.013 0.000 1.383 235 E CB -0.732 28.974 29.700 0.010 0.000 1.195 235 E HN 0.462 nan 8.360 nan 0.000 0.442 236 N N 0.503 119.217 118.700 0.025 0.000 2.504 236 N HA 0.171 4.911 4.740 -0.000 0.000 0.280 236 N C -0.724 174.816 175.510 0.051 0.000 1.052 236 N CA -0.365 52.709 53.050 0.040 0.000 0.887 236 N CB 2.108 40.618 38.487 0.039 0.000 1.323 236 N HN -0.122 nan 8.380 nan 0.000 0.509 237 V N 3.558 123.518 119.914 0.077 0.000 2.409 237 V HA -0.024 4.096 4.120 -0.000 0.000 0.270 237 V C 1.258 177.446 176.094 0.158 0.000 1.019 237 V CA 0.384 62.743 62.300 0.099 0.000 1.066 237 V CB 0.920 32.835 31.823 0.154 0.000 1.021 237 V HN 0.518 nan 8.190 nan 0.000 0.476 238 V N 4.604 124.521 119.914 0.005 0.000 3.590 238 V HA 0.511 4.631 4.120 -0.000 0.000 0.265 238 V C 1.024 176.854 176.094 -0.441 0.000 1.239 238 V CA 1.477 63.751 62.300 -0.043 0.000 1.117 238 V CB 0.315 32.126 31.823 -0.020 0.000 0.818 238 V HN 0.971 nan 8.190 nan 0.000 0.451 239 G N -1.138 107.250 108.800 -0.688 0.000 2.489 239 G HA2 0.496 4.456 3.960 -0.000 0.000 0.305 239 G HA3 0.496 4.456 3.960 -0.000 0.000 0.305 239 G C -1.464 173.097 174.900 -0.566 0.000 1.311 239 G CA -0.051 44.509 45.100 -0.901 0.000 0.813 239 G HN 0.113 nan 8.290 nan 0.000 0.480 240 S N -0.282 115.220 115.700 -0.330 0.000 2.521 240 S HA 0.595 5.065 4.470 -0.000 0.000 0.295 240 S C -0.887 173.644 174.600 -0.115 0.000 1.098 240 S CA -0.594 57.517 58.200 -0.148 0.000 0.999 240 S CB 2.118 65.284 63.200 -0.057 0.000 1.034 240 S HN 0.683 nan 8.310 nan 0.000 0.483 241 E N 1.824 121.962 120.200 -0.103 0.000 2.259 241 E HA 0.457 4.806 4.350 -0.000 0.000 0.281 241 E C -0.790 175.706 176.600 -0.173 0.000 1.037 241 E CA 0.058 56.387 56.400 -0.119 0.000 0.854 241 E CB 0.566 30.213 29.700 -0.088 0.000 1.051 241 E HN 0.541 nan 8.360 nan 0.000 0.409 242 T N 4.880 119.248 114.554 -0.310 0.000 2.887 242 T HA 0.543 4.893 4.350 -0.000 0.000 0.288 242 T C -0.648 173.735 174.700 -0.529 0.000 1.021 242 T CA -0.804 61.025 62.100 -0.451 0.000 1.000 242 T CB 1.269 69.717 68.868 -0.701 0.000 1.034 242 T HN 0.386 nan 8.240 nan 0.000 0.467 243 R N 1.726 122.010 120.500 -0.359 0.000 2.575 243 R HA 0.688 5.028 4.340 -0.000 0.000 0.293 243 R C -1.913 174.278 176.300 -0.181 0.000 0.983 243 R CA -0.538 55.410 56.100 -0.254 0.000 0.887 243 R CB 1.358 31.575 30.300 -0.138 0.000 1.184 243 R HN 0.470 nan 8.270 nan 0.000 0.445 244 V N 4.435 124.286 119.914 -0.104 0.000 2.495 244 V HA 0.435 4.555 4.120 -0.000 0.000 0.298 244 V C -0.579 175.507 176.094 -0.012 0.000 1.031 244 V CA -0.824 61.458 62.300 -0.031 0.000 0.871 244 V CB 1.897 33.770 31.823 0.085 0.000 0.988 244 V HN 0.720 nan 8.190 nan 0.000 0.432 245 K N 3.152 123.535 120.400 -0.029 0.000 2.244 245 K HA 0.629 4.949 4.320 -0.000 0.000 0.260 245 K C -1.055 175.546 176.600 0.002 0.000 0.951 245 K CA -0.773 55.521 56.287 0.011 0.000 0.826 245 K CB 2.434 34.952 32.500 0.030 0.000 1.108 245 K HN 0.421 nan 8.250 nan 0.000 0.433 246 V N 4.135 124.061 119.914 0.020 0.000 2.313 246 V HA -0.021 4.099 4.120 -0.000 0.000 0.252 246 V C 1.230 177.311 176.094 -0.022 0.000 1.112 246 V CA -0.248 62.041 62.300 -0.017 0.000 0.984 246 V CB 0.294 32.096 31.823 -0.035 0.000 1.157 246 V HN 0.753 nan 8.190 nan 0.000 0.493 247 V N 1.460 121.384 119.914 0.018 0.000 3.306 247 V HA 0.276 4.396 4.120 -0.000 0.000 0.264 247 V C 0.708 176.764 176.094 -0.064 0.000 1.149 247 V CA 0.833 63.191 62.300 0.096 0.000 1.143 247 V CB -0.385 31.555 31.823 0.195 0.000 0.767 247 V HN 0.692 nan 8.190 nan 0.000 0.476 248 K N 0.977 121.309 120.400 -0.114 0.000 2.501 248 K HA 0.476 4.796 4.320 -0.000 0.000 0.252 248 K C -1.831 174.680 176.600 -0.148 0.000 0.934 248 K CA -0.633 55.559 56.287 -0.158 0.000 0.797 248 K CB 1.803 34.262 32.500 -0.068 0.000 1.270 248 K HN 0.245 nan 8.250 nan 0.000 0.431 249 N N 3.222 121.820 118.700 -0.169 0.000 2.616 249 N HA 0.173 4.913 4.740 -0.000 0.000 0.281 249 N C -0.896 174.561 175.510 -0.088 0.000 1.145 249 N CA -0.380 52.602 53.050 -0.113 0.000 0.919 249 N CB 1.312 39.721 38.487 -0.131 0.000 1.509 249 N HN 0.532 nan 8.380 nan 0.000 0.537 250 K N 2.872 123.245 120.400 -0.045 0.000 2.387 250 K HA 0.279 4.599 4.320 -0.000 0.000 0.198 250 K C 0.881 177.474 176.600 -0.012 0.000 1.022 250 K CA 0.028 56.300 56.287 -0.025 0.000 1.128 250 K CB 0.727 33.225 32.500 -0.004 0.000 0.853 250 K HN 0.521 nan 8.250 nan 0.000 0.523 251 I N -0.152 120.408 120.570 -0.017 0.000 3.790 251 I HA 0.080 4.250 4.170 -0.000 0.000 0.305 251 I C 0.415 176.526 176.117 -0.010 0.000 1.253 251 I CA 0.110 61.406 61.300 -0.007 0.000 1.355 251 I CB 0.671 38.668 38.000 -0.004 0.000 1.137 251 I HN -0.030 nan 8.210 nan 0.000 0.435 252 A N -0.272 122.534 122.820 -0.023 0.000 2.581 252 A HA 0.817 5.137 4.320 -0.000 0.000 0.290 252 A C -0.926 176.633 177.584 -0.042 0.000 1.119 252 A CA -0.253 51.772 52.037 -0.021 0.000 0.670 252 A CB 0.093 19.084 19.000 -0.015 0.000 1.280 252 A HN 0.030 nan 8.150 nan 0.000 0.425 253 A N 1.834 124.634 122.820 -0.033 0.000 2.566 253 A HA 0.519 4.839 4.320 -0.000 0.000 0.245 253 A C -1.780 175.741 177.584 -0.106 0.000 1.056 253 A CA -0.175 51.833 52.037 -0.048 0.000 0.757 253 A CB -0.807 18.191 19.000 -0.004 0.000 0.979 253 A HN 0.556 nan 8.150 nan 0.000 0.508 254 P HA 0.413 nan 4.420 nan 0.000 0.279 254 P C -0.107 176.976 177.300 -0.362 0.000 1.282 254 P CA -0.139 62.676 63.100 -0.474 0.000 0.788 254 P CB 0.164 31.317 31.700 -0.911 0.000 1.139 255 F N -4.722 115.234 119.950 0.010 0.000 2.746 255 F HA -0.186 4.341 4.527 -0.001 0.000 0.315 255 F C 0.726 176.531 175.800 0.008 0.000 0.666 255 F CA 0.542 58.547 58.000 0.008 0.000 1.381 255 F CB -2.488 36.517 39.000 0.008 0.000 1.739 255 F HN 0.246 nan 8.300 nan 0.000 0.322 256 K N 1.467 121.929 120.400 0.103 0.000 2.168 256 K HA 0.488 4.808 4.320 -0.000 0.000 0.258 256 K C 0.555 177.195 176.600 0.067 0.000 1.010 256 K CA -0.312 56.022 56.287 0.078 0.000 0.929 256 K CB 0.814 33.341 32.500 0.045 0.000 0.998 256 K HN 0.415 nan 8.250 nan 0.000 0.479 257 Q N -0.176 119.658 119.800 0.057 0.000 2.484 257 Q HA 0.763 5.103 4.340 -0.000 0.000 0.285 257 Q C -1.617 174.415 176.000 0.053 0.000 1.097 257 Q CA -1.347 54.484 55.803 0.048 0.000 0.802 257 Q CB 2.088 30.847 28.738 0.034 0.000 1.444 257 Q HN 0.529 nan 8.270 nan 0.000 0.429 258 A N 0.902 123.761 122.820 0.067 0.000 2.414 258 A HA 0.646 4.966 4.320 -0.000 0.000 0.306 258 A C -1.298 176.331 177.584 0.075 0.000 1.054 258 A CA -0.624 51.485 52.037 0.120 0.000 0.724 258 A CB 1.882 21.014 19.000 0.220 0.000 1.267 258 A HN 0.712 nan 8.150 nan 0.000 0.418 259 E N 0.527 120.776 120.200 0.082 0.000 2.248 259 E HA 0.700 5.050 4.350 -0.000 0.000 0.267 259 E C -1.542 175.115 176.600 0.095 0.000 0.877 259 E CA -0.384 55.987 56.400 -0.049 0.000 0.759 259 E CB 2.200 31.871 29.700 -0.049 0.000 1.182 259 E HN 0.622 nan 8.360 nan 0.000 0.418 260 F N -1.089 118.850 119.950 -0.018 0.000 2.817 260 F HA 0.426 4.953 4.527 0.001 0.000 0.317 260 F C -1.211 174.576 175.800 -0.022 0.000 1.168 260 F CA -1.162 56.825 58.000 -0.022 0.000 0.911 260 F CB 0.920 39.913 39.000 -0.013 0.000 1.337 260 F HN 0.172 nan 8.300 nan 0.000 0.464 261 Q N 1.231 121.168 119.800 0.229 0.000 2.266 261 Q HA 0.720 5.060 4.340 -0.000 0.000 0.261 261 Q C -1.294 174.826 176.000 0.201 0.000 0.985 261 Q CA -0.898 54.968 55.803 0.105 0.000 0.873 261 Q CB 3.081 31.841 28.738 0.037 0.000 1.306 261 Q HN 0.620 nan 8.270 nan 0.000 0.447 262 I N 2.740 123.375 120.570 0.108 0.000 2.382 262 I HA 0.201 4.370 4.170 -0.000 0.000 0.285 262 I C -1.195 174.917 176.117 -0.008 0.000 1.007 262 I CA -0.838 60.540 61.300 0.130 0.000 1.142 262 I CB 1.032 39.133 38.000 0.169 0.000 1.289 262 I HN 0.273 nan 8.210 nan 0.000 0.453 263 L N 7.146 128.380 121.223 0.018 0.000 2.312 263 L HA 0.321 4.661 4.340 -0.000 0.000 0.281 263 L C -0.272 176.625 176.870 0.045 0.000 1.070 263 L CA -0.527 54.279 54.840 -0.058 0.000 0.805 263 L CB 0.117 42.179 42.059 0.006 0.000 1.174 263 L HN 0.260 nan 8.230 nan 0.000 0.434 264 Y N 2.183 122.515 120.300 0.054 0.000 2.717 264 Y HA 0.298 4.847 4.550 -0.000 0.000 0.330 264 Y C 1.587 177.523 175.900 0.060 0.000 1.217 264 Y CA 0.658 58.770 58.100 0.020 0.000 1.506 264 Y CB -0.096 38.355 38.460 -0.015 0.000 1.268 264 Y HN 0.846 nan 8.280 nan 0.000 0.561 265 G N 2.066 111.021 108.800 0.258 0.000 2.196 265 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.268 265 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.268 265 G C 1.150 176.233 174.900 0.305 0.000 0.975 265 G CA 0.734 46.012 45.100 0.297 0.000 0.648 265 G HN 0.615 nan 8.290 nan 0.000 0.538 266 E N -0.080 120.279 120.200 0.265 0.000 2.306 266 E HA 0.416 4.766 4.350 -0.000 0.000 0.201 266 E C 1.400 178.084 176.600 0.140 0.000 0.874 266 E CA 1.793 58.289 56.400 0.159 0.000 0.972 266 E CB 0.464 30.234 29.700 0.118 0.000 0.957 266 E HN 1.663 nan 8.360 nan 0.000 0.492 267 G N 1.086 110.007 108.800 0.201 0.000 2.447 267 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.220 267 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.220 267 G C -0.417 174.552 174.900 0.115 0.000 1.261 267 G CA -0.291 44.896 45.100 0.145 0.000 1.000 267 G HN 0.161 nan 8.290 nan 0.000 0.515 268 I N 1.406 122.013 120.570 0.061 0.000 2.668 268 I HA 0.034 4.203 4.170 -0.000 0.000 0.285 268 I C 0.753 176.904 176.117 0.056 0.000 1.168 268 I CA -0.137 61.190 61.300 0.045 0.000 1.424 268 I CB 0.614 38.516 38.000 -0.164 0.000 1.377 268 I HN 0.469 nan 8.210 nan 0.000 0.560 269 N N 6.652 125.409 118.700 0.095 0.000 2.739 269 N HA -0.044 4.696 4.740 -0.000 0.000 0.266 269 N C 0.579 176.116 175.510 0.045 0.000 1.168 269 N CA 0.106 53.207 53.050 0.085 0.000 1.055 269 N CB -0.099 38.436 38.487 0.079 0.000 1.393 269 N HN 0.515 nan 8.380 nan 0.000 0.514 270 F N 3.220 123.084 119.950 -0.142 0.000 2.102 270 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 270 F C 0.919 176.562 175.800 -0.261 0.000 1.105 270 F CA 1.562 59.402 58.000 -0.266 0.000 1.239 270 F CB -0.203 38.539 39.000 -0.430 0.000 0.991 270 F HN 0.393 nan 8.300 nan 0.000 0.474 271 Y N 0.502 120.736 120.300 -0.111 0.000 2.293 271 Y HA -0.013 4.537 4.550 -0.000 0.000 0.291 271 Y C 2.719 178.489 175.900 -0.217 0.000 1.137 271 Y CA 1.130 59.112 58.100 -0.197 0.000 1.202 271 Y CB -1.319 37.130 38.460 -0.018 0.000 0.990 271 Y HN 0.145 nan 8.280 nan 0.000 0.537 272 G N -0.178 108.611 108.800 -0.018 0.000 2.418 272 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 272 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 272 G C 1.471 176.302 174.900 -0.114 0.000 1.158 272 G CA 0.965 46.032 45.100 -0.056 0.000 0.771 272 G HN 0.429 nan 8.290 nan 0.000 0.545 273 E N -0.240 119.853 120.200 -0.179 0.000 2.110 273 E HA -0.089 4.261 4.350 -0.000 0.000 0.193 273 E C 2.367 178.812 176.600 -0.259 0.000 0.988 273 E CA 0.634 56.918 56.400 -0.195 0.000 0.804 273 E CB -0.174 29.386 29.700 -0.234 0.000 0.745 273 E HN 0.336 nan 8.360 nan 0.000 0.458 274 L N 0.862 121.831 121.223 -0.423 0.000 2.083 274 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 274 L C 2.211 178.986 176.870 -0.159 0.000 1.083 274 L CA 1.243 55.883 54.840 -0.334 0.000 0.752 274 L CB -0.260 41.546 42.059 -0.421 0.000 0.899 274 L HN -0.051 nan 8.230 nan 0.000 0.433 275 V N -0.150 119.682 119.914 -0.138 0.000 2.233 275 V HA -0.334 3.785 4.120 -0.000 0.000 0.247 275 V C 2.305 178.361 176.094 -0.064 0.000 1.050 275 V CA 2.189 64.410 62.300 -0.130 0.000 1.010 275 V CB -0.722 30.967 31.823 -0.223 0.000 0.637 275 V HN 0.458 nan 8.190 nan 0.000 0.444 276 D N -0.291 120.077 120.400 -0.055 0.000 2.117 276 D HA -0.119 4.520 4.640 -0.000 0.000 0.197 276 D C 1.994 178.297 176.300 0.005 0.000 0.987 276 D CA 1.018 55.018 54.000 -0.000 0.000 0.829 276 D CB -0.212 40.586 40.800 -0.004 0.000 0.961 276 D HN 0.191 nan 8.370 nan 0.000 0.460 277 L N 0.790 121.997 121.223 -0.027 0.000 2.141 277 L HA 0.024 4.364 4.340 -0.000 0.000 0.209 277 L C 2.433 179.307 176.870 0.006 0.000 1.094 277 L CA 1.229 56.061 54.840 -0.013 0.000 0.763 277 L CB -1.369 40.667 42.059 -0.038 0.000 0.908 277 L HN 0.018 nan 8.230 nan 0.000 0.437 278 G N -1.155 107.646 108.800 0.001 0.000 2.421 278 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 278 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 278 G C 1.690 176.633 174.900 0.073 0.000 1.171 278 G CA 0.993 46.112 45.100 0.032 0.000 0.775 278 G HN 0.253 nan 8.290 nan 0.000 0.543 279 V N 1.081 121.048 119.914 0.089 0.000 2.255 279 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 279 V C 2.676 178.814 176.094 0.074 0.000 1.051 279 V CA 2.325 64.693 62.300 0.113 0.000 1.018 279 V CB -0.514 31.405 31.823 0.161 0.000 0.641 279 V HN 0.426 nan 8.190 nan 0.000 0.445 280 K N -0.043 120.391 120.400 0.057 0.000 2.103 280 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 280 K C 1.699 178.323 176.600 0.040 0.000 1.048 280 K CA 1.614 57.926 56.287 0.041 0.000 0.930 280 K CB -0.043 32.477 32.500 0.032 0.000 0.716 280 K HN 0.407 nan 8.250 nan 0.000 0.444 281 E N 0.975 121.202 120.200 0.044 0.000 2.437 281 E HA -0.004 4.345 4.350 -0.000 0.000 0.189 281 E C -0.297 176.336 176.600 0.056 0.000 1.054 281 E CA 0.028 56.455 56.400 0.045 0.000 0.874 281 E CB 0.380 30.106 29.700 0.044 0.000 1.011 281 E HN 0.099 nan 8.360 nan 0.000 0.474 282 K N 0.786 121.223 120.400 0.061 0.000 3.540 282 K HA -0.193 4.126 4.320 -0.000 0.000 0.274 282 K C 0.614 177.266 176.600 0.087 0.000 0.890 282 K CA 0.322 56.650 56.287 0.068 0.000 0.701 282 K CB -1.639 30.889 32.500 0.046 0.000 1.523 282 K HN 0.310 nan 8.250 nan 0.000 0.450 283 L N -1.017 120.281 121.223 0.124 0.000 2.470 283 L HA 0.255 4.595 4.340 -0.000 0.000 0.219 283 L C 1.092 178.141 176.870 0.298 0.000 1.071 283 L CA 0.274 55.234 54.840 0.201 0.000 0.850 283 L CB 0.262 42.443 42.059 0.203 0.000 1.040 283 L HN 0.161 nan 8.230 nan 0.000 0.475 284 I N -0.199 120.506 120.570 0.225 0.000 2.530 284 I HA 0.241 4.411 4.170 -0.000 0.000 0.297 284 I C -0.308 175.913 176.117 0.172 0.000 1.011 284 I CA -0.422 61.028 61.300 0.249 0.000 1.107 284 I CB 2.678 40.799 38.000 0.202 0.000 1.285 284 I HN -0.026 nan 8.210 nan 0.000 0.436 285 E N 5.974 126.259 120.200 0.142 0.000 2.179 285 E HA 0.345 4.695 4.350 -0.000 0.000 0.275 285 E C -1.146 175.479 176.600 0.042 0.000 0.945 285 E CA -0.815 55.629 56.400 0.073 0.000 0.792 285 E CB 1.845 31.566 29.700 0.035 0.000 1.125 285 E HN 0.412 nan 8.360 nan 0.000 0.397 286 K N 2.666 123.036 120.400 -0.049 0.000 2.413 286 K HA 0.547 4.867 4.320 -0.000 0.000 0.257 286 K C -1.674 174.834 176.600 -0.154 0.000 0.946 286 K CA -0.591 55.544 56.287 -0.253 0.000 0.823 286 K CB 1.544 33.782 32.500 -0.436 0.000 1.109 286 K HN 0.428 nan 8.250 nan 0.000 0.427 287 A N 3.990 126.741 122.820 -0.114 0.000 2.508 287 A HA 0.579 4.899 4.320 -0.000 0.000 0.336 287 A C 0.702 178.261 177.584 -0.042 0.000 1.360 287 A CA 0.180 52.189 52.037 -0.046 0.000 0.841 287 A CB 0.107 19.109 19.000 0.003 0.000 1.136 287 A HN 1.095 nan 8.150 nan 0.000 0.489 288 G N 1.883 110.632 108.800 -0.085 0.000 2.846 288 G HA2 -0.124 3.835 3.960 -0.000 0.000 0.317 288 G HA3 -0.124 3.835 3.960 -0.000 0.000 0.317 288 G C 1.392 176.195 174.900 -0.162 0.000 1.210 288 G CA 1.048 46.099 45.100 -0.082 0.000 0.972 288 G HN 1.986 nan 8.290 nan 0.000 0.567 289 A N -0.887 121.851 122.820 -0.137 0.000 2.220 289 A HA 0.517 4.837 4.320 -0.000 0.000 0.211 289 A C 0.645 177.995 177.584 -0.391 0.000 1.176 289 A CA 0.617 52.499 52.037 -0.257 0.000 0.834 289 A CB 0.039 18.884 19.000 -0.257 0.000 0.868 289 A HN 0.545 nan 8.150 nan 0.000 0.488 290 W N -0.824 120.364 121.300 -0.187 0.000 2.417 290 W HA 0.584 5.244 4.660 0.001 0.000 0.317 290 W C -0.736 175.634 176.519 -0.249 0.000 1.121 290 W CA -0.128 57.144 57.345 -0.121 0.000 1.208 290 W CB 0.624 30.040 29.460 -0.072 0.000 1.253 290 W HN 0.180 nan 8.180 nan 0.000 0.533 291 Y N 1.822 122.238 120.300 0.192 0.000 2.409 291 Y HA 0.602 5.152 4.550 -0.000 0.000 0.339 291 Y C 0.333 176.280 175.900 0.079 0.000 1.033 291 Y CA -0.696 57.459 58.100 0.090 0.000 1.094 291 Y CB 1.903 40.373 38.460 0.017 0.000 1.210 291 Y HN 0.157 nan 8.280 nan 0.000 0.456 292 S N 1.661 117.472 115.700 0.185 0.000 2.546 292 S HA 0.493 4.963 4.470 -0.000 0.000 0.274 292 S C -2.161 172.499 174.600 0.101 0.000 1.121 292 S CA -0.864 57.376 58.200 0.068 0.000 0.887 292 S CB 1.839 65.053 63.200 0.024 0.000 1.094 292 S HN 0.501 nan 8.310 nan 0.000 0.474 293 Y N 1.970 122.192 120.300 -0.130 0.000 2.406 293 Y HA 0.432 4.982 4.550 0.000 0.000 0.340 293 Y C 0.014 175.877 175.900 -0.061 0.000 0.975 293 Y CA -1.088 56.962 58.100 -0.083 0.000 1.056 293 Y CB 0.978 39.369 38.460 -0.114 0.000 1.210 293 Y HN 0.810 nan 8.280 nan 0.000 0.448 294 K N 4.576 124.657 120.400 -0.532 0.000 3.078 294 K HA -0.263 4.056 4.320 -0.000 0.000 0.261 294 K C 0.891 177.380 176.600 -0.185 0.000 0.947 294 K CA 1.154 57.194 56.287 -0.411 0.000 0.702 294 K CB -1.581 30.610 32.500 -0.515 0.000 1.318 294 K HN 1.335 nan 8.250 nan 0.000 0.473 295 G N -0.808 107.913 108.800 -0.132 0.000 2.217 295 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.246 295 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.246 295 G C -0.183 174.670 174.900 -0.079 0.000 0.990 295 G CA 0.432 45.479 45.100 -0.089 0.000 0.627 295 G HN 0.327 nan 8.290 nan 0.000 0.522 296 E N 0.746 120.898 120.200 -0.079 0.000 2.195 296 E HA 0.459 4.809 4.350 -0.000 0.000 0.271 296 E C 0.098 176.631 176.600 -0.111 0.000 0.923 296 E CA -0.761 55.589 56.400 -0.082 0.000 0.790 296 E CB 1.222 30.892 29.700 -0.050 0.000 1.155 296 E HN 0.376 nan 8.360 nan 0.000 0.402 297 K N 2.215 122.549 120.400 -0.110 0.000 2.451 297 K HA 0.090 4.410 4.320 -0.000 0.000 0.280 297 K C 1.283 177.786 176.600 -0.161 0.000 1.020 297 K CA 0.212 56.461 56.287 -0.064 0.000 1.008 297 K CB 0.374 32.824 32.500 -0.084 0.000 0.917 297 K HN 0.507 nan 8.250 nan 0.000 0.478 298 I N -1.417 119.019 120.570 -0.224 0.000 4.035 298 I HA 0.313 4.483 4.170 -0.000 0.000 0.321 298 I C 0.614 176.640 176.117 -0.152 0.000 1.289 298 I CA -0.268 60.644 61.300 -0.646 0.000 1.236 298 I CB 0.764 38.146 38.000 -1.030 0.000 1.076 298 I HN 0.593 nan 8.210 nan 0.000 0.418 299 G N 1.440 110.334 108.800 0.157 0.000 2.358 299 G HA2 0.156 4.116 3.960 -0.000 0.000 0.301 299 G HA3 0.156 4.116 3.960 -0.000 0.000 0.301 299 G C -2.024 172.836 174.900 -0.067 0.000 1.539 299 G CA -0.713 44.470 45.100 0.138 0.000 0.893 299 G HN 0.212 nan 8.290 nan 0.000 0.636 300 Q N 0.263 119.718 119.800 -0.575 0.000 2.340 300 Q HA 0.550 4.890 4.340 -0.000 0.000 0.259 300 Q C 0.375 176.156 176.000 -0.364 0.000 0.964 300 Q CA 0.512 55.714 55.803 -1.001 0.000 0.900 300 Q CB 1.001 28.823 28.738 -1.528 0.000 1.228 300 Q HN 2.418 nan 8.270 nan 0.000 0.449 301 G N 3.108 111.841 108.800 -0.111 0.000 2.777 301 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.686 301 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.686 301 G C 0.042 174.977 174.900 0.058 0.000 1.177 301 G CA -0.052 45.076 45.100 0.047 0.000 0.775 301 G HN 0.809 nan 8.290 nan 0.000 0.613 302 K N 1.050 121.490 120.400 0.067 0.000 2.144 302 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 302 K C 2.879 179.375 176.600 -0.174 0.000 1.047 302 K CA 2.977 59.133 56.287 -0.218 0.000 0.927 302 K CB -0.299 32.158 32.500 -0.072 0.000 0.716 302 K HN 1.247 nan 8.250 nan 0.000 0.454 303 A N 1.136 123.906 122.820 -0.083 0.000 1.902 303 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 303 A C 1.839 179.392 177.584 -0.050 0.000 1.181 303 A CA 1.768 53.771 52.037 -0.057 0.000 0.623 303 A CB -0.530 18.449 19.000 -0.035 0.000 0.818 303 A HN 0.402 nan 8.150 nan 0.000 0.443 304 N N 0.144 118.810 118.700 -0.057 0.000 2.250 304 N HA -0.030 4.710 4.740 -0.000 0.000 0.181 304 N C 1.961 177.470 175.510 -0.002 0.000 1.017 304 N CA 1.303 54.341 53.050 -0.020 0.000 0.866 304 N CB -0.477 37.987 38.487 -0.038 0.000 0.985 304 N HN 0.442 nan 8.380 nan 0.000 0.429 305 A N 0.768 123.529 122.820 -0.098 0.000 1.908 305 A HA -0.139 4.180 4.320 -0.000 0.000 0.218 305 A C 2.387 179.938 177.584 -0.056 0.000 1.181 305 A CA 1.989 53.938 52.037 -0.148 0.000 0.627 305 A CB -1.082 17.570 19.000 -0.580 0.000 0.818 305 A HN 0.262 nan 8.150 nan 0.000 0.445 306 T N 0.211 114.711 114.554 -0.091 0.000 2.708 306 T HA -0.028 4.322 4.350 -0.000 0.000 0.266 306 T C 2.245 176.922 174.700 -0.039 0.000 1.037 306 T CA 1.676 63.757 62.100 -0.033 0.000 1.146 306 T CB -0.492 68.363 68.868 -0.021 0.000 0.865 306 T HN 0.617 nan 8.240 nan 0.000 0.435 307 A N 0.405 123.214 122.820 -0.018 0.000 1.908 307 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 307 A C 2.058 179.621 177.584 -0.036 0.000 1.181 307 A CA 1.699 53.715 52.037 -0.035 0.000 0.627 307 A CB -1.212 17.791 19.000 0.005 0.000 0.818 307 A HN 0.720 nan 8.150 nan 0.000 0.445 308 W N 0.604 121.835 121.300 -0.116 0.000 2.335 308 W HA -0.183 4.476 4.660 -0.001 0.000 0.311 308 W C 1.809 178.235 176.519 -0.156 0.000 1.213 308 W CA 2.021 59.309 57.345 -0.096 0.000 1.274 308 W CB -0.334 29.101 29.460 -0.042 0.000 1.148 308 W HN 0.259 nan 8.180 nan 0.000 0.498 309 L N 0.716 121.980 121.223 0.069 0.000 2.079 309 L HA -0.256 4.084 4.340 -0.000 0.000 0.210 309 L C 2.603 179.104 176.870 -0.615 0.000 1.081 309 L CA 1.909 56.644 54.840 -0.175 0.000 0.752 309 L CB -0.926 41.134 42.059 0.002 0.000 0.896 309 L HN -0.003 nan 8.230 nan 0.000 0.433 310 K N 0.085 120.011 120.400 -0.790 0.000 2.148 310 K HA -0.197 4.123 4.320 -0.000 0.000 0.204 310 K C 1.378 177.683 176.600 -0.491 0.000 1.050 310 K CA 1.688 57.419 56.287 -0.927 0.000 0.942 310 K CB 0.076 32.220 32.500 -0.593 0.000 0.724 310 K HN 0.204 nan 8.250 nan 0.000 0.446 311 D N 0.007 120.151 120.400 -0.426 0.000 2.323 311 D HA -0.002 4.638 4.640 -0.000 0.000 0.209 311 D C -0.115 175.915 176.300 -0.450 0.000 0.973 311 D CA 0.670 54.450 54.000 -0.368 0.000 0.874 311 D CB 0.265 40.866 40.800 -0.332 0.000 0.930 311 D HN 0.106 nan 8.370 nan 0.000 0.521 312 N N 0.277 118.606 118.700 -0.619 0.000 2.813 312 N HA 0.128 4.868 4.740 -0.000 0.000 0.282 312 N C -2.152 173.134 175.510 -0.373 0.000 1.748 312 N CA -0.929 51.757 53.050 -0.606 0.000 0.860 312 N CB 1.762 39.542 38.487 -1.179 0.000 1.204 312 N HN 0.025 nan 8.380 nan 0.000 0.490 313 P HA -0.109 nan 4.420 nan 0.000 0.218 313 P C 1.216 178.493 177.300 -0.038 0.000 1.148 313 P CA 1.176 64.225 63.100 -0.085 0.000 0.822 313 P CB 0.551 32.221 31.700 -0.050 0.000 0.784 314 E N -0.993 119.173 120.200 -0.056 0.000 2.150 314 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 314 E C 1.885 178.493 176.600 0.012 0.000 0.985 314 E CA 1.281 57.673 56.400 -0.013 0.000 0.814 314 E CB -1.210 28.483 29.700 -0.012 0.000 0.752 314 E HN 0.280 nan 8.360 nan 0.000 0.466 315 T N 1.092 115.639 114.554 -0.011 0.000 2.809 315 T HA 0.010 4.359 4.350 -0.000 0.000 0.260 315 T C 1.985 176.693 174.700 0.013 0.000 1.039 315 T CA 1.220 63.347 62.100 0.045 0.000 1.141 315 T CB -0.189 68.741 68.868 0.104 0.000 0.869 315 T HN 0.255 nan 8.240 nan 0.000 0.437 316 A N 2.015 124.838 122.820 0.005 0.000 1.917 316 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 316 A C 2.213 179.874 177.584 0.128 0.000 1.182 316 A CA 1.978 54.074 52.037 0.098 0.000 0.633 316 A CB -0.550 18.587 19.000 0.229 0.000 0.819 316 A HN 0.471 nan 8.150 nan 0.000 0.448 317 K N -0.712 119.753 120.400 0.108 0.000 2.147 317 K HA -0.167 4.153 4.320 -0.000 0.000 0.205 317 K C 2.139 178.784 176.600 0.073 0.000 1.049 317 K CA 1.462 57.803 56.287 0.090 0.000 0.936 317 K CB -0.103 32.431 32.500 0.056 0.000 0.722 317 K HN 0.736 nan 8.250 nan 0.000 0.446 318 E N 1.071 121.312 120.200 0.068 0.000 2.028 318 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 318 E C 1.952 178.599 176.600 0.079 0.000 0.988 318 E CA 1.036 57.484 56.400 0.081 0.000 0.799 318 E CB 0.017 29.787 29.700 0.116 0.000 0.755 318 E HN 0.229 nan 8.360 nan 0.000 0.447 319 I N 1.148 121.742 120.570 0.040 0.000 2.208 319 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 319 I C 2.703 178.844 176.117 0.041 0.000 1.097 319 I CA 1.320 62.629 61.300 0.015 0.000 1.363 319 I CB -0.425 37.509 38.000 -0.110 0.000 1.051 319 I HN 0.282 nan 8.210 nan 0.000 0.413 320 E N 1.458 121.696 120.200 0.064 0.000 2.058 320 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 320 E C 2.294 178.938 176.600 0.073 0.000 0.997 320 E CA 1.284 57.739 56.400 0.091 0.000 0.801 320 E CB 0.022 29.828 29.700 0.178 0.000 0.746 320 E HN 0.210 nan 8.360 nan 0.000 0.450 321 K N 1.016 121.456 120.400 0.067 0.000 2.032 321 K HA -0.194 4.125 4.320 -0.000 0.000 0.209 321 K C 1.987 178.617 176.600 0.051 0.000 1.048 321 K CA 1.580 57.899 56.287 0.053 0.000 0.927 321 K CB -0.066 32.464 32.500 0.050 0.000 0.712 321 K HN 0.064 nan 8.250 nan 0.000 0.441 322 K N 0.122 120.558 120.400 0.060 0.000 2.097 322 K HA -0.071 4.249 4.320 -0.000 0.000 0.205 322 K C 2.101 178.731 176.600 0.050 0.000 1.050 322 K CA 1.038 57.361 56.287 0.060 0.000 0.938 322 K CB -0.046 32.502 32.500 0.080 0.000 0.718 322 K HN -0.070 nan 8.250 nan 0.000 0.442 323 V N 1.493 121.434 119.914 0.045 0.000 2.295 323 V HA -0.262 3.857 4.120 -0.000 0.000 0.246 323 V C 2.247 178.360 176.094 0.031 0.000 1.049 323 V CA 1.712 64.032 62.300 0.033 0.000 1.024 323 V CB -0.436 31.398 31.823 0.018 0.000 0.648 323 V HN 0.283 nan 8.190 nan 0.000 0.447 324 R N -0.265 120.256 120.500 0.035 0.000 2.081 324 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 324 R C 2.312 178.628 176.300 0.027 0.000 1.131 324 R CA 1.672 57.790 56.100 0.030 0.000 0.960 324 R CB -0.320 29.999 30.300 0.032 0.000 0.856 324 R HN 0.626 nan 8.270 nan 0.000 0.436 325 E N 0.596 120.814 120.200 0.030 0.000 2.110 325 E HA -0.182 4.167 4.350 -0.000 0.000 0.193 325 E C 2.037 178.652 176.600 0.026 0.000 0.988 325 E CA 1.027 57.443 56.400 0.027 0.000 0.804 325 E CB -0.057 29.662 29.700 0.030 0.000 0.745 325 E HN 0.317 nan 8.360 nan 0.000 0.458 326 L N 0.127 121.368 121.223 0.029 0.000 2.095 326 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 326 L C 2.192 179.077 176.870 0.024 0.000 1.080 326 L CA 0.780 55.636 54.840 0.028 0.000 0.759 326 L CB -0.071 42.007 42.059 0.031 0.000 0.914 326 L HN 0.128 nan 8.230 nan 0.000 0.439 327 L N -0.936 120.301 121.223 0.023 0.000 2.585 327 L HA 0.132 4.472 4.340 -0.000 0.000 0.226 327 L C 0.198 177.079 176.870 0.019 0.000 1.113 327 L CA -0.215 54.638 54.840 0.021 0.000 0.876 327 L CB 0.494 42.566 42.059 0.021 0.000 1.072 327 L HN 0.126 nan 8.230 nan 0.000 0.468 328 L N 0.000 121.234 121.223 0.018 0.000 2.949 328 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 328 L CA 0.000 54.849 54.840 0.015 0.000 0.813 328 L CB 0.000 42.068 42.059 0.014 0.000 0.961 328 L HN 0.000 nan 8.230 nan 0.000 0.502