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 3bxz_1_A DATA FIRST_RESID 11 DATA SEQUENCE GSRNDRTLRR MRKVVNIINA MEPEMEKLSD EELKGKTAEF RARLEKGEVL DATA SEQUENCE ENLIPEAFAV VREASKRVFG MRHFDVQLLG GMVLNERCIA EMRTGEGKTL DATA SEQUENCE TATLPAYLNA LTGKGVHVVT VNDYLAQRDA ENNRPLFEFL GLTVGINLPG DATA SEQUENCE MPAPAKREAY AADITYGTNN EYGFDYLRDN MAFSPEERVQ RKLHYALVDE DATA SEQUENCE VDSILIDEAR TPLIIXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XLASITFQNY FRLYEKLAGM TGTADTEAFE FSSIYKLDTV DATA SEQUENCE VVPTNRPMIR KDLPDLVYMT EAEKIQAIIE DIKERTAKGQ PVLVGTISIE DATA SEQUENCE KSELVSNELT KAGIKHNVLN AKFHANEAAI VAQAGYPAAV TIATNMAGRG DATA SEQUENCE TDIVLGGSWQ AEVAALENPT AEQIEKIKAD WQVRHDAVLE AGGLHIIGTE DATA SEQUENCE RHESRRIDNQ LRGRSGRQGD AGSSRFYLSM EDAL 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.910 174.900 0.017 0.000 0.946 11 G CA 0.000 45.111 45.100 0.017 0.000 0.502 12 S N -0.115 115.594 115.700 0.015 0.000 2.481 12 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 12 S C 2.229 176.838 174.600 0.016 0.000 0.996 12 S CA 1.615 59.823 58.200 0.013 0.000 0.942 12 S CB -0.319 62.887 63.200 0.011 0.000 0.768 12 S HN 0.387 nan 8.310 nan 0.000 0.520 13 R N 2.111 122.623 120.500 0.020 0.000 2.062 13 R HA 0.032 4.371 4.340 -0.000 0.000 0.229 13 R C 2.114 178.428 176.300 0.024 0.000 1.128 13 R CA 1.220 57.334 56.100 0.023 0.000 0.960 13 R CB -1.255 29.062 30.300 0.029 0.000 0.855 13 R HN 0.491 nan 8.270 nan 0.000 0.432 14 N N 1.108 119.824 118.700 0.026 0.000 2.223 14 N HA -0.165 4.574 4.740 -0.000 0.000 0.185 14 N C 0.978 176.501 175.510 0.022 0.000 1.016 14 N CA 1.312 54.378 53.050 0.027 0.000 0.863 14 N CB -0.095 38.410 38.487 0.029 0.000 0.983 14 N HN 0.241 nan 8.380 nan 0.000 0.429 15 D N 0.941 121.352 120.400 0.019 0.000 2.077 15 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 15 D C 2.114 178.422 176.300 0.014 0.000 0.986 15 D CA 1.012 55.021 54.000 0.015 0.000 0.829 15 D CB -0.175 40.633 40.800 0.013 0.000 0.983 15 D HN 0.554 nan 8.370 nan 0.000 0.453 16 R N 0.577 121.085 120.500 0.013 0.000 2.105 16 R HA -0.093 4.247 4.340 -0.000 0.000 0.239 16 R C 1.903 178.209 176.300 0.010 0.000 1.135 16 R CA 1.636 57.742 56.100 0.011 0.000 0.967 16 R CB -0.979 29.328 30.300 0.011 0.000 0.861 16 R HN 0.009 nan 8.270 nan 0.000 0.442 17 T N 1.240 115.802 114.554 0.013 0.000 2.904 17 T HA -0.019 4.331 4.350 -0.000 0.000 0.267 17 T C 1.654 176.362 174.700 0.012 0.000 1.059 17 T CA 0.851 62.959 62.100 0.013 0.000 1.137 17 T CB -0.080 68.799 68.868 0.018 0.000 0.879 17 T HN 0.073 nan 8.240 nan 0.000 0.467 18 L N 1.201 122.433 121.223 0.015 0.000 2.095 18 L HA 0.213 4.553 4.340 -0.000 0.000 0.204 18 L C 2.478 179.356 176.870 0.013 0.000 1.080 18 L CA 1.487 56.337 54.840 0.017 0.000 0.759 18 L CB -0.520 41.551 42.059 0.020 0.000 0.914 18 L HN -0.022 nan 8.230 nan 0.000 0.439 19 R N -0.033 120.473 120.500 0.011 0.000 2.083 19 R HA -0.182 4.158 4.340 -0.000 0.000 0.237 19 R C 2.441 178.743 176.300 0.004 0.000 1.137 19 R CA 1.834 57.939 56.100 0.008 0.000 0.951 19 R CB -0.603 29.702 30.300 0.008 0.000 0.851 19 R HN 0.308 nan 8.270 nan 0.000 0.434 20 R N 0.271 120.772 120.500 0.002 0.000 2.143 20 R HA -0.233 4.107 4.340 -0.000 0.000 0.239 20 R C 2.133 178.426 176.300 -0.010 0.000 1.126 20 R CA 2.917 59.015 56.100 -0.003 0.000 0.927 20 R CB -0.401 29.898 30.300 -0.003 0.000 0.860 20 R HN 0.523 nan 8.270 nan 0.000 0.433 21 M N -1.383 118.210 119.600 -0.011 0.000 2.506 21 M HA 0.110 4.590 4.480 -0.000 0.000 0.260 21 M C 2.019 178.310 176.300 -0.015 0.000 1.104 21 M CA 1.057 56.343 55.300 -0.024 0.000 1.112 21 M CB -0.124 32.461 32.600 -0.027 0.000 1.401 21 M HN -0.044 nan 8.290 nan 0.000 0.473 22 R N 1.722 122.222 120.500 -0.000 0.000 2.139 22 R HA -0.086 4.253 4.340 -0.000 0.000 0.243 22 R C 1.854 178.156 176.300 0.004 0.000 1.145 22 R CA 1.775 57.880 56.100 0.009 0.000 0.976 22 R CB -0.134 30.173 30.300 0.012 0.000 0.866 22 R HN 0.447 nan 8.270 nan 0.000 0.449 23 K N -0.730 119.668 120.400 -0.003 0.000 2.062 23 K HA -0.042 4.278 4.320 -0.000 0.000 0.205 23 K C 1.851 178.443 176.600 -0.013 0.000 1.051 23 K CA 1.457 57.742 56.287 -0.005 0.000 0.941 23 K CB 0.044 32.541 32.500 -0.006 0.000 0.719 23 K HN 0.033 nan 8.250 nan 0.000 0.440 24 V N 1.440 121.336 119.914 -0.029 0.000 2.568 24 V HA -0.201 3.919 4.120 -0.000 0.000 0.253 24 V C 2.226 178.293 176.094 -0.045 0.000 1.072 24 V CA 1.329 63.598 62.300 -0.052 0.000 1.084 24 V CB -0.572 31.196 31.823 -0.091 0.000 0.676 24 V HN 0.068 nan 8.190 nan 0.000 0.469 25 V N 0.455 120.357 119.914 -0.020 0.000 2.379 25 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 25 V C 2.347 178.453 176.094 0.019 0.000 1.044 25 V CA 1.880 64.186 62.300 0.010 0.000 1.036 25 V CB -0.802 31.041 31.823 0.032 0.000 0.664 25 V HN 0.568 nan 8.190 nan 0.000 0.453 26 N N 0.433 119.141 118.700 0.014 0.000 2.104 26 N HA -0.126 4.614 4.740 -0.000 0.000 0.190 26 N C 1.850 177.369 175.510 0.014 0.000 1.024 26 N CA 1.709 54.770 53.050 0.017 0.000 0.853 26 N CB -0.251 38.243 38.487 0.012 0.000 1.008 26 N HN 0.436 nan 8.380 nan 0.000 0.424 27 I N 1.426 121.999 120.570 0.005 0.000 2.163 27 I HA -0.257 3.913 4.170 -0.000 0.000 0.243 27 I C 2.104 178.229 176.117 0.012 0.000 1.085 27 I CA 1.053 62.356 61.300 0.004 0.000 1.347 27 I CB -0.326 37.669 38.000 -0.008 0.000 1.044 27 I HN 0.036 nan 8.210 nan 0.000 0.408 28 I N 0.832 121.410 120.570 0.012 0.000 2.264 28 I HA -0.313 3.856 4.170 -0.000 0.000 0.248 28 I C 2.103 178.241 176.117 0.035 0.000 1.111 28 I CA 1.314 62.631 61.300 0.030 0.000 1.382 28 I CB -0.605 37.422 38.000 0.045 0.000 1.060 28 I HN 0.338 nan 8.210 nan 0.000 0.418 29 N N 0.946 119.667 118.700 0.034 0.000 2.331 29 N HA -0.047 4.693 4.740 -0.000 0.000 0.180 29 N C 1.879 177.406 175.510 0.027 0.000 1.019 29 N CA 1.302 54.373 53.050 0.035 0.000 0.881 29 N CB -0.016 38.495 38.487 0.039 0.000 0.972 29 N HN 0.363 nan 8.380 nan 0.000 0.435 30 A N 0.907 123.741 122.820 0.024 0.000 1.968 30 A HA 0.039 4.359 4.320 -0.000 0.000 0.217 30 A C 2.023 179.619 177.584 0.021 0.000 1.169 30 A CA 0.686 52.736 52.037 0.020 0.000 0.638 30 A CB -0.224 18.787 19.000 0.018 0.000 0.812 30 A HN 0.176 nan 8.150 nan 0.000 0.446 31 M N -0.780 118.835 119.600 0.025 0.000 2.618 31 M HA 0.038 4.518 4.480 -0.000 0.000 0.240 31 M C 1.663 177.977 176.300 0.024 0.000 1.123 31 M CA 0.621 55.938 55.300 0.029 0.000 1.060 31 M CB -0.127 32.497 32.600 0.041 0.000 1.535 31 M HN 0.580 nan 8.290 nan 0.000 0.507 32 E N 1.909 122.122 120.200 0.020 0.000 2.072 32 E HA -0.129 4.221 4.350 -0.000 0.000 0.191 32 E C -0.746 175.860 176.600 0.011 0.000 0.985 32 E CA 1.039 57.447 56.400 0.013 0.000 0.801 32 E CB -0.428 29.280 29.700 0.015 0.000 0.750 32 E HN 0.279 nan 8.360 nan 0.000 0.452 33 P HA -0.142 nan 4.420 nan 0.000 0.221 33 P C 0.467 177.774 177.300 0.010 0.000 1.150 33 P CA 1.239 64.346 63.100 0.011 0.000 0.800 33 P CB 0.061 31.768 31.700 0.012 0.000 0.787 34 E N 0.149 120.357 120.200 0.013 0.000 2.005 34 E HA -0.055 4.295 4.350 -0.000 0.000 0.191 34 E C 2.258 178.866 176.600 0.012 0.000 0.987 34 E CA 0.870 57.277 56.400 0.013 0.000 0.814 34 E CB -0.657 29.053 29.700 0.017 0.000 0.772 34 E HN -0.001 nan 8.360 nan 0.000 0.453 35 M N 1.055 120.664 119.600 0.016 0.000 2.255 35 M HA -0.208 4.272 4.480 -0.000 0.000 0.259 35 M C 1.855 178.160 176.300 0.008 0.000 1.071 35 M CA 1.439 56.748 55.300 0.016 0.000 1.074 35 M CB -0.917 31.693 32.600 0.017 0.000 1.384 35 M HN 0.186 nan 8.290 nan 0.000 0.415 36 E N -0.227 119.975 120.200 0.003 0.000 2.333 36 E HA -0.161 4.189 4.350 -0.000 0.000 0.198 36 E C 1.871 178.473 176.600 0.003 0.000 1.007 36 E CA 0.673 57.073 56.400 -0.001 0.000 0.845 36 E CB 0.229 29.928 29.700 -0.001 0.000 0.766 36 E HN 0.343 nan 8.360 nan 0.000 0.507 37 K N -0.118 120.286 120.400 0.007 0.000 2.202 37 K HA 0.051 4.371 4.320 -0.000 0.000 0.201 37 K C 0.401 177.007 176.600 0.010 0.000 1.051 37 K CA 0.053 56.344 56.287 0.007 0.000 0.977 37 K CB -0.185 32.318 32.500 0.006 0.000 0.792 37 K HN 0.021 nan 8.250 nan 0.000 0.469 38 L N 3.003 124.234 121.223 0.012 0.000 2.615 38 L HA -0.098 4.242 4.340 -0.000 0.000 0.284 38 L C 1.084 177.970 176.870 0.026 0.000 1.237 38 L CA 0.470 55.319 54.840 0.015 0.000 0.905 38 L CB -0.546 41.523 42.059 0.017 0.000 1.149 38 L HN 0.162 nan 8.230 nan 0.000 0.499 39 S N 1.342 117.054 115.700 0.021 0.000 2.587 39 S HA 0.052 4.522 4.470 -0.000 0.000 0.260 39 S C 0.905 175.537 174.600 0.053 0.000 1.353 39 S CA -0.330 57.887 58.200 0.029 0.000 0.995 39 S CB 0.552 63.760 63.200 0.013 0.000 0.912 39 S HN 0.652 nan 8.310 nan 0.000 0.568 40 D N 1.031 121.474 120.400 0.072 0.000 2.106 40 D HA -0.089 4.551 4.640 -0.000 0.000 0.191 40 D C 1.928 178.236 176.300 0.013 0.000 0.997 40 D CA 1.950 56.027 54.000 0.129 0.000 0.834 40 D CB -0.340 40.534 40.800 0.124 0.000 0.956 40 D HN 0.744 nan 8.370 nan 0.000 0.448 41 E N 0.533 120.716 120.200 -0.028 0.000 2.118 41 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 41 E C 2.001 178.570 176.600 -0.052 0.000 0.992 41 E CA 0.907 57.266 56.400 -0.068 0.000 0.804 41 E CB -0.173 29.498 29.700 -0.048 0.000 0.741 41 E HN 0.459 nan 8.360 nan 0.000 0.458 42 E N -0.152 120.036 120.200 -0.021 0.000 2.150 42 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 42 E C 1.918 178.513 176.600 -0.008 0.000 0.985 42 E CA 0.485 56.874 56.400 -0.019 0.000 0.814 42 E CB -0.054 29.641 29.700 -0.009 0.000 0.752 42 E HN 0.119 nan 8.360 nan 0.000 0.466 43 L N 1.748 122.991 121.223 0.033 0.000 2.007 43 L HA -0.151 4.189 4.340 -0.000 0.000 0.205 43 L C 1.903 178.821 176.870 0.081 0.000 1.073 43 L CA 1.870 56.767 54.840 0.095 0.000 0.744 43 L CB -0.255 41.934 42.059 0.216 0.000 0.898 43 L HN -0.150 nan 8.230 nan 0.000 0.435 44 K N -0.363 120.018 120.400 -0.031 0.000 2.034 44 K HA -0.165 4.155 4.320 -0.000 0.000 0.214 44 K C 1.789 178.360 176.600 -0.049 0.000 1.051 44 K CA 1.521 57.704 56.287 -0.173 0.000 0.931 44 K CB -1.032 31.197 32.500 -0.452 0.000 0.715 44 K HN 0.544 nan 8.250 nan 0.000 0.446 45 G N 1.087 109.850 108.800 -0.061 0.000 2.807 45 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.207 45 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.207 45 G C 1.274 176.141 174.900 -0.055 0.000 1.151 45 G CA 0.279 45.351 45.100 -0.047 0.000 0.800 45 G HN 0.115 nan 8.290 nan 0.000 0.523 46 K N 0.285 120.661 120.400 -0.040 0.000 2.288 46 K HA 0.009 4.329 4.320 -0.000 0.000 0.201 46 K C 2.482 178.980 176.600 -0.169 0.000 1.048 46 K CA 1.181 57.371 56.287 -0.162 0.000 0.956 46 K CB -0.220 32.242 32.500 -0.064 0.000 0.746 46 K HN 0.217 nan 8.250 nan 0.000 0.461 47 T N -0.110 114.523 114.554 0.132 0.000 2.812 47 T HA -0.039 4.310 4.350 -0.000 0.000 0.264 47 T C 1.813 176.594 174.700 0.135 0.000 1.042 47 T CA 1.097 63.375 62.100 0.296 0.000 1.140 47 T CB -0.390 68.644 68.868 0.275 0.000 0.870 47 T HN 0.289 nan 8.240 nan 0.000 0.445 48 A N 1.857 124.702 122.820 0.040 0.000 1.873 48 A HA -0.252 4.067 4.320 -0.000 0.000 0.218 48 A C 2.233 179.814 177.584 -0.006 0.000 1.193 48 A CA 2.265 54.309 52.037 0.011 0.000 0.629 48 A CB -0.869 18.122 19.000 -0.015 0.000 0.826 48 A HN 0.652 nan 8.150 nan 0.000 0.447 49 E N -0.947 119.203 120.200 -0.083 0.000 2.049 49 E HA -0.231 4.119 4.350 -0.000 0.000 0.198 49 E C 1.830 178.403 176.600 -0.045 0.000 1.007 49 E CA 1.619 57.942 56.400 -0.127 0.000 0.809 49 E CB -0.354 29.181 29.700 -0.275 0.000 0.749 49 E HN 0.690 nan 8.360 nan 0.000 0.450 50 F N 0.468 120.446 119.950 0.046 0.000 2.161 50 F HA -0.150 4.376 4.527 -0.001 0.000 0.300 50 F C 2.817 178.624 175.800 0.012 0.000 1.089 50 F CA 1.039 59.065 58.000 0.043 0.000 1.282 50 F CB -0.078 38.965 39.000 0.072 0.000 1.010 50 F HN -0.032 nan 8.300 nan 0.000 0.485 51 R N 0.176 120.789 120.500 0.188 0.000 2.066 51 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 51 R C 2.491 178.828 176.300 0.062 0.000 1.131 51 R CA 1.112 57.266 56.100 0.090 0.000 0.955 51 R CB -0.730 29.601 30.300 0.053 0.000 0.851 51 R HN 0.266 nan 8.270 nan 0.000 0.432 52 A N 1.514 124.364 122.820 0.049 0.000 1.845 52 A HA -0.203 4.117 4.320 -0.000 0.000 0.215 52 A C 2.114 179.722 177.584 0.040 0.000 1.195 52 A CA 1.382 53.437 52.037 0.030 0.000 0.616 52 A CB -0.500 18.507 19.000 0.013 0.000 0.832 52 A HN 0.230 nan 8.150 nan 0.000 0.443 53 R N -0.645 119.892 120.500 0.061 0.000 2.112 53 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 53 R C 2.130 178.469 176.300 0.065 0.000 1.137 53 R CA 1.879 58.022 56.100 0.072 0.000 0.944 53 R CB -0.747 29.628 30.300 0.125 0.000 0.857 53 R HN 0.528 nan 8.270 nan 0.000 0.435 54 L N 0.291 121.559 121.223 0.075 0.000 2.093 54 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 54 L C 2.526 179.412 176.870 0.027 0.000 1.085 54 L CA 1.207 56.075 54.840 0.046 0.000 0.755 54 L CB -0.372 41.710 42.059 0.039 0.000 0.904 54 L HN 0.287 nan 8.230 nan 0.000 0.435 55 E N 0.473 120.688 120.200 0.026 0.000 2.153 55 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 55 E C 1.653 178.260 176.600 0.012 0.000 0.988 55 E CA 0.984 57.392 56.400 0.013 0.000 0.811 55 E CB 0.178 29.886 29.700 0.012 0.000 0.746 55 E HN 0.393 nan 8.360 nan 0.000 0.466 56 K N -0.842 119.568 120.400 0.018 0.000 2.525 56 K HA 0.038 4.358 4.320 -0.000 0.000 0.192 56 K C 0.769 177.377 176.600 0.013 0.000 1.029 56 K CA 0.464 56.760 56.287 0.014 0.000 1.029 56 K CB 0.427 32.938 32.500 0.017 0.000 0.814 56 K HN 0.250 nan 8.250 nan 0.000 0.503 57 G N 2.467 111.275 108.800 0.013 0.000 2.149 57 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.235 57 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.235 57 G C -0.257 174.651 174.900 0.014 0.000 1.018 57 G CA 0.056 45.163 45.100 0.011 0.000 0.728 57 G HN 0.469 nan 8.290 nan 0.000 0.508 58 E N -0.184 120.029 120.200 0.022 0.000 2.373 58 E HA 0.453 4.803 4.350 -0.000 0.000 0.263 58 E C 0.936 177.547 176.600 0.019 0.000 1.073 58 E CA -0.638 55.777 56.400 0.025 0.000 0.894 58 E CB 0.826 30.551 29.700 0.042 0.000 1.008 58 E HN 0.179 nan 8.360 nan 0.000 0.420 59 V N 5.764 125.687 119.914 0.014 0.000 2.599 59 V HA -0.101 4.019 4.120 -0.000 0.000 0.300 59 V C 1.505 177.599 176.094 0.000 0.000 1.034 59 V CA 0.335 62.638 62.300 0.005 0.000 1.115 59 V CB 0.051 31.875 31.823 0.001 0.000 0.934 59 V HN 0.698 nan 8.190 nan 0.000 0.485 60 L N 2.908 124.126 121.223 -0.008 0.000 1.944 60 L HA -0.111 4.229 4.340 -0.000 0.000 0.218 60 L C 1.888 178.738 176.870 -0.034 0.000 1.075 60 L CA 1.849 56.676 54.840 -0.021 0.000 0.767 60 L CB -0.931 41.114 42.059 -0.023 0.000 0.890 60 L HN 0.663 nan 8.230 nan 0.000 0.434 61 E N -0.212 119.966 120.200 -0.037 0.000 2.428 61 E HA -0.149 4.201 4.350 -0.000 0.000 0.199 61 E C 0.877 177.447 176.600 -0.051 0.000 1.172 61 E CA 0.128 56.497 56.400 -0.053 0.000 0.941 61 E CB -0.280 29.389 29.700 -0.051 0.000 1.001 61 E HN 0.612 nan 8.360 nan 0.000 0.501 62 N N -0.302 118.380 118.700 -0.031 0.000 2.432 62 N HA 0.011 4.751 4.740 -0.000 0.000 0.174 62 N C 1.283 176.788 175.510 -0.008 0.000 1.037 62 N CA 0.367 53.407 53.050 -0.016 0.000 0.892 62 N CB 0.288 38.778 38.487 0.005 0.000 1.049 62 N HN 0.214 nan 8.380 nan 0.000 0.442 63 L N -0.360 120.856 121.223 -0.011 0.000 2.848 63 L HA 0.412 4.752 4.340 -0.000 0.000 0.240 63 L C 0.907 177.738 176.870 -0.064 0.000 1.232 63 L CA -0.163 54.678 54.840 0.002 0.000 1.031 63 L CB -0.567 41.513 42.059 0.035 0.000 1.338 63 L HN 0.008 nan 8.230 nan 0.000 0.509 64 I N -1.269 119.245 120.570 -0.093 0.000 2.133 64 I HA -0.009 4.161 4.170 -0.000 0.000 0.238 64 I C -0.187 175.807 176.117 -0.205 0.000 1.074 64 I CA 0.440 61.625 61.300 -0.191 0.000 1.342 64 I CB -2.442 35.347 38.000 -0.352 0.000 1.053 64 I HN 0.143 nan 8.210 nan 0.000 0.404 65 P HA -0.225 nan 4.420 nan 0.000 0.216 65 P C 1.546 178.864 177.300 0.032 0.000 1.150 65 P CA 1.880 64.926 63.100 -0.089 0.000 0.843 65 P CB -0.042 31.622 31.700 -0.059 0.000 0.787 66 E N -0.293 119.953 120.200 0.077 0.000 2.072 66 E HA -0.069 4.280 4.350 -0.000 0.000 0.190 66 E C 2.224 178.969 176.600 0.242 0.000 0.982 66 E CA 0.865 57.377 56.400 0.186 0.000 0.803 66 E CB -0.355 29.513 29.700 0.280 0.000 0.755 66 E HN 0.086 nan 8.360 nan 0.000 0.453 67 A N 0.503 123.374 122.820 0.084 0.000 1.877 67 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 67 A C 1.853 179.523 177.584 0.144 0.000 1.186 67 A CA 1.129 53.142 52.037 -0.039 0.000 0.620 67 A CB -0.781 18.119 19.000 -0.167 0.000 0.822 67 A HN 0.280 nan 8.150 nan 0.000 0.443 68 F N 0.232 120.136 119.950 -0.076 0.000 2.216 68 F HA -0.050 4.477 4.527 -0.000 0.000 0.300 68 F C 2.731 178.449 175.800 -0.137 0.000 1.085 68 F CA 0.435 58.376 58.000 -0.099 0.000 1.326 68 F CB -0.708 38.263 39.000 -0.049 0.000 1.027 68 F HN 0.265 nan 8.300 nan 0.000 0.497 69 A N -0.398 122.497 122.820 0.126 0.000 1.969 69 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 69 A C 2.346 179.919 177.584 -0.017 0.000 1.169 69 A CA 1.673 53.736 52.037 0.042 0.000 0.635 69 A CB -1.049 17.994 19.000 0.071 0.000 0.810 69 A HN 0.172 nan 8.150 nan 0.000 0.445 70 V N -0.408 119.514 119.914 0.013 0.000 2.323 70 V HA -0.193 3.927 4.120 -0.000 0.000 0.244 70 V C 2.533 178.515 176.094 -0.187 0.000 1.041 70 V CA 1.844 64.136 62.300 -0.015 0.000 1.025 70 V CB -0.962 30.938 31.823 0.128 0.000 0.656 70 V HN 0.349 nan 8.190 nan 0.000 0.451 71 V N 0.671 120.381 119.914 -0.339 0.000 2.332 71 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 71 V C 2.585 178.374 176.094 -0.508 0.000 1.055 71 V CA 2.516 64.535 62.300 -0.468 0.000 1.038 71 V CB -0.955 30.548 31.823 -0.534 0.000 0.651 71 V HN 0.555 nan 8.190 nan 0.000 0.450 72 R N 0.081 120.236 120.500 -0.575 0.000 2.080 72 R HA -0.207 4.133 4.340 -0.000 0.000 0.236 72 R C 2.398 178.530 176.300 -0.280 0.000 1.137 72 R CA 1.878 57.631 56.100 -0.578 0.000 0.943 72 R CB -0.329 29.763 30.300 -0.347 0.000 0.846 72 R HN 0.419 nan 8.270 nan 0.000 0.431 73 E N 0.574 120.651 120.200 -0.205 0.000 2.049 73 E HA -0.199 4.151 4.350 -0.000 0.000 0.198 73 E C 1.896 178.357 176.600 -0.231 0.000 1.007 73 E CA 1.666 57.973 56.400 -0.156 0.000 0.809 73 E CB -0.482 29.163 29.700 -0.092 0.000 0.749 73 E HN 0.495 nan 8.360 nan 0.000 0.450 74 A N 0.549 123.193 122.820 -0.292 0.000 1.892 74 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 74 A C 2.467 179.730 177.584 -0.536 0.000 1.188 74 A CA 2.466 54.181 52.037 -0.536 0.000 0.631 74 A CB -0.911 17.831 19.000 -0.430 0.000 0.822 74 A HN 0.310 nan 8.150 nan 0.000 0.447 75 S N -0.574 114.932 115.700 -0.324 0.000 2.353 75 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 75 S C 2.144 176.664 174.600 -0.134 0.000 1.035 75 S CA 2.021 60.127 58.200 -0.156 0.000 1.025 75 S CB -0.363 62.930 63.200 0.155 0.000 0.902 75 S HN 0.601 nan 8.310 nan 0.000 0.440 76 K N 0.001 120.330 120.400 -0.118 0.000 2.113 76 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 76 K C 2.400 178.917 176.600 -0.139 0.000 1.047 76 K CA 1.398 57.630 56.287 -0.093 0.000 0.928 76 K CB -0.083 32.366 32.500 -0.085 0.000 0.716 76 K HN 0.287 nan 8.250 nan 0.000 0.446 77 R N -0.452 119.905 120.500 -0.239 0.000 2.062 77 R HA -0.016 4.324 4.340 -0.000 0.000 0.226 77 R C 2.274 178.382 176.300 -0.320 0.000 1.125 77 R CA 1.079 57.018 56.100 -0.268 0.000 0.966 77 R CB -0.042 30.050 30.300 -0.346 0.000 0.861 77 R HN 0.002 nan 8.270 nan 0.000 0.433 78 V N -0.225 119.383 119.914 -0.511 0.000 2.323 78 V HA -0.135 3.985 4.120 -0.000 0.000 0.244 78 V C 1.623 177.441 176.094 -0.461 0.000 1.041 78 V CA 1.720 63.673 62.300 -0.578 0.000 1.025 78 V CB -0.311 30.967 31.823 -0.910 0.000 0.656 78 V HN 0.228 nan 8.190 nan 0.000 0.451 79 F N -0.061 119.794 119.950 -0.158 0.000 2.622 79 F HA 0.464 4.990 4.527 -0.001 0.000 0.288 79 F C 1.775 177.510 175.800 -0.109 0.000 1.120 79 F CA 0.602 58.524 58.000 -0.130 0.000 1.423 79 F CB 0.156 39.067 39.000 -0.148 0.000 1.127 79 F HN 0.271 nan 8.300 nan 0.000 0.588 80 G N 1.713 110.537 108.800 0.039 0.000 2.248 80 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 80 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 80 G C -0.352 174.555 174.900 0.012 0.000 1.085 80 G CA -0.278 44.827 45.100 0.007 0.000 0.845 80 G HN 0.247 nan 8.290 nan 0.000 0.494 81 M N -0.045 119.566 119.600 0.018 0.000 2.106 81 M HA 0.363 4.843 4.480 -0.000 0.000 0.288 81 M C 0.200 176.473 176.300 -0.046 0.000 0.941 81 M CA -0.651 54.618 55.300 -0.052 0.000 0.934 81 M CB 1.982 34.528 32.600 -0.089 0.000 1.551 81 M HN 0.250 nan 8.290 nan 0.000 0.437 82 R N 3.291 123.732 120.500 -0.097 0.000 2.216 82 R HA 0.273 4.613 4.340 -0.000 0.000 0.332 82 R C -0.590 175.630 176.300 -0.134 0.000 1.056 82 R CA -0.366 55.703 56.100 -0.052 0.000 0.901 82 R CB 0.546 30.825 30.300 -0.034 0.000 1.039 82 R HN 0.692 nan 8.270 nan 0.000 0.456 83 H N 5.025 123.952 119.070 -0.238 0.000 3.157 83 H HA -0.095 4.460 4.556 -0.000 0.000 0.299 83 H C -0.070 175.170 175.328 -0.146 0.000 0.961 83 H CA 0.254 56.155 56.048 -0.245 0.000 1.428 83 H CB 0.261 29.956 29.762 -0.111 0.000 1.459 83 H HN 0.409 nan 8.280 nan 0.000 0.566 84 F N 2.738 122.749 119.950 0.101 0.000 2.563 84 F HA -0.132 4.395 4.527 -0.000 0.000 0.363 84 F C 1.835 177.690 175.800 0.092 0.000 1.123 84 F CA -0.772 57.271 58.000 0.072 0.000 1.307 84 F CB 0.557 39.581 39.000 0.038 0.000 1.115 84 F HN 0.658 nan 8.300 nan 0.000 0.592 85 D N 1.183 121.750 120.400 0.279 0.000 2.182 85 D HA -0.188 4.452 4.640 -0.000 0.000 0.201 85 D C 2.049 178.455 176.300 0.177 0.000 0.986 85 D CA 1.307 55.419 54.000 0.186 0.000 0.847 85 D CB -1.145 39.732 40.800 0.129 0.000 0.942 85 D HN 0.374 nan 8.370 nan 0.000 0.467 86 V N 0.097 120.118 119.914 0.178 0.000 2.490 86 V HA -0.295 3.825 4.120 -0.000 0.000 0.250 86 V C 2.212 178.403 176.094 0.162 0.000 1.061 86 V CA 1.981 64.362 62.300 0.135 0.000 1.064 86 V CB -0.467 31.408 31.823 0.087 0.000 0.670 86 V HN 0.136 nan 8.190 nan 0.000 0.461 87 Q N -0.496 119.435 119.800 0.219 0.000 2.119 87 Q HA -0.103 4.236 4.340 -0.000 0.000 0.201 87 Q C 2.252 178.370 176.000 0.198 0.000 0.972 87 Q CA 2.010 57.917 55.803 0.174 0.000 0.847 87 Q CB -0.200 28.610 28.738 0.120 0.000 0.903 87 Q HN 0.646 nan 8.270 nan 0.000 0.433 88 L N -0.051 121.318 121.223 0.244 0.000 2.083 88 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 88 L C 2.239 179.273 176.870 0.273 0.000 1.083 88 L CA 0.441 55.480 54.840 0.331 0.000 0.752 88 L CB -0.365 41.862 42.059 0.279 0.000 0.899 88 L HN 0.260 nan 8.230 nan 0.000 0.433 89 L N 0.279 121.606 121.223 0.172 0.000 1.989 89 L HA -0.152 4.188 4.340 -0.000 0.000 0.211 89 L C 2.469 179.417 176.870 0.130 0.000 1.071 89 L CA 2.247 57.157 54.840 0.117 0.000 0.749 89 L CB -1.304 40.808 42.059 0.088 0.000 0.890 89 L HN 0.199 nan 8.230 nan 0.000 0.431 90 G N -1.533 107.348 108.800 0.135 0.000 2.446 90 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 90 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 90 G C 1.554 176.548 174.900 0.156 0.000 1.168 90 G CA 0.742 45.911 45.100 0.116 0.000 0.771 90 G HN 0.596 nan 8.290 nan 0.000 0.551 91 G N 0.899 109.843 108.800 0.240 0.000 2.514 91 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 91 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 91 G C 1.891 177.030 174.900 0.399 0.000 1.198 91 G CA 1.275 46.575 45.100 0.332 0.000 0.780 91 G HN 0.402 nan 8.290 nan 0.000 0.565 92 M N -0.097 119.728 119.600 0.375 0.000 2.088 92 M HA -0.181 4.298 4.480 -0.000 0.000 0.256 92 M C 2.718 179.076 176.300 0.098 0.000 1.071 92 M CA 1.619 56.993 55.300 0.122 0.000 1.097 92 M CB -0.574 32.014 32.600 -0.020 0.000 1.315 92 M HN 0.155 nan 8.290 nan 0.000 0.406 93 V N 0.459 120.427 119.914 0.090 0.000 2.392 93 V HA -0.263 3.857 4.120 -0.000 0.000 0.249 93 V C 2.132 178.264 176.094 0.062 0.000 1.059 93 V CA 1.604 63.938 62.300 0.057 0.000 1.051 93 V CB -0.855 30.995 31.823 0.046 0.000 0.658 93 V HN 0.506 nan 8.190 nan 0.000 0.455 94 L N 0.496 121.777 121.223 0.096 0.000 2.633 94 L HA -0.051 4.289 4.340 -0.000 0.000 0.235 94 L C 1.908 178.878 176.870 0.167 0.000 1.163 94 L CA 1.089 55.994 54.840 0.109 0.000 0.859 94 L CB -0.549 41.585 42.059 0.126 0.000 0.973 94 L HN 0.437 nan 8.230 nan 0.000 0.451 95 N N -0.123 118.649 118.700 0.119 0.000 2.205 95 N HA -0.030 4.710 4.740 -0.000 0.000 0.201 95 N C 0.703 176.223 175.510 0.018 0.000 1.128 95 N CA 0.165 53.245 53.050 0.051 0.000 0.867 95 N CB 0.490 39.006 38.487 0.048 0.000 0.996 95 N HN 0.244 nan 8.380 nan 0.000 0.503 96 E N 0.095 120.316 120.200 0.036 0.000 2.651 96 E HA 0.159 4.509 4.350 -0.000 0.000 0.208 96 E C -0.541 176.069 176.600 0.017 0.000 0.997 96 E CA -0.290 56.119 56.400 0.016 0.000 1.020 96 E CB 0.382 30.087 29.700 0.008 0.000 1.052 96 E HN 0.203 nan 8.360 nan 0.000 0.465 97 R N 0.189 120.705 120.500 0.027 0.000 3.336 97 R HA -0.189 4.151 4.340 -0.000 0.000 0.260 97 R C -1.323 174.965 176.300 -0.020 0.000 1.032 97 R CA 0.311 56.412 56.100 0.003 0.000 0.693 97 R CB -2.191 28.116 30.300 0.012 0.000 1.134 97 R HN 0.314 nan 8.270 nan 0.000 0.433 98 C N 0.490 119.772 119.300 -0.029 0.000 2.822 98 C HA 0.696 5.156 4.460 -0.000 0.000 0.341 98 C C -0.090 174.842 174.990 -0.098 0.000 1.301 98 C CA -0.950 58.044 59.018 -0.040 0.000 1.706 98 C CB 1.628 29.364 27.740 -0.006 0.000 2.178 98 C HN 0.434 nan 8.230 nan 0.000 0.481 99 I N 2.485 122.997 120.570 -0.096 0.000 2.390 99 I HA 0.336 4.505 4.170 -0.000 0.000 0.283 99 I C 0.434 176.519 176.117 -0.054 0.000 1.016 99 I CA -0.177 61.032 61.300 -0.152 0.000 1.151 99 I CB 0.500 38.370 38.000 -0.217 0.000 1.293 99 I HN 0.758 nan 8.210 nan 0.000 0.458 100 A N 6.116 128.908 122.820 -0.047 0.000 2.350 100 A HA 0.263 4.582 4.320 -0.000 0.000 0.293 100 A C 0.430 178.015 177.584 0.001 0.000 1.231 100 A CA -0.390 51.645 52.037 -0.004 0.000 0.883 100 A CB 0.020 19.027 19.000 0.011 0.000 1.133 100 A HN 0.728 nan 8.150 nan 0.000 0.533 101 E N 3.630 123.844 120.200 0.023 0.000 2.152 101 E HA 0.468 4.818 4.350 -0.000 0.000 0.285 101 E C -0.852 175.764 176.600 0.028 0.000 1.043 101 E CA -0.083 56.336 56.400 0.031 0.000 0.839 101 E CB 0.375 30.106 29.700 0.051 0.000 1.069 101 E HN 0.679 nan 8.360 nan 0.000 0.399 102 M N 4.402 124.015 119.600 0.022 0.000 2.267 102 M HA 0.413 4.893 4.480 -0.000 0.000 0.289 102 M C -0.322 175.990 176.300 0.020 0.000 1.043 102 M CA -1.018 54.296 55.300 0.024 0.000 0.928 102 M CB 1.978 34.593 32.600 0.026 0.000 1.613 102 M HN 0.285 nan 8.290 nan 0.000 0.450 103 R N 1.100 121.612 120.500 0.020 0.000 2.756 103 R HA 0.129 4.469 4.340 -0.000 0.000 0.264 103 R C -0.109 176.201 176.300 0.017 0.000 1.026 103 R CA 0.294 56.405 56.100 0.018 0.000 1.121 103 R CB 0.111 30.421 30.300 0.017 0.000 0.999 103 R HN 0.622 nan 8.270 nan 0.000 0.449 104 T N 1.342 115.905 114.554 0.016 0.000 2.866 104 T HA 0.163 4.513 4.350 -0.000 0.000 0.293 104 T C 1.269 175.980 174.700 0.019 0.000 1.005 104 T CA 1.511 63.619 62.100 0.014 0.000 1.162 104 T CB 0.297 69.174 68.868 0.015 0.000 0.968 104 T HN 0.732 nan 8.240 nan 0.000 0.530 105 G N 3.295 112.106 108.800 0.019 0.000 2.194 105 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 105 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 105 G C 0.867 175.793 174.900 0.043 0.000 0.987 105 G CA 0.109 45.227 45.100 0.029 0.000 0.635 105 G HN 0.649 nan 8.290 nan 0.000 0.520 106 E N 0.548 120.771 120.200 0.038 0.000 2.418 106 E HA 0.212 4.562 4.350 -0.000 0.000 0.197 106 E C 1.835 178.488 176.600 0.088 0.000 1.026 106 E CA 1.284 57.721 56.400 0.062 0.000 0.862 106 E CB -0.313 29.413 29.700 0.043 0.000 0.799 106 E HN 1.673 nan 8.360 nan 0.000 0.518 107 G N 1.908 110.729 108.800 0.034 0.000 2.207 107 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.216 107 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.216 107 G C 0.711 175.580 174.900 -0.052 0.000 1.053 107 G CA 0.415 45.504 45.100 -0.019 0.000 0.764 107 G HN 0.229 nan 8.290 nan 0.000 0.495 108 K N -0.551 119.829 120.400 -0.034 0.000 2.063 108 K HA -0.095 4.225 4.320 -0.000 0.000 0.208 108 K C 2.598 179.167 176.600 -0.051 0.000 1.048 108 K CA 1.845 58.112 56.287 -0.033 0.000 0.928 108 K CB -0.255 32.230 32.500 -0.025 0.000 0.713 108 K HN 0.381 nan 8.250 nan 0.000 0.442 109 T N 1.777 116.287 114.554 -0.074 0.000 2.699 109 T HA -0.155 4.195 4.350 -0.000 0.000 0.268 109 T C 1.652 176.281 174.700 -0.118 0.000 1.036 109 T CA 1.212 63.259 62.100 -0.087 0.000 1.147 109 T CB -0.131 68.654 68.868 -0.138 0.000 0.862 109 T HN 0.079 nan 8.240 nan 0.000 0.446 110 L N 0.616 121.722 121.223 -0.195 0.000 2.375 110 L HA 0.184 4.524 4.340 -0.000 0.000 0.215 110 L C 2.303 179.006 176.870 -0.277 0.000 1.108 110 L CA 1.378 56.042 54.840 -0.293 0.000 0.830 110 L CB -0.829 40.967 42.059 -0.438 0.000 0.959 110 L HN 0.118 nan 8.230 nan 0.000 0.457 111 T N -0.357 114.090 114.554 -0.178 0.000 2.962 111 T HA -0.025 4.325 4.350 -0.000 0.000 0.270 111 T C 1.782 176.467 174.700 -0.025 0.000 1.088 111 T CA 1.001 63.046 62.100 -0.092 0.000 1.127 111 T CB -0.189 68.664 68.868 -0.026 0.000 0.883 111 T HN 0.447 nan 8.240 nan 0.000 0.493 112 A N 1.701 124.522 122.820 0.002 0.000 2.072 112 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 112 A C 2.554 180.226 177.584 0.147 0.000 1.156 112 A CA 1.534 53.615 52.037 0.073 0.000 0.701 112 A CB -0.932 18.122 19.000 0.090 0.000 0.816 112 A HN 0.582 nan 8.150 nan 0.000 0.458 113 T N -1.103 113.522 114.554 0.118 0.000 2.881 113 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 113 T C 1.767 176.566 174.700 0.165 0.000 1.068 113 T CA 1.381 63.595 62.100 0.190 0.000 1.131 113 T CB -0.601 68.187 68.868 -0.134 0.000 0.871 113 T HN 0.321 nan 8.240 nan 0.000 0.479 114 L N 1.573 122.765 121.223 -0.052 0.000 1.950 114 L HA 0.036 4.376 4.340 -0.000 0.000 0.210 114 L C 0.104 176.800 176.870 -0.290 0.000 1.079 114 L CA 1.472 56.045 54.840 -0.444 0.000 0.754 114 L CB -1.774 39.760 42.059 -0.875 0.000 0.889 114 L HN 0.215 nan 8.230 nan 0.000 0.433 115 P HA -0.126 nan 4.420 nan 0.000 0.226 115 P C 1.060 178.436 177.300 0.126 0.000 1.153 115 P CA 1.618 64.771 63.100 0.090 0.000 0.777 115 P CB 0.089 31.905 31.700 0.194 0.000 0.794 116 A N -1.446 121.500 122.820 0.209 0.000 2.067 116 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 116 A C 2.141 179.816 177.584 0.151 0.000 1.156 116 A CA 0.629 52.796 52.037 0.217 0.000 0.683 116 A CB -1.373 17.776 19.000 0.248 0.000 0.808 116 A HN 0.150 nan 8.150 nan 0.000 0.455 117 Y N -0.486 119.885 120.300 0.118 0.000 2.301 117 Y HA 0.057 4.607 4.550 0.000 0.000 0.295 117 Y C 1.870 177.772 175.900 0.003 0.000 1.119 117 Y CA 1.245 59.413 58.100 0.113 0.000 1.162 117 Y CB -0.223 38.326 38.460 0.149 0.000 1.046 117 Y HN 0.208 nan 8.280 nan 0.000 0.538 118 L N 1.175 122.462 121.223 0.106 0.000 1.989 118 L HA -0.269 4.071 4.340 -0.000 0.000 0.211 118 L C 1.868 178.650 176.870 -0.146 0.000 1.071 118 L CA 2.229 57.061 54.840 -0.013 0.000 0.749 118 L CB -1.019 41.112 42.059 0.120 0.000 0.890 118 L HN 0.286 nan 8.230 nan 0.000 0.431 119 N N -0.210 118.389 118.700 -0.168 0.000 2.270 119 N HA -0.046 4.693 4.740 -0.000 0.000 0.181 119 N C 1.401 176.853 175.510 -0.097 0.000 1.016 119 N CA 1.101 54.034 53.050 -0.196 0.000 0.870 119 N CB -0.189 38.018 38.487 -0.466 0.000 0.979 119 N HN 0.468 nan 8.380 nan 0.000 0.431 120 A N 0.708 123.445 122.820 -0.138 0.000 2.236 120 A HA 0.115 4.435 4.320 -0.000 0.000 0.214 120 A C 1.768 179.237 177.584 -0.192 0.000 1.287 120 A CA 0.232 52.178 52.037 -0.152 0.000 0.909 120 A CB -0.558 18.306 19.000 -0.226 0.000 0.839 120 A HN 0.182 nan 8.150 nan 0.000 0.486 121 L N -1.640 119.473 121.223 -0.183 0.000 2.388 121 L HA -0.009 4.330 4.340 -0.000 0.000 0.209 121 L C 2.810 179.633 176.870 -0.078 0.000 1.061 121 L CA 1.203 55.944 54.840 -0.165 0.000 0.834 121 L CB -0.473 41.466 42.059 -0.200 0.000 1.029 121 L HN 0.545 nan 8.230 nan 0.000 0.473 122 T N -2.444 112.078 114.554 -0.054 0.000 2.929 122 T HA -0.048 4.302 4.350 -0.000 0.000 0.271 122 T C 1.575 176.242 174.700 -0.055 0.000 1.085 122 T CA 1.273 63.346 62.100 -0.045 0.000 1.125 122 T CB -0.046 68.796 68.868 -0.043 0.000 0.874 122 T HN 0.524 nan 8.240 nan 0.000 0.494 123 G N 1.053 109.823 108.800 -0.049 0.000 2.213 123 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 123 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 123 G C 0.836 175.713 174.900 -0.039 0.000 0.991 123 G CA 0.344 45.419 45.100 -0.042 0.000 0.629 123 G HN 0.572 nan 8.290 nan 0.000 0.517 124 K N 0.779 121.135 120.400 -0.073 0.000 2.439 124 K HA 0.412 4.732 4.320 -0.000 0.000 0.197 124 K C 1.432 178.080 176.600 0.081 0.000 1.041 124 K CA 0.726 56.959 56.287 -0.090 0.000 0.970 124 K CB -0.045 32.170 32.500 -0.476 0.000 0.773 124 K HN 1.603 nan 8.250 nan 0.000 0.479 125 G N 0.102 108.959 108.800 0.094 0.000 2.699 125 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.686 125 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.686 125 G C -1.081 173.886 174.900 0.113 0.000 1.301 125 G CA -0.966 44.168 45.100 0.058 0.000 0.816 125 G HN -0.021 nan 8.290 nan 0.000 0.595 126 V N 2.225 122.083 119.914 -0.092 0.000 2.733 126 V HA 0.536 4.656 4.120 -0.000 0.000 0.306 126 V C -0.541 175.355 176.094 -0.329 0.000 1.084 126 V CA -0.965 61.308 62.300 -0.045 0.000 0.905 126 V CB 2.104 33.928 31.823 0.002 0.000 1.010 126 V HN 0.862 nan 8.190 nan 0.000 0.424 127 H N 3.494 122.487 119.070 -0.128 0.000 2.690 127 H HA 0.400 4.955 4.556 -0.001 0.000 0.280 127 H C -0.683 174.383 175.328 -0.437 0.000 1.138 127 H CA -0.368 55.518 56.048 -0.270 0.000 1.241 127 H CB 1.834 31.413 29.762 -0.306 0.000 1.394 127 H HN 0.367 nan 8.280 nan 0.000 0.489 128 V N 5.038 124.743 119.914 -0.348 0.000 2.408 128 V HA 0.062 4.182 4.120 -0.000 0.000 0.267 128 V C 0.588 176.646 176.094 -0.061 0.000 1.047 128 V CA -0.542 61.567 62.300 -0.319 0.000 0.937 128 V CB 1.161 32.651 31.823 -0.555 0.000 0.999 128 V HN 0.391 nan 8.190 nan 0.000 0.472 129 V N 5.024 124.896 119.914 -0.070 0.000 2.481 129 V HA 0.605 4.724 4.120 -0.000 0.000 0.286 129 V C 0.390 176.528 176.094 0.073 0.000 1.042 129 V CA -0.242 62.113 62.300 0.091 0.000 0.928 129 V CB 1.724 33.520 31.823 -0.044 0.000 0.986 129 V HN 0.989 nan 8.190 nan 0.000 0.462 130 T N 1.418 116.053 114.554 0.134 0.000 2.916 130 T HA 0.388 4.738 4.350 -0.000 0.000 0.292 130 T C 1.100 175.818 174.700 0.029 0.000 1.064 130 T CA -0.169 61.964 62.100 0.054 0.000 1.011 130 T CB 1.774 70.671 68.868 0.049 0.000 1.152 130 T HN 0.534 nan 8.240 nan 0.000 0.510 131 V N -1.081 118.824 119.914 -0.014 0.000 2.626 131 V HA 0.047 4.167 4.120 -0.000 0.000 0.252 131 V C 0.508 176.584 176.094 -0.030 0.000 1.067 131 V CA 1.337 63.620 62.300 -0.027 0.000 1.081 131 V CB -1.584 30.210 31.823 -0.048 0.000 0.686 131 V HN 0.983 nan 8.190 nan 0.000 0.468 132 N N -2.513 116.161 118.700 -0.043 0.000 2.708 132 N HA 0.276 5.016 4.740 -0.000 0.000 0.257 132 N C -0.210 175.299 175.510 -0.002 0.000 1.373 132 N CA -0.252 52.775 53.050 -0.038 0.000 0.843 132 N CB 0.896 39.274 38.487 -0.182 0.000 1.503 132 N HN -0.152 nan 8.380 nan 0.000 0.504 133 D N -0.372 120.054 120.400 0.043 0.000 2.116 133 D HA -0.194 4.445 4.640 -0.000 0.000 0.193 133 D C 1.226 177.545 176.300 0.032 0.000 0.998 133 D CA 1.676 55.700 54.000 0.040 0.000 0.836 133 D CB -0.417 40.419 40.800 0.061 0.000 0.951 133 D HN 0.629 nan 8.370 nan 0.000 0.449 134 Y N 1.284 121.579 120.300 -0.008 0.000 2.097 134 Y HA -0.228 4.322 4.550 0.000 0.000 0.282 134 Y C 2.054 177.923 175.900 -0.052 0.000 1.152 134 Y CA 1.314 59.407 58.100 -0.013 0.000 1.136 134 Y CB -0.425 38.053 38.460 0.031 0.000 0.975 134 Y HN -0.102 nan 8.280 nan 0.000 0.498 135 L N 0.429 121.473 121.223 -0.298 0.000 1.994 135 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 135 L C 2.812 179.498 176.870 -0.307 0.000 1.071 135 L CA 2.023 56.643 54.840 -0.368 0.000 0.745 135 L CB -2.183 39.799 42.059 -0.129 0.000 0.892 135 L HN 0.471 nan 8.230 nan 0.000 0.431 136 A N -0.848 121.879 122.820 -0.154 0.000 1.884 136 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 136 A C 2.310 179.779 177.584 -0.192 0.000 1.197 136 A CA 2.273 54.265 52.037 -0.074 0.000 0.637 136 A CB -0.714 18.301 19.000 0.025 0.000 0.827 136 A HN 0.549 nan 8.150 nan 0.000 0.450 137 Q N -1.165 118.521 119.800 -0.190 0.000 2.016 137 Q HA -0.204 4.136 4.340 -0.000 0.000 0.200 137 Q C 2.452 178.276 176.000 -0.294 0.000 0.978 137 Q CA 1.304 56.991 55.803 -0.193 0.000 0.833 137 Q CB -0.253 28.410 28.738 -0.125 0.000 0.895 137 Q HN 0.599 nan 8.270 nan 0.000 0.427 138 R N 0.745 120.994 120.500 -0.419 0.000 2.113 138 R HA -0.219 4.121 4.340 -0.000 0.000 0.244 138 R C 1.340 177.408 176.300 -0.387 0.000 1.142 138 R CA 2.285 58.107 56.100 -0.463 0.000 0.953 138 R CB -0.589 29.216 30.300 -0.825 0.000 0.860 138 R HN 0.356 nan 8.270 nan 0.000 0.438 139 D N 0.082 120.215 120.400 -0.445 0.000 2.095 139 D HA -0.125 4.515 4.640 -0.000 0.000 0.192 139 D C 1.888 177.833 176.300 -0.590 0.000 0.990 139 D CA 1.919 55.623 54.000 -0.494 0.000 0.836 139 D CB -0.700 39.777 40.800 -0.537 0.000 0.979 139 D HN 0.351 nan 8.370 nan 0.000 0.447 140 A N 1.171 123.455 122.820 -0.893 0.000 1.881 140 A HA -0.337 3.983 4.320 -0.000 0.000 0.219 140 A C 2.057 179.529 177.584 -0.187 0.000 1.215 140 A CA 2.464 54.152 52.037 -0.582 0.000 0.648 140 A CB -1.004 17.827 19.000 -0.281 0.000 0.832 140 A HN 0.323 nan 8.150 nan 0.000 0.455 141 E N -0.132 119.962 120.200 -0.176 0.000 2.063 141 E HA -0.274 4.076 4.350 -0.000 0.000 0.221 141 E C 0.904 177.472 176.600 -0.053 0.000 1.052 141 E CA 1.730 58.076 56.400 -0.090 0.000 0.891 141 E CB -0.317 29.314 29.700 -0.116 0.000 0.792 141 E HN 0.895 nan 8.360 nan 0.000 0.482 142 N N -0.020 118.613 118.700 -0.111 0.000 2.466 142 N HA 0.017 4.757 4.740 -0.000 0.000 0.251 142 N C -0.057 175.381 175.510 -0.120 0.000 1.164 142 N CA 0.237 53.236 53.050 -0.086 0.000 0.888 142 N CB 0.443 38.838 38.487 -0.152 0.000 1.177 142 N HN 0.037 nan 8.380 nan 0.000 0.498 143 N N -0.457 118.235 118.700 -0.013 0.000 2.067 143 N HA 0.156 4.896 4.740 -0.000 0.000 0.227 143 N C 1.146 176.775 175.510 0.198 0.000 1.348 143 N CA -0.148 52.917 53.050 0.025 0.000 0.879 143 N CB 0.360 38.811 38.487 -0.061 0.000 1.109 143 N HN 0.174 nan 8.380 nan 0.000 0.501 144 R N 1.202 121.835 120.500 0.222 0.000 2.061 144 R HA 0.032 4.372 4.340 -0.000 0.000 0.230 144 R C -1.008 175.426 176.300 0.224 0.000 1.140 144 R CA 1.595 57.863 56.100 0.280 0.000 0.940 144 R CB -0.917 29.495 30.300 0.187 0.000 0.839 144 R HN 0.105 nan 8.270 nan 0.000 0.429 145 P HA -0.225 nan 4.420 nan 0.000 0.218 145 P C 1.372 178.619 177.300 -0.089 0.000 1.152 145 P CA 1.335 64.447 63.100 0.020 0.000 0.857 145 P CB -0.128 31.543 31.700 -0.049 0.000 0.787 146 L N -2.421 118.670 121.223 -0.220 0.000 2.056 146 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 146 L C 2.211 179.078 176.870 -0.005 0.000 1.078 146 L CA 1.564 56.212 54.840 -0.320 0.000 0.749 146 L CB -0.466 41.401 42.059 -0.320 0.000 0.901 146 L HN -0.063 nan 8.230 nan 0.000 0.433 147 F N 0.248 120.292 119.950 0.157 0.000 2.206 147 F HA -0.167 4.360 4.527 0.000 0.000 0.298 147 F C 2.484 178.389 175.800 0.174 0.000 1.090 147 F CA 0.801 58.917 58.000 0.193 0.000 1.323 147 F CB 0.048 39.164 39.000 0.194 0.000 1.028 147 F HN 0.133 nan 8.300 nan 0.000 0.492 148 E N -0.155 120.239 120.200 0.325 0.000 2.152 148 E HA -0.194 4.156 4.350 -0.000 0.000 0.192 148 E C 1.834 178.542 176.600 0.180 0.000 0.983 148 E CA 0.855 57.379 56.400 0.208 0.000 0.818 148 E CB -0.271 29.518 29.700 0.148 0.000 0.758 148 E HN 0.409 nan 8.360 nan 0.000 0.467 149 F N 1.633 121.616 119.950 0.055 0.000 2.031 149 F HA -0.151 4.376 4.527 -0.000 0.000 0.295 149 F C 1.860 177.699 175.800 0.065 0.000 1.133 149 F CA 1.286 59.294 58.000 0.014 0.000 1.188 149 F CB -0.136 38.825 39.000 -0.066 0.000 0.974 149 F HN -0.126 nan 8.300 nan 0.000 0.473 150 L N 0.756 122.230 121.223 0.418 0.000 2.721 150 L HA 0.017 4.357 4.340 -0.000 0.000 0.241 150 L C 1.165 178.193 176.870 0.263 0.000 1.168 150 L CA 0.726 55.789 54.840 0.373 0.000 0.866 150 L CB -1.586 40.786 42.059 0.522 0.000 0.996 150 L HN 0.590 nan 8.230 nan 0.000 0.451 151 G N 0.585 109.472 108.800 0.144 0.000 2.298 151 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.287 151 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.287 151 G C -0.277 174.690 174.900 0.113 0.000 1.075 151 G CA -0.048 45.106 45.100 0.090 0.000 0.960 151 G HN 0.276 nan 8.290 nan 0.000 0.502 152 L N -0.419 120.895 121.223 0.152 0.000 2.333 152 L HA 0.767 5.107 4.340 -0.000 0.000 0.263 152 L C 0.571 177.489 176.870 0.079 0.000 1.014 152 L CA -0.959 53.936 54.840 0.091 0.000 0.820 152 L CB 2.421 44.528 42.059 0.080 0.000 1.352 152 L HN 0.269 nan 8.230 nan 0.000 0.421 153 T N -0.411 114.155 114.554 0.020 0.000 2.859 153 T HA 0.663 5.013 4.350 -0.000 0.000 0.281 153 T C -0.477 174.222 174.700 -0.001 0.000 1.005 153 T CA -0.707 61.411 62.100 0.030 0.000 1.025 153 T CB 2.037 70.918 68.868 0.022 0.000 0.977 153 T HN 0.188 nan 8.240 nan 0.000 0.458 154 V N 1.645 121.591 119.914 0.053 0.000 2.448 154 V HA 0.780 4.900 4.120 -0.000 0.000 0.295 154 V C 0.639 176.778 176.094 0.076 0.000 1.025 154 V CA -0.755 61.590 62.300 0.074 0.000 0.859 154 V CB 1.495 33.441 31.823 0.205 0.000 0.988 154 V HN 1.195 nan 8.190 nan 0.000 0.431 155 G N 3.901 112.732 108.800 0.051 0.000 2.432 155 G HA2 0.806 4.766 3.960 -0.000 0.000 0.331 155 G HA3 0.806 4.766 3.960 -0.000 0.000 0.331 155 G C -0.982 173.949 174.900 0.052 0.000 1.170 155 G CA -0.688 44.430 45.100 0.030 0.000 0.943 155 G HN 0.638 nan 8.290 nan 0.000 0.483 156 I N 1.389 121.969 120.570 0.016 0.000 2.411 156 I HA 0.197 4.366 4.170 -0.000 0.000 0.284 156 I C -0.749 175.327 176.117 -0.069 0.000 1.012 156 I CA -0.908 60.397 61.300 0.008 0.000 1.119 156 I CB 1.976 39.981 38.000 0.007 0.000 1.261 156 I HN 0.322 nan 8.210 nan 0.000 0.448 157 N N 7.685 126.292 118.700 -0.155 0.000 2.419 157 N HA 0.616 5.356 4.740 -0.000 0.000 0.264 157 N C -1.347 174.065 175.510 -0.164 0.000 1.031 157 N CA 0.011 52.923 53.050 -0.230 0.000 0.951 157 N CB 0.819 39.004 38.487 -0.503 0.000 1.101 157 N HN 0.517 nan 8.380 nan 0.000 0.488 158 L N 4.534 125.711 121.223 -0.077 0.000 2.309 158 L HA 0.548 4.887 4.340 -0.000 0.000 0.261 158 L C -1.472 175.398 176.870 -0.001 0.000 1.021 158 L CA -2.208 52.610 54.840 -0.038 0.000 0.823 158 L CB 2.154 44.202 42.059 -0.019 0.000 1.366 158 L HN 0.397 nan 8.230 nan 0.000 0.423 159 P HA -0.161 nan 4.420 nan 0.000 0.215 159 P C 0.950 178.263 177.300 0.021 0.000 1.163 159 P CA 1.331 64.450 63.100 0.031 0.000 0.894 159 P CB 0.164 31.881 31.700 0.028 0.000 0.791 160 G N -1.670 107.138 108.800 0.013 0.000 3.440 160 G HA2 0.192 4.152 3.960 -0.000 0.000 0.263 160 G HA3 0.192 4.152 3.960 -0.000 0.000 0.263 160 G C 0.181 175.093 174.900 0.019 0.000 1.236 160 G CA -0.184 44.923 45.100 0.011 0.000 0.927 160 G HN 0.182 nan 8.290 nan 0.000 0.530 161 M N 1.389 121.007 119.600 0.029 0.000 2.120 161 M HA 0.240 4.719 4.480 -0.000 0.000 0.354 161 M C -2.242 174.087 176.300 0.048 0.000 1.287 161 M CA -1.562 53.760 55.300 0.036 0.000 1.103 161 M CB 1.187 33.810 32.600 0.039 0.000 1.623 161 M HN -0.155 nan 8.290 nan 0.000 0.471 162 P HA -0.026 nan 4.420 nan 0.000 0.269 162 P C 0.229 177.568 177.300 0.065 0.000 1.211 162 P CA 0.163 63.291 63.100 0.047 0.000 0.781 162 P CB 0.580 32.301 31.700 0.035 0.000 0.877 163 A N 4.363 127.224 122.820 0.069 0.000 1.903 163 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 163 A C -0.451 177.181 177.584 0.081 0.000 1.191 163 A CA 2.127 54.213 52.037 0.083 0.000 0.638 163 A CB -2.524 16.524 19.000 0.079 0.000 0.823 163 A HN 0.513 nan 8.150 nan 0.000 0.451 164 P HA -0.227 nan 4.420 nan 0.000 0.214 164 P C 1.874 179.215 177.300 0.067 0.000 1.169 164 P CA 2.303 65.435 63.100 0.053 0.000 0.908 164 P CB -0.231 31.491 31.700 0.036 0.000 0.791 165 A N -0.140 122.717 122.820 0.062 0.000 1.892 165 A HA -0.285 4.035 4.320 -0.000 0.000 0.218 165 A C 2.102 179.742 177.584 0.093 0.000 1.188 165 A CA 2.169 54.243 52.037 0.063 0.000 0.631 165 A CB -1.257 17.773 19.000 0.048 0.000 0.822 165 A HN 0.165 nan 8.150 nan 0.000 0.447 166 K N -0.784 119.693 120.400 0.129 0.000 2.147 166 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 166 K C 2.225 179.019 176.600 0.324 0.000 1.049 166 K CA 1.254 57.678 56.287 0.228 0.000 0.936 166 K CB -0.192 32.468 32.500 0.267 0.000 0.722 166 K HN 0.457 nan 8.250 nan 0.000 0.446 167 R N 0.785 121.409 120.500 0.207 0.000 2.092 167 R HA -0.089 4.250 4.340 -0.000 0.000 0.231 167 R C 2.128 178.536 176.300 0.181 0.000 1.119 167 R CA 0.896 57.108 56.100 0.187 0.000 0.970 167 R CB -0.063 30.302 30.300 0.108 0.000 0.864 167 R HN 0.199 nan 8.270 nan 0.000 0.440 168 E N 0.947 121.225 120.200 0.129 0.000 2.017 168 E HA -0.171 4.179 4.350 -0.000 0.000 0.193 168 E C 2.074 178.728 176.600 0.089 0.000 0.997 168 E CA 1.506 57.962 56.400 0.092 0.000 0.804 168 E CB -0.333 29.405 29.700 0.064 0.000 0.757 168 E HN 0.304 nan 8.360 nan 0.000 0.448 169 A N 0.217 123.080 122.820 0.071 0.000 1.978 169 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 169 A C 1.836 179.401 177.584 -0.032 0.000 1.170 169 A CA 1.371 53.400 52.037 -0.014 0.000 0.636 169 A CB -0.695 18.244 19.000 -0.101 0.000 0.810 169 A HN 0.271 nan 8.150 nan 0.000 0.448 170 Y N -1.177 119.182 120.300 0.097 0.000 2.500 170 Y HA 0.302 4.852 4.550 -0.000 0.000 0.270 170 Y C 2.538 178.479 175.900 0.068 0.000 1.134 170 Y CA 0.238 58.412 58.100 0.122 0.000 1.293 170 Y CB -0.056 38.519 38.460 0.192 0.000 1.063 170 Y HN 0.317 nan 8.280 nan 0.000 0.534 171 A N 0.483 123.416 122.820 0.188 0.000 1.970 171 A HA 0.229 4.549 4.320 -0.000 0.000 0.216 171 A C 1.748 179.367 177.584 0.058 0.000 1.170 171 A CA 0.665 52.769 52.037 0.111 0.000 0.645 171 A CB -0.909 18.144 19.000 0.089 0.000 0.816 171 A HN 0.242 nan 8.150 nan 0.000 0.447 172 A N 0.411 123.253 122.820 0.036 0.000 2.433 172 A HA 0.250 4.570 4.320 -0.000 0.000 0.250 172 A C 0.784 178.347 177.584 -0.036 0.000 1.113 172 A CA 0.491 52.526 52.037 -0.003 0.000 0.794 172 A CB 0.123 19.115 19.000 -0.014 0.000 1.067 172 A HN 0.418 nan 8.150 nan 0.000 0.510 173 D N -0.749 119.610 120.400 -0.069 0.000 2.194 173 D HA 0.068 4.708 4.640 -0.000 0.000 0.204 173 D C 0.299 176.492 176.300 -0.177 0.000 0.964 173 D CA 1.207 55.144 54.000 -0.105 0.000 0.846 173 D CB 0.002 40.729 40.800 -0.121 0.000 0.962 173 D HN 0.443 nan 8.370 nan 0.000 0.490 174 I N 0.919 121.352 120.570 -0.228 0.000 2.466 174 I HA 0.189 4.359 4.170 -0.000 0.000 0.289 174 I C -0.644 175.329 176.117 -0.241 0.000 1.026 174 I CA -0.347 60.762 61.300 -0.319 0.000 1.078 174 I CB 2.336 40.006 38.000 -0.550 0.000 1.249 174 I HN -0.319 nan 8.210 nan 0.000 0.429 175 T N 4.348 118.714 114.554 -0.315 0.000 2.863 175 T HA 0.599 4.949 4.350 -0.000 0.000 0.285 175 T C -1.084 173.490 174.700 -0.210 0.000 1.009 175 T CA -0.655 61.327 62.100 -0.197 0.000 0.989 175 T CB 1.506 70.256 68.868 -0.197 0.000 1.004 175 T HN 0.207 nan 8.240 nan 0.000 0.455 176 Y N 0.246 120.578 120.300 0.053 0.000 2.409 176 Y HA 0.711 5.261 4.550 0.001 0.000 0.343 176 Y C 0.687 176.600 175.900 0.022 0.000 0.973 176 Y CA -0.322 57.842 58.100 0.106 0.000 1.064 176 Y CB 2.588 41.065 38.460 0.029 0.000 1.207 176 Y HN 1.053 nan 8.280 nan 0.000 0.452 177 G N 0.172 109.117 108.800 0.241 0.000 2.489 177 G HA2 0.473 4.432 3.960 -0.000 0.000 0.305 177 G HA3 0.473 4.432 3.960 -0.000 0.000 0.305 177 G C -1.272 173.696 174.900 0.113 0.000 1.311 177 G CA -0.817 44.183 45.100 -0.167 0.000 0.813 177 G HN 0.550 nan 8.290 nan 0.000 0.480 178 T N -1.330 113.226 114.554 0.003 0.000 2.943 178 T HA 0.380 4.730 4.350 -0.000 0.000 0.284 178 T C 1.567 176.454 174.700 0.313 0.000 1.015 178 T CA 0.086 62.275 62.100 0.147 0.000 1.042 178 T CB 1.654 70.556 68.868 0.057 0.000 1.055 178 T HN 0.701 nan 8.240 nan 0.000 0.500 179 N N 2.834 121.731 118.700 0.328 0.000 2.036 179 N HA -0.248 4.492 4.740 -0.000 0.000 0.195 179 N C 1.201 176.819 175.510 0.180 0.000 1.037 179 N CA 1.491 54.824 53.050 0.470 0.000 0.855 179 N CB -0.991 37.729 38.487 0.389 0.000 1.033 179 N HN 0.578 nan 8.380 nan 0.000 0.423 180 N N 1.292 119.925 118.700 -0.112 0.000 2.011 180 N HA -0.157 4.583 4.740 -0.000 0.000 0.199 180 N C 1.578 176.860 175.510 -0.380 0.000 1.047 180 N CA 1.238 53.958 53.050 -0.551 0.000 0.863 180 N CB -0.436 37.774 38.487 -0.462 0.000 1.056 180 N HN 0.334 nan 8.380 nan 0.000 0.427 181 E N 0.416 120.606 120.200 -0.016 0.000 2.097 181 E HA -0.175 4.175 4.350 -0.000 0.000 0.196 181 E C 2.112 178.798 176.600 0.143 0.000 1.000 181 E CA 0.990 57.472 56.400 0.136 0.000 0.804 181 E CB -0.501 29.211 29.700 0.019 0.000 0.740 181 E HN 0.551 nan 8.360 nan 0.000 0.454 182 Y N 0.176 120.561 120.300 0.142 0.000 2.097 182 Y HA -0.202 4.348 4.550 0.000 0.000 0.282 182 Y C 2.583 178.402 175.900 -0.136 0.000 1.152 182 Y CA 1.218 59.437 58.100 0.198 0.000 1.136 182 Y CB -0.680 37.975 38.460 0.324 0.000 0.975 182 Y HN 0.147 nan 8.280 nan 0.000 0.498 183 G N -0.235 108.401 108.800 -0.273 0.000 2.459 183 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 183 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 183 G C 1.378 176.323 174.900 0.076 0.000 1.183 183 G CA 1.084 45.865 45.100 -0.533 0.000 0.776 183 G HN 0.257 nan 8.290 nan 0.000 0.552 184 F N 1.766 121.893 119.950 0.295 0.000 2.120 184 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 184 F C 2.464 178.322 175.800 0.096 0.000 1.095 184 F CA 1.077 59.198 58.000 0.203 0.000 1.249 184 F CB -0.607 38.471 39.000 0.130 0.000 0.995 184 F HN 0.113 nan 8.300 nan 0.000 0.480 185 D N -1.401 119.181 120.400 0.304 0.000 2.117 185 D HA -0.234 4.406 4.640 -0.000 0.000 0.197 185 D C 2.147 178.516 176.300 0.116 0.000 0.987 185 D CA 1.164 55.286 54.000 0.202 0.000 0.829 185 D CB -0.694 40.270 40.800 0.273 0.000 0.961 185 D HN 0.336 nan 8.370 nan 0.000 0.460 186 Y N 1.190 121.475 120.300 -0.026 0.000 2.224 186 Y HA -0.107 4.443 4.550 -0.001 0.000 0.289 186 Y C 2.172 178.029 175.900 -0.071 0.000 1.146 186 Y CA 1.119 59.176 58.100 -0.072 0.000 1.182 186 Y CB -0.290 38.100 38.460 -0.117 0.000 0.983 186 Y HN -0.067 nan 8.280 nan 0.000 0.524 187 L N -0.397 120.793 121.223 -0.054 0.000 2.056 187 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 187 L C 2.526 179.319 176.870 -0.128 0.000 1.078 187 L CA 1.393 56.163 54.840 -0.116 0.000 0.749 187 L CB -0.418 41.670 42.059 0.048 0.000 0.901 187 L HN 0.153 nan 8.230 nan 0.000 0.433 188 R N -0.321 120.151 120.500 -0.046 0.000 2.148 188 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 188 R C 1.610 177.839 176.300 -0.119 0.000 1.103 188 R CA 1.097 57.156 56.100 -0.069 0.000 0.983 188 R CB -0.276 30.019 30.300 -0.009 0.000 0.874 188 R HN 0.315 nan 8.270 nan 0.000 0.451 189 D N 0.292 120.606 120.400 -0.143 0.000 2.219 189 D HA -0.069 4.571 4.640 -0.000 0.000 0.205 189 D C 1.375 177.548 176.300 -0.212 0.000 0.970 189 D CA 0.801 54.706 54.000 -0.158 0.000 0.851 189 D CB -0.141 40.564 40.800 -0.158 0.000 0.943 189 D HN 0.160 nan 8.370 nan 0.000 0.488 190 N N -0.245 118.279 118.700 -0.294 0.000 2.409 190 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 190 N C 0.752 176.139 175.510 -0.205 0.000 1.032 190 N CA 0.507 53.391 53.050 -0.277 0.000 0.898 190 N CB 0.186 38.462 38.487 -0.351 0.000 0.971 190 N HN 0.159 nan 8.380 nan 0.000 0.441 191 M N 0.772 120.249 119.600 -0.206 0.000 2.723 191 M HA 0.268 4.748 4.480 -0.000 0.000 0.270 191 M C -0.004 176.110 176.300 -0.310 0.000 1.282 191 M CA -0.580 54.588 55.300 -0.220 0.000 0.995 191 M CB -0.684 31.798 32.600 -0.196 0.000 1.430 191 M HN -0.145 nan 8.290 nan 0.000 0.477 192 A N -0.283 122.386 122.820 -0.252 0.000 2.316 192 A HA 0.593 4.913 4.320 -0.000 0.000 0.284 192 A C 0.601 178.058 177.584 -0.211 0.000 1.115 192 A CA -0.474 51.413 52.037 -0.249 0.000 0.812 192 A CB 0.368 19.327 19.000 -0.067 0.000 1.064 192 A HN 0.365 nan 8.150 nan 0.000 0.489 193 F N 1.887 121.816 119.950 -0.034 0.000 2.014 193 F HA -0.030 4.496 4.527 -0.001 0.000 0.295 193 F C 1.632 177.415 175.800 -0.028 0.000 1.145 193 F CA 1.650 59.633 58.000 -0.028 0.000 1.178 193 F CB -0.856 38.131 39.000 -0.022 0.000 0.972 193 F HN 0.537 nan 8.300 nan 0.000 0.476 194 S N -1.020 114.833 115.700 0.255 0.000 2.548 194 S HA 0.449 4.919 4.470 -0.000 0.000 0.286 194 S C -2.311 172.338 174.600 0.082 0.000 1.098 194 S CA -1.564 56.704 58.200 0.113 0.000 0.930 194 S CB 2.088 65.335 63.200 0.079 0.000 1.070 194 S HN -0.241 nan 8.310 nan 0.000 0.480 195 P HA -0.230 nan 4.420 nan 0.000 0.220 195 P C 1.089 178.405 177.300 0.027 0.000 1.155 195 P CA 1.587 64.698 63.100 0.019 0.000 0.880 195 P CB -0.061 31.643 31.700 0.006 0.000 0.790 196 E N -0.818 119.399 120.200 0.028 0.000 2.520 196 E HA -0.143 4.207 4.350 -0.000 0.000 0.201 196 E C 0.962 177.582 176.600 0.035 0.000 1.122 196 E CA 0.846 57.259 56.400 0.022 0.000 0.896 196 E CB -0.580 29.126 29.700 0.009 0.000 0.891 196 E HN 0.356 nan 8.360 nan 0.000 0.533 197 E N 0.752 120.995 120.200 0.072 0.000 2.511 197 E HA 0.146 4.496 4.350 -0.000 0.000 0.209 197 E C 0.151 176.814 176.600 0.105 0.000 0.986 197 E CA -0.111 56.359 56.400 0.118 0.000 0.974 197 E CB 0.500 30.376 29.700 0.294 0.000 1.030 197 E HN 0.229 nan 8.360 nan 0.000 0.490 198 R N 0.641 121.173 120.500 0.054 0.000 2.594 198 R HA 0.078 4.418 4.340 -0.000 0.000 0.272 198 R C 1.590 177.890 176.300 -0.000 0.000 1.074 198 R CA 0.039 56.144 56.100 0.009 0.000 1.105 198 R CB 0.981 31.267 30.300 -0.024 0.000 1.008 198 R HN -0.075 nan 8.270 nan 0.000 0.472 199 V N -0.785 119.110 119.914 -0.032 0.000 3.307 199 V HA 0.069 4.189 4.120 -0.000 0.000 0.253 199 V C 0.688 176.648 176.094 -0.223 0.000 1.149 199 V CA 0.452 62.734 62.300 -0.030 0.000 1.112 199 V CB -0.182 31.677 31.823 0.061 0.000 0.777 199 V HN 0.568 nan 8.190 nan 0.000 0.464 200 Q N 0.922 120.493 119.800 -0.382 0.000 2.222 200 Q HA 0.584 4.924 4.340 -0.000 0.000 0.211 200 Q C -0.458 175.437 176.000 -0.174 0.000 1.013 200 Q CA -0.625 54.831 55.803 -0.578 0.000 0.993 200 Q CB 1.163 29.618 28.738 -0.471 0.000 1.151 200 Q HN 0.552 nan 8.270 nan 0.000 0.544 201 R N 0.041 120.507 120.500 -0.058 0.000 2.960 201 R HA 0.375 4.715 4.340 -0.000 0.000 0.249 201 R C -0.926 175.370 176.300 -0.007 0.000 1.192 201 R CA -1.161 54.944 56.100 0.008 0.000 1.035 201 R CB 0.600 30.941 30.300 0.067 0.000 1.234 201 R HN 0.366 nan 8.270 nan 0.000 0.493 202 K N 1.909 122.301 120.400 -0.013 0.000 2.404 202 K HA -0.071 4.249 4.320 -0.000 0.000 0.271 202 K C -0.472 176.081 176.600 -0.078 0.000 1.130 202 K CA 0.137 56.396 56.287 -0.047 0.000 1.181 202 K CB -0.198 32.281 32.500 -0.035 0.000 0.840 202 K HN 0.390 nan 8.250 nan 0.000 0.483 203 L N 5.477 126.538 121.223 -0.270 0.000 2.628 203 L HA -0.040 4.299 4.340 -0.000 0.000 0.274 203 L C 1.485 178.223 176.870 -0.220 0.000 1.209 203 L CA 0.177 54.652 54.840 -0.607 0.000 0.930 203 L CB 0.058 41.246 42.059 -1.452 0.000 1.183 203 L HN 0.800 nan 8.230 nan 0.000 0.492 204 H N 3.343 122.416 119.070 0.004 0.000 2.429 204 H HA 0.123 4.678 4.556 -0.000 0.000 0.303 204 H C -0.635 174.939 175.328 0.411 0.000 1.201 204 H CA -0.293 55.868 56.048 0.188 0.000 1.776 204 H CB 0.666 30.549 29.762 0.201 0.000 1.505 204 H HN 0.503 nan 8.280 nan 0.000 0.631 205 Y N 1.097 121.454 120.300 0.094 0.000 2.364 205 Y HA 0.554 5.104 4.550 -0.000 0.000 0.340 205 Y C -1.347 174.538 175.900 -0.025 0.000 0.975 205 Y CA -0.858 57.174 58.100 -0.114 0.000 1.089 205 Y CB 1.408 39.650 38.460 -0.364 0.000 1.192 205 Y HN 0.376 nan 8.280 nan 0.000 0.454 206 A N 7.516 129.880 122.820 -0.760 0.000 2.332 206 A HA 0.574 4.894 4.320 -0.000 0.000 0.300 206 A C -1.929 175.062 177.584 -0.989 0.000 1.153 206 A CA -0.681 50.779 52.037 -0.963 0.000 0.764 206 A CB 0.549 18.721 19.000 -1.381 0.000 1.174 206 A HN 0.836 nan 8.150 nan 0.000 0.467 207 L N 4.069 124.767 121.223 -0.875 0.000 2.264 207 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 207 L C -0.879 175.732 176.870 -0.432 0.000 1.039 207 L CA -0.638 53.820 54.840 -0.637 0.000 0.829 207 L CB 1.279 43.058 42.059 -0.467 0.000 1.211 207 L HN 0.482 nan 8.230 nan 0.000 0.427 208 V N 3.186 122.835 119.914 -0.441 0.000 2.385 208 V HA 0.157 4.277 4.120 -0.000 0.000 0.269 208 V C 0.028 175.960 176.094 -0.269 0.000 1.043 208 V CA -0.603 61.457 62.300 -0.401 0.000 0.906 208 V CB 1.288 32.758 31.823 -0.588 0.000 0.995 208 V HN 0.584 nan 8.190 nan 0.000 0.467 209 D N 4.046 124.343 120.400 -0.171 0.000 2.264 209 D HA 0.259 4.899 4.640 -0.000 0.000 0.250 209 D C 0.406 176.639 176.300 -0.113 0.000 1.113 209 D CA -0.084 53.851 54.000 -0.108 0.000 0.871 209 D CB 0.937 41.712 40.800 -0.042 0.000 1.167 209 D HN 0.626 nan 8.370 nan 0.000 0.447 210 E N 1.936 122.077 120.200 -0.099 0.000 2.340 210 E HA -0.162 4.188 4.350 -0.000 0.000 0.240 210 E C 1.208 177.738 176.600 -0.117 0.000 1.154 210 E CA 0.682 57.032 56.400 -0.083 0.000 0.717 210 E CB -1.464 28.200 29.700 -0.061 0.000 1.250 210 E HN 0.339 nan 8.360 nan 0.000 0.386 211 V N -0.298 119.508 119.914 -0.180 0.000 2.277 211 V HA -0.422 3.697 4.120 -0.000 0.000 0.253 211 V C 2.307 178.336 176.094 -0.108 0.000 1.067 211 V CA 2.367 64.500 62.300 -0.279 0.000 1.047 211 V CB -0.680 30.856 31.823 -0.478 0.000 0.649 211 V HN 0.598 nan 8.190 nan 0.000 0.447 212 D N 0.952 121.412 120.400 0.101 0.000 2.092 212 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 212 D C 2.092 178.445 176.300 0.087 0.000 0.994 212 D CA 2.044 56.193 54.000 0.248 0.000 0.828 212 D CB -0.807 40.116 40.800 0.205 0.000 0.963 212 D HN 0.471 nan 8.370 nan 0.000 0.450 213 S N 0.587 116.299 115.700 0.020 0.000 2.359 213 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 213 S C 2.277 176.869 174.600 -0.014 0.000 1.039 213 S CA 1.126 59.322 58.200 -0.005 0.000 1.042 213 S CB -0.370 62.815 63.200 -0.024 0.000 0.915 213 S HN 0.321 nan 8.310 nan 0.000 0.439 214 I N 0.954 121.485 120.570 -0.065 0.000 2.202 214 I HA -0.105 4.065 4.170 -0.000 0.000 0.242 214 I C 1.681 177.744 176.117 -0.090 0.000 1.091 214 I CA 1.175 62.414 61.300 -0.102 0.000 1.368 214 I CB -0.216 37.650 38.000 -0.225 0.000 1.058 214 I HN 0.214 nan 8.210 nan 0.000 0.410 215 L N -0.263 120.882 121.223 -0.130 0.000 2.592 215 L HA 0.133 4.473 4.340 -0.000 0.000 0.227 215 L C 1.813 178.791 176.870 0.180 0.000 1.127 215 L CA 0.407 55.203 54.840 -0.074 0.000 0.884 215 L CB 0.292 42.070 42.059 -0.468 0.000 1.065 215 L HN 0.272 nan 8.230 nan 0.000 0.457 216 I N -1.195 119.470 120.570 0.157 0.000 3.623 216 I HA -0.016 4.153 4.170 -0.000 0.000 0.253 216 I C 1.539 177.718 176.117 0.103 0.000 1.144 216 I CA 0.182 61.575 61.300 0.154 0.000 1.461 216 I CB 0.291 38.356 38.000 0.108 0.000 1.575 216 I HN 0.014 nan 8.210 nan 0.000 0.445 217 D N 1.439 121.881 120.400 0.071 0.000 2.178 217 D HA -0.136 4.504 4.640 -0.000 0.000 0.201 217 D C 0.938 177.277 176.300 0.065 0.000 0.980 217 D CA 1.070 55.104 54.000 0.058 0.000 0.842 217 D CB -0.188 40.629 40.800 0.028 0.000 0.948 217 D HN 0.273 nan 8.370 nan 0.000 0.472 218 E N 0.313 120.553 120.200 0.066 0.000 2.424 218 E HA 0.213 4.563 4.350 -0.000 0.000 0.237 218 E C 0.564 177.230 176.600 0.111 0.000 1.381 218 E CA -0.126 56.315 56.400 0.069 0.000 1.587 218 E CB 0.068 29.798 29.700 0.051 0.000 1.398 218 E HN 0.171 nan 8.360 nan 0.000 0.439 219 A N 0.806 123.692 122.820 0.111 0.000 2.348 219 A HA 0.090 4.410 4.320 -0.000 0.000 0.224 219 A C 0.785 178.432 177.584 0.104 0.000 1.227 219 A CA -0.186 51.926 52.037 0.125 0.000 0.885 219 A CB 0.328 19.397 19.000 0.115 0.000 0.933 219 A HN -0.083 nan 8.150 nan 0.000 0.506 220 R N 2.179 122.733 120.500 0.089 0.000 2.220 220 R HA 0.222 4.562 4.340 -0.000 0.000 0.340 220 R C 0.049 176.400 176.300 0.084 0.000 1.076 220 R CA -0.020 56.127 56.100 0.079 0.000 0.920 220 R CB -0.400 29.941 30.300 0.068 0.000 1.062 220 R HN 0.475 nan 8.270 nan 0.000 0.469 221 T N 1.530 116.142 114.554 0.096 0.000 2.946 221 T HA 0.157 4.506 4.350 -0.000 0.000 0.312 221 T C -1.947 172.817 174.700 0.107 0.000 1.066 221 T CA -1.052 61.119 62.100 0.119 0.000 1.138 221 T CB 0.239 69.176 68.868 0.115 0.000 1.014 221 T HN 0.217 nan 8.240 nan 0.000 0.544 222 P HA 0.438 nan 4.420 nan 0.000 0.272 222 P C -0.853 176.533 177.300 0.144 0.000 1.230 222 P CA -0.622 62.560 63.100 0.136 0.000 0.788 222 P CB 0.423 32.232 31.700 0.182 0.000 0.949 223 L N 2.227 123.523 121.223 0.122 0.000 2.349 223 L HA 0.419 4.759 4.340 -0.000 0.000 0.278 223 L C -0.453 176.472 176.870 0.093 0.000 0.996 223 L CA -0.349 54.550 54.840 0.098 0.000 0.825 223 L CB 1.014 43.116 42.059 0.071 0.000 1.243 223 L HN 0.242 nan 8.230 nan 0.000 0.412 224 I N 5.330 125.953 120.570 0.088 0.000 2.371 224 I HA 0.430 4.600 4.170 -0.000 0.000 0.290 224 I C -0.120 176.022 176.117 0.042 0.000 1.028 224 I CA 0.052 61.390 61.300 0.064 0.000 1.345 224 I CB 0.430 38.468 38.000 0.064 0.000 1.407 224 I HN 0.448 nan 8.210 nan 0.000 0.501 373 A N 2.801 125.642 122.820 0.035 0.000 2.486 373 A HA 1.011 5.331 4.320 -0.000 0.000 0.277 373 A C -0.841 176.778 177.584 0.057 0.000 1.282 373 A CA 0.018 52.080 52.037 0.041 0.000 0.784 373 A CB 1.974 20.996 19.000 0.037 0.000 1.350 373 A HN 1.301 nan 8.150 nan 0.000 0.454 374 S N -0.848 114.891 115.700 0.065 0.000 2.563 374 S HA 0.611 5.081 4.470 -0.000 0.000 0.279 374 S C -0.810 173.847 174.600 0.095 0.000 1.155 374 S CA -0.053 58.200 58.200 0.087 0.000 0.928 374 S CB 0.250 63.497 63.200 0.078 0.000 1.107 374 S HN 2.009 nan 8.310 nan 0.000 0.462 375 I N 0.208 120.858 120.570 0.134 0.000 3.322 375 I HA 0.948 5.118 4.170 -0.000 0.000 0.313 375 I C -0.348 175.889 176.117 0.201 0.000 1.129 375 I CA -0.883 60.496 61.300 0.132 0.000 0.963 375 I CB 1.932 39.993 38.000 0.102 0.000 1.273 375 I HN 0.825 nan 8.210 nan 0.000 0.473 376 T N -1.777 112.894 114.554 0.195 0.000 2.907 376 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 376 T C -0.571 174.350 174.700 0.367 0.000 1.066 376 T CA -0.359 61.913 62.100 0.286 0.000 1.012 376 T CB 1.670 70.649 68.868 0.186 0.000 1.184 376 T HN 0.513 nan 8.240 nan 0.000 0.522 377 F N 0.175 120.181 119.950 0.093 0.000 2.698 377 F HA 0.402 4.929 4.527 0.000 0.000 0.304 377 F C 2.193 178.132 175.800 0.232 0.000 1.108 377 F CA -0.944 57.125 58.000 0.115 0.000 1.263 377 F CB 0.021 39.046 39.000 0.043 0.000 1.013 377 F HN 0.751 nan 8.300 nan 0.000 0.532 378 Q N 1.217 121.229 119.800 0.353 0.000 1.998 378 Q HA -0.298 4.042 4.340 -0.000 0.000 0.209 378 Q C 1.160 177.360 176.000 0.334 0.000 1.002 378 Q CA 2.751 58.760 55.803 0.343 0.000 0.858 378 Q CB -0.286 28.563 28.738 0.185 0.000 0.932 378 Q HN 0.448 nan 8.270 nan 0.000 0.416 379 N N -0.548 118.251 118.700 0.166 0.000 2.519 379 N HA -0.158 4.581 4.740 -0.000 0.000 0.186 379 N C 1.330 176.878 175.510 0.063 0.000 1.062 379 N CA 0.784 53.888 53.050 0.091 0.000 0.910 379 N CB -0.261 38.241 38.487 0.024 0.000 0.958 379 N HN 0.346 nan 8.380 nan 0.000 0.445 380 Y N 0.658 120.922 120.300 -0.060 0.000 2.165 380 Y HA -0.195 4.355 4.550 0.000 0.000 0.286 380 Y C 1.093 176.798 175.900 -0.325 0.000 1.155 380 Y CA 1.430 59.341 58.100 -0.316 0.000 1.164 380 Y CB -0.440 37.782 38.460 -0.397 0.000 0.978 380 Y HN 0.039 nan 8.280 nan 0.000 0.513 381 F N -0.286 119.581 119.950 -0.138 0.000 2.780 381 F HA 0.111 4.638 4.527 -0.001 0.000 0.299 381 F C 2.019 177.794 175.800 -0.041 0.000 1.146 381 F CA 0.522 58.406 58.000 -0.194 0.000 1.428 381 F CB -0.122 38.761 39.000 -0.196 0.000 1.115 381 F HN -0.103 nan 8.300 nan 0.000 0.583 382 R N -0.158 120.406 120.500 0.107 0.000 2.297 382 R HA 0.128 4.468 4.340 -0.000 0.000 0.197 382 R C 1.535 177.820 176.300 -0.024 0.000 0.943 382 R CA 0.358 56.507 56.100 0.082 0.000 1.038 382 R CB -0.047 30.290 30.300 0.061 0.000 0.957 382 R HN 0.359 nan 8.270 nan 0.000 0.484 383 L N -0.420 120.712 121.223 -0.151 0.000 2.558 383 L HA 0.089 4.428 4.340 -0.000 0.000 0.225 383 L C 0.153 176.863 176.870 -0.266 0.000 1.128 383 L CA 0.079 54.773 54.840 -0.243 0.000 0.868 383 L CB -0.099 41.698 42.059 -0.437 0.000 1.006 383 L HN 0.064 nan 8.230 nan 0.000 0.454 384 Y N 0.797 120.937 120.300 -0.267 0.000 2.346 384 Y HA -0.048 4.502 4.550 -0.000 0.000 0.330 384 Y C 1.628 177.486 175.900 -0.070 0.000 1.178 384 Y CA 0.201 58.187 58.100 -0.190 0.000 1.331 384 Y CB 0.768 39.101 38.460 -0.212 0.000 1.253 384 Y HN -0.017 nan 8.280 nan 0.000 0.529 385 E N 2.216 122.485 120.200 0.116 0.000 2.038 385 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 385 E C -0.275 176.397 176.600 0.120 0.000 1.000 385 E CA 1.223 57.698 56.400 0.126 0.000 0.803 385 E CB 0.208 30.046 29.700 0.230 0.000 0.750 385 E HN 0.505 nan 8.360 nan 0.000 0.448 386 K N 0.902 121.387 120.400 0.141 0.000 2.323 386 K HA 0.383 4.703 4.320 -0.000 0.000 0.259 386 K C -0.990 175.676 176.600 0.110 0.000 0.947 386 K CA -0.407 55.963 56.287 0.138 0.000 0.819 386 K CB 2.154 34.750 32.500 0.160 0.000 1.109 386 K HN 0.069 nan 8.250 nan 0.000 0.429 387 L N 2.604 123.843 121.223 0.027 0.000 2.349 387 L HA 0.730 5.069 4.340 -0.000 0.000 0.278 387 L C -1.471 175.310 176.870 -0.149 0.000 0.996 387 L CA -0.335 54.428 54.840 -0.129 0.000 0.825 387 L CB 1.559 43.566 42.059 -0.086 0.000 1.243 387 L HN 0.866 nan 8.230 nan 0.000 0.412 388 A N 3.250 125.904 122.820 -0.276 0.000 2.549 388 A HA 0.906 5.225 4.320 -0.000 0.000 0.297 388 A C -0.759 176.620 177.584 -0.342 0.000 1.061 388 A CA -0.112 51.790 52.037 -0.225 0.000 0.690 388 A CB 1.967 20.944 19.000 -0.038 0.000 1.287 388 A HN 0.821 nan 8.150 nan 0.000 0.402 389 G N 0.053 108.661 108.800 -0.320 0.000 2.680 389 G HA2 0.773 4.733 3.960 -0.000 0.000 0.290 389 G HA3 0.773 4.733 3.960 -0.000 0.000 0.290 389 G C -0.749 174.008 174.900 -0.238 0.000 1.355 389 G CA -0.365 44.526 45.100 -0.348 0.000 0.903 389 G HN 1.520 nan 8.290 nan 0.000 0.474 390 M N -0.336 119.145 119.600 -0.198 0.000 2.484 390 M HA 0.850 5.329 4.480 -0.000 0.000 0.289 390 M C -0.994 175.250 176.300 -0.092 0.000 1.206 390 M CA -0.719 54.512 55.300 -0.115 0.000 0.892 390 M CB 2.399 34.956 32.600 -0.071 0.000 1.712 390 M HN 0.786 nan 8.290 nan 0.000 0.462 391 T N 0.015 114.542 114.554 -0.045 0.000 2.733 391 T HA 0.591 4.941 4.350 -0.000 0.000 0.312 391 T C -0.023 174.682 174.700 0.009 0.000 1.590 391 T CA 0.107 62.197 62.100 -0.017 0.000 1.005 391 T CB 1.558 70.429 68.868 0.005 0.000 1.528 391 T HN 1.018 nan 8.240 nan 0.000 0.496 392 G N 1.079 109.888 108.800 0.014 0.000 3.337 392 G HA2 0.443 4.403 3.960 -0.000 0.000 0.246 392 G HA3 0.443 4.403 3.960 -0.000 0.000 0.246 392 G C 0.068 174.986 174.900 0.030 0.000 1.131 392 G CA 0.413 45.526 45.100 0.020 0.000 0.773 392 G HN 1.223 nan 8.290 nan 0.000 0.544 393 T N -4.015 110.564 114.554 0.042 0.000 3.548 393 T HA 0.633 4.983 4.350 -0.000 0.000 0.329 393 T C -0.086 174.666 174.700 0.087 0.000 0.960 393 T CA 0.158 62.286 62.100 0.048 0.000 1.041 393 T CB 1.347 70.233 68.868 0.030 0.000 1.065 393 T HN 0.481 nan 8.240 nan 0.000 0.459 394 A N 2.025 124.904 122.820 0.098 0.000 1.998 394 A HA 0.314 4.634 4.320 -0.000 0.000 0.180 394 A C 1.410 179.035 177.584 0.068 0.000 1.858 394 A CA 0.123 52.264 52.037 0.173 0.000 1.403 394 A CB -0.068 19.136 19.000 0.340 0.000 1.550 394 A HN 0.635 nan 8.150 nan 0.000 0.385 395 D N 1.112 121.547 120.400 0.058 0.000 2.265 395 D HA -0.097 4.543 4.640 -0.000 0.000 0.208 395 D C 1.730 178.025 176.300 -0.007 0.000 0.977 395 D CA 1.798 55.819 54.000 0.035 0.000 0.871 395 D CB -0.177 40.642 40.800 0.032 0.000 0.925 395 D HN 0.466 nan 8.370 nan 0.000 0.485 396 T N 1.106 115.642 114.554 -0.031 0.000 2.502 396 T HA -0.194 4.156 4.350 -0.000 0.000 0.258 396 T C 1.149 175.802 174.700 -0.078 0.000 1.146 396 T CA 1.332 63.403 62.100 -0.049 0.000 1.208 396 T CB -0.310 68.528 68.868 -0.051 0.000 0.864 396 T HN 0.142 nan 8.240 nan 0.000 0.402 397 E N 1.191 121.287 120.200 -0.173 0.000 2.296 397 E HA 0.496 4.846 4.350 -0.000 0.000 0.196 397 E C 1.493 177.885 176.600 -0.346 0.000 1.143 397 E CA 0.070 56.331 56.400 -0.233 0.000 1.145 397 E CB -0.465 29.042 29.700 -0.322 0.000 1.215 397 E HN 0.465 nan 8.360 nan 0.000 0.447 398 A N 0.119 122.838 122.820 -0.167 0.000 2.139 398 A HA -0.210 4.110 4.320 -0.000 0.000 0.221 398 A C 1.683 179.319 177.584 0.086 0.000 1.159 398 A CA 1.063 53.086 52.037 -0.024 0.000 0.662 398 A CB -0.528 18.519 19.000 0.078 0.000 0.796 398 A HN 0.460 nan 8.150 nan 0.000 0.463 399 F N 0.070 119.977 119.950 -0.071 0.000 2.317 399 F HA 0.083 4.610 4.527 0.000 0.000 0.293 399 F C 2.010 177.809 175.800 -0.002 0.000 1.085 399 F CA 1.320 59.311 58.000 -0.016 0.000 1.390 399 F CB -0.111 38.874 39.000 -0.024 0.000 1.077 399 F HN 0.388 nan 8.300 nan 0.000 0.517 400 E N -0.329 119.810 120.200 -0.102 0.000 2.204 400 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 400 E C 2.216 178.821 176.600 0.008 0.000 0.989 400 E CA 1.016 57.336 56.400 -0.133 0.000 0.824 400 E CB -0.430 29.220 29.700 -0.084 0.000 0.756 400 E HN 0.543 nan 8.360 nan 0.000 0.477 401 F N 0.548 120.505 119.950 0.012 0.000 2.216 401 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 401 F C 2.666 178.500 175.800 0.058 0.000 1.085 401 F CA 0.903 58.953 58.000 0.083 0.000 1.326 401 F CB 0.112 39.127 39.000 0.025 0.000 1.027 401 F HN 0.184 nan 8.300 nan 0.000 0.497 402 S N -1.243 114.519 115.700 0.103 0.000 2.492 402 S HA -0.068 4.402 4.470 -0.000 0.000 0.218 402 S C 1.661 176.174 174.600 -0.145 0.000 1.016 402 S CA 0.407 58.600 58.200 -0.013 0.000 0.916 402 S CB -0.394 62.782 63.200 -0.039 0.000 0.791 402 S HN 0.270 nan 8.310 nan 0.000 0.513 403 S N 1.167 116.686 115.700 -0.302 0.000 2.607 403 S HA 0.272 4.742 4.470 -0.000 0.000 0.224 403 S C 1.313 175.792 174.600 -0.202 0.000 0.969 403 S CA 0.301 58.302 58.200 -0.331 0.000 0.927 403 S CB -0.653 62.237 63.200 -0.516 0.000 0.772 403 S HN 0.673 nan 8.310 nan 0.000 0.533 404 I N -2.135 118.326 120.570 -0.182 0.000 3.990 404 I HA 0.243 4.412 4.170 -0.000 0.000 0.275 404 I C 1.003 176.879 176.117 -0.402 0.000 1.157 404 I CA -0.049 61.044 61.300 -0.345 0.000 1.338 404 I CB 0.098 37.749 38.000 -0.581 0.000 1.588 404 I HN 0.107 nan 8.210 nan 0.000 0.441 405 Y N 1.632 121.933 120.300 0.002 0.000 2.458 405 Y HA 0.318 4.867 4.550 -0.001 0.000 0.256 405 Y C 0.141 176.027 175.900 -0.023 0.000 1.159 405 Y CA -0.783 57.311 58.100 -0.009 0.000 1.261 405 Y CB 0.317 38.763 38.460 -0.025 0.000 1.119 405 Y HN -0.117 nan 8.280 nan 0.000 0.524 406 K N 1.192 121.646 120.400 0.089 0.000 3.689 406 K HA -0.177 4.143 4.320 -0.000 0.000 0.276 406 K C -1.168 175.469 176.600 0.061 0.000 0.932 406 K CA 0.599 56.913 56.287 0.046 0.000 0.758 406 K CB -1.758 30.755 32.500 0.022 0.000 1.500 406 K HN 0.436 nan 8.250 nan 0.000 0.448 407 L N 1.245 122.516 121.223 0.079 0.000 2.333 407 L HA 0.321 4.661 4.340 -0.000 0.000 0.280 407 L C 0.249 177.153 176.870 0.056 0.000 1.004 407 L CA -0.901 53.956 54.840 0.028 0.000 0.820 407 L CB 1.609 43.627 42.059 -0.068 0.000 1.247 407 L HN -0.009 nan 8.230 nan 0.000 0.416 408 D N 1.537 121.958 120.400 0.035 0.000 2.225 408 D HA 0.246 4.885 4.640 -0.000 0.000 0.248 408 D C -0.212 176.122 176.300 0.056 0.000 1.096 408 D CA -0.050 53.985 54.000 0.058 0.000 0.863 408 D CB 1.776 42.602 40.800 0.044 0.000 1.156 408 D HN 0.344 nan 8.370 nan 0.000 0.450 409 T N 1.583 116.199 114.554 0.102 0.000 2.780 409 T HA 0.367 4.716 4.350 -0.000 0.000 0.294 409 T C 0.068 174.812 174.700 0.073 0.000 0.949 409 T CA -0.494 61.670 62.100 0.107 0.000 1.074 409 T CB 0.861 69.841 68.868 0.187 0.000 0.910 409 T HN -0.024 nan 8.240 nan 0.000 0.501 410 V N 4.357 124.302 119.914 0.051 0.000 2.407 410 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 410 V C 0.038 176.158 176.094 0.043 0.000 1.018 410 V CA -0.925 61.401 62.300 0.043 0.000 0.842 410 V CB 1.787 33.630 31.823 0.033 0.000 0.996 410 V HN 0.722 nan 8.190 nan 0.000 0.426 411 V N 6.150 126.090 119.914 0.043 0.000 2.338 411 V HA 0.176 4.296 4.120 -0.000 0.000 0.255 411 V C 0.391 176.505 176.094 0.034 0.000 1.082 411 V CA -0.319 62.005 62.300 0.039 0.000 0.951 411 V CB 0.858 32.703 31.823 0.037 0.000 1.102 411 V HN 0.632 nan 8.190 nan 0.000 0.489 412 V N 8.410 128.344 119.914 0.034 0.000 2.715 412 V HA 0.198 4.318 4.120 -0.000 0.000 0.299 412 V C -1.349 174.762 176.094 0.029 0.000 1.054 412 V CA -1.057 61.264 62.300 0.035 0.000 1.077 412 V CB 0.947 32.796 31.823 0.043 0.000 0.972 412 V HN 0.716 nan 8.190 nan 0.000 0.484 413 P HA 0.231 nan 4.420 nan 0.000 0.276 413 P C -0.223 177.082 177.300 0.009 0.000 1.244 413 P CA -0.271 62.838 63.100 0.015 0.000 0.801 413 P CB 0.637 32.344 31.700 0.013 0.000 1.006 414 T N -1.932 112.620 114.554 -0.004 0.000 2.828 414 T HA 0.079 4.429 4.350 -0.000 0.000 0.290 414 T C 1.256 175.924 174.700 -0.053 0.000 1.019 414 T CA -0.427 61.660 62.100 -0.021 0.000 1.031 414 T CB 0.454 69.309 68.868 -0.022 0.000 1.001 414 T HN 0.463 nan 8.240 nan 0.000 0.531 415 N N 0.585 119.220 118.700 -0.107 0.000 2.051 415 N HA -0.090 4.650 4.740 -0.000 0.000 0.192 415 N C 0.182 175.590 175.510 -0.169 0.000 1.049 415 N CA 0.569 53.494 53.050 -0.209 0.000 0.845 415 N CB 0.142 38.339 38.487 -0.484 0.000 1.031 415 N HN 0.410 nan 8.380 nan 0.000 0.425 416 R N 1.294 121.704 120.500 -0.150 0.000 2.604 416 R HA 0.387 4.727 4.340 -0.000 0.000 0.287 416 R C -2.349 173.919 176.300 -0.054 0.000 0.970 416 R CA -2.021 54.021 56.100 -0.096 0.000 0.946 416 R CB 0.821 31.068 30.300 -0.089 0.000 1.127 416 R HN 0.292 nan 8.270 nan 0.000 0.473 417 P HA -0.047 nan 4.420 nan 0.000 0.262 417 P C -0.111 177.181 177.300 -0.013 0.000 1.182 417 P CA 0.035 63.123 63.100 -0.020 0.000 0.761 417 P CB 0.588 32.279 31.700 -0.014 0.000 0.795 418 M N 5.781 125.376 119.600 -0.007 0.000 2.383 418 M HA 0.100 4.580 4.480 -0.000 0.000 0.337 418 M C 0.961 177.263 176.300 0.004 0.000 1.422 418 M CA -0.323 54.977 55.300 -0.000 0.000 1.333 418 M CB -0.793 31.809 32.600 0.003 0.000 1.488 418 M HN 0.340 nan 8.290 nan 0.000 0.454 419 I N 1.210 121.783 120.570 0.005 0.000 3.904 419 I HA 0.254 4.424 4.170 -0.000 0.000 0.333 419 I C 0.767 176.892 176.117 0.012 0.000 1.361 419 I CA -0.422 60.882 61.300 0.007 0.000 1.116 419 I CB -0.228 37.775 38.000 0.005 0.000 1.028 419 I HN 0.523 nan 8.210 nan 0.000 0.398 420 R N 3.227 123.736 120.500 0.015 0.000 2.643 420 R HA 0.167 4.507 4.340 -0.000 0.000 0.270 420 R C -0.593 175.722 176.300 0.026 0.000 1.061 420 R CA 0.010 56.123 56.100 0.021 0.000 1.107 420 R CB 0.667 30.980 30.300 0.021 0.000 0.999 420 R HN 0.297 nan 8.270 nan 0.000 0.460 421 K N 3.645 124.065 120.400 0.035 0.000 2.292 421 K HA 0.162 4.481 4.320 -0.000 0.000 0.270 421 K C -1.214 175.415 176.600 0.048 0.000 1.062 421 K CA -0.620 55.690 56.287 0.038 0.000 0.916 421 K CB 1.294 33.818 32.500 0.039 0.000 1.166 421 K HN 0.497 nan 8.250 nan 0.000 0.458 422 D N 4.405 124.831 120.400 0.044 0.000 2.393 422 D HA 0.093 4.733 4.640 -0.000 0.000 0.232 422 D C 0.281 176.613 176.300 0.054 0.000 1.192 422 D CA -0.303 53.729 54.000 0.054 0.000 0.882 422 D CB 0.759 41.595 40.800 0.060 0.000 1.038 422 D HN 0.084 nan 8.370 nan 0.000 0.499 423 L N 3.045 124.303 121.223 0.058 0.000 2.453 423 L HA 0.318 4.657 4.340 -0.000 0.000 0.261 423 L C -1.779 175.116 176.870 0.042 0.000 1.179 423 L CA -1.823 53.046 54.840 0.048 0.000 0.813 423 L CB -0.763 41.330 42.059 0.056 0.000 1.110 423 L HN 0.050 nan 8.230 nan 0.000 0.466 424 P HA 0.041 nan 4.420 nan 0.000 0.269 424 P C -0.891 176.422 177.300 0.021 0.000 1.209 424 P CA -0.233 62.882 63.100 0.025 0.000 0.776 424 P CB 0.393 32.104 31.700 0.018 0.000 0.876 425 D N 2.196 122.614 120.400 0.030 0.000 2.383 425 D HA 0.091 4.731 4.640 -0.000 0.000 0.252 425 D C 0.062 176.393 176.300 0.052 0.000 1.166 425 D CA 0.335 54.360 54.000 0.043 0.000 0.879 425 D CB 0.462 41.292 40.800 0.049 0.000 1.164 425 D HN 0.229 nan 8.370 nan 0.000 0.462 426 L N 2.303 123.581 121.223 0.091 0.000 2.257 426 L HA 0.269 4.609 4.340 -0.000 0.000 0.290 426 L C -0.017 177.018 176.870 0.275 0.000 1.044 426 L CA -0.855 54.089 54.840 0.174 0.000 0.810 426 L CB 1.437 43.722 42.059 0.376 0.000 1.193 426 L HN -0.001 nan 8.230 nan 0.000 0.425 427 V N 3.833 123.798 119.914 0.085 0.000 2.481 427 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 427 V C -0.533 175.556 176.094 -0.008 0.000 1.042 427 V CA -0.382 61.999 62.300 0.135 0.000 0.928 427 V CB 1.334 33.192 31.823 0.059 0.000 0.986 427 V HN 0.394 nan 8.190 nan 0.000 0.462 428 Y N 2.859 123.208 120.300 0.081 0.000 2.598 428 Y HA 0.484 5.034 4.550 -0.000 0.000 0.340 428 Y C 0.895 176.821 175.900 0.043 0.000 1.038 428 Y CA -1.190 56.947 58.100 0.061 0.000 1.100 428 Y CB 1.607 40.104 38.460 0.062 0.000 1.281 428 Y HN 0.387 nan 8.280 nan 0.000 0.488 429 M N -0.107 119.597 119.600 0.175 0.000 2.216 429 M HA 0.033 4.513 4.480 -0.000 0.000 0.264 429 M C 0.759 177.119 176.300 0.100 0.000 1.080 429 M CA 1.002 56.364 55.300 0.103 0.000 1.153 429 M CB -1.069 31.571 32.600 0.066 0.000 1.356 429 M HN 0.769 nan 8.290 nan 0.000 0.432 430 T N -2.135 112.485 114.554 0.109 0.000 2.950 430 T HA 0.328 4.678 4.350 -0.000 0.000 0.288 430 T C 0.963 175.696 174.700 0.056 0.000 1.035 430 T CA -0.728 61.414 62.100 0.069 0.000 1.028 430 T CB 2.198 71.094 68.868 0.047 0.000 1.109 430 T HN 0.068 nan 8.240 nan 0.000 0.514 431 E N 0.661 120.876 120.200 0.025 0.000 2.150 431 E HA -0.061 4.289 4.350 -0.000 0.000 0.193 431 E C 2.328 178.905 176.600 -0.039 0.000 0.985 431 E CA 1.387 57.786 56.400 -0.002 0.000 0.814 431 E CB -0.756 28.944 29.700 0.000 0.000 0.752 431 E HN 0.814 nan 8.360 nan 0.000 0.466 432 A N 1.507 124.312 122.820 -0.024 0.000 1.898 432 A HA -0.190 4.130 4.320 -0.000 0.000 0.216 432 A C 2.033 179.579 177.584 -0.064 0.000 1.181 432 A CA 1.343 53.355 52.037 -0.042 0.000 0.620 432 A CB -0.423 18.566 19.000 -0.018 0.000 0.819 432 A HN 0.188 nan 8.150 nan 0.000 0.442 433 E N -0.345 119.845 120.200 -0.017 0.000 2.153 433 E HA -0.206 4.143 4.350 -0.000 0.000 0.194 433 E C 2.015 178.448 176.600 -0.279 0.000 0.988 433 E CA 1.321 57.735 56.400 0.023 0.000 0.811 433 E CB -0.074 29.766 29.700 0.233 0.000 0.746 433 E HN 0.669 nan 8.360 nan 0.000 0.466 434 K N 1.416 121.605 120.400 -0.352 0.000 1.979 434 K HA -0.128 4.192 4.320 -0.000 0.000 0.213 434 K C 2.371 178.665 176.600 -0.509 0.000 1.036 434 K CA 1.362 57.275 56.287 -0.624 0.000 0.954 434 K CB -0.347 31.995 32.500 -0.264 0.000 0.743 434 K HN 0.149 nan 8.250 nan 0.000 0.443 435 I N -0.517 119.880 120.570 -0.289 0.000 2.367 435 I HA -0.309 3.861 4.170 -0.000 0.000 0.256 435 I C 1.845 177.816 176.117 -0.244 0.000 1.132 435 I CA 1.528 62.686 61.300 -0.236 0.000 1.397 435 I CB -0.374 37.541 38.000 -0.142 0.000 1.074 435 I HN 0.275 nan 8.210 nan 0.000 0.435 436 Q N 1.286 120.944 119.800 -0.236 0.000 2.212 436 Q HA 0.185 4.525 4.340 -0.000 0.000 0.199 436 Q C 2.356 178.228 176.000 -0.212 0.000 0.950 436 Q CA 1.789 57.485 55.803 -0.178 0.000 0.863 436 Q CB -0.210 28.462 28.738 -0.110 0.000 0.944 436 Q HN 0.684 nan 8.270 nan 0.000 0.465 437 A N 0.310 122.932 122.820 -0.331 0.000 2.066 437 A HA -0.033 4.287 4.320 -0.000 0.000 0.218 437 A C 1.874 179.202 177.584 -0.427 0.000 1.157 437 A CA 1.068 52.919 52.037 -0.308 0.000 0.670 437 A CB -0.704 18.078 19.000 -0.363 0.000 0.804 437 A HN 0.545 nan 8.150 nan 0.000 0.453 438 I N -1.838 118.386 120.570 -0.577 0.000 2.494 438 I HA -0.001 4.169 4.170 -0.000 0.000 0.250 438 I C 2.140 178.109 176.117 -0.246 0.000 1.112 438 I CA 1.088 62.063 61.300 -0.542 0.000 1.438 438 I CB -0.413 37.225 38.000 -0.603 0.000 1.111 438 I HN 0.296 nan 8.210 nan 0.000 0.431 439 I N 0.116 120.561 120.570 -0.209 0.000 2.614 439 I HA -0.119 4.051 4.170 -0.000 0.000 0.258 439 I C 2.286 178.342 176.117 -0.103 0.000 1.189 439 I CA 1.539 62.757 61.300 -0.137 0.000 1.462 439 I CB -0.596 37.325 38.000 -0.130 0.000 1.092 439 I HN 0.261 nan 8.210 nan 0.000 0.442 440 E N 1.827 121.959 120.200 -0.114 0.000 2.158 440 E HA -0.224 4.126 4.350 -0.000 0.000 0.191 440 E C 1.726 178.293 176.600 -0.056 0.000 0.982 440 E CA 1.424 57.781 56.400 -0.073 0.000 0.823 440 E CB -0.060 29.601 29.700 -0.065 0.000 0.766 440 E HN 0.586 nan 8.360 nan 0.000 0.468 441 D N -0.117 120.241 120.400 -0.070 0.000 2.120 441 D HA -0.108 4.532 4.640 -0.000 0.000 0.202 441 D C 2.063 178.350 176.300 -0.022 0.000 0.972 441 D CA 1.764 55.746 54.000 -0.030 0.000 0.837 441 D CB -0.195 40.613 40.800 0.014 0.000 0.989 441 D HN 0.408 nan 8.370 nan 0.000 0.469 442 I N -1.054 119.507 120.570 -0.015 0.000 2.142 442 I HA -0.184 3.986 4.170 -0.000 0.000 0.240 442 I C 2.282 178.394 176.117 -0.008 0.000 1.078 442 I CA 1.248 62.552 61.300 0.007 0.000 1.343 442 I CB -0.661 37.344 38.000 0.009 0.000 1.046 442 I HN -0.119 nan 8.210 nan 0.000 0.405 443 K N 1.424 121.811 120.400 -0.023 0.000 2.127 443 K HA -0.286 4.034 4.320 -0.000 0.000 0.208 443 K C 2.026 178.616 176.600 -0.016 0.000 1.047 443 K CA 2.245 58.520 56.287 -0.020 0.000 0.927 443 K CB -0.366 32.116 32.500 -0.030 0.000 0.716 443 K HN 0.706 nan 8.250 nan 0.000 0.450 444 E N 0.138 120.325 120.200 -0.021 0.000 1.999 444 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 444 E C 1.886 178.473 176.600 -0.023 0.000 0.995 444 E CA 1.157 57.544 56.400 -0.022 0.000 0.825 444 E CB -0.123 29.561 29.700 -0.026 0.000 0.777 444 E HN 0.300 nan 8.360 nan 0.000 0.459 445 R N 0.172 120.652 120.500 -0.034 0.000 2.170 445 R HA -0.134 4.206 4.340 -0.000 0.000 0.242 445 R C 2.437 178.730 176.300 -0.012 0.000 1.145 445 R CA 1.607 57.684 56.100 -0.037 0.000 0.984 445 R CB -0.717 29.543 30.300 -0.066 0.000 0.869 445 R HN 0.271 nan 8.270 nan 0.000 0.455 446 T N 1.400 115.954 114.554 0.000 0.000 2.607 446 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 446 T C 2.087 176.793 174.700 0.010 0.000 1.049 446 T CA 1.879 63.987 62.100 0.014 0.000 1.162 446 T CB -0.396 68.481 68.868 0.015 0.000 0.863 446 T HN 0.483 nan 8.240 nan 0.000 0.424 447 A N 1.516 124.337 122.820 0.002 0.000 1.917 447 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 447 A C 2.178 179.760 177.584 -0.003 0.000 1.182 447 A CA 1.975 54.013 52.037 0.001 0.000 0.633 447 A CB -0.575 18.422 19.000 -0.004 0.000 0.819 447 A HN 0.538 nan 8.150 nan 0.000 0.448 448 K N -1.720 118.673 120.400 -0.010 0.000 2.360 448 K HA 0.029 4.349 4.320 -0.000 0.000 0.201 448 K C 1.125 177.715 176.600 -0.016 0.000 1.046 448 K CA 0.654 56.931 56.287 -0.017 0.000 0.940 448 K CB -0.291 32.193 32.500 -0.026 0.000 0.748 448 K HN 0.835 nan 8.250 nan 0.000 0.465 449 G N 1.538 110.335 108.800 -0.006 0.000 2.130 449 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.216 449 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.216 449 G C -0.347 174.547 174.900 -0.011 0.000 0.999 449 G CA 0.003 45.100 45.100 -0.006 0.000 0.686 449 G HN 0.381 nan 8.290 nan 0.000 0.515 450 Q N 0.858 120.657 119.800 -0.002 0.000 2.316 450 Q HA 0.602 4.942 4.340 -0.000 0.000 0.264 450 Q C -2.471 173.549 176.000 0.034 0.000 0.987 450 Q CA -2.369 53.436 55.803 0.003 0.000 0.852 450 Q CB 2.685 31.419 28.738 -0.006 0.000 1.287 450 Q HN 0.251 nan 8.270 nan 0.000 0.448 451 P HA 0.098 nan 4.420 nan 0.000 0.274 451 P C -1.235 176.117 177.300 0.087 0.000 1.237 451 P CA -0.316 62.827 63.100 0.073 0.000 0.793 451 P CB 1.408 33.154 31.700 0.077 0.000 0.977 452 V N 3.770 123.737 119.914 0.088 0.000 2.697 452 V HA 0.407 4.527 4.120 -0.000 0.000 0.300 452 V C -1.295 174.835 176.094 0.059 0.000 1.115 452 V CA -0.861 61.498 62.300 0.098 0.000 0.912 452 V CB 1.526 33.438 31.823 0.149 0.000 1.024 452 V HN 0.451 nan 8.190 nan 0.000 0.431 453 L N 6.723 127.959 121.223 0.021 0.000 2.322 453 L HA 0.835 5.174 4.340 -0.000 0.000 0.279 453 L C -0.842 176.011 176.870 -0.029 0.000 1.036 453 L CA -0.425 54.418 54.840 0.004 0.000 0.807 453 L CB 1.920 43.977 42.059 -0.003 0.000 1.226 453 L HN 0.602 nan 8.230 nan 0.000 0.433 454 V N 3.129 123.036 119.914 -0.011 0.000 2.628 454 V HA 0.722 4.842 4.120 -0.000 0.000 0.306 454 V C 0.335 176.416 176.094 -0.021 0.000 1.045 454 V CA -0.463 61.822 62.300 -0.026 0.000 0.905 454 V CB 1.679 33.500 31.823 -0.003 0.000 0.997 454 V HN 0.880 nan 8.190 nan 0.000 0.436 455 G N 1.445 110.222 108.800 -0.038 0.000 2.452 455 G HA2 0.710 4.670 3.960 -0.000 0.000 0.324 455 G HA3 0.710 4.670 3.960 -0.000 0.000 0.324 455 G C -0.454 174.462 174.900 0.026 0.000 1.214 455 G CA -0.284 44.813 45.100 -0.005 0.000 0.947 455 G HN 0.842 nan 8.290 nan 0.000 0.478 456 T N -0.537 114.046 114.554 0.048 0.000 2.916 456 T HA 0.464 4.814 4.350 -0.000 0.000 0.292 456 T C 1.563 176.314 174.700 0.086 0.000 1.055 456 T CA -0.449 61.690 62.100 0.064 0.000 1.009 456 T CB 1.565 70.464 68.868 0.050 0.000 1.118 456 T HN 0.711 nan 8.240 nan 0.000 0.497 457 I N 0.115 120.747 120.570 0.103 0.000 2.286 457 I HA 0.175 4.345 4.170 -0.000 0.000 0.245 457 I C 0.845 177.025 176.117 0.105 0.000 1.104 457 I CA 0.278 61.656 61.300 0.130 0.000 1.397 457 I CB -0.441 37.641 38.000 0.137 0.000 1.072 457 I HN 0.729 nan 8.210 nan 0.000 0.417 458 S N -0.558 115.189 115.700 0.079 0.000 2.638 458 S HA 0.511 4.981 4.470 -0.000 0.000 0.274 458 S C 0.460 175.091 174.600 0.052 0.000 1.157 458 S CA -0.826 57.413 58.200 0.066 0.000 0.826 458 S CB 1.539 64.776 63.200 0.061 0.000 1.139 458 S HN 0.172 nan 8.310 nan 0.000 0.474 459 I N 1.315 121.913 120.570 0.046 0.000 2.315 459 I HA -0.200 3.970 4.170 -0.000 0.000 0.251 459 I C 2.360 178.498 176.117 0.034 0.000 1.125 459 I CA 1.308 62.632 61.300 0.039 0.000 1.392 459 I CB -0.518 37.503 38.000 0.035 0.000 1.065 459 I HN 0.671 nan 8.210 nan 0.000 0.424 460 E N 1.660 121.881 120.200 0.034 0.000 2.019 460 E HA -0.245 4.105 4.350 -0.000 0.000 0.208 460 E C 2.046 178.662 176.600 0.026 0.000 1.030 460 E CA 1.486 57.903 56.400 0.029 0.000 0.856 460 E CB -0.587 29.131 29.700 0.030 0.000 0.781 460 E HN 0.463 nan 8.360 nan 0.000 0.471 461 K N 0.817 121.235 120.400 0.030 0.000 2.209 461 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 461 K C 2.241 178.855 176.600 0.024 0.000 1.048 461 K CA 0.676 56.978 56.287 0.025 0.000 0.940 461 K CB -0.607 31.913 32.500 0.033 0.000 0.729 461 K HN 0.020 nan 8.250 nan 0.000 0.451 462 S N 1.270 116.989 115.700 0.032 0.000 2.368 462 S HA -0.133 4.337 4.470 -0.000 0.000 0.225 462 S C 1.694 176.316 174.600 0.037 0.000 1.030 462 S CA 1.104 59.325 58.200 0.035 0.000 0.999 462 S CB 0.079 63.303 63.200 0.040 0.000 0.844 462 S HN 0.253 nan 8.310 nan 0.000 0.459 463 E N 1.478 121.697 120.200 0.031 0.000 2.047 463 E HA -0.081 4.268 4.350 -0.000 0.000 0.191 463 E C 2.238 178.852 176.600 0.023 0.000 0.987 463 E CA 0.969 57.388 56.400 0.032 0.000 0.799 463 E CB -0.773 28.941 29.700 0.023 0.000 0.752 463 E HN 0.530 nan 8.360 nan 0.000 0.449 464 L N 0.758 121.988 121.223 0.011 0.000 1.990 464 L HA -0.185 4.154 4.340 -0.000 0.000 0.213 464 L C 2.610 179.468 176.870 -0.020 0.000 1.072 464 L CA 1.173 56.011 54.840 -0.003 0.000 0.755 464 L CB -0.992 41.066 42.059 -0.003 0.000 0.889 464 L HN -0.040 nan 8.230 nan 0.000 0.432 465 V N -0.824 119.075 119.914 -0.023 0.000 2.759 465 V HA -0.237 3.883 4.120 -0.000 0.000 0.256 465 V C 2.712 178.751 176.094 -0.092 0.000 1.080 465 V CA 1.773 64.039 62.300 -0.056 0.000 1.101 465 V CB -0.286 31.511 31.823 -0.043 0.000 0.698 465 V HN 0.485 nan 8.190 nan 0.000 0.477 466 S N 0.615 116.298 115.700 -0.029 0.000 2.368 466 S HA -0.172 4.297 4.470 -0.000 0.000 0.224 466 S C 1.911 176.474 174.600 -0.061 0.000 1.029 466 S CA 1.630 59.843 58.200 0.021 0.000 0.988 466 S CB -0.306 63.029 63.200 0.224 0.000 0.838 466 S HN 0.685 nan 8.310 nan 0.000 0.462 467 N N 1.162 119.851 118.700 -0.017 0.000 2.135 467 N HA -0.019 4.720 4.740 -0.000 0.000 0.186 467 N C 1.613 177.081 175.510 -0.070 0.000 1.027 467 N CA 1.039 54.078 53.050 -0.018 0.000 0.849 467 N CB -0.514 37.972 38.487 -0.003 0.000 1.002 467 N HN 0.450 nan 8.380 nan 0.000 0.425 468 E N 1.221 121.371 120.200 -0.083 0.000 2.267 468 E HA -0.114 4.235 4.350 -0.000 0.000 0.197 468 E C 1.982 178.501 176.600 -0.135 0.000 0.998 468 E CA 0.289 56.633 56.400 -0.093 0.000 0.830 468 E CB -0.131 29.516 29.700 -0.088 0.000 0.751 468 E HN 0.380 nan 8.360 nan 0.000 0.491 469 L N 0.127 121.219 121.223 -0.219 0.000 2.249 469 L HA -0.034 4.306 4.340 -0.000 0.000 0.207 469 L C 2.397 179.100 176.870 -0.278 0.000 1.090 469 L CA 1.093 55.752 54.840 -0.301 0.000 0.802 469 L CB 0.043 41.806 42.059 -0.493 0.000 0.947 469 L HN 0.061 nan 8.230 nan 0.000 0.453 470 T N -1.103 113.306 114.554 -0.241 0.000 3.043 470 T HA -0.163 4.187 4.350 -0.000 0.000 0.263 470 T C 1.838 176.521 174.700 -0.027 0.000 1.094 470 T CA 1.034 63.106 62.100 -0.046 0.000 1.127 470 T CB 0.064 69.006 68.868 0.124 0.000 0.905 470 T HN 0.225 nan 8.240 nan 0.000 0.490 471 K N 0.452 120.822 120.400 -0.049 0.000 2.148 471 K HA 0.151 4.471 4.320 -0.000 0.000 0.204 471 K C 1.783 178.361 176.600 -0.036 0.000 1.050 471 K CA 1.055 57.321 56.287 -0.035 0.000 0.942 471 K CB -0.244 32.233 32.500 -0.039 0.000 0.724 471 K HN 0.310 nan 8.250 nan 0.000 0.446 472 A N 0.588 123.377 122.820 -0.052 0.000 2.327 472 A HA 0.252 4.572 4.320 -0.000 0.000 0.228 472 A C 0.645 178.210 177.584 -0.032 0.000 1.275 472 A CA 0.425 52.435 52.037 -0.045 0.000 0.875 472 A CB -0.568 18.396 19.000 -0.059 0.000 0.925 472 A HN 0.444 nan 8.150 nan 0.000 0.493 473 G N 0.036 108.823 108.800 -0.022 0.000 2.370 473 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.295 473 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.295 473 G C -0.323 174.576 174.900 -0.002 0.000 1.045 473 G CA 0.438 45.533 45.100 -0.007 0.000 1.199 473 G HN 0.678 nan 8.290 nan 0.000 0.513 474 I N -0.104 120.470 120.570 0.006 0.000 2.497 474 I HA 0.265 4.435 4.170 -0.000 0.000 0.284 474 I C -0.229 175.950 176.117 0.102 0.000 1.060 474 I CA -1.199 60.114 61.300 0.023 0.000 1.071 474 I CB 1.960 39.948 38.000 -0.020 0.000 1.216 474 I HN -0.096 nan 8.210 nan 0.000 0.442 475 K N 6.723 127.179 120.400 0.093 0.000 2.294 475 K HA 0.167 4.487 4.320 -0.000 0.000 0.288 475 K C 0.057 176.741 176.600 0.139 0.000 1.072 475 K CA 0.033 56.384 56.287 0.108 0.000 0.960 475 K CB -0.290 32.231 32.500 0.035 0.000 1.043 475 K HN 0.473 nan 8.250 nan 0.000 0.455 476 H N 0.241 119.301 119.070 -0.015 0.000 3.065 476 H HA 0.550 5.106 4.556 -0.000 0.000 0.279 476 H C -0.607 174.710 175.328 -0.018 0.000 1.594 476 H CA -0.973 55.068 56.048 -0.012 0.000 1.547 476 H CB 1.040 30.795 29.762 -0.012 0.000 1.771 476 H HN 0.262 nan 8.280 nan 0.000 0.871 477 N N -0.898 117.720 118.700 -0.137 0.000 2.357 477 N HA 0.437 5.177 4.740 -0.000 0.000 0.284 477 N C -1.700 173.749 175.510 -0.102 0.000 1.236 477 N CA -0.465 52.468 53.050 -0.194 0.000 0.774 477 N CB 3.090 41.529 38.487 -0.080 0.000 1.534 477 N HN 0.400 nan 8.380 nan 0.000 0.478 478 V N 2.338 122.185 119.914 -0.112 0.000 2.686 478 V HA 0.562 4.681 4.120 -0.000 0.000 0.306 478 V C -0.688 175.385 176.094 -0.035 0.000 1.065 478 V CA -0.686 61.593 62.300 -0.035 0.000 0.894 478 V CB 2.042 33.850 31.823 -0.025 0.000 1.004 478 V HN 0.432 nan 8.190 nan 0.000 0.424 479 L N 4.388 125.609 121.223 -0.003 0.000 2.381 479 L HA 0.648 4.988 4.340 -0.000 0.000 0.274 479 L C 0.151 177.033 176.870 0.021 0.000 0.988 479 L CA -0.505 54.337 54.840 0.003 0.000 0.824 479 L CB 1.971 44.038 42.059 0.013 0.000 1.263 479 L HN 0.608 nan 8.230 nan 0.000 0.410 480 N N 2.865 121.578 118.700 0.022 0.000 2.282 480 N HA 0.202 4.942 4.740 -0.000 0.000 0.240 480 N C 0.703 176.232 175.510 0.032 0.000 1.182 480 N CA 0.402 53.471 53.050 0.031 0.000 0.874 480 N CB 1.630 40.133 38.487 0.028 0.000 1.126 480 N HN 0.802 nan 8.380 nan 0.000 0.516 481 A N 0.675 123.517 122.820 0.036 0.000 2.872 481 A HA -0.285 4.034 4.320 -0.000 0.000 0.273 481 A C 1.242 178.697 177.584 -0.214 0.000 1.442 481 A CA 1.374 53.428 52.037 0.029 0.000 0.801 481 A CB -2.023 17.067 19.000 0.150 0.000 1.031 481 A HN 0.416 nan 8.150 nan 0.000 0.582 482 K N -1.730 118.578 120.400 -0.153 0.000 2.216 482 K HA 0.294 4.614 4.320 -0.000 0.000 0.207 482 K C -0.194 176.244 176.600 -0.269 0.000 1.041 482 K CA 0.941 57.153 56.287 -0.125 0.000 0.966 482 K CB 0.256 32.861 32.500 0.174 0.000 0.955 482 K HN 0.432 nan 8.250 nan 0.000 0.468 483 F N 2.492 122.275 119.950 -0.278 0.000 2.395 483 F HA 0.196 4.723 4.527 -0.000 0.000 0.347 483 F C 1.121 176.783 175.800 -0.228 0.000 1.157 483 F CA -0.595 57.272 58.000 -0.221 0.000 1.272 483 F CB 0.044 38.964 39.000 -0.134 0.000 1.607 483 F HN 0.117 nan 8.300 nan 0.000 0.571 484 H N 1.196 120.235 119.070 -0.051 0.000 2.321 484 H HA -0.245 4.311 4.556 -0.000 0.000 0.295 484 H C 2.210 177.239 175.328 -0.500 0.000 1.102 484 H CA 1.572 57.496 56.048 -0.207 0.000 1.266 484 H CB -0.456 29.229 29.762 -0.128 0.000 1.363 484 H HN 0.522 nan 8.280 nan 0.000 0.492 485 A N 1.809 124.453 122.820 -0.294 0.000 1.869 485 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 485 A C 2.389 179.843 177.584 -0.217 0.000 1.203 485 A CA 2.115 53.943 52.037 -0.348 0.000 0.638 485 A CB -0.476 18.511 19.000 -0.022 0.000 0.831 485 A HN 0.454 nan 8.150 nan 0.000 0.450 486 N N -0.323 118.347 118.700 -0.051 0.000 2.171 486 N HA -0.115 4.624 4.740 -0.000 0.000 0.184 486 N C 1.673 177.142 175.510 -0.069 0.000 1.021 486 N CA 1.464 54.490 53.050 -0.040 0.000 0.854 486 N CB -0.504 37.977 38.487 -0.010 0.000 0.994 486 N HN 0.678 nan 8.380 nan 0.000 0.426 487 E N 1.368 121.533 120.200 -0.058 0.000 2.070 487 E HA -0.179 4.171 4.350 -0.000 0.000 0.197 487 E C 2.014 178.571 176.600 -0.072 0.000 1.004 487 E CA 1.376 57.746 56.400 -0.050 0.000 0.805 487 E CB -0.163 29.532 29.700 -0.009 0.000 0.744 487 E HN 0.352 nan 8.360 nan 0.000 0.451 488 A N 1.509 124.236 122.820 -0.154 0.000 1.908 488 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 488 A C 2.429 179.972 177.584 -0.068 0.000 1.181 488 A CA 1.860 53.809 52.037 -0.147 0.000 0.627 488 A CB -0.759 18.023 19.000 -0.365 0.000 0.818 488 A HN 0.314 nan 8.150 nan 0.000 0.445 489 A N -0.198 122.578 122.820 -0.073 0.000 1.933 489 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 489 A C 2.129 179.698 177.584 -0.025 0.000 1.175 489 A CA 1.600 53.615 52.037 -0.036 0.000 0.628 489 A CB -0.552 18.427 19.000 -0.036 0.000 0.814 489 A HN 0.526 nan 8.150 nan 0.000 0.444 490 I N -0.414 120.137 120.570 -0.032 0.000 2.286 490 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 490 I C 2.220 178.337 176.117 0.000 0.000 1.104 490 I CA 0.920 62.207 61.300 -0.021 0.000 1.397 490 I CB -0.311 37.667 38.000 -0.036 0.000 1.072 490 I HN 0.137 nan 8.210 nan 0.000 0.417 491 V N 1.342 121.255 119.914 -0.001 0.000 2.490 491 V HA -0.239 3.880 4.120 -0.000 0.000 0.250 491 V C 2.592 178.704 176.094 0.029 0.000 1.061 491 V CA 1.742 64.051 62.300 0.016 0.000 1.064 491 V CB -1.100 30.731 31.823 0.013 0.000 0.670 491 V HN 0.488 nan 8.190 nan 0.000 0.461 492 A N -1.238 121.595 122.820 0.021 0.000 2.216 492 A HA -0.102 4.218 4.320 -0.000 0.000 0.214 492 A C 1.949 179.567 177.584 0.057 0.000 1.160 492 A CA 1.006 53.058 52.037 0.025 0.000 0.725 492 A CB -0.171 18.828 19.000 -0.002 0.000 0.784 492 A HN 0.508 nan 8.150 nan 0.000 0.472 493 Q N -1.838 118.006 119.800 0.073 0.000 2.149 493 Q HA 0.332 4.672 4.340 -0.000 0.000 0.221 493 Q C 1.329 177.422 176.000 0.154 0.000 0.807 493 Q CA 0.642 56.525 55.803 0.132 0.000 1.000 493 Q CB 0.281 29.080 28.738 0.102 0.000 1.157 493 Q HN 0.555 nan 8.270 nan 0.000 0.487 494 A N 0.177 123.062 122.820 0.109 0.000 2.255 494 A HA 0.151 4.471 4.320 -0.000 0.000 0.206 494 A C 1.618 179.278 177.584 0.127 0.000 1.193 494 A CA 1.110 53.209 52.037 0.103 0.000 0.794 494 A CB -0.349 18.691 19.000 0.067 0.000 0.794 494 A HN 0.275 nan 8.150 nan 0.000 0.481 495 G N -2.267 106.629 108.800 0.161 0.000 3.088 495 G HA2 0.227 4.187 3.960 -0.000 0.000 0.217 495 G HA3 0.227 4.187 3.960 -0.000 0.000 0.217 495 G C 0.133 175.126 174.900 0.154 0.000 1.159 495 G CA -0.303 44.886 45.100 0.149 0.000 0.760 495 G HN 0.421 nan 8.290 nan 0.000 0.550 496 Y N 2.356 122.713 120.300 0.096 0.000 2.442 496 Y HA 0.151 4.700 4.550 -0.000 0.000 0.330 496 Y C -0.498 175.432 175.900 0.050 0.000 1.129 496 Y CA -1.721 56.431 58.100 0.087 0.000 1.365 496 Y CB 1.436 39.946 38.460 0.082 0.000 1.233 496 Y HN 0.007 nan 8.280 nan 0.000 0.529 497 P HA -0.302 nan 4.420 nan 0.000 0.222 497 P C -0.418 176.936 177.300 0.089 0.000 1.154 497 P CA 2.087 65.178 63.100 -0.014 0.000 0.874 497 P CB 0.114 31.757 31.700 -0.094 0.000 0.787 498 A N -0.505 122.438 122.820 0.205 0.000 2.664 498 A HA 0.657 4.977 4.320 -0.000 0.000 0.338 498 A C -0.241 177.440 177.584 0.160 0.000 1.280 498 A CA -0.112 52.016 52.037 0.153 0.000 0.809 498 A CB 0.403 19.488 19.000 0.140 0.000 1.114 498 A HN 0.242 nan 8.150 nan 0.000 0.479 499 A N 1.381 124.278 122.820 0.128 0.000 2.459 499 A HA 0.711 5.031 4.320 -0.000 0.000 0.296 499 A C -1.310 176.326 177.584 0.087 0.000 1.039 499 A CA -0.406 51.698 52.037 0.112 0.000 0.698 499 A CB 1.563 20.653 19.000 0.149 0.000 1.261 499 A HN 0.993 nan 8.150 nan 0.000 0.405 500 V N 2.074 122.035 119.914 0.078 0.000 2.525 500 V HA 0.724 4.844 4.120 -0.000 0.000 0.299 500 V C -0.354 175.791 176.094 0.084 0.000 1.034 500 V CA -0.263 62.086 62.300 0.082 0.000 0.863 500 V CB 2.022 33.901 31.823 0.093 0.000 0.999 500 V HN 0.995 nan 8.190 nan 0.000 0.423 501 T N 5.844 120.441 114.554 0.071 0.000 2.893 501 T HA 0.680 5.030 4.350 -0.000 0.000 0.293 501 T C -0.598 174.140 174.700 0.062 0.000 1.027 501 T CA -0.348 61.788 62.100 0.059 0.000 0.988 501 T CB 1.837 70.728 68.868 0.038 0.000 1.043 501 T HN 0.384 nan 8.240 nan 0.000 0.461 502 I N 2.413 123.027 120.570 0.073 0.000 2.382 502 I HA 0.636 4.806 4.170 -0.000 0.000 0.285 502 I C 0.081 176.225 176.117 0.045 0.000 1.007 502 I CA -0.766 60.574 61.300 0.067 0.000 1.142 502 I CB 1.238 39.304 38.000 0.110 0.000 1.289 502 I HN 0.718 nan 8.210 nan 0.000 0.453 503 A N 4.806 127.646 122.820 0.033 0.000 2.330 503 A HA 0.883 5.203 4.320 -0.000 0.000 0.329 503 A C -0.038 177.568 177.584 0.037 0.000 1.135 503 A CA -0.409 51.647 52.037 0.032 0.000 0.817 503 A CB 1.324 20.340 19.000 0.027 0.000 1.269 503 A HN 0.587 nan 8.150 nan 0.000 0.469 504 T N 0.181 114.761 114.554 0.044 0.000 2.888 504 T HA 0.179 4.529 4.350 -0.000 0.000 0.283 504 T C 1.600 176.330 174.700 0.051 0.000 1.013 504 T CA -0.524 61.606 62.100 0.050 0.000 0.938 504 T CB 0.329 69.229 68.868 0.053 0.000 1.298 504 T HN 0.669 nan 8.240 nan 0.000 0.580 505 N N 0.469 119.202 118.700 0.055 0.000 2.023 505 N HA -0.130 4.610 4.740 -0.000 0.000 0.200 505 N C 0.649 176.178 175.510 0.033 0.000 1.048 505 N CA 1.779 54.853 53.050 0.040 0.000 0.872 505 N CB -0.258 38.252 38.487 0.039 0.000 1.070 505 N HN 0.436 nan 8.380 nan 0.000 0.441 506 M N -0.065 119.566 119.600 0.052 0.000 3.170 506 M HA 0.369 4.849 4.480 -0.000 0.000 0.263 506 M C 0.730 177.092 176.300 0.103 0.000 1.153 506 M CA -0.361 54.975 55.300 0.059 0.000 0.949 506 M CB 1.485 34.121 32.600 0.060 0.000 1.291 506 M HN 0.028 nan 8.290 nan 0.000 0.550 507 A N 0.903 123.772 122.820 0.082 0.000 1.819 507 A HA 0.303 4.623 4.320 -0.000 0.000 0.215 507 A C 1.739 179.385 177.584 0.104 0.000 1.226 507 A CA 1.400 53.493 52.037 0.092 0.000 0.608 507 A CB -0.977 18.057 19.000 0.056 0.000 0.877 507 A HN 0.625 nan 8.150 nan 0.000 0.452 508 G N -0.013 108.822 108.800 0.058 0.000 4.222 508 G HA2 0.384 4.344 3.960 -0.000 0.000 0.301 508 G HA3 0.384 4.344 3.960 -0.000 0.000 0.301 508 G C 0.246 175.164 174.900 0.031 0.000 1.171 508 G CA -0.253 44.871 45.100 0.041 0.000 0.937 508 G HN 0.714 nan 8.290 nan 0.000 0.557 509 R N -0.284 120.231 120.500 0.024 0.000 2.502 509 R HA 0.425 4.765 4.340 -0.000 0.000 0.292 509 R C 1.016 177.324 176.300 0.014 0.000 0.998 509 R CA 0.669 56.775 56.100 0.010 0.000 1.056 509 R CB 0.410 30.707 30.300 -0.004 0.000 0.939 509 R HN 0.453 nan 8.270 nan 0.000 0.411 510 G N 2.000 110.809 108.800 0.014 0.000 2.253 510 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.209 510 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.209 510 G C -0.097 174.819 174.900 0.027 0.000 0.997 510 G CA 0.037 45.147 45.100 0.017 0.000 0.640 510 G HN 0.658 nan 8.290 nan 0.000 0.496 511 T N 1.638 116.215 114.554 0.039 0.000 2.733 511 T HA 0.485 4.835 4.350 -0.000 0.000 0.294 511 T C -0.397 174.313 174.700 0.016 0.000 0.956 511 T CA 0.145 62.265 62.100 0.033 0.000 0.987 511 T CB 1.607 70.501 68.868 0.043 0.000 0.920 511 T HN 0.381 nan 8.240 nan 0.000 0.470 512 D N 3.335 123.736 120.400 0.001 0.000 2.401 512 D HA 0.077 4.717 4.640 -0.000 0.000 0.254 512 D C -0.127 176.188 176.300 0.025 0.000 1.192 512 D CA -0.215 53.791 54.000 0.009 0.000 0.885 512 D CB 0.344 41.141 40.800 -0.005 0.000 1.147 512 D HN 0.429 nan 8.370 nan 0.000 0.478 513 I N 4.948 125.544 120.570 0.044 0.000 2.256 513 I HA 0.111 4.281 4.170 -0.000 0.000 0.294 513 I C -0.161 176.018 176.117 0.104 0.000 1.127 513 I CA -0.900 60.441 61.300 0.067 0.000 1.247 513 I CB 0.700 38.737 38.000 0.061 0.000 1.460 513 I HN 0.164 nan 8.210 nan 0.000 0.511 514 V N 7.109 127.104 119.914 0.135 0.000 2.572 514 V HA 0.057 4.176 4.120 -0.000 0.000 0.291 514 V C 0.712 176.990 176.094 0.307 0.000 1.039 514 V CA -0.432 62.012 62.300 0.239 0.000 1.055 514 V CB 0.873 32.851 31.823 0.258 0.000 0.969 514 V HN 0.496 nan 8.190 nan 0.000 0.482 515 L N 5.133 126.532 121.223 0.293 0.000 2.534 515 L HA 0.336 4.676 4.340 -0.000 0.000 0.271 515 L C 1.368 178.356 176.870 0.197 0.000 1.178 515 L CA 1.063 55.984 54.840 0.134 0.000 0.907 515 L CB -0.189 41.804 42.059 -0.109 0.000 1.164 515 L HN 1.069 nan 8.230 nan 0.000 0.482 516 G N 2.001 110.850 108.800 0.082 0.000 2.159 516 G HA2 0.023 3.983 3.960 -0.000 0.000 0.227 516 G HA3 0.023 3.983 3.960 -0.000 0.000 0.227 516 G C 0.466 175.488 174.900 0.203 0.000 0.986 516 G CA -0.113 44.960 45.100 -0.044 0.000 0.651 516 G HN 1.415 nan 8.290 nan 0.000 0.523 517 G N -1.575 107.466 108.800 0.401 0.000 2.663 517 G HA2 0.371 4.331 3.960 -0.000 0.000 0.686 517 G HA3 0.371 4.331 3.960 -0.000 0.000 0.686 517 G C -0.272 174.894 174.900 0.444 0.000 1.288 517 G CA 0.474 45.858 45.100 0.473 0.000 0.836 517 G HN 1.836 nan 8.290 nan 0.000 0.584 518 S N 0.739 116.564 115.700 0.207 0.000 2.520 518 S HA 0.522 4.991 4.470 -0.000 0.000 0.324 518 S C 1.327 175.862 174.600 -0.108 0.000 1.069 518 S CA 0.241 58.391 58.200 -0.082 0.000 1.121 518 S CB -0.049 63.078 63.200 -0.122 0.000 0.971 518 S HN 1.220 nan 8.310 nan 0.000 0.463 519 W N 4.134 125.244 121.300 -0.316 0.000 2.465 519 W HA -0.062 4.598 4.660 -0.000 0.000 0.268 519 W C 0.658 177.100 176.519 -0.128 0.000 1.242 519 W CA 0.387 57.630 57.345 -0.170 0.000 1.248 519 W CB -0.947 28.380 29.460 -0.222 0.000 1.118 519 W HN 0.602 nan 8.180 nan 0.000 0.587 520 Q N 1.651 120.961 119.800 -0.817 0.000 2.170 520 Q HA -0.057 4.283 4.340 -0.000 0.000 0.203 520 Q C 2.707 178.541 176.000 -0.276 0.000 0.976 520 Q CA 2.885 58.290 55.803 -0.663 0.000 0.858 520 Q CB -0.855 27.416 28.738 -0.778 0.000 0.907 520 Q HN 0.342 nan 8.270 nan 0.000 0.433 521 A N 0.137 122.838 122.820 -0.197 0.000 2.066 521 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 521 A C 1.751 179.320 177.584 -0.026 0.000 1.157 521 A CA 1.063 53.047 52.037 -0.089 0.000 0.670 521 A CB -0.175 18.791 19.000 -0.057 0.000 0.804 521 A HN 0.332 nan 8.150 nan 0.000 0.453 522 E N -0.302 119.904 120.200 0.011 0.000 2.076 522 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 522 E C 2.129 178.770 176.600 0.069 0.000 0.979 522 E CA 1.341 57.786 56.400 0.075 0.000 0.807 522 E CB -0.156 29.641 29.700 0.161 0.000 0.761 522 E HN 0.587 nan 8.360 nan 0.000 0.454 523 V N -1.067 118.889 119.914 0.070 0.000 2.453 523 V HA 0.029 4.149 4.120 -0.000 0.000 0.247 523 V C 2.101 178.208 176.094 0.023 0.000 1.048 523 V CA 1.491 63.833 62.300 0.071 0.000 1.049 523 V CB -0.547 31.342 31.823 0.110 0.000 0.672 523 V HN 0.158 nan 8.190 nan 0.000 0.457 524 A N 0.269 123.080 122.820 -0.015 0.000 2.239 524 A HA 0.608 4.928 4.320 -0.000 0.000 0.209 524 A C 1.732 179.313 177.584 -0.005 0.000 1.171 524 A CA 0.895 52.919 52.037 -0.020 0.000 0.768 524 A CB -0.636 18.334 19.000 -0.048 0.000 0.790 524 A HN 1.121 nan 8.150 nan 0.000 0.478 525 A N -0.156 122.668 122.820 0.007 0.000 3.041 525 A HA 0.637 4.957 4.320 -0.000 0.000 0.307 525 A C -0.282 177.314 177.584 0.021 0.000 1.116 525 A CA -0.173 51.871 52.037 0.012 0.000 1.001 525 A CB -0.262 18.746 19.000 0.013 0.000 1.112 525 A HN 0.540 nan 8.150 nan 0.000 0.556 526 L N -0.304 120.932 121.223 0.021 0.000 2.680 526 L HA 0.283 4.623 4.340 -0.000 0.000 0.260 526 L C 0.539 177.422 176.870 0.021 0.000 0.975 526 L CA -0.292 54.563 54.840 0.025 0.000 0.920 526 L CB 1.267 43.347 42.059 0.036 0.000 1.234 526 L HN 0.504 nan 8.230 nan 0.000 0.429 527 E N 1.448 121.658 120.200 0.017 0.000 2.339 527 E HA -0.223 4.127 4.350 -0.000 0.000 0.201 527 E C 0.206 176.816 176.600 0.017 0.000 1.015 527 E CA 1.017 57.426 56.400 0.015 0.000 0.841 527 E CB 0.029 29.736 29.700 0.013 0.000 0.754 527 E HN 0.452 nan 8.360 nan 0.000 0.508 528 N N 0.966 119.678 118.700 0.020 0.000 2.817 528 N HA 0.071 4.811 4.740 -0.000 0.000 0.234 528 N C -2.579 172.946 175.510 0.026 0.000 1.066 528 N CA -2.040 51.023 53.050 0.021 0.000 0.926 528 N CB 0.827 39.327 38.487 0.020 0.000 1.176 528 N HN -0.189 nan 8.380 nan 0.000 0.506 529 P HA 0.122 nan 4.420 nan 0.000 0.252 529 P C -0.959 176.360 177.300 0.032 0.000 1.727 529 P CA -0.065 63.053 63.100 0.031 0.000 1.134 529 P CB 0.049 31.765 31.700 0.027 0.000 1.876 530 T N 1.807 116.382 114.554 0.034 0.000 2.823 530 T HA 0.372 4.721 4.350 -0.000 0.000 0.279 530 T C 1.489 176.210 174.700 0.035 0.000 0.998 530 T CA -0.325 61.793 62.100 0.030 0.000 0.994 530 T CB 1.751 70.634 68.868 0.026 0.000 0.960 530 T HN 0.155 nan 8.240 nan 0.000 0.448 531 A N 2.049 124.887 122.820 0.031 0.000 2.272 531 A HA -0.060 4.260 4.320 -0.000 0.000 0.213 531 A C 1.871 179.469 177.584 0.024 0.000 1.183 531 A CA 1.283 53.339 52.037 0.030 0.000 0.719 531 A CB -0.432 18.582 19.000 0.024 0.000 0.771 531 A HN 0.746 nan 8.150 nan 0.000 0.484 532 E N -0.370 119.844 120.200 0.024 0.000 2.045 532 E HA -0.052 4.297 4.350 -0.000 0.000 0.190 532 E C 2.191 178.805 176.600 0.023 0.000 0.968 532 E CA 1.299 57.710 56.400 0.019 0.000 0.813 532 E CB -0.340 29.371 29.700 0.018 0.000 0.780 532 E HN 0.635 nan 8.360 nan 0.000 0.455 533 Q N 0.532 120.350 119.800 0.031 0.000 2.124 533 Q HA -0.082 4.258 4.340 -0.000 0.000 0.202 533 Q C 2.323 178.352 176.000 0.048 0.000 0.977 533 Q CA 1.428 57.254 55.803 0.039 0.000 0.850 533 Q CB -0.637 28.128 28.738 0.044 0.000 0.901 533 Q HN 0.539 nan 8.270 nan 0.000 0.429 534 I N -1.211 119.393 120.570 0.056 0.000 2.248 534 I HA -0.249 3.920 4.170 -0.000 0.000 0.248 534 I C 1.517 177.642 176.117 0.013 0.000 1.107 534 I CA 1.492 62.836 61.300 0.073 0.000 1.373 534 I CB -0.337 37.721 38.000 0.097 0.000 1.055 534 I HN 0.004 nan 8.210 nan 0.000 0.418 535 E N 1.678 121.876 120.200 -0.003 0.000 2.110 535 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 535 E C 1.696 178.279 176.600 -0.028 0.000 0.988 535 E CA 1.187 57.567 56.400 -0.034 0.000 0.804 535 E CB -0.239 29.450 29.700 -0.019 0.000 0.745 535 E HN 0.416 nan 8.360 nan 0.000 0.458 536 K N 0.441 120.843 120.400 0.002 0.000 2.589 536 K HA 0.069 4.389 4.320 -0.000 0.000 0.204 536 K C 0.927 177.549 176.600 0.037 0.000 1.029 536 K CA 0.148 56.443 56.287 0.015 0.000 1.177 536 K CB 0.062 32.576 32.500 0.024 0.000 0.902 536 K HN 0.011 nan 8.250 nan 0.000 0.501 537 I N -1.296 119.292 120.570 0.030 0.000 4.399 537 I HA 0.032 4.202 4.170 -0.000 0.000 0.301 537 I C 1.531 177.646 176.117 -0.004 0.000 1.198 537 I CA 0.102 61.453 61.300 0.085 0.000 1.315 537 I CB -0.273 37.819 38.000 0.152 0.000 1.452 537 I HN 0.038 nan 8.210 nan 0.000 0.457 538 K N 2.057 122.324 120.400 -0.221 0.000 2.365 538 K HA 0.108 4.428 4.320 -0.000 0.000 0.199 538 K C 1.513 177.955 176.600 -0.263 0.000 1.045 538 K CA 1.153 57.059 56.287 -0.635 0.000 0.962 538 K CB 0.432 32.465 32.500 -0.778 0.000 0.759 538 K HN 0.308 nan 8.250 nan 0.000 0.469 539 A N -0.295 122.456 122.820 -0.115 0.000 2.192 539 A HA 0.032 4.352 4.320 -0.000 0.000 0.208 539 A C 1.739 179.302 177.584 -0.034 0.000 1.220 539 A CA 0.236 52.232 52.037 -0.067 0.000 0.900 539 A CB 0.108 19.071 19.000 -0.062 0.000 0.937 539 A HN 0.174 nan 8.150 nan 0.000 0.487 540 D N -0.922 119.483 120.400 0.009 0.000 2.120 540 D HA -0.141 4.499 4.640 -0.000 0.000 0.202 540 D C 1.655 177.981 176.300 0.044 0.000 0.972 540 D CA 1.267 55.286 54.000 0.031 0.000 0.837 540 D CB -0.159 40.685 40.800 0.073 0.000 0.989 540 D HN 0.599 nan 8.370 nan 0.000 0.469 541 W N 2.086 123.346 121.300 -0.066 0.000 2.355 541 W HA -0.233 4.426 4.660 -0.000 0.000 0.309 541 W C 2.296 178.786 176.519 -0.048 0.000 1.206 541 W CA 1.893 59.218 57.345 -0.032 0.000 1.284 541 W CB -0.625 28.831 29.460 -0.007 0.000 1.145 541 W HN -0.059 nan 8.180 nan 0.000 0.502 542 Q N 0.738 120.362 119.800 -0.294 0.000 2.268 542 Q HA -0.221 4.119 4.340 -0.000 0.000 0.210 542 Q C 1.775 177.506 176.000 -0.447 0.000 0.988 542 Q CA 2.893 58.357 55.803 -0.565 0.000 0.883 542 Q CB -0.655 27.960 28.738 -0.205 0.000 0.911 542 Q HN 0.336 nan 8.270 nan 0.000 0.430 543 V N -0.076 119.662 119.914 -0.294 0.000 2.283 543 V HA -0.200 3.920 4.120 -0.000 0.000 0.243 543 V C 2.268 178.205 176.094 -0.262 0.000 1.039 543 V CA 2.087 64.260 62.300 -0.212 0.000 1.016 543 V CB -0.526 31.219 31.823 -0.129 0.000 0.650 543 V HN 0.337 nan 8.190 nan 0.000 0.449 544 R N -0.766 119.544 120.500 -0.316 0.000 2.103 544 R HA -0.213 4.127 4.340 -0.000 0.000 0.242 544 R C 2.392 178.457 176.300 -0.392 0.000 1.142 544 R CA 1.850 57.737 56.100 -0.355 0.000 0.960 544 R CB -0.675 29.355 30.300 -0.451 0.000 0.858 544 R HN 0.651 nan 8.270 nan 0.000 0.439 545 H N 1.550 120.208 119.070 -0.688 0.000 2.325 545 H HA -0.157 4.399 4.556 -0.000 0.000 0.296 545 H C 1.281 176.397 175.328 -0.353 0.000 1.053 545 H CA 2.031 57.703 56.048 -0.627 0.000 1.204 545 H CB -0.216 28.865 29.762 -1.135 0.000 1.383 545 H HN 0.151 nan 8.280 nan 0.000 0.532 546 D N 0.582 120.896 120.400 -0.142 0.000 2.239 546 D HA -0.156 4.484 4.640 -0.000 0.000 0.202 546 D C 2.086 178.285 176.300 -0.169 0.000 0.993 546 D CA 1.110 55.046 54.000 -0.107 0.000 0.874 546 D CB -0.325 40.448 40.800 -0.045 0.000 0.922 546 D HN 0.497 nan 8.370 nan 0.000 0.464 547 A N 0.706 123.414 122.820 -0.188 0.000 1.873 547 A HA -0.106 4.214 4.320 -0.000 0.000 0.215 547 A C 2.598 180.087 177.584 -0.158 0.000 1.186 547 A CA 1.024 52.970 52.037 -0.152 0.000 0.616 547 A CB -0.705 18.206 19.000 -0.149 0.000 0.823 547 A HN 0.140 nan 8.150 nan 0.000 0.442 548 V N 0.207 119.996 119.914 -0.209 0.000 2.343 548 V HA -0.265 3.855 4.120 -0.000 0.000 0.247 548 V C 2.551 178.542 176.094 -0.171 0.000 1.051 548 V CA 1.863 64.056 62.300 -0.179 0.000 1.036 548 V CB -0.845 30.857 31.823 -0.201 0.000 0.654 548 V HN 0.542 nan 8.190 nan 0.000 0.451 549 L N -0.222 120.855 121.223 -0.243 0.000 1.970 549 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 549 L C 2.700 179.505 176.870 -0.109 0.000 1.071 549 L CA 2.001 56.729 54.840 -0.187 0.000 0.751 549 L CB -0.639 41.287 42.059 -0.221 0.000 0.889 549 L HN 0.370 nan 8.230 nan 0.000 0.432 550 E N -0.187 119.953 120.200 -0.101 0.000 2.219 550 E HA -0.239 4.111 4.350 -0.000 0.000 0.198 550 E C 1.586 178.151 176.600 -0.058 0.000 0.998 550 E CA 1.059 57.419 56.400 -0.068 0.000 0.818 550 E CB -0.188 29.474 29.700 -0.063 0.000 0.741 550 E HN 0.501 nan 8.360 nan 0.000 0.477 551 A N 0.347 123.126 122.820 -0.068 0.000 2.310 551 A HA 0.332 4.652 4.320 -0.000 0.000 0.230 551 A C 1.395 178.953 177.584 -0.042 0.000 1.294 551 A CA 0.578 52.583 52.037 -0.053 0.000 0.898 551 A CB -0.509 18.458 19.000 -0.054 0.000 0.917 551 A HN 0.289 nan 8.150 nan 0.000 0.491 552 G N -1.784 106.991 108.800 -0.041 0.000 2.147 552 G HA2 0.139 4.099 3.960 -0.000 0.000 0.244 552 G HA3 0.139 4.099 3.960 -0.000 0.000 0.244 552 G C 1.463 176.356 174.900 -0.012 0.000 1.005 552 G CA 0.532 45.618 45.100 -0.022 0.000 0.713 552 G HN 2.240 nan 8.290 nan 0.000 0.515 553 G N -1.022 107.755 108.800 -0.038 0.000 2.578 553 G HA2 0.059 4.019 3.960 -0.000 0.000 0.284 553 G HA3 0.059 4.019 3.960 -0.000 0.000 0.284 553 G C 0.237 175.142 174.900 0.008 0.000 1.283 553 G CA 0.459 45.538 45.100 -0.035 0.000 0.944 553 G HN 1.819 nan 8.290 nan 0.000 0.558 554 L N 0.574 121.811 121.223 0.024 0.000 2.371 554 L HA 0.709 5.049 4.340 -0.000 0.000 0.272 554 L C 0.284 177.206 176.870 0.087 0.000 1.124 554 L CA -0.215 54.656 54.840 0.052 0.000 0.816 554 L CB 1.127 43.209 42.059 0.038 0.000 1.129 554 L HN 0.939 nan 8.230 nan 0.000 0.448 555 H N 4.385 123.453 119.070 -0.002 0.000 2.547 555 H HA 0.618 5.174 4.556 -0.000 0.000 0.342 555 H C -0.877 174.443 175.328 -0.014 0.000 1.048 555 H CA -0.771 55.273 56.048 -0.007 0.000 1.204 555 H CB 1.092 30.855 29.762 0.001 0.000 1.493 555 H HN 0.641 nan 8.280 nan 0.000 0.511 556 I N 3.744 123.997 120.570 -0.530 0.000 2.648 556 I HA 0.504 4.674 4.170 -0.000 0.000 0.304 556 I C -0.970 174.776 176.117 -0.619 0.000 1.009 556 I CA -1.046 60.009 61.300 -0.408 0.000 1.114 556 I CB 1.851 39.708 38.000 -0.239 0.000 1.293 556 I HN 0.635 nan 8.210 nan 0.000 0.449 557 I N 1.854 122.197 120.570 -0.379 0.000 2.468 557 I HA 0.733 4.902 4.170 -0.000 0.000 0.284 557 I C 0.027 175.947 176.117 -0.327 0.000 1.038 557 I CA -0.778 60.338 61.300 -0.307 0.000 1.083 557 I CB 1.463 39.509 38.000 0.078 0.000 1.223 557 I HN 0.840 nan 8.210 nan 0.000 0.443 558 G N 3.183 111.538 108.800 -0.741 0.000 2.364 558 G HA2 0.316 4.276 3.960 -0.000 0.000 0.267 558 G HA3 0.316 4.276 3.960 -0.000 0.000 0.267 558 G C 1.002 175.846 174.900 -0.093 0.000 1.233 558 G CA 0.176 44.909 45.100 -0.611 0.000 0.885 558 G HN 0.874 nan 8.290 nan 0.000 0.490 559 T N -0.832 113.753 114.554 0.052 0.000 3.055 559 T HA 0.108 4.458 4.350 -0.000 0.000 0.265 559 T C 0.562 175.368 174.700 0.177 0.000 1.111 559 T CA 1.056 63.228 62.100 0.119 0.000 1.118 559 T CB -0.320 68.588 68.868 0.066 0.000 0.909 559 T HN 0.742 nan 8.240 nan 0.000 0.501 560 E N -0.484 119.860 120.200 0.239 0.000 2.400 560 E HA 0.349 4.699 4.350 -0.000 0.000 0.285 560 E C -1.423 175.355 176.600 0.297 0.000 1.005 560 E CA -1.146 55.398 56.400 0.241 0.000 0.816 560 E CB 0.996 30.782 29.700 0.144 0.000 1.220 560 E HN 0.026 nan 8.360 nan 0.000 0.426 561 R N 1.240 121.843 120.500 0.173 0.000 2.543 561 R HA 0.183 4.523 4.340 -0.000 0.000 0.277 561 R C -0.118 176.226 176.300 0.074 0.000 1.074 561 R CA -0.216 55.898 56.100 0.023 0.000 1.076 561 R CB 0.419 30.636 30.300 -0.139 0.000 0.993 561 R HN 0.525 nan 8.270 nan 0.000 0.459 562 H N 1.093 120.163 119.070 0.000 0.000 2.547 562 H HA 0.016 4.572 4.556 -0.000 0.000 0.362 562 H C 0.965 176.284 175.328 -0.015 0.000 1.181 562 H CA -0.019 56.036 56.048 0.011 0.000 1.376 562 H CB 1.025 30.802 29.762 0.025 0.000 1.488 562 H HN 0.533 nan 8.280 nan 0.000 0.583 563 E N 1.261 121.131 120.200 -0.550 0.000 2.169 563 E HA -0.138 4.212 4.350 -0.000 0.000 0.202 563 E C -0.078 176.531 176.600 0.014 0.000 1.016 563 E CA 1.393 57.644 56.400 -0.249 0.000 0.817 563 E CB -0.055 29.453 29.700 -0.319 0.000 0.736 563 E HN 0.413 nan 8.360 nan 0.000 0.462 564 S N -0.041 115.835 115.700 0.293 0.000 2.456 564 S HA 0.252 4.722 4.470 -0.000 0.000 0.316 564 S C 0.830 175.493 174.600 0.105 0.000 1.089 564 S CA -0.572 57.738 58.200 0.183 0.000 1.101 564 S CB 2.502 65.811 63.200 0.182 0.000 0.995 564 S HN 0.177 nan 8.310 nan 0.000 0.468 565 R N 3.164 123.673 120.500 0.014 0.000 2.105 565 R HA -0.077 4.263 4.340 -0.000 0.000 0.239 565 R C 2.197 178.484 176.300 -0.020 0.000 1.135 565 R CA 1.321 57.397 56.100 -0.039 0.000 0.967 565 R CB -0.119 30.144 30.300 -0.062 0.000 0.861 565 R HN 0.608 nan 8.270 nan 0.000 0.442 566 R N 0.410 120.905 120.500 -0.008 0.000 2.113 566 R HA -0.181 4.159 4.340 -0.000 0.000 0.244 566 R C 2.127 178.420 176.300 -0.012 0.000 1.142 566 R CA 2.010 58.105 56.100 -0.009 0.000 0.953 566 R CB -0.258 30.033 30.300 -0.016 0.000 0.860 566 R HN 0.266 nan 8.270 nan 0.000 0.438 567 I N 1.748 122.297 120.570 -0.035 0.000 2.142 567 I HA -0.262 3.908 4.170 -0.000 0.000 0.240 567 I C 1.293 177.413 176.117 0.004 0.000 1.078 567 I CA 1.655 62.903 61.300 -0.087 0.000 1.343 567 I CB -1.410 36.392 38.000 -0.329 0.000 1.046 567 I HN 0.306 nan 8.210 nan 0.000 0.405 568 D N -0.642 119.789 120.400 0.052 0.000 2.504 568 D HA -0.061 4.579 4.640 -0.000 0.000 0.243 568 D C 1.047 177.447 176.300 0.166 0.000 1.203 568 D CA 0.193 54.291 54.000 0.163 0.000 0.847 568 D CB -0.389 40.470 40.800 0.099 0.000 0.973 568 D HN 0.130 nan 8.370 nan 0.000 0.490 569 N N -0.070 118.684 118.700 0.089 0.000 2.445 569 N HA -0.008 4.732 4.740 -0.000 0.000 0.204 569 N C 1.347 176.897 175.510 0.068 0.000 1.098 569 N CA 0.272 53.368 53.050 0.076 0.000 0.859 569 N CB 0.261 38.767 38.487 0.031 0.000 1.249 569 N HN 0.253 nan 8.380 nan 0.000 0.462 570 Q N 0.371 120.201 119.800 0.049 0.000 2.170 570 Q HA -0.086 4.254 4.340 -0.000 0.000 0.203 570 Q C 1.626 177.649 176.000 0.039 0.000 0.976 570 Q CA 0.925 56.747 55.803 0.031 0.000 0.858 570 Q CB 0.024 28.768 28.738 0.011 0.000 0.907 570 Q HN 0.161 nan 8.270 nan 0.000 0.433 571 L N 1.242 122.505 121.223 0.066 0.000 2.005 571 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 571 L C 2.191 179.073 176.870 0.019 0.000 1.072 571 L CA 1.742 56.609 54.840 0.044 0.000 0.744 571 L CB -0.413 41.690 42.059 0.073 0.000 0.895 571 L HN 0.011 nan 8.230 nan 0.000 0.433 572 R N -0.553 119.983 120.500 0.060 0.000 2.096 572 R HA -0.170 4.170 4.340 -0.000 0.000 0.240 572 R C 2.190 178.500 176.300 0.017 0.000 1.139 572 R CA 1.407 57.527 56.100 0.034 0.000 0.952 572 R CB -1.299 29.056 30.300 0.092 0.000 0.854 572 R HN 0.586 nan 8.270 nan 0.000 0.436 573 G N 1.010 109.827 108.800 0.029 0.000 2.485 573 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.221 573 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.221 573 G C 1.285 176.194 174.900 0.016 0.000 1.115 573 G CA 0.605 45.718 45.100 0.022 0.000 0.751 573 G HN 0.295 nan 8.290 nan 0.000 0.567 574 R N -0.176 120.330 120.500 0.010 0.000 2.355 574 R HA 0.053 4.393 4.340 -0.000 0.000 0.219 574 R C 1.079 177.385 176.300 0.011 0.000 1.107 574 R CA 0.657 56.763 56.100 0.010 0.000 1.021 574 R CB -0.063 30.238 30.300 0.003 0.000 0.852 574 R HN 0.339 nan 8.270 nan 0.000 0.475 575 S N -1.708 113.996 115.700 0.005 0.000 2.600 575 S HA 0.488 4.958 4.470 -0.000 0.000 0.300 575 S C 0.283 174.893 174.600 0.016 0.000 1.087 575 S CA -0.110 58.095 58.200 0.008 0.000 0.965 575 S CB 1.864 65.057 63.200 -0.012 0.000 1.089 575 S HN 0.356 nan 8.310 nan 0.000 0.496 576 G N 3.111 111.924 108.800 0.022 0.000 2.295 576 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.287 576 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.287 576 G C 0.070 174.985 174.900 0.025 0.000 1.055 576 G CA 0.638 45.751 45.100 0.022 0.000 0.922 576 G HN 0.929 nan 8.290 nan 0.000 0.503 577 R N -0.496 120.024 120.500 0.034 0.000 2.543 577 R HA 0.492 4.831 4.340 -0.000 0.000 0.268 577 R C 0.719 177.043 176.300 0.039 0.000 1.067 577 R CA -0.158 55.963 56.100 0.035 0.000 1.142 577 R CB 0.278 30.602 30.300 0.041 0.000 1.110 577 R HN 0.293 nan 8.270 nan 0.000 0.549 578 Q N -0.025 119.790 119.800 0.025 0.000 2.408 578 Q HA -0.228 4.112 4.340 -0.000 0.000 0.290 578 Q C 0.719 176.721 176.000 0.004 0.000 1.221 578 Q CA 1.719 57.526 55.803 0.007 0.000 0.895 578 Q CB -1.813 26.954 28.738 0.048 0.000 1.241 578 Q HN 1.192 nan 8.270 nan 0.000 0.494 579 G N -0.903 107.897 108.800 0.000 0.000 2.195 579 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.246 579 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.246 579 G C -0.105 174.807 174.900 0.019 0.000 0.984 579 G CA 0.054 45.155 45.100 0.002 0.000 0.633 579 G HN 0.422 nan 8.290 nan 0.000 0.525 580 D N 1.192 121.612 120.400 0.034 0.000 2.472 580 D HA 0.483 5.122 4.640 -0.000 0.000 0.237 580 D C 0.819 177.127 176.300 0.014 0.000 1.141 580 D CA 1.090 55.109 54.000 0.031 0.000 0.875 580 D CB 1.022 41.847 40.800 0.042 0.000 1.192 580 D HN 0.785 nan 8.370 nan 0.000 0.450 581 A N 1.878 124.699 122.820 0.000 0.000 2.309 581 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 581 A C 0.610 178.195 177.584 0.003 0.000 1.206 581 A CA 0.203 52.240 52.037 -0.001 0.000 0.850 581 A CB 0.537 19.530 19.000 -0.011 0.000 1.118 581 A HN 0.526 nan 8.150 nan 0.000 0.523 582 G N 0.534 109.345 108.800 0.019 0.000 2.782 582 G HA2 0.750 4.710 3.960 -0.000 0.000 0.304 582 G HA3 0.750 4.710 3.960 -0.000 0.000 0.304 582 G C -0.736 174.200 174.900 0.060 0.000 1.315 582 G CA 0.138 45.260 45.100 0.036 0.000 0.791 582 G HN 1.651 nan 8.290 nan 0.000 0.519 583 S N -1.522 114.237 115.700 0.098 0.000 2.565 583 S HA 0.821 5.291 4.470 -0.000 0.000 0.269 583 S C -0.754 173.876 174.600 0.051 0.000 1.153 583 S CA -0.068 58.215 58.200 0.138 0.000 0.835 583 S CB 1.452 64.795 63.200 0.239 0.000 1.122 583 S HN 2.017 nan 8.310 nan 0.000 0.462 584 S N 0.808 116.504 115.700 -0.006 0.000 2.549 584 S HA 0.872 5.342 4.470 -0.000 0.000 0.280 584 S C -1.194 173.332 174.600 -0.123 0.000 1.109 584 S CA -0.871 57.208 58.200 -0.201 0.000 0.905 584 S CB 1.983 65.111 63.200 -0.120 0.000 1.081 584 S HN 0.841 nan 8.310 nan 0.000 0.477 585 R N 0.896 121.217 120.500 -0.299 0.000 2.698 585 R HA 0.576 4.916 4.340 -0.000 0.000 0.275 585 R C -2.199 173.775 176.300 -0.544 0.000 1.001 585 R CA -0.669 55.269 56.100 -0.270 0.000 0.896 585 R CB 1.693 31.888 30.300 -0.175 0.000 1.218 585 R HN 0.758 nan 8.270 nan 0.000 0.462 586 F N 2.253 121.971 119.950 -0.386 0.000 2.507 586 F HA 0.431 4.957 4.527 -0.000 0.000 0.325 586 F C -0.561 174.990 175.800 -0.415 0.000 1.116 586 F CA -0.481 57.344 58.000 -0.291 0.000 0.930 586 F CB 1.424 40.352 39.000 -0.120 0.000 1.146 586 F HN 0.333 nan 8.300 nan 0.000 0.447 587 Y N 4.861 125.278 120.300 0.196 0.000 2.478 587 Y HA 0.502 5.052 4.550 -0.000 0.000 0.329 587 Y C -0.595 175.408 175.900 0.171 0.000 0.967 587 Y CA -0.906 57.290 58.100 0.160 0.000 1.255 587 Y CB 0.596 39.056 38.460 0.001 0.000 1.103 587 Y HN 0.290 nan 8.280 nan 0.000 0.497 588 L N 1.639 123.046 121.223 0.307 0.000 2.431 588 L HA 0.638 4.978 4.340 -0.000 0.000 0.260 588 L C 0.306 177.316 176.870 0.233 0.000 1.098 588 L CA -0.377 54.597 54.840 0.223 0.000 0.800 588 L CB 1.441 43.592 42.059 0.152 0.000 1.210 588 L HN 0.480 nan 8.230 nan 0.000 0.465 589 S N -0.154 115.641 115.700 0.158 0.000 2.571 589 S HA 0.403 4.873 4.470 -0.000 0.000 0.284 589 S C 0.754 175.414 174.600 0.100 0.000 1.128 589 S CA -0.580 57.706 58.200 0.144 0.000 0.970 589 S CB 0.853 64.116 63.200 0.105 0.000 1.039 589 S HN 0.519 nan 8.310 nan 0.000 0.485 590 M N 2.782 122.440 119.600 0.096 0.000 2.229 590 M HA 0.018 4.498 4.480 -0.000 0.000 0.264 590 M C 1.713 178.042 176.300 0.049 0.000 1.063 590 M CA 1.439 56.776 55.300 0.062 0.000 1.114 590 M CB -1.360 31.273 32.600 0.054 0.000 1.387 590 M HN 0.848 nan 8.290 nan 0.000 0.420 591 E N 0.183 120.415 120.200 0.054 0.000 2.463 591 E HA -0.175 4.175 4.350 -0.000 0.000 0.201 591 E C 0.434 177.055 176.600 0.034 0.000 1.045 591 E CA 0.467 56.891 56.400 0.040 0.000 0.872 591 E CB 0.077 29.802 29.700 0.040 0.000 0.797 591 E HN 0.367 nan 8.360 nan 0.000 0.538 592 D N 0.075 120.498 120.400 0.039 0.000 2.324 592 D HA 0.002 4.642 4.640 -0.000 0.000 0.235 592 D C -0.196 176.117 176.300 0.021 0.000 1.095 592 D CA 0.146 54.165 54.000 0.031 0.000 0.871 592 D CB 0.189 41.012 40.800 0.039 0.000 0.906 592 D HN 0.087 nan 8.370 nan 0.000 0.522 593 A N 1.301 124.133 122.820 0.020 0.000 2.899 593 A HA 0.314 4.634 4.320 -0.000 0.000 0.287 593 A C 0.337 177.926 177.584 0.009 0.000 1.715 593 A CA 0.158 52.203 52.037 0.013 0.000 1.393 593 A CB -0.651 18.357 19.000 0.013 0.000 1.070 593 A HN 0.187 nan 8.150 nan 0.000 0.587 594 L N 0.000 121.226 121.223 0.005 0.000 2.949 594 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 594 L CA 0.000 54.842 54.840 0.003 0.000 0.813 594 L CB 0.000 42.061 42.059 0.004 0.000 0.961 594 L HN 0.000 nan 8.230 nan 0.000 0.502