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 1obl_1_A DATA FIRST_RESID 1 DATA SEQUENCE MISLADLQRR IETGELSPNA AIAQSHAAIE AREKEVHAFV RHDKSARAQA DATA SEQUENCE SGPLRGIAVG IKDIIDTANM PTEMGSEIYR GWQPRSDAPV VMMLKRAGAT DATA SEQUENCE IIGKTTTTAF ASRDPTATLN PHNTGHSPGG SSAGSAAAVG AGMIPLALGT DATA SEQUENCE QTGGSVIRPA AYCGTAAIKP SFRMLPTVGV KCYSWALDTV GLFGARAEDL DATA SEQUENCE ARGLLAMTGR SEFSGIVPAK APRIGVVRQE FAGAVEPAAE QGLQAAIKAA DATA SEQUENCE ERAGASVQAI DLPEAVHEAW RIHPIIQDFE AHRALAWEFS EHHDEIAPML DATA SEQUENCE RASLDATVGL TPKEYDEARR IGRRGRRELG EVFEGVDVLL TYSAPGTAPA DATA SEQUENCE KALASTGDPR YNRLWTLMGN PCVNVPVLKV GGLPIGVQVI ARFGNDAHAL DATA SEQUENCE ATAWFLEDAL AK 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.007 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.607 32.600 0.011 0.000 1.302 2 I N 1.022 121.587 120.570 -0.009 0.000 2.353 2 I HA 0.343 4.530 4.170 0.029 0.000 0.293 2 I C 0.283 176.389 176.117 -0.018 0.000 0.992 2 I CA -0.432 60.861 61.300 -0.013 0.000 1.268 2 I CB 1.737 39.730 38.000 -0.013 0.000 1.387 2 I HN 0.564 nan 8.210 nan 0.000 0.478 3 S N 5.829 121.515 115.700 -0.023 0.000 2.475 3 S HA 0.270 4.757 4.470 0.029 0.000 0.281 3 S C 0.827 175.407 174.600 -0.034 0.000 1.198 3 S CA -0.655 57.523 58.200 -0.037 0.000 1.063 3 S CB 0.881 64.055 63.200 -0.044 0.000 0.972 3 S HN 0.672 nan 8.310 nan 0.000 0.486 4 L N 5.803 127.002 121.223 -0.041 0.000 2.005 4 L HA 0.043 4.401 4.340 0.029 0.000 0.207 4 L C 2.529 179.380 176.870 -0.032 0.000 1.072 4 L CA 1.971 56.791 54.840 -0.034 0.000 0.744 4 L CB -0.827 41.209 42.059 -0.039 0.000 0.895 4 L HN 0.865 nan 8.230 nan 0.000 0.433 5 A N -0.323 122.468 122.820 -0.048 0.000 1.908 5 A HA -0.323 4.014 4.320 0.029 0.000 0.218 5 A C 1.900 179.475 177.584 -0.016 0.000 1.181 5 A CA 2.120 54.136 52.037 -0.036 0.000 0.627 5 A CB -0.904 18.057 19.000 -0.066 0.000 0.818 5 A HN 0.649 nan 8.150 nan 0.000 0.445 6 D N -0.016 120.371 120.400 -0.022 0.000 2.087 6 D HA -0.157 4.501 4.640 0.029 0.000 0.192 6 D C 1.864 178.162 176.300 -0.003 0.000 0.993 6 D CA 1.641 55.636 54.000 -0.008 0.000 0.828 6 D CB -0.322 40.471 40.800 -0.012 0.000 0.968 6 D HN 0.404 nan 8.370 nan 0.000 0.448 7 L N -0.038 121.181 121.223 -0.007 0.000 1.990 7 L HA -0.254 4.103 4.340 0.029 0.000 0.213 7 L C 2.835 179.706 176.870 0.002 0.000 1.072 7 L CA 1.543 56.381 54.840 -0.003 0.000 0.755 7 L CB -0.719 41.336 42.059 -0.006 0.000 0.889 7 L HN 0.232 nan 8.230 nan 0.000 0.432 8 Q N -0.254 119.546 119.800 0.001 0.000 1.998 8 Q HA -0.273 4.085 4.340 0.029 0.000 0.209 8 Q C 2.397 178.404 176.000 0.012 0.000 1.002 8 Q CA 1.908 57.715 55.803 0.006 0.000 0.858 8 Q CB -0.246 28.496 28.738 0.007 0.000 0.932 8 Q HN 0.434 nan 8.270 nan 0.000 0.416 9 R N 0.257 120.766 120.500 0.015 0.000 2.112 9 R HA -0.175 4.182 4.340 0.029 0.000 0.242 9 R C 2.354 178.663 176.300 0.016 0.000 1.137 9 R CA 1.675 57.787 56.100 0.019 0.000 0.944 9 R CB -0.330 29.984 30.300 0.024 0.000 0.857 9 R HN 0.244 nan 8.270 nan 0.000 0.435 10 R N 0.152 120.660 120.500 0.013 0.000 2.127 10 R HA -0.105 4.252 4.340 0.029 0.000 0.238 10 R C 2.281 178.587 176.300 0.011 0.000 1.134 10 R CA 1.286 57.393 56.100 0.011 0.000 0.975 10 R CB -0.262 30.043 30.300 0.009 0.000 0.865 10 R HN 0.320 nan 8.270 nan 0.000 0.447 11 I N -0.008 120.568 120.570 0.010 0.000 2.480 11 I HA -0.150 4.037 4.170 0.029 0.000 0.251 11 I C 2.278 178.402 176.117 0.011 0.000 1.124 11 I CA 0.750 62.056 61.300 0.010 0.000 1.444 11 I CB -0.069 37.937 38.000 0.009 0.000 1.098 11 I HN 0.053 nan 8.210 nan 0.000 0.428 12 E N 1.009 121.216 120.200 0.013 0.000 2.204 12 E HA -0.194 4.174 4.350 0.029 0.000 0.195 12 E C 1.934 178.543 176.600 0.014 0.000 0.990 12 E CA 1.834 58.243 56.400 0.014 0.000 0.821 12 E CB -0.112 29.598 29.700 0.017 0.000 0.750 12 E HN 0.503 nan 8.360 nan 0.000 0.477 13 T N -4.298 110.264 114.554 0.014 0.000 3.081 13 T HA 0.289 4.657 4.350 0.029 0.000 0.250 13 T C 1.553 176.259 174.700 0.011 0.000 1.100 13 T CA 0.417 62.525 62.100 0.013 0.000 1.038 13 T CB 0.300 69.176 68.868 0.014 0.000 0.962 13 T HN 0.276 nan 8.240 nan 0.000 0.516 14 G N 1.436 110.243 108.800 0.011 0.000 2.157 14 G HA2 -0.314 3.664 3.960 0.029 0.000 0.248 14 G HA3 -0.314 3.664 3.960 0.029 0.000 0.248 14 G C 0.556 175.461 174.900 0.009 0.000 0.979 14 G CA 0.530 45.636 45.100 0.010 0.000 0.650 14 G HN 0.584 nan 8.290 nan 0.000 0.529 15 E N -1.019 119.187 120.200 0.010 0.000 2.106 15 E HA 0.121 4.489 4.350 0.029 0.000 0.192 15 E C 1.074 177.679 176.600 0.009 0.000 0.984 15 E CA 1.039 57.445 56.400 0.009 0.000 0.806 15 E CB 0.015 29.721 29.700 0.010 0.000 0.750 15 E HN 0.609 nan 8.360 nan 0.000 0.458 16 L N 0.141 121.370 121.223 0.009 0.000 2.370 16 L HA 0.351 4.708 4.340 0.029 0.000 0.266 16 L C -1.007 175.869 176.870 0.009 0.000 1.002 16 L CA -0.716 54.130 54.840 0.009 0.000 0.818 16 L CB 2.094 44.157 42.059 0.008 0.000 1.325 16 L HN -0.030 nan 8.230 nan 0.000 0.418 17 S N 2.786 118.492 115.700 0.010 0.000 2.509 17 S HA 0.626 5.113 4.470 0.029 0.000 0.297 17 S C -2.214 172.394 174.600 0.013 0.000 1.118 17 S CA -1.203 57.004 58.200 0.011 0.000 1.074 17 S CB 1.464 64.670 63.200 0.011 0.000 1.038 17 S HN 0.603 nan 8.310 nan 0.000 0.498 18 P HA -0.170 nan 4.420 nan 0.000 0.215 18 P C 1.155 178.468 177.300 0.022 0.000 1.163 18 P CA 1.355 64.465 63.100 0.016 0.000 0.894 18 P CB -0.034 31.675 31.700 0.015 0.000 0.791 19 N N -0.767 117.948 118.700 0.025 0.000 2.223 19 N HA -0.132 4.626 4.740 0.029 0.000 0.185 19 N C 1.678 177.211 175.510 0.038 0.000 1.016 19 N CA 1.557 54.627 53.050 0.034 0.000 0.863 19 N CB -0.768 37.734 38.487 0.026 0.000 0.983 19 N HN 0.118 nan 8.380 nan 0.000 0.429 20 A N 1.214 124.050 122.820 0.027 0.000 1.898 20 A HA 0.096 4.433 4.320 0.029 0.000 0.216 20 A C 2.439 180.038 177.584 0.026 0.000 1.181 20 A CA 1.683 53.735 52.037 0.025 0.000 0.620 20 A CB -0.759 18.251 19.000 0.017 0.000 0.819 20 A HN 0.299 nan 8.150 nan 0.000 0.442 21 A N 0.097 122.928 122.820 0.019 0.000 1.883 21 A HA -0.100 4.237 4.320 0.029 0.000 0.217 21 A C 1.996 179.585 177.584 0.008 0.000 1.186 21 A CA 1.772 53.816 52.037 0.010 0.000 0.624 21 A CB -0.514 18.489 19.000 0.005 0.000 0.822 21 A HN 0.402 nan 8.150 nan 0.000 0.444 22 I N -0.073 120.512 120.570 0.024 0.000 2.252 22 I HA -0.189 3.999 4.170 0.029 0.000 0.245 22 I C 2.928 179.104 176.117 0.099 0.000 1.102 22 I CA 1.285 62.601 61.300 0.026 0.000 1.385 22 I CB -1.682 36.360 38.000 0.071 0.000 1.064 22 I HN 0.359 nan 8.210 nan 0.000 0.414 23 A N 0.329 123.227 122.820 0.129 0.000 1.940 23 A HA -0.248 4.089 4.320 0.029 0.000 0.219 23 A C 2.269 179.918 177.584 0.109 0.000 1.176 23 A CA 1.526 53.653 52.037 0.152 0.000 0.631 23 A CB -0.595 18.452 19.000 0.078 0.000 0.814 23 A HN 0.510 nan 8.150 nan 0.000 0.446 24 Q N -0.430 119.401 119.800 0.051 0.000 2.020 24 Q HA -0.126 4.231 4.340 0.029 0.000 0.202 24 Q C 2.512 178.515 176.000 0.005 0.000 0.982 24 Q CA 1.819 57.636 55.803 0.024 0.000 0.838 24 Q CB -0.254 28.489 28.738 0.008 0.000 0.899 24 Q HN 0.649 nan 8.270 nan 0.000 0.423 25 S N 0.013 115.690 115.700 -0.039 0.000 2.359 25 S HA -0.188 4.299 4.470 0.029 0.000 0.224 25 S C 1.722 176.243 174.600 -0.130 0.000 1.035 25 S CA 1.074 59.208 58.200 -0.111 0.000 1.018 25 S CB -0.414 62.677 63.200 -0.182 0.000 0.876 25 S HN 0.408 nan 8.310 nan 0.000 0.448 26 H N 1.193 120.258 119.070 -0.007 0.000 2.387 26 H HA -0.036 4.538 4.556 0.030 0.000 0.299 26 H C 2.431 177.784 175.328 0.043 0.000 1.099 26 H CA 1.437 57.524 56.048 0.065 0.000 1.315 26 H CB -0.591 29.223 29.762 0.086 0.000 1.380 26 H HN 0.443 nan 8.280 nan 0.000 0.513 27 A N 1.032 123.928 122.820 0.127 0.000 1.854 27 A HA -0.022 4.315 4.320 0.029 0.000 0.214 27 A C 2.744 180.343 177.584 0.025 0.000 1.192 27 A CA 1.648 53.725 52.037 0.067 0.000 0.611 27 A CB -0.951 18.076 19.000 0.045 0.000 0.832 27 A HN 0.414 nan 8.150 nan 0.000 0.442 28 A N 0.016 122.834 122.820 -0.003 0.000 1.917 28 A HA -0.173 4.165 4.320 0.029 0.000 0.219 28 A C 2.135 179.696 177.584 -0.039 0.000 1.182 28 A CA 1.774 53.798 52.037 -0.023 0.000 0.633 28 A CB -0.709 18.272 19.000 -0.032 0.000 0.819 28 A HN 0.528 nan 8.150 nan 0.000 0.448 29 I N -0.707 119.809 120.570 -0.091 0.000 2.163 29 I HA -0.193 3.994 4.170 0.029 0.000 0.240 29 I C 2.417 178.503 176.117 -0.052 0.000 1.081 29 I CA 1.278 62.484 61.300 -0.158 0.000 1.353 29 I CB -0.417 37.258 38.000 -0.542 0.000 1.054 29 I HN 0.261 nan 8.210 nan 0.000 0.407 30 E N 0.985 121.195 120.200 0.016 0.000 2.204 30 E HA -0.183 4.184 4.350 0.029 0.000 0.195 30 E C 2.250 178.865 176.600 0.024 0.000 0.990 30 E CA 1.285 57.716 56.400 0.052 0.000 0.821 30 E CB -0.250 29.493 29.700 0.072 0.000 0.750 30 E HN 0.500 nan 8.360 nan 0.000 0.477 31 A N 0.811 123.636 122.820 0.010 0.000 2.015 31 A HA -0.112 4.226 4.320 0.029 0.000 0.219 31 A C 1.806 179.385 177.584 -0.008 0.000 1.163 31 A CA 1.189 53.226 52.037 0.001 0.000 0.646 31 A CB -0.027 18.970 19.000 -0.004 0.000 0.806 31 A HN 0.109 nan 8.150 nan 0.000 0.448 32 R N -1.916 118.578 120.500 -0.011 0.000 2.538 32 R HA 0.142 4.500 4.340 0.029 0.000 0.372 32 R C 0.794 177.076 176.300 -0.030 0.000 0.950 32 R CA -0.224 55.859 56.100 -0.027 0.000 1.168 32 R CB 0.236 30.512 30.300 -0.040 0.000 1.542 32 R HN 0.219 nan 8.270 nan 0.000 0.536 33 E N 1.973 122.180 120.200 0.011 0.000 2.110 33 E HA -0.124 4.244 4.350 0.029 0.000 0.193 33 E C 1.123 177.746 176.600 0.038 0.000 0.988 33 E CA 1.247 57.680 56.400 0.056 0.000 0.804 33 E CB 0.239 30.006 29.700 0.111 0.000 0.745 33 E HN 0.253 nan 8.360 nan 0.000 0.458 34 K N 0.391 120.812 120.400 0.035 0.000 2.442 34 K HA -0.119 4.218 4.320 0.029 0.000 0.198 34 K C 1.977 178.486 176.600 -0.151 0.000 1.042 34 K CA 0.780 57.110 56.287 0.070 0.000 0.958 34 K CB 0.145 32.687 32.500 0.069 0.000 0.766 34 K HN 0.166 nan 8.250 nan 0.000 0.474 35 E N 0.349 120.408 120.200 -0.236 0.000 2.244 35 E HA -0.045 4.322 4.350 0.029 0.000 0.196 35 E C 1.571 177.917 176.600 -0.422 0.000 0.939 35 E CA 0.363 56.597 56.400 -0.276 0.000 0.884 35 E CB 0.578 30.199 29.700 -0.132 0.000 0.850 35 E HN 0.004 nan 8.360 nan 0.000 0.481 36 V N 0.088 119.790 119.914 -0.353 0.000 2.795 36 V HA 0.019 4.157 4.120 0.029 0.000 0.243 36 V C 0.041 176.037 176.094 -0.163 0.000 1.069 36 V CA 1.062 63.222 62.300 -0.233 0.000 1.089 36 V CB -0.587 31.179 31.823 -0.095 0.000 0.756 36 V HN 0.416 nan 8.190 nan 0.000 0.471 37 H N -0.660 118.435 119.070 0.041 0.000 2.756 37 H HA -0.193 4.380 4.556 0.029 0.000 0.315 37 H C 1.277 176.622 175.328 0.028 0.000 1.210 37 H CA 0.135 56.212 56.048 0.048 0.000 1.150 37 H CB -1.265 28.513 29.762 0.027 0.000 1.463 37 H HN 0.497 nan 8.280 nan 0.000 0.427 38 A N -0.249 122.644 122.820 0.123 0.000 2.238 38 A HA 0.278 4.616 4.320 0.029 0.000 0.210 38 A C 0.292 177.755 177.584 -0.201 0.000 1.179 38 A CA 0.331 52.336 52.037 -0.054 0.000 0.827 38 A CB 0.381 19.302 19.000 -0.132 0.000 0.856 38 A HN 0.245 nan 8.150 nan 0.000 0.488 39 F N -1.926 118.028 119.950 0.007 0.000 2.495 39 F HA 0.400 4.944 4.527 0.029 0.000 0.327 39 F C 1.138 176.952 175.800 0.024 0.000 1.103 39 F CA -0.464 57.539 58.000 0.004 0.000 0.949 39 F CB 2.115 41.117 39.000 0.003 0.000 1.142 39 F HN -0.169 nan 8.300 nan 0.000 0.457 40 V N 2.175 122.195 119.914 0.177 0.000 2.488 40 V HA -0.002 4.135 4.120 0.029 0.000 0.246 40 V C 0.385 176.568 176.094 0.148 0.000 1.046 40 V CA 1.174 63.543 62.300 0.114 0.000 1.053 40 V CB -0.515 31.346 31.823 0.064 0.000 0.679 40 V HN 0.742 nan 8.190 nan 0.000 0.458 41 R N -0.258 120.373 120.500 0.217 0.000 2.561 41 R HA 0.419 4.777 4.340 0.029 0.000 0.266 41 R C -1.171 175.275 176.300 0.243 0.000 1.091 41 R CA -0.657 55.552 56.100 0.182 0.000 0.927 41 R CB 1.046 31.417 30.300 0.118 0.000 1.240 41 R HN 0.364 nan 8.270 nan 0.000 0.449 42 H N 1.811 120.884 119.070 0.005 0.000 2.539 42 H HA 0.170 4.744 4.556 0.029 0.000 0.332 42 H C -1.174 174.125 175.328 -0.048 0.000 1.031 42 H CA -0.724 55.242 56.048 -0.136 0.000 1.206 42 H CB 1.889 31.479 29.762 -0.287 0.000 1.446 42 H HN 0.688 nan 8.280 nan 0.000 0.496 43 D N 5.352 125.860 120.400 0.180 0.000 2.483 43 D HA 0.023 4.680 4.640 0.029 0.000 0.220 43 D C 0.807 177.101 176.300 -0.010 0.000 1.173 43 D CA -0.215 53.812 54.000 0.045 0.000 0.964 43 D CB 0.627 41.484 40.800 0.095 0.000 1.046 43 D HN 0.548 nan 8.370 nan 0.000 0.517 44 K N 0.935 121.117 120.400 -0.364 0.000 2.211 44 K HA -0.124 4.214 4.320 0.029 0.000 0.204 44 K C 1.625 177.986 176.600 -0.399 0.000 1.047 44 K CA 1.089 57.082 56.287 -0.490 0.000 0.935 44 K CB -0.072 32.145 32.500 -0.472 0.000 0.728 44 K HN 0.431 nan 8.250 nan 0.000 0.452 45 S N 0.305 115.891 115.700 -0.190 0.000 2.562 45 S HA 0.131 4.618 4.470 0.029 0.000 0.221 45 S C 0.909 175.485 174.600 -0.041 0.000 0.975 45 S CA -0.048 58.070 58.200 -0.137 0.000 0.918 45 S CB -0.081 63.069 63.200 -0.085 0.000 0.772 45 S HN 0.219 nan 8.310 nan 0.000 0.531 46 A N 2.289 125.159 122.820 0.083 0.000 2.567 46 A HA 0.397 4.735 4.320 0.029 0.000 0.240 46 A C 0.523 178.241 177.584 0.224 0.000 1.053 46 A CA -0.082 52.059 52.037 0.174 0.000 0.755 46 A CB 0.053 19.192 19.000 0.232 0.000 0.978 46 A HN 0.631 nan 8.150 nan 0.000 0.507 47 R N 1.484 122.054 120.500 0.118 0.000 2.854 47 R HA 0.659 5.016 4.340 0.029 0.000 0.271 47 R C -0.013 176.328 176.300 0.069 0.000 0.994 47 R CA -0.505 55.653 56.100 0.096 0.000 0.945 47 R CB 1.921 32.248 30.300 0.045 0.000 1.194 47 R HN 0.834 nan 8.270 nan 0.000 0.476 48 A N 1.417 124.272 122.820 0.057 0.000 2.406 48 A HA 0.120 4.458 4.320 0.029 0.000 0.243 48 A C -0.122 177.478 177.584 0.027 0.000 1.082 48 A CA 0.002 52.061 52.037 0.037 0.000 0.786 48 A CB 0.352 19.371 19.000 0.032 0.000 1.029 48 A HN 0.604 nan 8.150 nan 0.000 0.495 49 Q N -0.473 119.339 119.800 0.021 0.000 2.193 49 Q HA 0.508 4.865 4.340 0.029 0.000 0.246 49 Q C 1.058 177.066 176.000 0.014 0.000 0.959 49 Q CA -0.139 55.674 55.803 0.017 0.000 0.904 49 Q CB 1.610 30.357 28.738 0.015 0.000 1.238 49 Q HN 0.822 nan 8.270 nan 0.000 0.469 50 A N 0.655 123.482 122.820 0.012 0.000 2.016 50 A HA -0.004 4.334 4.320 0.029 0.000 0.217 50 A C 0.774 178.364 177.584 0.010 0.000 1.162 50 A CA 1.257 53.300 52.037 0.010 0.000 0.662 50 A CB 0.105 19.110 19.000 0.009 0.000 0.812 50 A HN 0.638 nan 8.150 nan 0.000 0.450 51 S N -3.118 112.588 115.700 0.010 0.000 2.651 51 S HA 0.692 5.179 4.470 0.029 0.000 0.279 51 S C -0.177 174.429 174.600 0.010 0.000 1.148 51 S CA -0.021 58.185 58.200 0.010 0.000 0.837 51 S CB 1.196 64.402 63.200 0.010 0.000 1.138 51 S HN 2.072 nan 8.310 nan 0.000 0.478 52 G N 1.276 110.083 108.800 0.011 0.000 2.674 52 G HA2 0.070 4.048 3.960 0.029 0.000 0.686 52 G HA3 0.070 4.048 3.960 0.029 0.000 0.686 52 G C -2.094 172.812 174.900 0.011 0.000 1.195 52 G CA -0.277 44.830 45.100 0.011 0.000 0.776 52 G HN 0.637 nan 8.290 nan 0.000 0.654 53 P HA -0.053 nan 4.420 nan 0.000 0.221 53 P C 1.471 178.775 177.300 0.007 0.000 1.145 53 P CA 1.011 64.118 63.100 0.012 0.000 0.795 53 P CB 0.178 31.887 31.700 0.014 0.000 0.775 54 L N -0.508 120.718 121.223 0.006 0.000 2.700 54 L HA 0.190 4.547 4.340 0.029 0.000 0.234 54 L C 1.272 178.145 176.870 0.005 0.000 1.156 54 L CA -0.595 54.246 54.840 0.003 0.000 0.946 54 L CB -0.325 41.734 42.059 -0.000 0.000 1.216 54 L HN -0.032 nan 8.230 nan 0.000 0.493 55 R N 0.214 120.718 120.500 0.008 0.000 2.489 55 R HA 0.334 4.691 4.340 0.029 0.000 0.287 55 R C 0.853 177.158 176.300 0.008 0.000 1.053 55 R CA 0.659 56.764 56.100 0.009 0.000 1.036 55 R CB 0.168 30.474 30.300 0.011 0.000 0.966 55 R HN 0.153 nan 8.270 nan 0.000 0.432 56 G N 2.596 111.402 108.800 0.010 0.000 2.175 56 G HA2 -0.194 3.783 3.960 0.029 0.000 0.244 56 G HA3 -0.194 3.783 3.960 0.029 0.000 0.244 56 G C -0.075 174.824 174.900 -0.000 0.000 0.982 56 G CA -0.024 45.081 45.100 0.008 0.000 0.641 56 G HN 0.542 nan 8.290 nan 0.000 0.527 57 I N 1.673 122.242 120.570 -0.002 0.000 2.312 57 I HA 0.647 4.834 4.170 0.029 0.000 0.290 57 I C 0.811 176.921 176.117 -0.012 0.000 1.008 57 I CA -1.080 60.215 61.300 -0.008 0.000 1.226 57 I CB 0.711 38.707 38.000 -0.006 0.000 1.371 57 I HN 0.329 nan 8.210 nan 0.000 0.468 58 A N 7.186 129.991 122.820 -0.026 0.000 2.366 58 A HA 0.648 4.986 4.320 0.029 0.000 0.272 58 A C -0.219 177.362 177.584 -0.005 0.000 1.135 58 A CA -0.320 51.694 52.037 -0.038 0.000 0.804 58 A CB 0.593 19.534 19.000 -0.100 0.000 1.064 58 A HN 0.477 nan 8.150 nan 0.000 0.499 59 V N 2.118 122.042 119.914 0.016 0.000 2.588 59 V HA 0.654 4.792 4.120 0.029 0.000 0.304 59 V C 0.723 176.861 176.094 0.074 0.000 1.042 59 V CA -0.288 62.035 62.300 0.038 0.000 0.877 59 V CB 1.816 33.656 31.823 0.029 0.000 0.996 59 V HN 1.146 nan 8.190 nan 0.000 0.425 60 G N 4.632 113.473 108.800 0.069 0.000 2.348 60 G HA2 0.660 4.638 3.960 0.029 0.000 0.312 60 G HA3 0.660 4.638 3.960 0.029 0.000 0.312 60 G C -0.769 174.126 174.900 -0.009 0.000 1.126 60 G CA -0.400 44.733 45.100 0.056 0.000 0.865 60 G HN 0.443 nan 8.290 nan 0.000 0.474 61 I N 1.723 122.294 120.570 0.002 0.000 2.389 61 I HA 0.271 4.459 4.170 0.029 0.000 0.288 61 I C 0.499 176.595 176.117 -0.034 0.000 0.999 61 I CA -1.175 60.125 61.300 -0.000 0.000 1.129 61 I CB 1.548 39.567 38.000 0.031 0.000 1.288 61 I HN 0.529 nan 8.210 nan 0.000 0.444 62 K N 4.019 124.397 120.400 -0.038 0.000 2.511 62 K HA -0.131 4.206 4.320 0.029 0.000 0.280 62 K C 0.450 177.036 176.600 -0.024 0.000 1.008 62 K CA 0.254 56.511 56.287 -0.050 0.000 1.050 62 K CB 0.468 32.963 32.500 -0.009 0.000 0.889 62 K HN 0.432 nan 8.250 nan 0.000 0.484 63 D N 4.222 124.598 120.400 -0.039 0.000 2.403 63 D HA -0.032 4.625 4.640 0.029 0.000 0.260 63 D C 0.791 177.076 176.300 -0.026 0.000 1.243 63 D CA 0.417 54.404 54.000 -0.021 0.000 0.918 63 D CB -0.239 40.546 40.800 -0.025 0.000 0.939 63 D HN 0.584 nan 8.370 nan 0.000 0.507 64 I N -3.626 116.935 120.570 -0.015 0.000 4.154 64 I HA 0.294 4.482 4.170 0.029 0.000 0.334 64 I C 0.149 176.282 176.117 0.027 0.000 1.371 64 I CA -0.283 61.008 61.300 -0.015 0.000 1.110 64 I CB 0.349 38.345 38.000 -0.006 0.000 1.085 64 I HN -0.230 nan 8.210 nan 0.000 0.398 65 I N 3.120 123.711 120.570 0.035 0.000 2.304 65 I HA 0.245 4.433 4.170 0.029 0.000 0.291 65 I C -0.465 175.682 176.117 0.051 0.000 1.018 65 I CA -0.467 60.862 61.300 0.048 0.000 1.260 65 I CB 0.619 38.646 38.000 0.045 0.000 1.390 65 I HN 0.003 nan 8.210 nan 0.000 0.475 66 D N 5.005 125.442 120.400 0.063 0.000 2.488 66 D HA 0.122 4.779 4.640 0.029 0.000 0.238 66 D C 0.179 176.498 176.300 0.032 0.000 1.138 66 D CA 0.670 54.706 54.000 0.060 0.000 0.873 66 D CB 0.806 41.649 40.800 0.071 0.000 1.183 66 D HN 0.577 nan 8.370 nan 0.000 0.458 67 T N -1.876 112.686 114.554 0.013 0.000 2.893 67 T HA 0.643 5.010 4.350 0.029 0.000 0.293 67 T C 0.600 175.281 174.700 -0.031 0.000 1.027 67 T CA -0.893 61.207 62.100 0.001 0.000 0.988 67 T CB 1.956 70.832 68.868 0.013 0.000 1.043 67 T HN 0.157 nan 8.240 nan 0.000 0.461 68 A N 2.068 124.870 122.820 -0.030 0.000 2.081 68 A HA 0.096 4.434 4.320 0.029 0.000 0.214 68 A C 1.906 179.458 177.584 -0.054 0.000 1.158 68 A CA 0.691 52.697 52.037 -0.052 0.000 0.724 68 A CB -0.438 18.540 19.000 -0.036 0.000 0.826 68 A HN 0.886 nan 8.150 nan 0.000 0.463 69 N N -1.147 117.534 118.700 -0.031 0.000 2.220 69 N HA 0.179 4.936 4.740 0.029 0.000 0.195 69 N C 0.059 175.556 175.510 -0.020 0.000 1.123 69 N CA 0.122 53.157 53.050 -0.025 0.000 0.874 69 N CB 0.133 38.615 38.487 -0.008 0.000 0.995 69 N HN 0.406 nan 8.380 nan 0.000 0.498 70 M N 0.189 119.778 119.600 -0.018 0.000 2.501 70 M HA 0.475 4.972 4.480 0.029 0.000 0.293 70 M C -2.838 173.450 176.300 -0.020 0.000 1.192 70 M CA -1.982 53.316 55.300 -0.003 0.000 0.886 70 M CB 2.909 35.527 32.600 0.030 0.000 1.710 70 M HN -0.318 nan 8.290 nan 0.000 0.457 71 P HA 0.106 nan 4.420 nan 0.000 0.270 71 P C -0.870 176.452 177.300 0.036 0.000 1.223 71 P CA -0.019 63.077 63.100 -0.008 0.000 0.785 71 P CB 0.490 32.209 31.700 0.031 0.000 0.923 72 T N 1.707 116.309 114.554 0.080 0.000 2.991 72 T HA 0.175 4.542 4.350 0.029 0.000 0.347 72 T C 0.440 175.275 174.700 0.225 0.000 1.122 72 T CA -0.305 61.872 62.100 0.128 0.000 1.062 72 T CB 0.181 69.135 68.868 0.144 0.000 1.043 72 T HN 0.348 nan 8.240 nan 0.000 0.491 73 E N 3.059 123.338 120.200 0.131 0.000 2.479 73 E HA 0.063 4.430 4.350 0.029 0.000 0.193 73 E C 0.752 177.337 176.600 -0.025 0.000 1.049 73 E CA -0.138 56.343 56.400 0.135 0.000 0.870 73 E CB 0.034 29.795 29.700 0.103 0.000 0.944 73 E HN 0.486 nan 8.360 nan 0.000 0.492 74 M N -1.107 118.409 119.600 -0.139 0.000 2.835 74 M HA -0.240 4.258 4.480 0.029 0.000 0.177 74 M C 1.111 177.167 176.300 -0.408 0.000 0.640 74 M CA 1.352 56.449 55.300 -0.340 0.000 0.635 74 M CB -2.847 29.366 32.600 -0.645 0.000 2.307 74 M HN 0.455 nan 8.290 nan 0.000 0.400 75 G N 0.269 108.927 108.800 -0.237 0.000 2.179 75 G HA2 -0.242 3.736 3.960 0.029 0.000 0.257 75 G HA3 -0.242 3.736 3.960 0.029 0.000 0.257 75 G C 0.087 174.823 174.900 -0.275 0.000 1.010 75 G CA 1.078 46.049 45.100 -0.215 0.000 0.736 75 G HN 1.108 nan 8.290 nan 0.000 0.513 76 S N -1.377 114.148 115.700 -0.291 0.000 2.548 76 S HA 0.603 5.090 4.470 0.029 0.000 0.286 76 S C 1.104 175.697 174.600 -0.013 0.000 1.098 76 S CA 0.245 58.312 58.200 -0.222 0.000 0.930 76 S CB 1.396 64.307 63.200 -0.483 0.000 1.070 76 S HN 0.283 nan 8.310 nan 0.000 0.480 77 E N 2.733 122.945 120.200 0.020 0.000 2.208 77 E HA -0.030 4.338 4.350 0.029 0.000 0.193 77 E C 1.412 178.043 176.600 0.051 0.000 0.988 77 E CA 0.939 57.362 56.400 0.040 0.000 0.828 77 E CB -0.170 29.549 29.700 0.030 0.000 0.763 77 E HN 0.691 nan 8.360 nan 0.000 0.478 78 I N 0.125 120.741 120.570 0.077 0.000 2.335 78 I HA -0.257 3.931 4.170 0.029 0.000 0.251 78 I C 1.039 177.064 176.117 -0.153 0.000 1.129 78 I CA 1.223 62.499 61.300 -0.039 0.000 1.402 78 I CB -0.040 38.007 38.000 0.079 0.000 1.069 78 I HN 0.137 nan 8.210 nan 0.000 0.424 79 Y N 0.261 120.575 120.300 0.024 0.000 2.681 79 Y HA 0.268 4.836 4.550 0.030 0.000 0.267 79 Y C 0.963 176.936 175.900 0.122 0.000 1.166 79 Y CA -0.622 57.514 58.100 0.060 0.000 1.209 79 Y CB -0.139 38.342 38.460 0.035 0.000 1.161 79 Y HN -0.014 nan 8.280 nan 0.000 0.534 80 R N 0.705 121.306 120.500 0.169 0.000 2.480 80 R HA 0.213 4.570 4.340 0.029 0.000 0.303 80 R C 1.247 177.642 176.300 0.159 0.000 0.985 80 R CA 1.405 57.586 56.100 0.135 0.000 1.051 80 R CB -0.166 30.181 30.300 0.078 0.000 0.935 80 R HN 0.666 nan 8.270 nan 0.000 0.410 81 G N 4.267 113.160 108.800 0.154 0.000 2.205 81 G HA2 -0.297 3.680 3.960 0.029 0.000 0.261 81 G HA3 -0.297 3.680 3.960 0.029 0.000 0.261 81 G C 0.125 175.133 174.900 0.181 0.000 0.980 81 G CA 0.168 45.347 45.100 0.133 0.000 0.632 81 G HN 0.808 nan 8.290 nan 0.000 0.533 82 W N 1.788 123.136 121.300 0.079 0.000 2.343 82 W HA 0.472 5.149 4.660 0.029 0.000 0.337 82 W C 0.040 176.606 176.519 0.078 0.000 1.320 82 W CA 0.636 58.041 57.345 0.099 0.000 1.290 82 W CB 0.591 30.187 29.460 0.226 0.000 1.206 82 W HN 0.243 nan 8.180 nan 0.000 0.565 83 Q N 8.117 127.379 119.800 -0.897 0.000 2.347 83 Q HA 0.397 4.754 4.340 0.029 0.000 0.265 83 Q C -2.464 172.903 176.000 -1.056 0.000 1.024 83 Q CA -2.138 53.208 55.803 -0.761 0.000 0.731 83 Q CB 1.477 29.980 28.738 -0.391 0.000 1.245 83 Q HN 0.130 nan 8.270 nan 0.000 0.472 84 P HA 0.140 nan 4.420 nan 0.000 0.269 84 P C -0.183 176.955 177.300 -0.270 0.000 1.215 84 P CA -0.215 62.637 63.100 -0.414 0.000 0.780 84 P CB 0.943 32.575 31.700 -0.112 0.000 0.898 85 R N 1.568 121.972 120.500 -0.160 0.000 2.093 85 R HA 0.013 4.370 4.340 0.029 0.000 0.224 85 R C 0.550 176.813 176.300 -0.061 0.000 1.101 85 R CA 1.333 57.370 56.100 -0.104 0.000 0.979 85 R CB -0.249 30.018 30.300 -0.055 0.000 0.877 85 R HN 0.633 nan 8.270 nan 0.000 0.441 86 S N -0.971 114.708 115.700 -0.034 0.000 2.715 86 S HA 0.453 4.941 4.470 0.029 0.000 0.307 86 S C -1.045 173.551 174.600 -0.006 0.000 1.119 86 S CA -1.162 57.029 58.200 -0.014 0.000 0.937 86 S CB 1.804 65.006 63.200 0.003 0.000 1.150 86 S HN 0.035 nan 8.310 nan 0.000 0.521 87 D N 1.164 121.565 120.400 0.002 0.000 2.210 87 D HA 0.544 5.202 4.640 0.029 0.000 0.249 87 D C 0.320 176.631 176.300 0.019 0.000 1.062 87 D CA -0.027 53.979 54.000 0.010 0.000 0.891 87 D CB 1.647 42.452 40.800 0.009 0.000 1.186 87 D HN 0.827 nan 8.370 nan 0.000 0.432 88 A N 3.538 126.375 122.820 0.027 0.000 2.466 88 A HA 0.197 4.534 4.320 0.029 0.000 0.238 88 A C -1.378 176.221 177.584 0.025 0.000 1.074 88 A CA -0.711 51.345 52.037 0.032 0.000 0.774 88 A CB 0.096 19.120 19.000 0.040 0.000 1.015 88 A HN 0.340 nan 8.150 nan 0.000 0.498 89 P HA -0.172 nan 4.420 nan 0.000 0.216 89 P C 1.516 178.826 177.300 0.017 0.000 1.150 89 P CA 2.039 65.150 63.100 0.018 0.000 0.843 89 P CB -0.218 31.492 31.700 0.018 0.000 0.787 90 V N -3.733 116.192 119.914 0.019 0.000 2.626 90 V HA -0.152 3.985 4.120 0.029 0.000 0.252 90 V C 2.075 178.178 176.094 0.016 0.000 1.067 90 V CA 1.610 63.920 62.300 0.016 0.000 1.081 90 V CB -1.704 30.131 31.823 0.020 0.000 0.686 90 V HN -0.047 nan 8.190 nan 0.000 0.468 91 V N -0.310 119.616 119.914 0.020 0.000 2.379 91 V HA -0.153 3.984 4.120 0.029 0.000 0.245 91 V C 2.725 178.828 176.094 0.016 0.000 1.044 91 V CA 2.120 64.432 62.300 0.020 0.000 1.036 91 V CB -0.546 31.291 31.823 0.023 0.000 0.664 91 V HN 0.384 nan 8.190 nan 0.000 0.453 92 M N -0.996 118.612 119.600 0.014 0.000 2.213 92 M HA -0.138 4.360 4.480 0.029 0.000 0.263 92 M C 2.163 178.469 176.300 0.010 0.000 1.062 92 M CA 1.768 57.075 55.300 0.012 0.000 1.105 92 M CB -0.985 31.622 32.600 0.012 0.000 1.385 92 M HN 0.333 nan 8.290 nan 0.000 0.417 93 M N -0.515 119.091 119.600 0.009 0.000 2.159 93 M HA -0.207 4.290 4.480 0.029 0.000 0.263 93 M C 2.095 178.397 176.300 0.003 0.000 1.063 93 M CA 1.394 56.697 55.300 0.005 0.000 1.110 93 M CB -0.446 32.154 32.600 0.000 0.000 1.374 93 M HN 0.213 nan 8.290 nan 0.000 0.411 94 L N -0.245 120.980 121.223 0.004 0.000 2.023 94 L HA -0.177 4.180 4.340 0.029 0.000 0.205 94 L C 2.482 179.357 176.870 0.007 0.000 1.073 94 L CA 1.242 56.084 54.840 0.004 0.000 0.745 94 L CB -0.641 41.423 42.059 0.008 0.000 0.900 94 L HN 0.227 nan 8.230 nan 0.000 0.435 95 K N 0.157 120.563 120.400 0.011 0.000 2.057 95 K HA -0.161 4.176 4.320 0.029 0.000 0.207 95 K C 2.188 178.794 176.600 0.010 0.000 1.049 95 K CA 1.238 57.532 56.287 0.012 0.000 0.931 95 K CB -0.215 32.292 32.500 0.012 0.000 0.714 95 K HN 0.277 nan 8.250 nan 0.000 0.440 96 R N 0.339 120.845 120.500 0.009 0.000 2.193 96 R HA -0.052 4.305 4.340 0.029 0.000 0.229 96 R C 1.974 178.279 176.300 0.009 0.000 1.110 96 R CA 1.004 57.109 56.100 0.009 0.000 0.988 96 R CB -0.125 30.181 30.300 0.009 0.000 0.871 96 R HN 0.164 nan 8.270 nan 0.000 0.458 97 A N -0.332 122.493 122.820 0.008 0.000 2.275 97 A HA 0.264 4.601 4.320 0.029 0.000 0.212 97 A C 1.340 178.929 177.584 0.008 0.000 1.201 97 A CA 0.736 52.778 52.037 0.008 0.000 0.843 97 A CB 0.290 19.292 19.000 0.004 0.000 0.873 97 A HN 0.410 nan 8.150 nan 0.000 0.492 98 G N -2.027 106.778 108.800 0.009 0.000 2.179 98 G HA2 0.148 4.125 3.960 0.029 0.000 0.220 98 G HA3 0.148 4.125 3.960 0.029 0.000 0.220 98 G C 0.481 175.387 174.900 0.010 0.000 0.990 98 G CA 0.161 45.267 45.100 0.010 0.000 0.646 98 G HN 1.458 nan 8.290 nan 0.000 0.517 99 A N -0.149 122.677 122.820 0.009 0.000 2.386 99 A HA 0.661 4.999 4.320 0.029 0.000 0.246 99 A C 0.634 178.226 177.584 0.015 0.000 1.089 99 A CA 1.256 53.299 52.037 0.010 0.000 0.790 99 A CB 0.380 19.385 19.000 0.008 0.000 1.042 99 A HN 0.804 nan 8.150 nan 0.000 0.497 100 T N 2.720 117.282 114.554 0.014 0.000 2.788 100 T HA 0.356 4.723 4.350 0.029 0.000 0.296 100 T C -0.038 174.677 174.700 0.025 0.000 1.009 100 T CA -0.216 61.896 62.100 0.021 0.000 0.949 100 T CB 0.205 69.084 68.868 0.018 0.000 0.946 100 T HN 0.377 nan 8.240 nan 0.000 0.453 101 I N 4.733 125.325 120.570 0.037 0.000 2.460 101 I HA 0.131 4.318 4.170 0.029 0.000 0.297 101 I C 1.379 177.536 176.117 0.067 0.000 1.139 101 I CA -0.032 61.298 61.300 0.051 0.000 1.340 101 I CB -0.453 37.577 38.000 0.049 0.000 1.444 101 I HN 0.735 nan 8.210 nan 0.000 0.557 102 I N 4.468 125.075 120.570 0.062 0.000 2.761 102 I HA 0.111 4.299 4.170 0.029 0.000 0.261 102 I C 0.990 177.182 176.117 0.125 0.000 1.198 102 I CA 0.520 61.849 61.300 0.050 0.000 1.482 102 I CB 0.401 38.338 38.000 -0.105 0.000 1.100 102 I HN 0.702 nan 8.210 nan 0.000 0.445 103 G N 0.044 108.973 108.800 0.215 0.000 2.328 103 G HA2 0.198 4.176 3.960 0.029 0.000 0.295 103 G HA3 0.198 4.176 3.960 0.029 0.000 0.295 103 G C -1.787 173.314 174.900 0.336 0.000 1.413 103 G CA -0.827 44.462 45.100 0.316 0.000 0.817 103 G HN -0.204 nan 8.290 nan 0.000 0.546 104 K N 1.666 122.241 120.400 0.291 0.000 2.240 104 K HA 0.545 4.882 4.320 0.029 0.000 0.271 104 K C 0.489 177.103 176.600 0.023 0.000 1.018 104 K CA -0.449 55.912 56.287 0.124 0.000 0.874 104 K CB 1.241 33.794 32.500 0.088 0.000 1.098 104 K HN 0.849 nan 8.250 nan 0.000 0.458 105 T N -1.137 113.296 114.554 -0.202 0.000 2.913 105 T HA 0.205 4.572 4.350 0.029 0.000 0.287 105 T C 0.629 175.200 174.700 -0.216 0.000 1.008 105 T CA -0.742 61.102 62.100 -0.426 0.000 1.067 105 T CB 0.502 69.037 68.868 -0.556 0.000 0.996 105 T HN 0.559 nan 8.240 nan 0.000 0.513 106 T N -0.002 114.434 114.554 -0.197 0.000 2.937 106 T HA 0.387 4.754 4.350 0.029 0.000 0.316 106 T C 0.211 174.845 174.700 -0.110 0.000 1.079 106 T CA -0.532 61.501 62.100 -0.113 0.000 1.131 106 T CB 0.598 69.419 68.868 -0.078 0.000 1.000 106 T HN 0.960 nan 8.240 nan 0.000 0.549 107 T N 1.198 115.700 114.554 -0.085 0.000 2.916 107 T HA 0.583 4.951 4.350 0.029 0.000 0.305 107 T C 0.110 174.762 174.700 -0.081 0.000 1.119 107 T CA -0.403 61.651 62.100 -0.077 0.000 1.008 107 T CB 1.433 70.254 68.868 -0.078 0.000 1.129 107 T HN 1.129 nan 8.240 nan 0.000 0.480 108 T N 1.685 116.202 114.554 -0.060 0.000 2.860 108 T HA 0.583 4.950 4.350 0.029 0.000 0.299 108 T C 0.781 175.404 174.700 -0.129 0.000 1.045 108 T CA -0.337 61.725 62.100 -0.063 0.000 1.071 108 T CB 0.266 69.122 68.868 -0.020 0.000 0.985 108 T HN 1.012 nan 8.240 nan 0.000 0.537 109 A N 1.827 124.553 122.820 -0.156 0.000 2.561 109 A HA 0.375 4.713 4.320 0.029 0.000 0.251 109 A C 0.555 177.978 177.584 -0.268 0.000 1.062 109 A CA -0.403 51.442 52.037 -0.321 0.000 0.761 109 A CB -1.498 17.387 19.000 -0.191 0.000 0.986 109 A HN 1.091 nan 8.150 nan 0.000 0.510 110 F N 0.399 120.267 119.950 -0.136 0.000 3.097 110 F HA -0.266 4.278 4.527 0.029 0.000 0.278 110 F C 1.405 177.038 175.800 -0.279 0.000 0.917 110 F CA 1.321 59.195 58.000 -0.210 0.000 0.962 110 F CB -2.065 36.787 39.000 -0.246 0.000 0.964 110 F HN 1.800 nan 8.300 nan 0.000 0.668 111 A N -1.096 121.671 122.820 -0.087 0.000 2.822 111 A HA -0.157 4.180 4.320 0.029 0.000 0.287 111 A C 1.018 178.589 177.584 -0.021 0.000 1.479 111 A CA 1.264 53.288 52.037 -0.021 0.000 0.779 111 A CB -1.635 17.411 19.000 0.076 0.000 1.022 111 A HN 0.848 nan 8.150 nan 0.000 0.532 112 S N -1.662 113.988 115.700 -0.085 0.000 2.589 112 S HA 0.601 5.089 4.470 0.029 0.000 0.272 112 S C 1.536 176.173 174.600 0.061 0.000 1.096 112 S CA -0.017 58.177 58.200 -0.010 0.000 0.985 112 S CB 0.515 63.638 63.200 -0.128 0.000 1.278 112 S HN 0.527 nan 8.310 nan 0.000 0.528 113 R N 0.702 121.245 120.500 0.073 0.000 2.193 113 R HA 0.111 4.468 4.340 0.029 0.000 0.213 113 R C -0.342 175.988 176.300 0.049 0.000 1.055 113 R CA 0.465 56.607 56.100 0.070 0.000 0.995 113 R CB -0.389 29.955 30.300 0.074 0.000 0.893 113 R HN 0.557 nan 8.270 nan 0.000 0.459 114 D N 3.295 123.713 120.400 0.031 0.000 2.389 114 D HA 0.058 4.715 4.640 0.029 0.000 0.263 114 D C -2.249 174.060 176.300 0.016 0.000 1.255 114 D CA -0.784 53.228 54.000 0.021 0.000 0.914 114 D CB 0.841 41.647 40.800 0.010 0.000 1.116 114 D HN -0.037 nan 8.370 nan 0.000 0.502 115 P HA -0.070 nan 4.420 nan 0.000 0.265 115 P C 0.385 177.691 177.300 0.011 0.000 1.187 115 P CA 0.159 63.275 63.100 0.026 0.000 0.766 115 P CB 0.563 32.282 31.700 0.031 0.000 0.820 116 T N -0.700 113.860 114.554 0.011 0.000 2.852 116 T HA 0.530 4.897 4.350 0.029 0.000 0.281 116 T C 1.076 175.785 174.700 0.015 0.000 0.993 116 T CA -0.175 61.925 62.100 0.000 0.000 0.933 116 T CB 0.721 69.583 68.868 -0.009 0.000 1.187 116 T HN 0.240 nan 8.240 nan 0.000 0.559 117 A N -0.065 122.764 122.820 0.016 0.000 2.275 117 A HA 0.332 4.669 4.320 0.029 0.000 0.212 117 A C 1.210 178.856 177.584 0.103 0.000 1.201 117 A CA -0.234 51.825 52.037 0.037 0.000 0.843 117 A CB -0.889 18.103 19.000 -0.013 0.000 0.873 117 A HN 0.825 nan 8.150 nan 0.000 0.492 118 T N 1.154 115.755 114.554 0.079 0.000 2.932 118 T HA 0.412 4.779 4.350 0.029 0.000 0.312 118 T C -0.073 174.667 174.700 0.067 0.000 1.071 118 T CA 0.576 62.728 62.100 0.086 0.000 1.128 118 T CB 0.452 69.333 68.868 0.022 0.000 0.984 118 T HN 0.247 nan 8.240 nan 0.000 0.549 119 L N 2.559 123.807 121.223 0.042 0.000 2.333 119 L HA 0.462 4.820 4.340 0.029 0.000 0.269 119 L C 0.661 177.540 176.870 0.015 0.000 1.010 119 L CA -1.216 53.639 54.840 0.025 0.000 0.818 119 L CB 1.186 43.243 42.059 -0.002 0.000 1.306 119 L HN 0.523 nan 8.230 nan 0.000 0.430 120 N N 2.189 120.917 118.700 0.046 0.000 2.468 120 N HA 0.069 4.826 4.740 0.029 0.000 0.265 120 N C -1.935 173.583 175.510 0.014 0.000 1.199 120 N CA -1.184 51.903 53.050 0.062 0.000 0.928 120 N CB 1.682 40.236 38.487 0.111 0.000 1.059 120 N HN 0.304 nan 8.380 nan 0.000 0.467 121 P HA -0.124 nan 4.420 nan 0.000 0.216 121 P C 0.700 177.862 177.300 -0.229 0.000 1.150 121 P CA 1.375 64.369 63.100 -0.177 0.000 0.837 121 P CB 0.105 31.636 31.700 -0.282 0.000 0.786 122 H N -2.772 116.294 119.070 -0.006 0.000 2.529 122 H HA 0.142 4.715 4.556 0.029 0.000 0.277 122 H C 0.497 175.817 175.328 -0.014 0.000 0.999 122 H CA 0.861 56.899 56.048 -0.016 0.000 1.256 122 H CB 0.083 29.828 29.762 -0.029 0.000 1.402 122 H HN 0.144 nan 8.280 nan 0.000 0.566 123 N N -0.021 118.738 118.700 0.098 0.000 3.049 123 N HA -0.040 4.717 4.740 0.029 0.000 0.241 123 N C 0.121 175.703 175.510 0.120 0.000 1.323 123 N CA 0.015 53.130 53.050 0.109 0.000 0.824 123 N CB 0.725 39.292 38.487 0.132 0.000 1.557 123 N HN -0.179 nan 8.380 nan 0.000 0.612 124 T N 0.501 115.088 114.554 0.056 0.000 2.946 124 T HA -0.092 4.276 4.350 0.029 0.000 0.270 124 T C 1.457 176.176 174.700 0.031 0.000 1.129 124 T CA 1.745 63.861 62.100 0.026 0.000 1.103 124 T CB -0.021 68.842 68.868 -0.008 0.000 0.839 124 T HN 0.583 nan 8.240 nan 0.000 0.544 125 G N -0.436 108.396 108.800 0.053 0.000 3.042 125 G HA2 0.080 4.057 3.960 0.029 0.000 0.212 125 G HA3 0.080 4.057 3.960 0.029 0.000 0.212 125 G C 0.289 175.061 174.900 -0.213 0.000 1.166 125 G CA -0.214 44.854 45.100 -0.054 0.000 0.767 125 G HN 0.460 nan 8.290 nan 0.000 0.546 126 H N -0.523 118.537 119.070 -0.017 0.000 2.771 126 H HA 0.427 5.001 4.556 0.029 0.000 0.367 126 H C -0.607 174.705 175.328 -0.027 0.000 1.172 126 H CA -0.565 55.461 56.048 -0.037 0.000 1.186 126 H CB 2.033 31.759 29.762 -0.060 0.000 1.790 126 H HN 0.084 nan 8.280 nan 0.000 0.556 127 S N 1.696 117.440 115.700 0.072 0.000 2.584 127 S HA 0.101 4.589 4.470 0.029 0.000 0.273 127 S C -1.590 173.067 174.600 0.095 0.000 1.311 127 S CA -1.286 56.953 58.200 0.064 0.000 1.034 127 S CB 0.678 63.915 63.200 0.062 0.000 0.939 127 S HN 0.519 nan 8.310 nan 0.000 0.513 128 P HA 0.260 nan 4.420 nan 0.000 0.255 128 P C 0.734 178.203 177.300 0.282 0.000 1.248 128 P CA 0.570 63.768 63.100 0.163 0.000 0.807 128 P CB -0.383 31.362 31.700 0.076 0.000 1.150 129 G N -0.883 108.120 108.800 0.339 0.000 2.610 129 G HA2 0.246 4.224 3.960 0.029 0.000 0.304 129 G HA3 0.246 4.224 3.960 0.029 0.000 0.304 129 G C -0.506 174.492 174.900 0.163 0.000 1.309 129 G CA -0.654 44.671 45.100 0.375 0.000 0.906 129 G HN 0.549 nan 8.290 nan 0.000 0.521 130 G N -2.356 106.512 108.800 0.113 0.000 2.649 130 G HA2 0.758 4.735 3.960 0.029 0.000 0.290 130 G HA3 0.758 4.735 3.960 0.029 0.000 0.290 130 G C 0.743 175.694 174.900 0.084 0.000 1.426 130 G CA 0.847 45.995 45.100 0.080 0.000 0.794 130 G HN 2.042 nan 8.290 nan 0.000 0.483 131 S N -1.257 114.499 115.700 0.093 0.000 2.528 131 S HA 0.077 4.564 4.470 0.029 0.000 0.219 131 S C 1.226 175.843 174.600 0.028 0.000 0.985 131 S CA 0.742 58.979 58.200 0.062 0.000 0.914 131 S CB 0.236 63.479 63.200 0.073 0.000 0.776 131 S HN 0.400 nan 8.310 nan 0.000 0.526 132 S N 2.289 118.016 115.700 0.045 0.000 3.456 132 S HA 0.549 5.036 4.470 0.029 0.000 0.229 132 S C 1.557 176.062 174.600 -0.158 0.000 1.416 132 S CA 0.155 58.333 58.200 -0.038 0.000 1.197 132 S CB -0.266 62.974 63.200 0.066 0.000 1.201 132 S HN 0.664 nan 8.310 nan 0.000 0.479 133 A N 2.231 124.993 122.820 -0.096 0.000 1.873 133 A HA -0.069 4.269 4.320 0.029 0.000 0.218 133 A C 2.300 179.775 177.584 -0.181 0.000 1.193 133 A CA 1.908 53.888 52.037 -0.094 0.000 0.629 133 A CB -1.353 17.625 19.000 -0.037 0.000 0.826 133 A HN 0.615 nan 8.150 nan 0.000 0.447 134 G N -1.216 107.453 108.800 -0.218 0.000 2.408 134 G HA2 -0.090 3.887 3.960 0.029 0.000 0.217 134 G HA3 -0.090 3.887 3.960 0.029 0.000 0.217 134 G C 1.793 176.435 174.900 -0.431 0.000 1.150 134 G CA 1.298 46.214 45.100 -0.307 0.000 0.776 134 G HN 0.500 nan 8.290 nan 0.000 0.542 135 S N 0.956 116.358 115.700 -0.497 0.000 2.383 135 S HA 0.031 4.518 4.470 0.029 0.000 0.227 135 S C 2.747 176.899 174.600 -0.746 0.000 1.026 135 S CA 1.142 58.968 58.200 -0.623 0.000 0.981 135 S CB -0.268 62.503 63.200 -0.715 0.000 0.818 135 S HN 0.575 nan 8.310 nan 0.000 0.472 136 A N 1.643 123.966 122.820 -0.828 0.000 1.854 136 A HA 0.255 4.592 4.320 0.029 0.000 0.214 136 A C 2.376 179.836 177.584 -0.206 0.000 1.192 136 A CA 1.494 53.225 52.037 -0.510 0.000 0.611 136 A CB -1.189 17.641 19.000 -0.284 0.000 0.832 136 A HN 0.489 nan 8.150 nan 0.000 0.442 137 A N 0.012 122.723 122.820 -0.183 0.000 1.877 137 A HA 0.125 4.462 4.320 0.029 0.000 0.216 137 A C 2.518 180.033 177.584 -0.115 0.000 1.186 137 A CA 2.291 54.264 52.037 -0.108 0.000 0.620 137 A CB -1.106 17.839 19.000 -0.091 0.000 0.822 137 A HN 1.084 nan 8.150 nan 0.000 0.443 138 A N -0.755 121.962 122.820 -0.172 0.000 1.933 138 A HA 0.004 4.341 4.320 0.029 0.000 0.218 138 A C 2.231 179.779 177.584 -0.060 0.000 1.175 138 A CA 1.838 53.811 52.037 -0.106 0.000 0.628 138 A CB -0.845 18.018 19.000 -0.229 0.000 0.814 138 A HN 0.398 nan 8.150 nan 0.000 0.444 139 V N -0.305 119.557 119.914 -0.087 0.000 2.379 139 V HA -0.118 4.020 4.120 0.029 0.000 0.245 139 V C 2.769 178.857 176.094 -0.010 0.000 1.044 139 V CA 1.801 64.085 62.300 -0.027 0.000 1.036 139 V CB -1.241 30.588 31.823 0.010 0.000 0.664 139 V HN 0.607 nan 8.190 nan 0.000 0.453 140 G N -0.410 108.380 108.800 -0.017 0.000 2.443 140 G HA2 -0.112 3.866 3.960 0.029 0.000 0.219 140 G HA3 -0.112 3.866 3.960 0.029 0.000 0.219 140 G C 1.439 176.283 174.900 -0.093 0.000 1.131 140 G CA 0.807 45.904 45.100 -0.006 0.000 0.775 140 G HN 0.613 nan 8.290 nan 0.000 0.547 141 A N -0.159 122.607 122.820 -0.090 0.000 2.278 141 A HA 0.483 4.820 4.320 0.029 0.000 0.212 141 A C 1.945 179.494 177.584 -0.059 0.000 1.213 141 A CA 1.122 53.099 52.037 -0.099 0.000 0.840 141 A CB -0.513 18.441 19.000 -0.077 0.000 0.866 141 A HN 1.501 nan 8.150 nan 0.000 0.489 142 G N -0.883 107.894 108.800 -0.038 0.000 2.179 142 G HA2 -0.337 3.640 3.960 0.029 0.000 0.257 142 G HA3 -0.337 3.640 3.960 0.029 0.000 0.257 142 G C 0.772 175.662 174.900 -0.017 0.000 1.010 142 G CA 0.760 45.846 45.100 -0.023 0.000 0.736 142 G HN 0.415 nan 8.290 nan 0.000 0.513 143 M N -0.656 118.941 119.600 -0.005 0.000 2.288 143 M HA 0.264 4.761 4.480 0.029 0.000 0.266 143 M C 1.387 177.686 176.300 -0.001 0.000 1.072 143 M CA 1.567 56.871 55.300 0.007 0.000 1.132 143 M CB 0.029 32.679 32.600 0.083 0.000 1.386 143 M HN 0.609 nan 8.290 nan 0.000 0.432 144 I N -4.584 115.994 120.570 0.014 0.000 2.918 144 I HA 0.351 4.539 4.170 0.029 0.000 0.301 144 I C -2.482 173.636 176.117 0.003 0.000 1.312 144 I CA -1.953 59.351 61.300 0.007 0.000 1.007 144 I CB 1.798 39.827 38.000 0.049 0.000 1.281 144 I HN -0.249 nan 8.210 nan 0.000 0.440 145 P HA 0.156 nan 4.420 nan 0.000 0.240 145 P C -0.228 177.076 177.300 0.005 0.000 1.190 145 P CA 0.537 63.634 63.100 -0.004 0.000 0.781 145 P CB 0.784 32.476 31.700 -0.012 0.000 0.931 146 L N -0.878 120.355 121.223 0.016 0.000 2.582 146 L HA 0.754 5.112 4.340 0.029 0.000 0.257 146 L C -2.068 174.829 176.870 0.045 0.000 0.974 146 L CA -0.956 53.903 54.840 0.033 0.000 0.851 146 L CB 2.078 44.145 42.059 0.014 0.000 1.424 146 L HN -0.087 nan 8.230 nan 0.000 0.412 147 A N 3.694 126.567 122.820 0.090 0.000 2.589 147 A HA 0.768 5.105 4.320 0.029 0.000 0.296 147 A C -2.047 175.654 177.584 0.195 0.000 1.062 147 A CA -0.517 51.566 52.037 0.078 0.000 0.686 147 A CB 1.331 20.308 19.000 -0.038 0.000 1.282 147 A HN 0.662 nan 8.150 nan 0.000 0.404 148 L N 1.558 122.858 121.223 0.128 0.000 2.322 148 L HA 0.783 5.141 4.340 0.029 0.000 0.279 148 L C 0.802 177.799 176.870 0.212 0.000 1.036 148 L CA -0.328 54.612 54.840 0.167 0.000 0.807 148 L CB 1.934 44.043 42.059 0.084 0.000 1.226 148 L HN 0.972 nan 8.230 nan 0.000 0.433 149 G N 0.429 109.426 108.800 0.329 0.000 2.921 149 G HA2 0.739 4.716 3.960 0.029 0.000 0.291 149 G HA3 0.739 4.716 3.960 0.029 0.000 0.291 149 G C -1.155 173.880 174.900 0.225 0.000 1.370 149 G CA -0.232 45.078 45.100 0.350 0.000 0.847 149 G HN 0.546 nan 8.290 nan 0.000 0.532 150 T N -2.859 111.819 114.554 0.207 0.000 2.883 150 T HA 0.710 5.078 4.350 0.029 0.000 0.301 150 T C -1.108 173.695 174.700 0.173 0.000 1.158 150 T CA -0.653 61.546 62.100 0.164 0.000 1.007 150 T CB 2.247 71.205 68.868 0.151 0.000 1.186 150 T HN 0.737 nan 8.240 nan 0.000 0.499 151 Q N 0.438 120.336 119.800 0.163 0.000 2.285 151 Q HA 0.546 4.903 4.340 0.029 0.000 0.269 151 Q C -0.531 175.570 176.000 0.168 0.000 1.030 151 Q CA -0.654 55.246 55.803 0.161 0.000 0.788 151 Q CB 2.041 30.860 28.738 0.136 0.000 1.266 151 Q HN 0.860 nan 8.270 nan 0.000 0.438 152 T N 1.471 116.121 114.554 0.160 0.000 3.056 152 T HA 0.234 4.601 4.350 0.029 0.000 0.243 152 T C 0.749 175.531 174.700 0.138 0.000 0.995 152 T CA 0.785 62.947 62.100 0.104 0.000 1.091 152 T CB 0.439 69.329 68.868 0.036 0.000 0.990 152 T HN 0.670 nan 8.240 nan 0.000 0.464 153 G N 0.501 109.374 108.800 0.122 0.000 2.710 153 G HA2 0.475 4.452 3.960 0.029 0.000 0.215 153 G HA3 0.475 4.452 3.960 0.029 0.000 0.215 153 G C 0.865 175.787 174.900 0.035 0.000 1.345 153 G CA 0.491 45.617 45.100 0.043 0.000 0.812 153 G HN 0.516 nan 8.290 nan 0.000 0.606 154 G N 0.028 108.869 108.800 0.067 0.000 5.021 154 G HA2 0.344 4.322 3.960 0.029 0.000 0.254 154 G HA3 0.344 4.322 3.960 0.029 0.000 0.254 154 G C 0.651 175.603 174.900 0.087 0.000 0.932 154 G CA 0.647 45.795 45.100 0.080 0.000 0.743 154 G HN 0.240 nan 8.290 nan 0.000 0.441 155 S N -0.159 115.613 115.700 0.119 0.000 2.595 155 S HA 0.017 4.504 4.470 0.029 0.000 0.235 155 S C 1.932 176.656 174.600 0.207 0.000 0.974 155 S CA 0.711 58.998 58.200 0.144 0.000 0.942 155 S CB 0.300 63.596 63.200 0.161 0.000 0.766 155 S HN 0.277 nan 8.310 nan 0.000 0.536 156 V N 0.368 120.386 119.914 0.174 0.000 2.950 156 V HA 0.109 4.247 4.120 0.029 0.000 0.231 156 V C 1.889 178.028 176.094 0.074 0.000 1.205 156 V CA 0.198 62.601 62.300 0.172 0.000 1.239 156 V CB -0.192 31.593 31.823 -0.063 0.000 1.050 156 V HN 0.310 nan 8.190 nan 0.000 0.498 157 I N 0.784 121.368 120.570 0.022 0.000 2.179 157 I HA -0.197 3.991 4.170 0.029 0.000 0.242 157 I C 2.543 178.665 176.117 0.008 0.000 1.088 157 I CA 1.817 63.122 61.300 0.009 0.000 1.357 157 I CB -1.145 36.878 38.000 0.038 0.000 1.051 157 I HN 0.314 nan 8.210 nan 0.000 0.409 158 R N 1.291 121.775 120.500 -0.028 0.000 2.082 158 R HA -0.132 4.226 4.340 0.029 0.000 0.234 158 R C -0.406 175.712 176.300 -0.303 0.000 1.136 158 R CA 2.069 58.039 56.100 -0.217 0.000 0.935 158 R CB -1.181 28.963 30.300 -0.261 0.000 0.842 158 R HN 0.237 nan 8.270 nan 0.000 0.430 159 P HA -0.125 nan 4.420 nan 0.000 0.218 159 P C 0.814 178.210 177.300 0.161 0.000 1.149 159 P CA 1.880 65.006 63.100 0.043 0.000 0.817 159 P CB -0.037 31.723 31.700 0.099 0.000 0.785 160 A N 0.871 123.841 122.820 0.251 0.000 1.877 160 A HA -0.065 4.272 4.320 0.029 0.000 0.216 160 A C 2.554 180.234 177.584 0.159 0.000 1.186 160 A CA 2.290 54.494 52.037 0.279 0.000 0.620 160 A CB -1.586 17.549 19.000 0.224 0.000 0.822 160 A HN 0.228 nan 8.150 nan 0.000 0.443 161 A N -1.256 121.618 122.820 0.090 0.000 1.883 161 A HA -0.160 4.177 4.320 0.029 0.000 0.217 161 A C 2.159 179.856 177.584 0.188 0.000 1.186 161 A CA 1.525 53.615 52.037 0.088 0.000 0.624 161 A CB -1.009 18.016 19.000 0.041 0.000 0.822 161 A HN 0.683 nan 8.150 nan 0.000 0.444 162 Y N -1.150 119.190 120.300 0.068 0.000 2.207 162 Y HA -0.287 4.281 4.550 0.030 0.000 0.287 162 Y C 2.287 178.225 175.900 0.063 0.000 1.156 162 Y CA 0.784 58.915 58.100 0.052 0.000 1.182 162 Y CB -0.201 38.303 38.460 0.074 0.000 0.979 162 Y HN 0.372 nan 8.280 nan 0.000 0.521 163 C N -0.184 119.281 119.300 0.274 0.000 2.754 163 C HA 0.296 4.773 4.460 0.029 0.000 0.276 163 C C 1.697 176.857 174.990 0.283 0.000 1.264 163 C CA 0.540 59.726 59.018 0.279 0.000 1.700 163 C CB -0.817 27.037 27.740 0.190 0.000 1.885 163 C HN 0.801 nan 8.230 nan 0.000 0.607 164 G N 2.385 111.263 108.800 0.130 0.000 2.225 164 G HA2 -0.235 3.742 3.960 0.029 0.000 0.267 164 G HA3 -0.235 3.742 3.960 0.029 0.000 0.267 164 G C 0.185 175.153 174.900 0.114 0.000 1.024 164 G CA 0.892 46.031 45.100 0.065 0.000 0.784 164 G HN 0.684 nan 8.290 nan 0.000 0.507 165 T N -2.683 111.952 114.554 0.134 0.000 2.952 165 T HA 0.862 5.229 4.350 0.029 0.000 0.286 165 T C 0.468 175.220 174.700 0.086 0.000 1.024 165 T CA 0.315 62.486 62.100 0.119 0.000 1.029 165 T CB 2.242 71.210 68.868 0.167 0.000 1.094 165 T HN 1.656 nan 8.240 nan 0.000 0.515 166 A N 0.861 123.709 122.820 0.045 0.000 2.304 166 A HA 0.867 5.205 4.320 0.029 0.000 0.271 166 A C 0.333 177.902 177.584 -0.026 0.000 1.091 166 A CA -0.260 51.773 52.037 -0.006 0.000 0.812 166 A CB -0.136 18.838 19.000 -0.044 0.000 1.056 166 A HN 1.893 nan 8.150 nan 0.000 0.489 167 A N 0.307 123.065 122.820 -0.104 0.000 2.597 167 A HA 0.652 4.990 4.320 0.029 0.000 0.292 167 A C -1.183 176.263 177.584 -0.230 0.000 1.057 167 A CA -0.129 51.750 52.037 -0.264 0.000 0.674 167 A CB 0.570 19.286 19.000 -0.473 0.000 1.278 167 A HN 1.823 nan 8.150 nan 0.000 0.416 168 I N 0.287 120.689 120.570 -0.280 0.000 2.722 168 I HA 0.575 4.763 4.170 0.029 0.000 0.295 168 I C -1.072 174.945 176.117 -0.167 0.000 1.161 168 I CA -0.572 60.625 61.300 -0.172 0.000 1.032 168 I CB 1.901 39.834 38.000 -0.112 0.000 1.244 168 I HN 0.685 nan 8.210 nan 0.000 0.421 169 K N 8.648 128.999 120.400 -0.082 0.000 2.389 169 K HA 0.554 4.891 4.320 0.029 0.000 0.261 169 K C -2.703 173.907 176.600 0.017 0.000 1.014 169 K CA -1.754 54.520 56.287 -0.022 0.000 0.920 169 K CB 1.419 33.942 32.500 0.038 0.000 1.149 169 K HN 0.282 nan 8.250 nan 0.000 0.444 170 P HA 0.005 nan 4.420 nan 0.000 0.272 170 P C -0.596 176.732 177.300 0.047 0.000 1.254 170 P CA -0.292 62.822 63.100 0.022 0.000 0.795 170 P CB 0.514 32.219 31.700 0.010 0.000 1.022 171 S N -0.189 115.494 115.700 -0.028 0.000 2.563 171 S HA 0.034 4.522 4.470 0.029 0.000 0.284 171 S C 0.133 174.806 174.600 0.122 0.000 1.331 171 S CA -0.145 57.990 58.200 -0.107 0.000 1.047 171 S CB -0.514 62.325 63.200 -0.600 0.000 0.859 171 S HN 0.279 nan 8.310 nan 0.000 0.514 172 F N 3.580 123.655 119.950 0.208 0.000 2.623 172 F HA 0.041 4.584 4.527 0.027 0.000 0.383 172 F C 1.505 177.443 175.800 0.230 0.000 1.077 172 F CA 0.276 58.430 58.000 0.256 0.000 1.268 172 F CB -0.171 39.029 39.000 0.334 0.000 1.053 172 F HN 0.752 nan 8.300 nan 0.000 0.571 173 R N 2.936 123.148 120.500 -0.480 0.000 3.989 173 R HA -0.301 4.056 4.340 0.029 0.000 0.377 173 R C 1.388 177.612 176.300 -0.127 0.000 1.158 173 R CA 1.162 57.011 56.100 -0.420 0.000 1.035 173 R CB -2.027 27.969 30.300 -0.507 0.000 1.557 173 R HN 0.820 nan 8.270 nan 0.000 0.551 174 M N 0.514 120.084 119.600 -0.050 0.000 2.123 174 M HA 0.003 4.501 4.480 0.029 0.000 0.263 174 M C 0.402 176.697 176.300 -0.008 0.000 1.069 174 M CA 1.588 56.881 55.300 -0.012 0.000 1.133 174 M CB 0.359 32.963 32.600 0.007 0.000 1.356 174 M HN 0.152 nan 8.290 nan 0.000 0.415 175 L N 2.579 123.793 121.223 -0.015 0.000 2.275 175 L HA 0.368 4.725 4.340 0.029 0.000 0.288 175 L C -2.000 174.860 176.870 -0.018 0.000 1.046 175 L CA -2.180 52.654 54.840 -0.010 0.000 0.805 175 L CB 0.840 42.895 42.059 -0.006 0.000 1.193 175 L HN 0.113 nan 8.230 nan 0.000 0.426 176 P HA 0.027 nan 4.420 nan 0.000 0.269 176 P C 0.236 177.543 177.300 0.012 0.000 1.209 176 P CA -0.177 62.918 63.100 -0.008 0.000 0.776 176 P CB 0.845 32.546 31.700 0.002 0.000 0.876 177 T N -2.094 112.472 114.554 0.020 0.000 3.145 177 T HA 0.152 4.520 4.350 0.029 0.000 0.255 177 T C 0.667 175.402 174.700 0.060 0.000 1.039 177 T CA -0.348 61.785 62.100 0.055 0.000 0.928 177 T CB -0.467 68.454 68.868 0.087 0.000 1.029 177 T HN 0.095 nan 8.240 nan 0.000 0.554 178 V N 2.153 122.092 119.914 0.042 0.000 2.599 178 V HA 0.437 4.574 4.120 0.029 0.000 0.300 178 V C 1.660 177.783 176.094 0.050 0.000 1.034 178 V CA 1.088 63.413 62.300 0.042 0.000 1.115 178 V CB -0.128 31.712 31.823 0.029 0.000 0.934 178 V HN 0.852 nan 8.190 nan 0.000 0.485 179 G N 3.707 112.542 108.800 0.059 0.000 2.160 179 G HA2 -0.183 3.794 3.960 0.029 0.000 0.251 179 G HA3 -0.183 3.794 3.960 0.029 0.000 0.251 179 G C -0.154 174.789 174.900 0.073 0.000 1.008 179 G CA 0.086 45.227 45.100 0.068 0.000 0.724 179 G HN 0.874 nan 8.290 nan 0.000 0.514 180 V N 0.225 120.185 119.914 0.077 0.000 2.443 180 V HA 0.483 4.621 4.120 0.029 0.000 0.293 180 V C 0.564 176.715 176.094 0.095 0.000 1.021 180 V CA -1.347 61.002 62.300 0.083 0.000 0.848 180 V CB 1.709 33.586 31.823 0.090 0.000 0.998 180 V HN 0.371 nan 8.190 nan 0.000 0.424 181 K N 3.472 123.918 120.400 0.078 0.000 2.473 181 K HA -0.029 4.308 4.320 0.029 0.000 0.277 181 K C -0.209 176.473 176.600 0.136 0.000 1.052 181 K CA 0.460 56.796 56.287 0.081 0.000 1.114 181 K CB -0.198 32.328 32.500 0.043 0.000 0.869 181 K HN 0.815 nan 8.250 nan 0.000 0.481 182 C N 6.168 125.564 119.300 0.160 0.000 2.527 182 C HA 0.305 4.782 4.460 0.029 0.000 0.396 182 C C 1.078 176.227 174.990 0.265 0.000 1.289 182 C CA -0.545 58.611 59.018 0.230 0.000 2.047 182 C CB -0.670 27.232 27.740 0.269 0.000 2.568 182 C HN 0.971 nan 8.230 nan 0.000 0.573 183 Y N 2.708 123.076 120.300 0.114 0.000 2.569 183 Y HA 0.260 4.828 4.550 0.030 0.000 0.278 183 Y C 1.164 177.063 175.900 -0.001 0.000 1.130 183 Y CA 0.372 58.504 58.100 0.053 0.000 1.280 183 Y CB 0.184 38.678 38.460 0.057 0.000 1.379 183 Y HN 0.628 nan 8.280 nan 0.000 0.508 184 S N 0.234 115.986 115.700 0.087 0.000 2.750 184 S HA 0.128 4.615 4.470 0.029 0.000 0.276 184 S C -0.326 174.257 174.600 -0.027 0.000 1.165 184 S CA -0.781 57.305 58.200 -0.190 0.000 1.047 184 S CB -0.157 62.797 63.200 -0.410 0.000 1.056 184 S HN 0.501 nan 8.310 nan 0.000 0.481 185 W N 4.272 125.645 121.300 0.122 0.000 2.468 185 W HA 0.168 4.845 4.660 0.029 0.000 0.262 185 W C 1.379 178.059 176.519 0.268 0.000 1.241 185 W CA 0.888 58.340 57.345 0.179 0.000 1.232 185 W CB -0.625 28.924 29.460 0.148 0.000 1.124 185 W HN 0.677 nan 8.180 nan 0.000 0.597 186 A N 0.296 123.056 122.820 -0.100 0.000 2.169 186 A HA 0.199 4.537 4.320 0.029 0.000 0.212 186 A C 1.892 179.336 177.584 -0.233 0.000 1.153 186 A CA 1.111 53.122 52.037 -0.044 0.000 0.756 186 A CB -0.337 18.513 19.000 -0.250 0.000 0.813 186 A HN 0.468 nan 8.150 nan 0.000 0.471 187 L N -1.607 119.555 121.223 -0.102 0.000 2.663 187 L HA 0.164 4.522 4.340 0.029 0.000 0.218 187 L C -0.395 176.594 176.870 0.198 0.000 1.043 187 L CA -0.389 54.382 54.840 -0.114 0.000 0.876 187 L CB -0.323 41.622 42.059 -0.190 0.000 1.263 187 L HN 0.002 nan 8.230 nan 0.000 0.486 188 D N 2.428 122.973 120.400 0.241 0.000 2.772 188 D HA 0.054 4.711 4.640 0.029 0.000 0.227 188 D C -0.148 176.364 176.300 0.353 0.000 1.114 188 D CA 1.056 55.221 54.000 0.274 0.000 0.832 188 D CB 0.527 41.481 40.800 0.257 0.000 1.154 188 D HN 0.071 nan 8.370 nan 0.000 0.514 189 T N 1.270 115.987 114.554 0.272 0.000 2.971 189 T HA 0.328 4.696 4.350 0.029 0.000 0.304 189 T C 0.055 174.847 174.700 0.153 0.000 1.038 189 T CA -0.748 61.497 62.100 0.241 0.000 1.007 189 T CB 1.682 70.732 68.868 0.303 0.000 1.055 189 T HN -0.007 nan 8.240 nan 0.000 0.451 190 V N 2.198 122.175 119.914 0.105 0.000 2.775 190 V HA 0.733 4.871 4.120 0.029 0.000 0.299 190 V C 0.923 177.041 176.094 0.041 0.000 1.062 190 V CA -0.086 62.260 62.300 0.076 0.000 1.063 190 V CB 1.276 33.129 31.823 0.050 0.000 0.994 190 V HN 1.099 nan 8.190 nan 0.000 0.483 191 G N 2.879 111.693 108.800 0.024 0.000 2.642 191 G HA2 0.706 4.684 3.960 0.029 0.000 0.293 191 G HA3 0.706 4.684 3.960 0.029 0.000 0.293 191 G C -1.923 172.911 174.900 -0.109 0.000 1.341 191 G CA -0.695 44.356 45.100 -0.082 0.000 0.916 191 G HN 0.434 nan 8.290 nan 0.000 0.474 192 L N -0.247 120.832 121.223 -0.239 0.000 2.362 192 L HA 0.708 5.066 4.340 0.029 0.000 0.271 192 L C -1.048 175.613 176.870 -0.348 0.000 1.002 192 L CA -0.572 54.173 54.840 -0.158 0.000 0.818 192 L CB 1.829 43.819 42.059 -0.115 0.000 1.298 192 L HN 0.408 nan 8.230 nan 0.000 0.420 193 F N 0.548 120.476 119.950 -0.037 0.000 2.495 193 F HA 0.839 5.385 4.527 0.032 0.000 0.327 193 F C 0.710 176.485 175.800 -0.042 0.000 1.103 193 F CA -0.536 57.444 58.000 -0.034 0.000 0.949 193 F CB 2.141 41.123 39.000 -0.030 0.000 1.142 193 F HN 0.497 nan 8.300 nan 0.000 0.457 194 G N 0.262 109.125 108.800 0.105 0.000 2.782 194 G HA2 0.565 4.542 3.960 0.029 0.000 0.304 194 G HA3 0.565 4.542 3.960 0.029 0.000 0.304 194 G C -0.147 174.766 174.900 0.022 0.000 1.315 194 G CA -0.161 44.961 45.100 0.036 0.000 0.791 194 G HN 0.743 nan 8.290 nan 0.000 0.519 195 A N -0.883 121.927 122.820 -0.017 0.000 1.887 195 A HA 0.480 4.818 4.320 0.029 0.000 0.212 195 A C 1.336 178.886 177.584 -0.056 0.000 1.198 195 A CA 0.870 52.893 52.037 -0.023 0.000 0.628 195 A CB -0.005 18.976 19.000 -0.033 0.000 0.847 195 A HN 0.518 nan 8.150 nan 0.000 0.449 196 R N -3.302 117.132 120.500 -0.111 0.000 2.888 196 R HA 0.586 4.944 4.340 0.029 0.000 0.264 196 R C 1.006 177.175 176.300 -0.218 0.000 1.045 196 R CA -0.111 55.885 56.100 -0.173 0.000 0.962 196 R CB 1.298 31.447 30.300 -0.252 0.000 1.210 196 R HN 0.158 nan 8.270 nan 0.000 0.479 197 A N 0.880 123.554 122.820 -0.245 0.000 1.903 197 A HA -0.277 4.060 4.320 0.029 0.000 0.219 197 A C 1.922 179.333 177.584 -0.290 0.000 1.191 197 A CA 2.289 54.208 52.037 -0.198 0.000 0.638 197 A CB -0.641 18.301 19.000 -0.096 0.000 0.823 197 A HN 0.911 nan 8.150 nan 0.000 0.451 198 E N -0.225 119.597 120.200 -0.630 0.000 2.097 198 E HA -0.272 4.095 4.350 0.029 0.000 0.196 198 E C 1.265 177.684 176.600 -0.301 0.000 1.000 198 E CA 1.566 57.559 56.400 -0.677 0.000 0.804 198 E CB -0.240 28.790 29.700 -1.117 0.000 0.740 198 E HN 0.626 nan 8.360 nan 0.000 0.454 199 D N 0.612 120.863 120.400 -0.249 0.000 2.117 199 D HA -0.153 4.504 4.640 0.029 0.000 0.197 199 D C 2.226 178.455 176.300 -0.117 0.000 0.987 199 D CA 0.934 54.847 54.000 -0.145 0.000 0.829 199 D CB -0.179 40.552 40.800 -0.115 0.000 0.961 199 D HN 0.325 nan 8.370 nan 0.000 0.460 200 L N 0.962 122.109 121.223 -0.127 0.000 2.017 200 L HA -0.146 4.211 4.340 0.029 0.000 0.208 200 L C 2.712 179.499 176.870 -0.138 0.000 1.073 200 L CA 1.115 55.881 54.840 -0.123 0.000 0.745 200 L CB -0.553 41.437 42.059 -0.116 0.000 0.894 200 L HN -0.035 nan 8.230 nan 0.000 0.432 201 A N 0.073 122.842 122.820 -0.084 0.000 1.883 201 A HA -0.198 4.139 4.320 0.029 0.000 0.217 201 A C 2.369 179.928 177.584 -0.041 0.000 1.186 201 A CA 1.441 53.471 52.037 -0.011 0.000 0.624 201 A CB -0.423 18.655 19.000 0.130 0.000 0.822 201 A HN 0.259 nan 8.150 nan 0.000 0.444 202 R N -0.444 120.037 120.500 -0.033 0.000 2.120 202 R HA -0.096 4.262 4.340 0.029 0.000 0.234 202 R C 2.299 178.563 176.300 -0.060 0.000 1.123 202 R CA 1.241 57.330 56.100 -0.020 0.000 0.975 202 R CB -1.573 28.716 30.300 -0.019 0.000 0.866 202 R HN 0.550 nan 8.270 nan 0.000 0.446 203 G N 1.068 109.808 108.800 -0.100 0.000 2.414 203 G HA2 -0.189 3.789 3.960 0.029 0.000 0.215 203 G HA3 -0.189 3.789 3.960 0.029 0.000 0.215 203 G C 1.612 176.408 174.900 -0.174 0.000 1.188 203 G CA 0.260 45.293 45.100 -0.112 0.000 0.783 203 G HN 0.200 nan 8.290 nan 0.000 0.537 204 L N -0.151 120.876 121.223 -0.327 0.000 2.131 204 L HA -0.054 4.304 4.340 0.029 0.000 0.210 204 L C 2.694 179.336 176.870 -0.380 0.000 1.092 204 L CA 0.432 54.939 54.840 -0.555 0.000 0.759 204 L CB -0.375 40.907 42.059 -1.296 0.000 0.903 204 L HN 0.237 nan 8.230 nan 0.000 0.435 205 L N 0.243 121.350 121.223 -0.193 0.000 2.017 205 L HA -0.143 4.214 4.340 0.029 0.000 0.208 205 L C 2.646 179.529 176.870 0.022 0.000 1.073 205 L CA 2.113 56.984 54.840 0.051 0.000 0.745 205 L CB -0.783 41.340 42.059 0.108 0.000 0.894 205 L HN 0.127 nan 8.230 nan 0.000 0.432 206 A N -0.693 122.118 122.820 -0.015 0.000 1.933 206 A HA -0.228 4.110 4.320 0.029 0.000 0.218 206 A C 2.265 179.843 177.584 -0.010 0.000 1.175 206 A CA 2.247 54.281 52.037 -0.006 0.000 0.628 206 A CB -0.570 18.422 19.000 -0.014 0.000 0.814 206 A HN 0.573 nan 8.150 nan 0.000 0.444 207 M N -0.722 118.856 119.600 -0.037 0.000 2.200 207 M HA -0.080 4.417 4.480 0.029 0.000 0.265 207 M C 2.233 178.529 176.300 -0.007 0.000 1.066 207 M CA 1.883 57.165 55.300 -0.030 0.000 1.127 207 M CB -0.262 32.302 32.600 -0.060 0.000 1.379 207 M HN 0.668 nan 8.290 nan 0.000 0.420 208 T N -4.088 110.471 114.554 0.007 0.000 2.990 208 T HA 0.308 4.675 4.350 0.029 0.000 0.249 208 T C 1.472 176.222 174.700 0.084 0.000 1.039 208 T CA 0.595 62.731 62.100 0.059 0.000 1.036 208 T CB 0.223 69.163 68.868 0.120 0.000 0.994 208 T HN 0.536 nan 8.240 nan 0.000 0.489 209 G N 2.369 111.222 108.800 0.089 0.000 2.203 209 G HA2 -0.288 3.690 3.960 0.029 0.000 0.263 209 G HA3 -0.288 3.690 3.960 0.029 0.000 0.263 209 G C 0.015 174.976 174.900 0.102 0.000 1.012 209 G CA 0.059 45.208 45.100 0.083 0.000 0.749 209 G HN 0.710 nan 8.290 nan 0.000 0.512 210 R N 0.413 121.017 120.500 0.173 0.000 2.265 210 R HA 0.439 4.796 4.340 0.029 0.000 0.314 210 R C 1.987 178.334 176.300 0.078 0.000 1.053 210 R CA 0.248 56.422 56.100 0.123 0.000 0.931 210 R CB 0.944 31.339 30.300 0.158 0.000 1.024 210 R HN 0.419 nan 8.270 nan 0.000 0.457 211 S N 2.736 118.439 115.700 0.004 0.000 2.374 211 S HA -0.250 4.238 4.470 0.029 0.000 0.227 211 S C 1.555 176.114 174.600 -0.069 0.000 1.037 211 S CA 1.550 59.742 58.200 -0.014 0.000 1.024 211 S CB -0.195 62.988 63.200 -0.027 0.000 0.861 211 S HN 0.757 nan 8.310 nan 0.000 0.456 212 E N 1.385 121.462 120.200 -0.204 0.000 2.233 212 E HA -0.202 4.166 4.350 0.029 0.000 0.199 212 E C 1.239 177.631 176.600 -0.346 0.000 1.004 212 E CA 1.129 57.321 56.400 -0.346 0.000 0.819 212 E CB -0.862 28.500 29.700 -0.564 0.000 0.738 212 E HN 0.794 nan 8.360 nan 0.000 0.478 213 F N 1.072 121.032 119.950 0.016 0.000 2.693 213 F HA 0.187 4.734 4.527 0.032 0.000 0.303 213 F C 1.109 176.933 175.800 0.041 0.000 1.097 213 F CA -0.338 57.680 58.000 0.030 0.000 1.330 213 F CB 0.653 39.664 39.000 0.019 0.000 1.067 213 F HN -0.176 nan 8.300 nan 0.000 0.565 214 S N 0.065 115.854 115.700 0.148 0.000 2.442 214 S HA 0.498 4.985 4.470 0.029 0.000 0.297 214 S C 0.757 175.409 174.600 0.086 0.000 1.131 214 S CA 0.138 58.405 58.200 0.112 0.000 1.092 214 S CB 0.818 64.061 63.200 0.073 0.000 0.998 214 S HN 0.623 nan 8.310 nan 0.000 0.478 215 G N 4.543 113.405 108.800 0.103 0.000 2.198 215 G HA2 -0.218 3.760 3.960 0.029 0.000 0.260 215 G HA3 -0.218 3.760 3.960 0.029 0.000 0.260 215 G C 0.136 175.087 174.900 0.085 0.000 1.025 215 G CA 0.182 45.332 45.100 0.084 0.000 0.769 215 G HN 0.759 nan 8.290 nan 0.000 0.507 216 I N -0.341 120.322 120.570 0.155 0.000 2.752 216 I HA 0.317 4.504 4.170 0.029 0.000 0.287 216 I C 0.804 176.980 176.117 0.099 0.000 1.188 216 I CA 0.235 61.633 61.300 0.164 0.000 1.427 216 I CB 1.182 39.358 38.000 0.293 0.000 1.365 216 I HN 0.044 nan 8.210 nan 0.000 0.585 217 V N 7.926 127.777 119.914 -0.106 0.000 2.962 217 V HA 0.507 4.645 4.120 0.029 0.000 0.313 217 V C -2.365 173.411 176.094 -0.530 0.000 1.099 217 V CA -2.201 59.819 62.300 -0.466 0.000 0.971 217 V CB 2.486 34.134 31.823 -0.291 0.000 1.028 217 V HN 0.507 nan 8.190 nan 0.000 0.430 218 P HA 0.169 nan 4.420 nan 0.000 0.263 218 P C -0.587 176.623 177.300 -0.150 0.000 1.175 218 P CA 0.470 63.254 63.100 -0.527 0.000 0.761 218 P CB 0.344 31.671 31.700 -0.621 0.000 0.794 219 A N 3.835 126.673 122.820 0.029 0.000 2.425 219 A HA 0.261 4.599 4.320 0.029 0.000 0.242 219 A C 0.198 177.704 177.584 -0.130 0.000 1.077 219 A CA 0.209 52.227 52.037 -0.033 0.000 0.781 219 A CB 0.091 19.093 19.000 0.003 0.000 1.020 219 A HN 0.338 nan 8.150 nan 0.000 0.494 220 K N 0.770 121.065 120.400 -0.176 0.000 2.323 220 K HA 0.544 4.882 4.320 0.029 0.000 0.259 220 K C 0.061 176.509 176.600 -0.253 0.000 0.947 220 K CA 0.280 56.463 56.287 -0.172 0.000 0.819 220 K CB 1.414 33.859 32.500 -0.091 0.000 1.109 220 K HN 1.674 nan 8.250 nan 0.000 0.429 221 A N 3.268 125.904 122.820 -0.306 0.000 2.362 221 A HA -0.141 4.197 4.320 0.029 0.000 0.290 221 A C -2.252 175.161 177.584 -0.285 0.000 1.441 221 A CA -0.323 51.565 52.037 -0.247 0.000 0.743 221 A CB -1.823 17.112 19.000 -0.110 0.000 1.125 221 A HN 0.388 nan 8.150 nan 0.000 0.378 222 P HA 0.314 nan 4.420 nan 0.000 0.271 222 P C 0.086 177.286 177.300 -0.165 0.000 1.216 222 P CA 0.018 62.932 63.100 -0.309 0.000 0.776 222 P CB 0.521 31.942 31.700 -0.465 0.000 0.881 223 R N 3.063 123.514 120.500 -0.082 0.000 2.205 223 R HA 0.432 4.789 4.340 0.029 0.000 0.342 223 R C -0.195 176.073 176.300 -0.053 0.000 1.058 223 R CA -0.325 55.746 56.100 -0.050 0.000 0.904 223 R CB 0.179 30.469 30.300 -0.016 0.000 1.089 223 R HN 0.485 nan 8.270 nan 0.000 0.471 224 I N 1.312 121.851 120.570 -0.053 0.000 2.377 224 I HA 0.365 4.553 4.170 0.029 0.000 0.293 224 I C 0.671 176.749 176.117 -0.065 0.000 0.987 224 I CA -0.779 60.487 61.300 -0.056 0.000 1.185 224 I CB 2.138 40.117 38.000 -0.035 0.000 1.341 224 I HN 0.584 nan 8.210 nan 0.000 0.455 225 G N 5.485 114.229 108.800 -0.093 0.000 2.422 225 G HA2 0.554 4.532 3.960 0.029 0.000 0.317 225 G HA3 0.554 4.532 3.960 0.029 0.000 0.317 225 G C -0.783 174.052 174.900 -0.109 0.000 1.210 225 G CA -0.335 44.703 45.100 -0.103 0.000 0.930 225 G HN 0.338 nan 8.290 nan 0.000 0.468 226 V N 3.083 122.941 119.914 -0.094 0.000 2.407 226 V HA 0.481 4.618 4.120 0.029 0.000 0.278 226 V C 0.322 176.355 176.094 -0.101 0.000 1.037 226 V CA -0.564 61.666 62.300 -0.116 0.000 0.900 226 V CB 1.208 32.960 31.823 -0.118 0.000 0.983 226 V HN 0.753 nan 8.190 nan 0.000 0.459 227 V N 3.215 123.063 119.914 -0.111 0.000 2.444 227 V HA 0.580 4.718 4.120 0.029 0.000 0.294 227 V C 0.453 176.472 176.094 -0.125 0.000 1.022 227 V CA -0.734 61.537 62.300 -0.048 0.000 0.850 227 V CB 1.447 33.322 31.823 0.087 0.000 0.992 227 V HN 0.753 nan 8.190 nan 0.000 0.426 228 R N 1.780 122.202 120.500 -0.130 0.000 2.317 228 R HA 0.246 4.603 4.340 0.029 0.000 0.208 228 R C 0.057 176.336 176.300 -0.034 0.000 0.914 228 R CA -0.016 56.008 56.100 -0.126 0.000 1.060 228 R CB 0.021 30.302 30.300 -0.031 0.000 1.015 228 R HN 0.935 nan 8.270 nan 0.000 0.498 229 Q N 0.653 120.308 119.800 -0.241 0.000 2.447 229 Q HA -0.223 4.134 4.340 0.029 0.000 0.348 229 Q C -0.171 175.279 176.000 -0.916 0.000 1.421 229 Q CA 0.436 55.713 55.803 -0.877 0.000 0.978 229 Q CB -0.756 27.676 28.738 -0.510 0.000 1.191 229 Q HN 0.351 nan 8.270 nan 0.000 0.371 230 E N 0.013 119.810 120.200 -0.673 0.000 2.118 230 E HA -0.194 4.174 4.350 0.029 0.000 0.195 230 E C 1.272 177.566 176.600 -0.511 0.000 0.992 230 E CA 1.950 58.110 56.400 -0.400 0.000 0.804 230 E CB -0.353 29.225 29.700 -0.203 0.000 0.741 230 E HN 0.801 nan 8.360 nan 0.000 0.458 231 F N -0.541 119.115 119.950 -0.489 0.000 2.408 231 F HA 0.113 4.656 4.527 0.026 0.000 0.300 231 F C 1.897 177.070 175.800 -1.045 0.000 1.090 231 F CA 0.561 58.159 58.000 -0.671 0.000 1.427 231 F CB -0.443 38.068 39.000 -0.816 0.000 1.070 231 F HN -0.018 nan 8.300 nan 0.000 0.549 232 A N 0.468 122.577 122.820 -1.185 0.000 2.251 232 A HA 0.554 4.891 4.320 0.029 0.000 0.209 232 A C 1.422 178.709 177.584 -0.495 0.000 1.187 232 A CA 0.553 51.950 52.037 -1.066 0.000 0.823 232 A CB -1.230 17.213 19.000 -0.927 0.000 0.846 232 A HN 0.946 nan 8.150 nan 0.000 0.486 233 G N -1.681 106.924 108.800 -0.324 0.000 2.526 233 G HA2 0.384 4.361 3.960 0.029 0.000 0.250 233 G HA3 0.384 4.361 3.960 0.029 0.000 0.250 233 G C -0.019 174.861 174.900 -0.034 0.000 1.289 233 G CA -0.380 44.644 45.100 -0.125 0.000 0.947 233 G HN 1.565 nan 8.290 nan 0.000 0.517 234 A N -0.856 121.965 122.820 0.002 0.000 2.328 234 A HA 0.733 5.070 4.320 0.029 0.000 0.284 234 A C 0.603 178.207 177.584 0.035 0.000 1.160 234 A CA 0.469 52.510 52.037 0.007 0.000 0.818 234 A CB 1.262 20.259 19.000 -0.004 0.000 1.087 234 A HN 2.141 nan 8.150 nan 0.000 0.504 235 V N 2.387 122.258 119.914 -0.072 0.000 2.997 235 V HA 0.271 4.409 4.120 0.029 0.000 0.311 235 V C 0.355 176.345 176.094 -0.175 0.000 1.066 235 V CA -0.516 61.639 62.300 -0.242 0.000 1.039 235 V CB 1.475 32.795 31.823 -0.837 0.000 1.081 235 V HN 1.011 nan 8.190 nan 0.000 0.467 236 E N 4.984 125.082 120.200 -0.170 0.000 2.301 236 E HA 0.249 4.616 4.350 0.029 0.000 0.275 236 E C -1.803 174.733 176.600 -0.106 0.000 1.030 236 E CA -1.433 54.911 56.400 -0.094 0.000 0.852 236 E CB 1.365 31.037 29.700 -0.047 0.000 1.060 236 E HN 0.499 nan 8.360 nan 0.000 0.401 237 P HA -0.341 nan 4.420 nan 0.000 0.218 237 P C 1.045 178.323 177.300 -0.037 0.000 1.165 237 P CA 2.089 65.163 63.100 -0.043 0.000 0.922 237 P CB 0.115 31.799 31.700 -0.027 0.000 0.794 238 A N -0.580 122.219 122.820 -0.035 0.000 1.958 238 A HA -0.235 4.102 4.320 0.029 0.000 0.221 238 A C 2.313 179.886 177.584 -0.018 0.000 1.178 238 A CA 2.494 54.515 52.037 -0.027 0.000 0.642 238 A CB -1.635 17.347 19.000 -0.030 0.000 0.816 238 A HN 0.250 nan 8.150 nan 0.000 0.453 239 A N -0.508 122.285 122.820 -0.046 0.000 1.898 239 A HA -0.090 4.248 4.320 0.029 0.000 0.216 239 A C 1.985 179.620 177.584 0.084 0.000 1.181 239 A CA 2.018 54.035 52.037 -0.035 0.000 0.620 239 A CB -0.445 18.409 19.000 -0.244 0.000 0.819 239 A HN 0.549 nan 8.150 nan 0.000 0.442 240 E N 0.208 120.438 120.200 0.050 0.000 2.106 240 E HA -0.199 4.169 4.350 0.029 0.000 0.192 240 E C 2.060 178.706 176.600 0.076 0.000 0.984 240 E CA 1.735 58.232 56.400 0.162 0.000 0.806 240 E CB -0.395 29.354 29.700 0.080 0.000 0.750 240 E HN 0.697 nan 8.360 nan 0.000 0.458 241 Q N -0.570 119.248 119.800 0.031 0.000 2.096 241 Q HA -0.131 4.227 4.340 0.029 0.000 0.204 241 Q C 2.184 178.191 176.000 0.011 0.000 0.982 241 Q CA 1.517 57.327 55.803 0.011 0.000 0.850 241 Q CB -0.434 28.302 28.738 -0.003 0.000 0.901 241 Q HN 0.472 nan 8.270 nan 0.000 0.422 242 G N 0.645 109.458 108.800 0.022 0.000 2.402 242 G HA2 -0.236 3.742 3.960 0.029 0.000 0.216 242 G HA3 -0.236 3.742 3.960 0.029 0.000 0.216 242 G C 1.340 176.242 174.900 0.003 0.000 1.162 242 G CA 0.512 45.620 45.100 0.013 0.000 0.777 242 G HN 0.236 nan 8.290 nan 0.000 0.539 243 L N 0.347 121.580 121.223 0.017 0.000 2.046 243 L HA -0.007 4.350 4.340 0.029 0.000 0.208 243 L C 2.845 179.685 176.870 -0.050 0.000 1.077 243 L CA 1.909 56.717 54.840 -0.053 0.000 0.747 243 L CB -0.550 41.424 42.059 -0.142 0.000 0.896 243 L HN 0.286 nan 8.230 nan 0.000 0.432 244 Q N -1.125 118.661 119.800 -0.022 0.000 2.119 244 Q HA -0.129 4.228 4.340 0.029 0.000 0.201 244 Q C 2.247 178.235 176.000 -0.021 0.000 0.972 244 Q CA 1.390 57.180 55.803 -0.022 0.000 0.847 244 Q CB -0.262 28.470 28.738 -0.009 0.000 0.903 244 Q HN 0.684 nan 8.270 nan 0.000 0.433 245 A N 0.910 123.719 122.820 -0.018 0.000 1.933 245 A HA -0.146 4.191 4.320 0.029 0.000 0.218 245 A C 2.226 179.794 177.584 -0.027 0.000 1.175 245 A CA 1.643 53.667 52.037 -0.021 0.000 0.628 245 A CB -0.670 18.319 19.000 -0.019 0.000 0.814 245 A HN 0.409 nan 8.150 nan 0.000 0.444 246 A N -0.176 122.626 122.820 -0.031 0.000 1.897 246 A HA 0.004 4.342 4.320 0.029 0.000 0.215 246 A C 2.105 179.674 177.584 -0.026 0.000 1.181 246 A CA 1.343 53.360 52.037 -0.034 0.000 0.620 246 A CB -0.527 18.450 19.000 -0.039 0.000 0.821 246 A HN 0.480 nan 8.150 nan 0.000 0.443 247 I N -0.514 120.039 120.570 -0.028 0.000 2.226 247 I HA -0.255 3.933 4.170 0.029 0.000 0.245 247 I C 2.558 178.672 176.117 -0.005 0.000 1.100 247 I CA 1.828 63.117 61.300 -0.017 0.000 1.374 247 I CB -0.256 37.725 38.000 -0.032 0.000 1.057 247 I HN 0.401 nan 8.210 nan 0.000 0.413 248 K N 1.416 121.809 120.400 -0.012 0.000 2.002 248 K HA -0.182 4.155 4.320 0.029 0.000 0.209 248 K C 2.259 178.853 176.600 -0.010 0.000 1.048 248 K CA 1.545 57.827 56.287 -0.009 0.000 0.930 248 K CB -0.144 32.349 32.500 -0.013 0.000 0.714 248 K HN 0.249 nan 8.250 nan 0.000 0.438 249 A N 1.172 123.977 122.820 -0.025 0.000 1.883 249 A HA -0.167 4.171 4.320 0.029 0.000 0.217 249 A C 2.368 179.923 177.584 -0.048 0.000 1.186 249 A CA 2.151 54.160 52.037 -0.047 0.000 0.624 249 A CB -1.016 17.941 19.000 -0.072 0.000 0.822 249 A HN 0.524 nan 8.150 nan 0.000 0.444 250 A N -0.444 122.366 122.820 -0.016 0.000 1.908 250 A HA -0.204 4.134 4.320 0.029 0.000 0.218 250 A C 1.940 179.619 177.584 0.158 0.000 1.181 250 A CA 1.785 53.875 52.037 0.088 0.000 0.627 250 A CB -0.573 18.531 19.000 0.173 0.000 0.818 250 A HN 0.656 nan 8.150 nan 0.000 0.445 251 E N -0.785 119.465 120.200 0.083 0.000 2.077 251 E HA -0.173 4.194 4.350 0.029 0.000 0.193 251 E C 2.263 178.901 176.600 0.064 0.000 0.989 251 E CA 0.866 57.308 56.400 0.069 0.000 0.800 251 E CB -0.106 29.614 29.700 0.033 0.000 0.746 251 E HN 0.323 nan 8.360 nan 0.000 0.452 252 R N 0.222 120.745 120.500 0.039 0.000 2.120 252 R HA -0.033 4.324 4.340 0.029 0.000 0.234 252 R C 1.950 178.278 176.300 0.046 0.000 1.123 252 R CA 1.047 57.163 56.100 0.027 0.000 0.975 252 R CB -0.646 29.655 30.300 0.003 0.000 0.866 252 R HN 0.123 nan 8.270 nan 0.000 0.446 253 A N -0.237 122.624 122.820 0.069 0.000 2.206 253 A HA 0.251 4.588 4.320 0.029 0.000 0.211 253 A C 1.373 179.106 177.584 0.248 0.000 1.158 253 A CA 1.098 53.207 52.037 0.121 0.000 0.761 253 A CB -0.084 18.898 19.000 -0.029 0.000 0.801 253 A HN 0.426 nan 8.150 nan 0.000 0.473 254 G N -2.547 106.363 108.800 0.184 0.000 2.184 254 G HA2 0.168 4.145 3.960 0.029 0.000 0.206 254 G HA3 0.168 4.145 3.960 0.029 0.000 0.206 254 G C 0.344 175.293 174.900 0.082 0.000 0.995 254 G CA 0.088 45.260 45.100 0.120 0.000 0.651 254 G HN 1.476 nan 8.290 nan 0.000 0.511 255 A N 0.527 123.435 122.820 0.146 0.000 2.371 255 A HA 0.714 5.051 4.320 0.029 0.000 0.257 255 A C 0.920 178.516 177.584 0.021 0.000 1.089 255 A CA 0.826 52.883 52.037 0.033 0.000 0.794 255 A CB 0.500 19.573 19.000 0.121 0.000 1.029 255 A HN 1.838 nan 8.150 nan 0.000 0.488 256 S N 1.630 117.319 115.700 -0.018 0.000 2.404 256 S HA 0.512 5.000 4.470 0.029 0.000 0.309 256 S C -0.452 174.139 174.600 -0.014 0.000 1.076 256 S CA -0.610 57.583 58.200 -0.012 0.000 1.095 256 S CB 0.392 63.579 63.200 -0.021 0.000 0.972 256 S HN 0.617 nan 8.310 nan 0.000 0.484 257 V N 5.000 124.911 119.914 -0.006 0.000 2.435 257 V HA 0.572 4.709 4.120 0.029 0.000 0.290 257 V C -0.099 175.982 176.094 -0.022 0.000 1.030 257 V CA -0.613 61.679 62.300 -0.014 0.000 0.881 257 V CB 1.107 32.927 31.823 -0.005 0.000 0.983 257 V HN 0.997 nan 8.190 nan 0.000 0.445 258 Q N 3.742 123.523 119.800 -0.032 0.000 2.305 258 Q HA 0.836 5.194 4.340 0.029 0.000 0.271 258 Q C -0.820 175.156 176.000 -0.041 0.000 1.046 258 Q CA -0.796 54.988 55.803 -0.032 0.000 0.798 258 Q CB 2.305 31.025 28.738 -0.029 0.000 1.286 258 Q HN 0.760 nan 8.270 nan 0.000 0.435 259 A N 3.958 126.756 122.820 -0.035 0.000 2.371 259 A HA 0.737 5.075 4.320 0.029 0.000 0.257 259 A C 0.013 177.580 177.584 -0.028 0.000 1.089 259 A CA -0.464 51.550 52.037 -0.038 0.000 0.794 259 A CB 0.153 19.133 19.000 -0.032 0.000 1.029 259 A HN 0.825 nan 8.150 nan 0.000 0.488 260 I N -1.448 119.108 120.570 -0.024 0.000 2.841 260 I HA 0.470 4.657 4.170 0.029 0.000 0.298 260 I C -1.647 174.488 176.117 0.029 0.000 1.304 260 I CA -0.996 60.301 61.300 -0.005 0.000 1.019 260 I CB 2.281 40.267 38.000 -0.023 0.000 1.282 260 I HN 0.373 nan 8.210 nan 0.000 0.432 261 D N 4.450 124.884 120.400 0.057 0.000 2.193 261 D HA 0.576 5.233 4.640 0.029 0.000 0.249 261 D C -0.422 175.981 176.300 0.170 0.000 1.034 261 D CA -0.228 53.847 54.000 0.125 0.000 0.902 261 D CB 2.706 43.581 40.800 0.125 0.000 1.182 261 D HN 0.414 nan 8.370 nan 0.000 0.436 262 L N 2.224 123.644 121.223 0.329 0.000 2.375 262 L HA 0.288 4.645 4.340 0.029 0.000 0.271 262 L C -2.043 174.919 176.870 0.153 0.000 1.107 262 L CA -1.656 53.375 54.840 0.317 0.000 0.806 262 L CB 0.636 42.988 42.059 0.488 0.000 1.146 262 L HN 0.056 nan 8.230 nan 0.000 0.447 263 P HA -0.096 nan 4.420 nan 0.000 0.269 263 P C 0.281 177.311 177.300 -0.450 0.000 1.211 263 P CA 0.015 63.023 63.100 -0.154 0.000 0.781 263 P CB 0.584 32.238 31.700 -0.076 0.000 0.877 264 E N 2.439 122.367 120.200 -0.454 0.000 2.110 264 E HA -0.196 4.171 4.350 0.029 0.000 0.193 264 E C 1.793 178.191 176.600 -0.337 0.000 0.988 264 E CA 1.978 58.048 56.400 -0.549 0.000 0.804 264 E CB -1.010 28.526 29.700 -0.273 0.000 0.745 264 E HN 0.407 nan 8.360 nan 0.000 0.458 265 A N 0.001 122.696 122.820 -0.208 0.000 2.019 265 A HA -0.102 4.236 4.320 0.029 0.000 0.219 265 A C 2.428 179.936 177.584 -0.126 0.000 1.164 265 A CA 1.506 53.465 52.037 -0.132 0.000 0.644 265 A CB -0.490 18.456 19.000 -0.091 0.000 0.805 265 A HN 0.209 nan 8.150 nan 0.000 0.449 266 V N -0.584 119.246 119.914 -0.140 0.000 2.488 266 V HA -0.222 3.916 4.120 0.029 0.000 0.246 266 V C 2.187 178.135 176.094 -0.244 0.000 1.046 266 V CA 1.876 64.099 62.300 -0.128 0.000 1.053 266 V CB -1.121 30.680 31.823 -0.038 0.000 0.679 266 V HN 0.732 nan 8.190 nan 0.000 0.458 267 H N -0.376 118.381 119.070 -0.521 0.000 2.319 267 H HA -0.157 4.415 4.556 0.028 0.000 0.299 267 H C 2.432 177.557 175.328 -0.338 0.000 1.092 267 H CA 1.336 56.903 56.048 -0.803 0.000 1.302 267 H CB 0.166 29.646 29.762 -0.470 0.000 1.373 267 H HN 0.348 nan 8.280 nan 0.000 0.497 268 E N 0.878 121.044 120.200 -0.058 0.000 2.110 268 E HA -0.128 4.239 4.350 0.029 0.000 0.193 268 E C 2.499 179.074 176.600 -0.041 0.000 0.988 268 E CA 0.852 57.236 56.400 -0.027 0.000 0.804 268 E CB -0.238 29.432 29.700 -0.051 0.000 0.745 268 E HN 0.457 nan 8.360 nan 0.000 0.458 269 A N 0.466 123.239 122.820 -0.078 0.000 1.908 269 A HA -0.195 4.142 4.320 0.029 0.000 0.218 269 A C 2.061 179.609 177.584 -0.059 0.000 1.181 269 A CA 1.556 53.542 52.037 -0.085 0.000 0.627 269 A CB -1.199 17.739 19.000 -0.102 0.000 0.818 269 A HN 0.484 nan 8.150 nan 0.000 0.445 270 W N 0.565 121.706 121.300 -0.265 0.000 2.363 270 W HA -0.187 4.490 4.660 0.029 0.000 0.296 270 W C 2.353 178.803 176.519 -0.115 0.000 1.212 270 W CA 1.979 59.191 57.345 -0.222 0.000 1.260 270 W CB -0.122 29.153 29.460 -0.308 0.000 1.131 270 W HN 0.298 nan 8.180 nan 0.000 0.530 271 R N 0.737 121.266 120.500 0.048 0.000 2.092 271 R HA -0.153 4.205 4.340 0.029 0.000 0.231 271 R C 1.948 178.117 176.300 -0.219 0.000 1.119 271 R CA 2.070 58.093 56.100 -0.129 0.000 0.970 271 R CB -0.677 29.693 30.300 0.116 0.000 0.864 271 R HN 0.419 nan 8.270 nan 0.000 0.440 272 I N -1.458 119.027 120.570 -0.143 0.000 3.684 272 I HA -0.005 4.183 4.170 0.029 0.000 0.304 272 I C 1.943 177.968 176.117 -0.155 0.000 1.278 272 I CA 0.630 61.848 61.300 -0.137 0.000 1.272 272 I CB -0.557 37.373 38.000 -0.116 0.000 1.029 272 I HN 0.119 nan 8.210 nan 0.000 0.458 273 H N 2.970 121.863 119.070 -0.294 0.000 2.319 273 H HA -0.062 4.511 4.556 0.029 0.000 0.297 273 H C -0.706 174.465 175.328 -0.261 0.000 1.097 273 H CA 2.486 58.360 56.048 -0.290 0.000 1.285 273 H CB -1.221 28.324 29.762 -0.361 0.000 1.368 273 H HN 0.224 nan 8.280 nan 0.000 0.495 274 P HA -0.142 nan 4.420 nan 0.000 0.218 274 P C 1.919 179.147 177.300 -0.121 0.000 1.148 274 P CA 1.049 64.095 63.100 -0.090 0.000 0.822 274 P CB -0.018 31.611 31.700 -0.117 0.000 0.784 275 I N -1.027 119.477 120.570 -0.109 0.000 2.142 275 I HA -0.195 3.992 4.170 0.029 0.000 0.240 275 I C 2.358 178.466 176.117 -0.015 0.000 1.078 275 I CA 1.547 62.821 61.300 -0.045 0.000 1.343 275 I CB -1.394 36.580 38.000 -0.045 0.000 1.046 275 I HN -0.030 nan 8.210 nan 0.000 0.405 276 I N 0.406 120.918 120.570 -0.096 0.000 2.142 276 I HA -0.357 3.831 4.170 0.029 0.000 0.240 276 I C 2.767 178.759 176.117 -0.209 0.000 1.078 276 I CA 1.502 62.761 61.300 -0.070 0.000 1.343 276 I CB -0.513 37.348 38.000 -0.232 0.000 1.046 276 I HN 0.342 nan 8.210 nan 0.000 0.405 277 Q N 1.043 120.610 119.800 -0.388 0.000 2.045 277 Q HA -0.276 4.081 4.340 0.029 0.000 0.206 277 Q C 1.729 177.535 176.000 -0.324 0.000 0.991 277 Q CA 2.327 57.851 55.803 -0.464 0.000 0.851 277 Q CB -0.003 28.417 28.738 -0.529 0.000 0.911 277 Q HN 0.445 nan 8.270 nan 0.000 0.418 278 D N -0.431 119.861 120.400 -0.180 0.000 2.183 278 D HA -0.112 4.545 4.640 0.029 0.000 0.203 278 D C 1.558 177.837 176.300 -0.036 0.000 0.969 278 D CA 0.661 54.610 54.000 -0.084 0.000 0.842 278 D CB -0.298 40.494 40.800 -0.014 0.000 0.957 278 D HN 0.288 nan 8.370 nan 0.000 0.484 279 F N 1.931 121.774 119.950 -0.178 0.000 2.113 279 F HA -0.110 4.434 4.527 0.029 0.000 0.297 279 F C 2.161 177.763 175.800 -0.331 0.000 1.103 279 F CA 1.380 59.235 58.000 -0.243 0.000 1.248 279 F CB 0.096 38.858 39.000 -0.396 0.000 0.999 279 F HN -0.150 nan 8.300 nan 0.000 0.475 280 E N 0.191 120.217 120.200 -0.290 0.000 2.106 280 E HA -0.179 4.189 4.350 0.029 0.000 0.192 280 E C 2.346 178.774 176.600 -0.287 0.000 0.984 280 E CA 0.828 56.911 56.400 -0.528 0.000 0.806 280 E CB -0.378 28.712 29.700 -1.018 0.000 0.750 280 E HN 0.512 nan 8.360 nan 0.000 0.458 281 A N 1.357 124.052 122.820 -0.210 0.000 1.940 281 A HA -0.229 4.108 4.320 0.029 0.000 0.219 281 A C 1.862 179.336 177.584 -0.184 0.000 1.176 281 A CA 1.397 53.395 52.037 -0.066 0.000 0.631 281 A CB -0.701 18.327 19.000 0.047 0.000 0.814 281 A HN 0.288 nan 8.150 nan 0.000 0.446 282 H N -0.873 118.034 119.070 -0.273 0.000 2.421 282 H HA -0.041 4.532 4.556 0.029 0.000 0.298 282 H C 2.340 177.515 175.328 -0.254 0.000 1.087 282 H CA 1.798 57.624 56.048 -0.369 0.000 1.330 282 H CB 0.122 29.573 29.762 -0.520 0.000 1.388 282 H HN 0.354 nan 8.280 nan 0.000 0.526 283 R N 0.253 120.706 120.500 -0.079 0.000 2.080 283 R HA 0.106 4.463 4.340 0.029 0.000 0.222 283 R C 2.494 178.882 176.300 0.146 0.000 1.107 283 R CA 1.009 57.138 56.100 0.049 0.000 0.980 283 R CB -0.499 29.921 30.300 0.200 0.000 0.879 283 R HN 0.207 nan 8.270 nan 0.000 0.439 284 A N 0.177 123.130 122.820 0.221 0.000 1.972 284 A HA -0.025 4.312 4.320 0.029 0.000 0.219 284 A C 1.347 178.992 177.584 0.102 0.000 1.169 284 A CA 1.106 53.279 52.037 0.228 0.000 0.635 284 A CB -0.216 18.962 19.000 0.295 0.000 0.810 284 A HN 0.224 nan 8.150 nan 0.000 0.446 285 L N -1.115 120.119 121.223 0.019 0.000 3.110 285 L HA 0.286 4.644 4.340 0.029 0.000 0.266 285 L C 2.013 178.912 176.870 0.049 0.000 1.257 285 L CA 0.173 54.988 54.840 -0.041 0.000 1.038 285 L CB 0.180 42.102 42.059 -0.228 0.000 1.395 285 L HN 0.330 nan 8.230 nan 0.000 0.566 286 A N 0.437 123.319 122.820 0.103 0.000 1.908 286 A HA -0.250 4.087 4.320 0.029 0.000 0.218 286 A C 1.924 179.635 177.584 0.211 0.000 1.181 286 A CA 1.753 53.881 52.037 0.152 0.000 0.627 286 A CB -0.645 18.428 19.000 0.123 0.000 0.818 286 A HN 0.723 nan 8.150 nan 0.000 0.445 287 W N 0.974 122.305 121.300 0.052 0.000 2.355 287 W HA -0.175 4.503 4.660 0.029 0.000 0.309 287 W C 1.859 178.429 176.519 0.085 0.000 1.206 287 W CA 2.138 59.516 57.345 0.056 0.000 1.284 287 W CB -0.216 29.264 29.460 0.034 0.000 1.145 287 W HN 0.404 nan 8.180 nan 0.000 0.502 288 E N -0.456 119.802 120.200 0.097 0.000 2.077 288 E HA -0.222 4.146 4.350 0.029 0.000 0.193 288 E C 1.951 178.474 176.600 -0.129 0.000 0.989 288 E CA 1.855 58.176 56.400 -0.132 0.000 0.800 288 E CB -1.069 28.567 29.700 -0.107 0.000 0.746 288 E HN 0.344 nan 8.360 nan 0.000 0.452 289 F N 0.623 120.477 119.950 -0.160 0.000 2.186 289 F HA -0.139 4.406 4.527 0.030 0.000 0.299 289 F C 2.064 177.840 175.800 -0.040 0.000 1.090 289 F CA 1.170 59.114 58.000 -0.094 0.000 1.307 289 F CB 0.031 39.005 39.000 -0.043 0.000 1.019 289 F HN -0.104 nan 8.300 nan 0.000 0.489 290 S N -0.407 115.269 115.700 -0.039 0.000 2.388 290 S HA -0.057 4.430 4.470 0.029 0.000 0.223 290 S C 1.649 176.067 174.600 -0.302 0.000 1.034 290 S CA 1.036 59.155 58.200 -0.135 0.000 0.963 290 S CB -0.095 63.084 63.200 -0.034 0.000 0.827 290 S HN 0.392 nan 8.310 nan 0.000 0.481 291 E N 0.325 120.233 120.200 -0.487 0.000 2.431 291 E HA 0.119 4.486 4.350 0.029 0.000 0.200 291 E C 0.079 176.086 176.600 -0.988 0.000 0.995 291 E CA 0.539 56.502 56.400 -0.728 0.000 0.915 291 E CB 0.131 29.248 29.700 -0.973 0.000 0.930 291 E HN 0.555 nan 8.360 nan 0.000 0.496 292 H N -0.252 118.544 119.070 -0.458 0.000 2.767 292 H HA 0.104 4.677 4.556 0.029 0.000 0.235 292 H C 1.157 176.364 175.328 -0.201 0.000 1.256 292 H CA -0.206 55.655 56.048 -0.311 0.000 0.957 292 H CB 0.249 29.796 29.762 -0.358 0.000 2.117 292 H HN 0.173 nan 8.280 nan 0.000 0.602 293 H N 1.999 120.901 119.070 -0.280 0.000 2.265 293 H HA -0.142 4.432 4.556 0.029 0.000 0.293 293 H C 0.504 175.734 175.328 -0.163 0.000 1.089 293 H CA 2.049 57.906 56.048 -0.317 0.000 1.244 293 H CB 0.305 29.767 29.762 -0.500 0.000 1.355 293 H HN 0.321 nan 8.280 nan 0.000 0.485 294 D N 0.346 120.813 120.400 0.112 0.000 2.351 294 D HA -0.081 4.577 4.640 0.029 0.000 0.216 294 D C 1.831 178.147 176.300 0.026 0.000 0.968 294 D CA 0.662 54.714 54.000 0.086 0.000 0.899 294 D CB -0.271 40.562 40.800 0.054 0.000 0.907 294 D HN 0.621 nan 8.370 nan 0.000 0.514 295 E N -0.326 119.890 120.200 0.026 0.000 2.442 295 E HA 0.110 4.478 4.350 0.029 0.000 0.195 295 E C 0.461 177.106 176.600 0.076 0.000 1.030 295 E CA -0.133 56.301 56.400 0.056 0.000 0.869 295 E CB 0.567 30.322 29.700 0.091 0.000 0.857 295 E HN 0.273 nan 8.360 nan 0.000 0.505 296 I N 2.025 122.619 120.570 0.040 0.000 2.496 296 I HA 0.051 4.238 4.170 0.029 0.000 0.285 296 I C 0.569 176.722 176.117 0.061 0.000 1.080 296 I CA -0.681 60.679 61.300 0.099 0.000 1.404 296 I CB 0.779 38.775 38.000 -0.006 0.000 1.403 296 I HN 0.005 nan 8.210 nan 0.000 0.539 297 A N 8.543 131.420 122.820 0.096 0.000 2.587 297 A HA 0.048 4.385 4.320 0.029 0.000 0.233 297 A C -1.417 176.186 177.584 0.031 0.000 1.049 297 A CA -0.639 51.426 52.037 0.047 0.000 0.754 297 A CB -0.433 18.587 19.000 0.034 0.000 0.977 297 A HN 0.609 nan 8.150 nan 0.000 0.509 298 P HA -0.288 nan 4.420 nan 0.000 0.216 298 P C 1.635 178.951 177.300 0.027 0.000 1.167 298 P CA 2.466 65.579 63.100 0.022 0.000 0.933 298 P CB -0.134 31.580 31.700 0.023 0.000 0.793 299 M N -2.491 117.127 119.600 0.030 0.000 2.099 299 M HA -0.124 4.374 4.480 0.029 0.000 0.262 299 M C 2.184 178.506 176.300 0.036 0.000 1.067 299 M CA 1.524 56.845 55.300 0.036 0.000 1.124 299 M CB -1.138 31.485 32.600 0.038 0.000 1.353 299 M HN -0.041 nan 8.290 nan 0.000 0.410 300 L N 0.718 121.960 121.223 0.032 0.000 2.046 300 L HA -0.132 4.225 4.340 0.029 0.000 0.208 300 L C 2.533 179.408 176.870 0.008 0.000 1.077 300 L CA 1.862 56.714 54.840 0.020 0.000 0.747 300 L CB -0.774 41.299 42.059 0.024 0.000 0.896 300 L HN 0.190 nan 8.230 nan 0.000 0.432 301 R N -0.675 119.827 120.500 0.004 0.000 2.105 301 R HA -0.152 4.206 4.340 0.029 0.000 0.239 301 R C 2.109 178.435 176.300 0.043 0.000 1.135 301 R CA 1.367 57.450 56.100 -0.028 0.000 0.967 301 R CB -0.295 29.945 30.300 -0.100 0.000 0.861 301 R HN 0.536 nan 8.270 nan 0.000 0.442 302 A N 0.188 123.038 122.820 0.050 0.000 1.872 302 A HA -0.140 4.197 4.320 0.029 0.000 0.214 302 A C 2.138 179.768 177.584 0.078 0.000 1.187 302 A CA 1.660 53.742 52.037 0.074 0.000 0.614 302 A CB -0.620 18.414 19.000 0.057 0.000 0.826 302 A HN 0.566 nan 8.150 nan 0.000 0.442 303 S N 0.070 115.803 115.700 0.055 0.000 2.399 303 S HA -0.075 4.412 4.470 0.029 0.000 0.231 303 S C 1.875 176.500 174.600 0.043 0.000 1.022 303 S CA 1.414 59.644 58.200 0.049 0.000 0.983 303 S CB -0.666 62.563 63.200 0.047 0.000 0.803 303 S HN 0.426 nan 8.310 nan 0.000 0.480 304 L N 1.337 122.561 121.223 0.002 0.000 2.044 304 L HA -0.061 4.297 4.340 0.029 0.000 0.205 304 L C 2.502 179.485 176.870 0.188 0.000 1.075 304 L CA 1.474 56.247 54.840 -0.111 0.000 0.747 304 L CB -0.682 41.204 42.059 -0.289 0.000 0.903 304 L HN 0.216 nan 8.230 nan 0.000 0.435 305 D N 0.391 120.956 120.400 0.276 0.000 2.149 305 D HA -0.176 4.482 4.640 0.029 0.000 0.198 305 D C 2.128 178.543 176.300 0.191 0.000 0.990 305 D CA 1.548 55.748 54.000 0.333 0.000 0.839 305 D CB 0.010 40.989 40.800 0.297 0.000 0.948 305 D HN 0.310 nan 8.370 nan 0.000 0.460 306 A N -0.003 122.899 122.820 0.137 0.000 2.119 306 A HA -0.043 4.294 4.320 0.029 0.000 0.217 306 A C 1.851 179.478 177.584 0.072 0.000 1.153 306 A CA 1.686 53.776 52.037 0.089 0.000 0.692 306 A CB -0.281 18.760 19.000 0.069 0.000 0.799 306 A HN 0.319 nan 8.150 nan 0.000 0.458 307 T N -2.889 111.731 114.554 0.111 0.000 3.132 307 T HA 0.230 4.597 4.350 0.029 0.000 0.274 307 T C 1.232 175.844 174.700 -0.146 0.000 1.011 307 T CA 0.523 62.663 62.100 0.068 0.000 0.899 307 T CB -0.366 68.584 68.868 0.136 0.000 1.089 307 T HN 0.541 nan 8.240 nan 0.000 0.543 308 V N -0.720 119.045 119.914 -0.248 0.000 2.688 308 V HA 0.150 4.288 4.120 0.029 0.000 0.256 308 V C 2.285 178.183 176.094 -0.326 0.000 1.084 308 V CA 1.764 63.732 62.300 -0.554 0.000 1.103 308 V CB -1.369 30.323 31.823 -0.218 0.000 0.688 308 V HN 0.515 nan 8.190 nan 0.000 0.480 309 G N -0.163 108.547 108.800 -0.149 0.000 2.985 309 G HA2 0.261 4.238 3.960 0.029 0.000 0.209 309 G HA3 0.261 4.238 3.960 0.029 0.000 0.209 309 G C 0.548 175.435 174.900 -0.020 0.000 1.165 309 G CA -0.432 44.626 45.100 -0.070 0.000 0.776 309 G HN 0.505 nan 8.290 nan 0.000 0.541 310 L N 2.370 123.588 121.223 -0.009 0.000 2.499 310 L HA 0.213 4.570 4.340 0.029 0.000 0.273 310 L C 1.107 178.119 176.870 0.237 0.000 1.195 310 L CA -0.117 54.796 54.840 0.122 0.000 0.882 310 L CB 0.604 42.787 42.059 0.207 0.000 1.133 310 L HN 0.144 nan 8.230 nan 0.000 0.483 311 T N -0.320 114.339 114.554 0.176 0.000 2.943 311 T HA 0.358 4.726 4.350 0.029 0.000 0.284 311 T C -2.006 172.715 174.700 0.035 0.000 1.015 311 T CA -2.061 60.139 62.100 0.166 0.000 1.042 311 T CB 1.881 70.789 68.868 0.066 0.000 1.055 311 T HN 0.275 nan 8.240 nan 0.000 0.500 312 P HA -0.049 nan 4.420 nan 0.000 0.218 312 P C 1.480 178.725 177.300 -0.091 0.000 1.148 312 P CA 0.921 63.961 63.100 -0.100 0.000 0.822 312 P CB 0.144 31.909 31.700 0.109 0.000 0.784 313 K N 0.659 121.033 120.400 -0.043 0.000 2.002 313 K HA -0.193 4.144 4.320 0.029 0.000 0.209 313 K C 2.105 178.655 176.600 -0.083 0.000 1.048 313 K CA 1.773 58.029 56.287 -0.052 0.000 0.930 313 K CB -0.238 32.248 32.500 -0.024 0.000 0.714 313 K HN 0.185 nan 8.250 nan 0.000 0.438 314 E N -0.657 119.502 120.200 -0.069 0.000 2.208 314 E HA -0.230 4.138 4.350 0.029 0.000 0.193 314 E C 1.967 178.501 176.600 -0.111 0.000 0.988 314 E CA 0.790 57.147 56.400 -0.073 0.000 0.828 314 E CB -0.486 29.193 29.700 -0.036 0.000 0.763 314 E HN 0.462 nan 8.360 nan 0.000 0.478 315 Y N 2.569 122.655 120.300 -0.355 0.000 2.200 315 Y HA -0.135 4.433 4.550 0.029 0.000 0.290 315 Y C 1.581 177.274 175.900 -0.345 0.000 1.137 315 Y CA 1.871 59.672 58.100 -0.499 0.000 1.163 315 Y CB -0.151 37.598 38.460 -1.185 0.000 0.988 315 Y HN -0.080 nan 8.280 nan 0.000 0.518 316 D N 0.141 120.280 120.400 -0.435 0.000 2.117 316 D HA -0.170 4.488 4.640 0.029 0.000 0.197 316 D C 1.986 178.097 176.300 -0.316 0.000 0.987 316 D CA 1.619 55.359 54.000 -0.433 0.000 0.829 316 D CB -0.270 40.395 40.800 -0.226 0.000 0.961 316 D HN 0.410 nan 8.370 nan 0.000 0.460 317 E N 1.074 121.142 120.200 -0.219 0.000 2.110 317 E HA -0.073 4.295 4.350 0.029 0.000 0.193 317 E C 1.858 178.352 176.600 -0.177 0.000 0.988 317 E CA 1.227 57.530 56.400 -0.162 0.000 0.804 317 E CB -0.331 29.302 29.700 -0.112 0.000 0.745 317 E HN 0.155 nan 8.360 nan 0.000 0.458 318 A N 0.761 123.456 122.820 -0.208 0.000 1.902 318 A HA -0.169 4.168 4.320 0.029 0.000 0.217 318 A C 2.207 179.652 177.584 -0.232 0.000 1.181 318 A CA 1.619 53.540 52.037 -0.193 0.000 0.623 318 A CB -0.435 18.461 19.000 -0.173 0.000 0.818 318 A HN 0.217 nan 8.150 nan 0.000 0.443 319 R N -0.717 119.583 120.500 -0.333 0.000 2.148 319 R HA -0.036 4.321 4.340 0.029 0.000 0.227 319 R C 2.362 178.533 176.300 -0.214 0.000 1.103 319 R CA 1.144 57.057 56.100 -0.312 0.000 0.983 319 R CB -0.239 29.799 30.300 -0.436 0.000 0.874 319 R HN 0.516 nan 8.270 nan 0.000 0.451 320 R N 0.549 120.934 120.500 -0.192 0.000 2.075 320 R HA -0.053 4.305 4.340 0.029 0.000 0.232 320 R C 2.281 178.510 176.300 -0.118 0.000 1.126 320 R CA 1.263 57.281 56.100 -0.137 0.000 0.963 320 R CB -0.369 29.859 30.300 -0.119 0.000 0.858 320 R HN 0.208 nan 8.270 nan 0.000 0.435 321 I N 0.379 120.876 120.570 -0.122 0.000 2.226 321 I HA -0.187 4.001 4.170 0.029 0.000 0.245 321 I C 2.589 178.642 176.117 -0.107 0.000 1.100 321 I CA 1.479 62.716 61.300 -0.104 0.000 1.374 321 I CB -0.791 37.148 38.000 -0.101 0.000 1.057 321 I HN 0.320 nan 8.210 nan 0.000 0.413 322 G N 0.825 109.547 108.800 -0.129 0.000 2.440 322 G HA2 -0.247 3.730 3.960 0.029 0.000 0.218 322 G HA3 -0.247 3.730 3.960 0.029 0.000 0.218 322 G C 1.820 176.655 174.900 -0.107 0.000 1.154 322 G CA 0.568 45.592 45.100 -0.127 0.000 0.767 322 G HN 0.305 nan 8.290 nan 0.000 0.552 323 R N -0.104 120.332 120.500 -0.107 0.000 2.081 323 R HA 0.015 4.373 4.340 0.029 0.000 0.235 323 R C 2.850 179.108 176.300 -0.069 0.000 1.131 323 R CA 1.177 57.224 56.100 -0.088 0.000 0.960 323 R CB -0.275 29.974 30.300 -0.085 0.000 0.856 323 R HN 0.278 nan 8.270 nan 0.000 0.436 324 R N -0.295 120.164 120.500 -0.069 0.000 2.091 324 R HA -0.098 4.259 4.340 0.029 0.000 0.238 324 R C 2.428 178.698 176.300 -0.049 0.000 1.136 324 R CA 1.402 57.468 56.100 -0.057 0.000 0.959 324 R CB -0.567 29.696 30.300 -0.062 0.000 0.856 324 R HN 0.349 nan 8.270 nan 0.000 0.437 325 G N 0.979 109.743 108.800 -0.059 0.000 2.440 325 G HA2 -0.266 3.711 3.960 0.029 0.000 0.218 325 G HA3 -0.266 3.711 3.960 0.029 0.000 0.218 325 G C 1.374 176.267 174.900 -0.012 0.000 1.154 325 G CA 0.511 45.581 45.100 -0.049 0.000 0.767 325 G HN 0.246 nan 8.290 nan 0.000 0.552 326 R N -0.140 120.349 120.500 -0.019 0.000 2.061 326 R HA -0.004 4.353 4.340 0.029 0.000 0.230 326 R C 2.646 178.964 176.300 0.030 0.000 1.140 326 R CA 1.209 57.315 56.100 0.010 0.000 0.940 326 R CB -0.482 29.792 30.300 -0.044 0.000 0.839 326 R HN 0.299 nan 8.270 nan 0.000 0.429 327 R N 1.590 122.090 120.500 0.000 0.000 2.133 327 R HA -0.219 4.138 4.340 0.029 0.000 0.245 327 R C 1.711 178.032 176.300 0.035 0.000 1.137 327 R CA 2.177 58.283 56.100 0.011 0.000 0.947 327 R CB -0.166 30.128 30.300 -0.009 0.000 0.865 327 R HN 0.304 nan 8.270 nan 0.000 0.437 328 E N -0.032 120.182 120.200 0.024 0.000 2.418 328 E HA -0.142 4.226 4.350 0.029 0.000 0.197 328 E C 1.668 178.309 176.600 0.068 0.000 1.026 328 E CA 0.403 56.820 56.400 0.029 0.000 0.862 328 E CB 0.058 29.755 29.700 -0.005 0.000 0.799 328 E HN 0.265 nan 8.360 nan 0.000 0.518 329 L N 0.053 121.343 121.223 0.112 0.000 2.095 329 L HA 0.091 4.449 4.340 0.029 0.000 0.204 329 L C 2.146 179.193 176.870 0.295 0.000 1.080 329 L CA 1.783 56.745 54.840 0.204 0.000 0.759 329 L CB -0.782 41.440 42.059 0.271 0.000 0.914 329 L HN 0.047 nan 8.230 nan 0.000 0.439 330 G N -0.747 108.208 108.800 0.259 0.000 2.469 330 G HA2 -0.294 3.684 3.960 0.029 0.000 0.220 330 G HA3 -0.294 3.684 3.960 0.029 0.000 0.220 330 G C 1.398 176.451 174.900 0.255 0.000 1.136 330 G CA 0.975 46.250 45.100 0.291 0.000 0.759 330 G HN 0.558 nan 8.290 nan 0.000 0.562 331 E N -0.125 120.165 120.200 0.151 0.000 2.110 331 E HA -0.088 4.279 4.350 0.029 0.000 0.193 331 E C 2.638 179.282 176.600 0.074 0.000 0.988 331 E CA 0.858 57.316 56.400 0.096 0.000 0.804 331 E CB -0.124 29.608 29.700 0.054 0.000 0.745 331 E HN 0.330 nan 8.360 nan 0.000 0.458 332 V N 0.523 120.464 119.914 0.046 0.000 2.594 332 V HA -0.212 3.925 4.120 0.029 0.000 0.253 332 V C 1.432 177.410 176.094 -0.193 0.000 1.069 332 V CA 1.444 63.685 62.300 -0.098 0.000 1.082 332 V CB -0.437 31.278 31.823 -0.181 0.000 0.680 332 V HN 0.230 nan 8.190 nan 0.000 0.469 333 F N 0.079 120.063 119.950 0.057 0.000 2.769 333 F HA 0.105 4.633 4.527 0.001 0.000 0.304 333 F C 1.990 177.813 175.800 0.038 0.000 1.158 333 F CA 0.300 58.328 58.000 0.047 0.000 1.398 333 F CB -0.323 38.713 39.000 0.060 0.000 1.094 333 F HN 0.236 nan 8.300 nan 0.000 0.553 334 E N -0.270 120.012 120.200 0.137 0.000 2.170 334 E HA -0.033 4.335 4.350 0.029 0.000 0.191 334 E C 2.453 179.089 176.600 0.061 0.000 0.981 334 E CA 0.808 57.265 56.400 0.096 0.000 0.830 334 E CB -0.134 29.605 29.700 0.065 0.000 0.775 334 E HN 0.473 nan 8.360 nan 0.000 0.470 335 G N 1.232 110.049 108.800 0.029 0.000 2.510 335 G HA2 0.034 4.012 3.960 0.029 0.000 0.212 335 G HA3 0.034 4.012 3.960 0.029 0.000 0.212 335 G C 0.745 175.648 174.900 0.005 0.000 1.151 335 G CA 0.460 45.564 45.100 0.007 0.000 0.817 335 G HN 0.156 nan 8.290 nan 0.000 0.534 336 V N -2.584 117.326 119.914 -0.007 0.000 2.881 336 V HA 0.568 4.706 4.120 0.029 0.000 0.316 336 V C 0.137 176.291 176.094 0.100 0.000 1.070 336 V CA -0.736 61.562 62.300 -0.003 0.000 0.976 336 V CB 2.074 33.846 31.823 -0.087 0.000 1.038 336 V HN -0.019 nan 8.190 nan 0.000 0.446 337 D N 0.912 121.363 120.400 0.084 0.000 2.240 337 D HA 0.150 4.807 4.640 0.029 0.000 0.206 337 D C 0.668 177.014 176.300 0.076 0.000 0.963 337 D CA 1.772 55.844 54.000 0.121 0.000 0.863 337 D CB 1.073 41.940 40.800 0.112 0.000 0.973 337 D HN 0.769 nan 8.370 nan 0.000 0.501 338 V N -2.473 117.464 119.914 0.039 0.000 3.232 338 V HA 0.534 4.672 4.120 0.029 0.000 0.303 338 V C -1.281 174.804 176.094 -0.016 0.000 1.311 338 V CA -1.156 61.187 62.300 0.071 0.000 1.061 338 V CB 2.478 34.241 31.823 -0.099 0.000 1.085 338 V HN -0.166 nan 8.190 nan 0.000 0.447 339 L N 1.961 123.162 121.223 -0.037 0.000 2.342 339 L HA 0.749 5.107 4.340 0.029 0.000 0.271 339 L C -1.105 175.657 176.870 -0.179 0.000 1.008 339 L CA -0.754 53.988 54.840 -0.163 0.000 0.818 339 L CB 1.900 43.812 42.059 -0.245 0.000 1.296 339 L HN 0.665 nan 8.230 nan 0.000 0.427 340 L N 1.629 122.746 121.223 -0.177 0.000 2.385 340 L HA 0.799 5.156 4.340 0.029 0.000 0.273 340 L C -0.397 176.334 176.870 -0.232 0.000 0.990 340 L CA 0.394 55.126 54.840 -0.181 0.000 0.821 340 L CB 2.054 44.036 42.059 -0.129 0.000 1.279 340 L HN 0.682 nan 8.230 nan 0.000 0.412 341 T N 1.996 116.396 114.554 -0.257 0.000 2.665 341 T HA 0.503 4.871 4.350 0.029 0.000 0.303 341 T C -1.202 173.321 174.700 -0.295 0.000 1.334 341 T CA -0.414 61.484 62.100 -0.337 0.000 1.011 341 T CB 0.326 69.102 68.868 -0.153 0.000 1.573 341 T HN 0.309 nan 8.240 nan 0.000 0.492 342 Y N 0.750 120.975 120.300 -0.125 0.000 2.357 342 Y HA 0.357 4.927 4.550 0.034 0.000 0.340 342 Y C 1.881 177.750 175.900 -0.052 0.000 1.260 342 Y CA -0.134 57.867 58.100 -0.164 0.000 1.425 342 Y CB 0.639 38.849 38.460 -0.417 0.000 1.326 342 Y HN 0.480 nan 8.280 nan 0.000 0.580 343 S N 0.191 115.971 115.700 0.133 0.000 2.502 343 S HA 0.497 4.985 4.470 0.029 0.000 0.215 343 S C 0.245 174.914 174.600 0.115 0.000 1.009 343 S CA 0.331 58.594 58.200 0.105 0.000 0.908 343 S CB 0.264 63.493 63.200 0.049 0.000 0.801 343 S HN 0.741 nan 8.310 nan 0.000 0.505 344 A N 0.867 123.761 122.820 0.124 0.000 2.599 344 A HA 0.662 5.000 4.320 0.029 0.000 0.290 344 A C -2.676 174.995 177.584 0.145 0.000 1.101 344 A CA -1.054 51.077 52.037 0.156 0.000 0.674 344 A CB 0.009 19.061 19.000 0.087 0.000 1.277 344 A HN -0.077 nan 8.150 nan 0.000 0.419 345 P HA 0.177 nan 4.420 nan 0.000 0.221 345 P C 0.827 178.141 177.300 0.023 0.000 1.150 345 P CA 1.922 65.143 63.100 0.201 0.000 0.800 345 P CB 0.279 32.150 31.700 0.286 0.000 0.787 346 G N -2.323 106.544 108.800 0.112 0.000 2.392 346 G HA2 0.278 4.255 3.960 0.029 0.000 0.260 346 G HA3 0.278 4.255 3.960 0.029 0.000 0.260 346 G C -1.006 173.955 174.900 0.100 0.000 1.226 346 G CA -0.061 45.070 45.100 0.053 0.000 0.913 346 G HN 0.040 nan 8.290 nan 0.000 0.483 347 T N -0.557 113.994 114.554 -0.005 0.000 2.856 347 T HA 0.564 4.932 4.350 0.029 0.000 0.306 347 T C 0.920 175.451 174.700 -0.282 0.000 1.062 347 T CA 0.738 62.779 62.100 -0.098 0.000 1.083 347 T CB 0.979 69.763 68.868 -0.140 0.000 0.984 347 T HN 2.010 nan 8.240 nan 0.000 0.542 348 A N 3.522 125.998 122.820 -0.574 0.000 2.565 348 A HA 0.420 4.758 4.320 0.029 0.000 0.237 348 A C -2.125 175.257 177.584 -0.337 0.000 1.053 348 A CA -1.040 50.389 52.037 -1.013 0.000 0.755 348 A CB -0.937 17.624 19.000 -0.732 0.000 0.980 348 A HN 0.735 nan 8.150 nan 0.000 0.506 349 P HA 0.330 nan 4.420 nan 0.000 0.275 349 P C -0.120 177.209 177.300 0.048 0.000 1.227 349 P CA 0.104 63.197 63.100 -0.012 0.000 0.781 349 P CB 0.835 32.529 31.700 -0.010 0.000 0.906 350 A N 3.333 126.120 122.820 -0.055 0.000 2.531 350 A HA 0.001 4.338 4.320 0.029 0.000 0.236 350 A C 1.495 178.969 177.584 -0.182 0.000 1.062 350 A CA 0.183 51.986 52.037 -0.391 0.000 0.760 350 A CB 0.014 18.798 19.000 -0.359 0.000 0.995 350 A HN 0.458 nan 8.150 nan 0.000 0.501 351 K N 2.019 122.311 120.400 -0.180 0.000 2.160 351 K HA -0.203 4.134 4.320 0.029 0.000 0.206 351 K C 2.111 178.677 176.600 -0.057 0.000 1.047 351 K CA 1.592 57.834 56.287 -0.075 0.000 0.930 351 K CB -0.638 31.829 32.500 -0.054 0.000 0.720 351 K HN 0.833 nan 8.250 nan 0.000 0.450 352 A N 1.166 123.937 122.820 -0.080 0.000 2.076 352 A HA -0.111 4.227 4.320 0.029 0.000 0.220 352 A C 2.113 179.679 177.584 -0.031 0.000 1.160 352 A CA 1.031 53.038 52.037 -0.050 0.000 0.653 352 A CB -0.515 18.450 19.000 -0.059 0.000 0.801 352 A HN 0.214 nan 8.150 nan 0.000 0.455 353 L N -1.578 119.626 121.223 -0.031 0.000 2.465 353 L HA 0.068 4.425 4.340 0.029 0.000 0.224 353 L C 1.621 178.495 176.870 0.006 0.000 1.145 353 L CA 0.381 55.216 54.840 -0.008 0.000 0.834 353 L CB -0.481 41.576 42.059 -0.002 0.000 0.944 353 L HN 0.546 nan 8.230 nan 0.000 0.451 354 A N 0.367 123.190 122.820 0.005 0.000 2.687 354 A HA -0.208 4.130 4.320 0.029 0.000 0.299 354 A C 0.526 178.129 177.584 0.031 0.000 1.497 354 A CA 0.949 52.996 52.037 0.016 0.000 0.751 354 A CB -1.747 17.262 19.000 0.014 0.000 1.048 354 A HN 0.388 nan 8.150 nan 0.000 0.464 355 S N -1.292 114.433 115.700 0.042 0.000 2.548 355 S HA 0.660 5.148 4.470 0.029 0.000 0.276 355 S C 0.899 175.557 174.600 0.097 0.000 1.129 355 S CA 0.648 58.887 58.200 0.066 0.000 0.931 355 S CB 1.512 64.753 63.200 0.067 0.000 1.068 355 S HN 1.519 nan 8.310 nan 0.000 0.480 356 T N 0.847 115.475 114.554 0.123 0.000 3.129 356 T HA 0.532 4.900 4.350 0.029 0.000 0.251 356 T C 1.056 175.932 174.700 0.293 0.000 1.117 356 T CA 0.504 62.713 62.100 0.182 0.000 1.034 356 T CB -0.698 68.255 68.868 0.141 0.000 0.968 356 T HN 1.810 nan 8.240 nan 0.000 0.526 357 G N 0.754 109.699 108.800 0.242 0.000 2.629 357 G HA2 0.045 4.022 3.960 0.029 0.000 0.686 357 G HA3 0.045 4.022 3.960 0.029 0.000 0.686 357 G C -1.468 173.538 174.900 0.176 0.000 1.232 357 G CA -0.607 44.670 45.100 0.296 0.000 0.803 357 G HN 0.402 nan 8.290 nan 0.000 0.638 358 D N 1.043 121.538 120.400 0.159 0.000 2.249 358 D HA 0.558 5.216 4.640 0.029 0.000 0.246 358 D C -1.128 175.217 176.300 0.074 0.000 1.114 358 D CA -2.119 51.937 54.000 0.092 0.000 0.854 358 D CB 1.636 42.479 40.800 0.073 0.000 1.132 358 D HN 0.073 nan 8.370 nan 0.000 0.461 359 P HA 0.073 nan 4.420 nan 0.000 0.255 359 P C 0.942 178.245 177.300 0.006 0.000 1.301 359 P CA 0.048 63.163 63.100 0.025 0.000 0.817 359 P CB -0.044 31.655 31.700 -0.002 0.000 1.259 360 R N -0.547 119.934 120.500 -0.032 0.000 2.170 360 R HA -0.185 4.172 4.340 0.029 0.000 0.242 360 R C 0.870 177.188 176.300 0.029 0.000 1.145 360 R CA 1.619 57.722 56.100 0.005 0.000 0.984 360 R CB -1.563 28.687 30.300 -0.083 0.000 0.869 360 R HN 0.238 nan 8.270 nan 0.000 0.455 361 Y N 0.466 120.904 120.300 0.230 0.000 2.466 361 Y HA 0.209 4.776 4.550 0.029 0.000 0.272 361 Y C 1.504 177.611 175.900 0.344 0.000 1.169 361 Y CA -0.093 58.164 58.100 0.262 0.000 1.285 361 Y CB 0.246 38.840 38.460 0.223 0.000 1.078 361 Y HN 0.177 nan 8.280 nan 0.000 0.523 362 N N 0.081 118.981 118.700 0.334 0.000 2.545 362 N HA -0.019 4.739 4.740 0.029 0.000 0.190 362 N C 1.929 177.544 175.510 0.176 0.000 1.043 362 N CA 0.445 53.688 53.050 0.321 0.000 0.879 362 N CB -0.251 38.349 38.487 0.188 0.000 1.210 362 N HN 0.381 nan 8.380 nan 0.000 0.437 363 R N 1.571 122.035 120.500 -0.060 0.000 2.113 363 R HA -0.128 4.230 4.340 0.029 0.000 0.244 363 R C 2.086 178.216 176.300 -0.283 0.000 1.142 363 R CA 1.338 57.191 56.100 -0.411 0.000 0.953 363 R CB -1.017 28.674 30.300 -1.015 0.000 0.860 363 R HN 0.096 nan 8.270 nan 0.000 0.438 364 L N 0.926 122.014 121.223 -0.223 0.000 1.997 364 L HA -0.166 4.191 4.340 0.029 0.000 0.216 364 L C 2.066 178.733 176.870 -0.337 0.000 1.074 364 L CA 1.817 56.460 54.840 -0.329 0.000 0.763 364 L CB -0.780 40.943 42.059 -0.560 0.000 0.890 364 L HN 0.358 nan 8.230 nan 0.000 0.434 365 W N -0.706 120.696 121.300 0.169 0.000 2.392 365 W HA -0.109 4.571 4.660 0.033 0.000 0.279 365 W C 2.385 178.975 176.519 0.119 0.000 1.225 365 W CA 1.044 58.480 57.345 0.151 0.000 1.233 365 W CB -1.226 28.325 29.460 0.153 0.000 1.122 365 W HN 0.082 nan 8.180 nan 0.000 0.561 366 T N 1.213 115.906 114.554 0.233 0.000 2.821 366 T HA -0.186 4.181 4.350 0.029 0.000 0.267 366 T C 1.744 176.471 174.700 0.045 0.000 1.046 366 T CA 1.283 63.482 62.100 0.166 0.000 1.139 366 T CB -0.490 68.474 68.868 0.159 0.000 0.871 366 T HN 0.013 nan 8.240 nan 0.000 0.454 367 L N 0.554 121.801 121.223 0.039 0.000 2.156 367 L HA 0.139 4.496 4.340 0.029 0.000 0.208 367 L C 2.058 178.873 176.870 -0.091 0.000 1.095 367 L CA 1.511 56.300 54.840 -0.085 0.000 0.770 367 L CB -0.615 41.422 42.059 -0.036 0.000 0.914 367 L HN 0.115 nan 8.230 nan 0.000 0.439 368 M N -0.844 118.772 119.600 0.026 0.000 2.200 368 M HA 0.148 4.646 4.480 0.029 0.000 0.265 368 M C 1.922 178.315 176.300 0.155 0.000 1.066 368 M CA 1.240 56.594 55.300 0.091 0.000 1.127 368 M CB -1.455 31.280 32.600 0.225 0.000 1.379 368 M HN 0.479 nan 8.290 nan 0.000 0.420 369 G N 0.292 109.228 108.800 0.227 0.000 2.234 369 G HA2 -0.242 3.736 3.960 0.029 0.000 0.235 369 G HA3 -0.242 3.736 3.960 0.029 0.000 0.235 369 G C 0.146 175.333 174.900 0.480 0.000 0.997 369 G CA 0.277 45.609 45.100 0.387 0.000 0.623 369 G HN 0.480 nan 8.290 nan 0.000 0.514 370 N N 2.720 121.679 118.700 0.431 0.000 2.329 370 N HA 0.390 5.147 4.740 0.029 0.000 0.237 370 N C -2.074 173.529 175.510 0.155 0.000 1.258 370 N CA 0.125 53.340 53.050 0.274 0.000 0.866 370 N CB 0.504 39.145 38.487 0.256 0.000 1.102 370 N HN 0.303 nan 8.380 nan 0.000 0.440 371 P HA 0.165 nan 4.420 nan 0.000 0.276 371 P C -0.776 176.528 177.300 0.006 0.000 1.230 371 P CA -0.234 62.876 63.100 0.016 0.000 0.776 371 P CB 0.526 32.214 31.700 -0.021 0.000 0.888 372 C N 3.017 122.322 119.300 0.008 0.000 2.507 372 C HA 0.660 5.137 4.460 0.029 0.000 0.319 372 C C -0.023 174.941 174.990 -0.044 0.000 1.208 372 C CA -0.459 58.540 59.018 -0.032 0.000 1.619 372 C CB 1.705 29.444 27.740 -0.001 0.000 2.230 372 C HN 0.357 nan 8.230 nan 0.000 0.492 373 V N 3.111 122.991 119.914 -0.057 0.000 2.638 373 V HA 0.449 4.586 4.120 0.029 0.000 0.306 373 V C -0.407 175.657 176.094 -0.051 0.000 1.052 373 V CA -0.525 61.742 62.300 -0.054 0.000 0.885 373 V CB 1.788 33.594 31.823 -0.029 0.000 0.999 373 V HN 0.894 nan 8.190 nan 0.000 0.424 374 N N 3.120 121.788 118.700 -0.052 0.000 2.434 374 N HA 0.389 5.146 4.740 0.029 0.000 0.272 374 N C -1.255 174.243 175.510 -0.021 0.000 1.040 374 N CA -0.134 52.898 53.050 -0.030 0.000 0.956 374 N CB 1.883 40.359 38.487 -0.017 0.000 1.108 374 N HN 0.442 nan 8.380 nan 0.000 0.481 375 V N 5.856 125.762 119.914 -0.014 0.000 2.313 375 V HA 0.325 4.462 4.120 0.029 0.000 0.278 375 V C -2.141 173.948 176.094 -0.008 0.000 1.017 375 V CA -1.807 60.486 62.300 -0.011 0.000 0.823 375 V CB 1.379 33.197 31.823 -0.007 0.000 1.010 375 V HN 0.657 nan 8.190 nan 0.000 0.443 376 P HA 0.097 nan 4.420 nan 0.000 0.264 376 P C 0.410 177.699 177.300 -0.017 0.000 1.193 376 P CA 0.473 63.568 63.100 -0.008 0.000 0.763 376 P CB 1.129 32.826 31.700 -0.005 0.000 0.810 377 V N 3.276 123.177 119.914 -0.020 0.000 2.840 377 V HA 0.189 4.326 4.120 0.029 0.000 0.234 377 V C 0.674 176.750 176.094 -0.029 0.000 1.159 377 V CA 1.065 63.350 62.300 -0.024 0.000 1.194 377 V CB -0.468 31.343 31.823 -0.020 0.000 0.971 377 V HN 0.424 nan 8.190 nan 0.000 0.494 378 L N -2.017 119.185 121.223 -0.034 0.000 2.656 378 L HA 0.728 5.085 4.340 0.029 0.000 0.252 378 L C -1.232 175.602 176.870 -0.060 0.000 1.129 378 L CA -1.072 53.744 54.840 -0.041 0.000 0.962 378 L CB 1.424 43.464 42.059 -0.031 0.000 1.565 378 L HN -0.065 nan 8.230 nan 0.000 0.389 379 K N -0.061 120.302 120.400 -0.063 0.000 2.468 379 K HA 0.802 5.140 4.320 0.029 0.000 0.252 379 K C -1.749 174.811 176.600 -0.067 0.000 0.932 379 K CA -0.801 55.435 56.287 -0.085 0.000 0.794 379 K CB 2.881 35.318 32.500 -0.105 0.000 1.241 379 K HN 0.411 nan 8.250 nan 0.000 0.428 380 V N 1.589 121.458 119.914 -0.074 0.000 2.378 380 V HA 0.439 4.577 4.120 0.029 0.000 0.288 380 V C 0.879 176.928 176.094 -0.075 0.000 1.016 380 V CA -0.308 61.955 62.300 -0.061 0.000 0.840 380 V CB 1.000 32.792 31.823 -0.051 0.000 0.994 380 V HN 1.064 nan 8.190 nan 0.000 0.431 381 G N 3.660 112.426 108.800 -0.057 0.000 2.249 381 G HA2 0.035 4.012 3.960 0.029 0.000 0.273 381 G HA3 0.035 4.012 3.960 0.029 0.000 0.273 381 G C 1.191 176.046 174.900 -0.074 0.000 1.036 381 G CA 0.810 45.876 45.100 -0.056 0.000 0.824 381 G HN 2.240 nan 8.290 nan 0.000 0.504 382 G N -2.305 106.452 108.800 -0.071 0.000 2.253 382 G HA2 -0.168 3.809 3.960 0.029 0.000 0.251 382 G HA3 -0.168 3.809 3.960 0.029 0.000 0.251 382 G C 0.339 175.168 174.900 -0.118 0.000 0.998 382 G CA 0.516 45.575 45.100 -0.067 0.000 0.621 382 G HN 1.273 nan 8.290 nan 0.000 0.524 383 L N 1.731 122.850 121.223 -0.172 0.000 2.276 383 L HA 0.470 4.827 4.340 0.029 0.000 0.286 383 L C -1.942 174.810 176.870 -0.197 0.000 1.061 383 L CA -2.109 52.599 54.840 -0.221 0.000 0.807 383 L CB 0.491 42.370 42.059 -0.299 0.000 1.177 383 L HN -0.089 nan 8.230 nan 0.000 0.429 384 P HA 0.231 nan 4.420 nan 0.000 0.269 384 P C -0.577 176.687 177.300 -0.060 0.000 1.215 384 P CA 0.017 63.001 63.100 -0.194 0.000 0.780 384 P CB 0.837 32.367 31.700 -0.284 0.000 0.898 385 I N 1.350 121.899 120.570 -0.035 0.000 2.569 385 I HA 0.504 4.691 4.170 0.029 0.000 0.290 385 I C 0.494 176.619 176.117 0.014 0.000 1.088 385 I CA -0.140 61.168 61.300 0.014 0.000 1.047 385 I CB 1.697 39.698 38.000 0.002 0.000 1.237 385 I HN 0.450 nan 8.210 nan 0.000 0.421 386 G N 4.652 113.474 108.800 0.036 0.000 2.816 386 G HA2 0.800 4.778 3.960 0.029 0.000 0.288 386 G HA3 0.800 4.778 3.960 0.029 0.000 0.288 386 G C -1.017 173.896 174.900 0.022 0.000 1.334 386 G CA -0.549 44.564 45.100 0.021 0.000 0.978 386 G HN 0.486 nan 8.290 nan 0.000 0.493 387 V N -2.672 117.240 119.914 -0.002 0.000 2.914 387 V HA 0.740 4.877 4.120 0.029 0.000 0.314 387 V C -0.600 175.471 176.094 -0.038 0.000 1.084 387 V CA -1.048 61.236 62.300 -0.026 0.000 0.963 387 V CB 1.717 33.508 31.823 -0.054 0.000 1.025 387 V HN 0.768 nan 8.190 nan 0.000 0.432 388 Q N 1.560 121.320 119.800 -0.066 0.000 2.314 388 Q HA 0.655 5.012 4.340 0.029 0.000 0.259 388 Q C -1.469 174.445 176.000 -0.144 0.000 0.951 388 Q CA -0.577 55.170 55.803 -0.092 0.000 0.909 388 Q CB 1.987 30.670 28.738 -0.092 0.000 1.236 388 Q HN 0.817 nan 8.270 nan 0.000 0.444 389 V N 6.415 126.259 119.914 -0.115 0.000 2.370 389 V HA 0.443 4.581 4.120 0.029 0.000 0.279 389 V C -0.235 175.776 176.094 -0.138 0.000 1.029 389 V CA -0.409 61.824 62.300 -0.112 0.000 0.870 389 V CB 1.221 33.015 31.823 -0.048 0.000 0.984 389 V HN 0.670 nan 8.190 nan 0.000 0.451 390 I N 4.242 124.711 120.570 -0.169 0.000 2.465 390 I HA 0.802 4.989 4.170 0.029 0.000 0.291 390 I C 0.250 176.378 176.117 0.018 0.000 1.014 390 I CA -0.439 60.776 61.300 -0.142 0.000 1.093 390 I CB 1.941 39.721 38.000 -0.365 0.000 1.267 390 I HN 0.653 nan 8.210 nan 0.000 0.431 391 A N 5.831 128.623 122.820 -0.048 0.000 2.312 391 A HA 0.693 5.030 4.320 0.029 0.000 0.310 391 A C -0.146 177.091 177.584 -0.579 0.000 1.139 391 A CA -0.756 51.182 52.037 -0.166 0.000 0.886 391 A CB 1.133 20.042 19.000 -0.151 0.000 1.350 391 A HN 0.781 nan 8.150 nan 0.000 0.479 392 R N -0.361 119.568 120.500 -0.952 0.000 2.734 392 R HA 0.110 4.468 4.340 0.029 0.000 0.266 392 R C -0.627 175.478 176.300 -0.325 0.000 1.044 392 R CA -0.170 55.346 56.100 -0.974 0.000 1.128 392 R CB 0.065 30.005 30.300 -0.601 0.000 1.010 392 R HN 0.604 nan 8.270 nan 0.000 0.461 393 F N 2.924 122.723 119.950 -0.252 0.000 2.608 393 F HA 0.136 4.678 4.527 0.025 0.000 0.380 393 F C 1.264 177.032 175.800 -0.053 0.000 1.083 393 F CA 1.956 59.911 58.000 -0.075 0.000 1.266 393 F CB 0.517 39.515 39.000 -0.003 0.000 1.076 393 F HN 0.843 nan 8.300 nan 0.000 0.574 394 G N 3.963 112.317 108.800 -0.743 0.000 2.176 394 G HA2 -0.309 3.669 3.960 0.029 0.000 0.253 394 G HA3 -0.309 3.669 3.960 0.029 0.000 0.253 394 G C 0.220 174.982 174.900 -0.231 0.000 0.979 394 G CA 0.153 44.974 45.100 -0.467 0.000 0.641 394 G HN 0.676 nan 8.290 nan 0.000 0.530 395 N N 0.984 119.571 118.700 -0.187 0.000 2.806 395 N HA 0.286 5.043 4.740 0.029 0.000 0.315 395 N C 0.187 175.660 175.510 -0.062 0.000 1.738 395 N CA 0.145 53.131 53.050 -0.107 0.000 0.993 395 N CB 0.690 39.139 38.487 -0.064 0.000 1.324 395 N HN 0.260 nan 8.380 nan 0.000 0.493 396 D N 1.085 121.452 120.400 -0.055 0.000 2.178 396 D HA -0.099 4.558 4.640 0.029 0.000 0.201 396 D C 1.990 178.368 176.300 0.129 0.000 0.980 396 D CA 0.828 54.867 54.000 0.064 0.000 0.842 396 D CB 0.226 41.151 40.800 0.208 0.000 0.948 396 D HN 0.366 nan 8.370 nan 0.000 0.472 397 A N 0.096 122.930 122.820 0.024 0.000 1.883 397 A HA -0.268 4.069 4.320 0.029 0.000 0.217 397 A C 2.015 179.684 177.584 0.142 0.000 1.186 397 A CA 1.753 53.818 52.037 0.046 0.000 0.624 397 A CB -1.022 17.890 19.000 -0.146 0.000 0.822 397 A HN 0.460 nan 8.150 nan 0.000 0.444 398 H N -0.950 118.111 119.070 -0.015 0.000 2.457 398 H HA 0.055 4.605 4.556 -0.009 0.000 0.294 398 H C 2.260 177.607 175.328 0.031 0.000 1.064 398 H CA 0.678 56.725 56.048 -0.001 0.000 1.330 398 H CB 0.061 29.805 29.762 -0.030 0.000 1.395 398 H HN 0.503 nan 8.280 nan 0.000 0.541 399 A N 0.759 123.629 122.820 0.084 0.000 1.873 399 A HA -0.114 4.224 4.320 0.029 0.000 0.215 399 A C 2.388 180.022 177.584 0.083 0.000 1.186 399 A CA 1.045 53.091 52.037 0.016 0.000 0.616 399 A CB -0.662 18.342 19.000 0.006 0.000 0.823 399 A HN 0.397 nan 8.150 nan 0.000 0.442 400 L N -0.786 120.523 121.223 0.143 0.000 2.093 400 L HA -0.123 4.234 4.340 0.029 0.000 0.208 400 L C 3.051 180.092 176.870 0.285 0.000 1.085 400 L CA 0.878 55.828 54.840 0.183 0.000 0.755 400 L CB -0.515 41.666 42.059 0.203 0.000 0.904 400 L HN 0.420 nan 8.230 nan 0.000 0.435 401 A N -0.192 122.800 122.820 0.287 0.000 1.877 401 A HA -0.197 4.140 4.320 0.029 0.000 0.216 401 A C 2.388 180.154 177.584 0.303 0.000 1.186 401 A CA 2.403 54.623 52.037 0.304 0.000 0.620 401 A CB -0.958 18.181 19.000 0.232 0.000 0.822 401 A HN 0.367 nan 8.150 nan 0.000 0.443 402 T N 0.267 114.959 114.554 0.231 0.000 2.821 402 T HA 0.044 4.412 4.350 0.029 0.000 0.267 402 T C 2.187 177.058 174.700 0.285 0.000 1.046 402 T CA 1.375 63.598 62.100 0.205 0.000 1.139 402 T CB -0.412 68.457 68.868 0.001 0.000 0.871 402 T HN 0.584 nan 8.240 nan 0.000 0.454 403 A N 0.958 123.902 122.820 0.207 0.000 1.933 403 A HA -0.113 4.224 4.320 0.029 0.000 0.218 403 A C 2.088 179.816 177.584 0.240 0.000 1.175 403 A CA 1.201 53.337 52.037 0.166 0.000 0.628 403 A CB -0.867 18.191 19.000 0.097 0.000 0.814 403 A HN 0.645 nan 8.150 nan 0.000 0.444 404 W N 0.091 121.446 121.300 0.091 0.000 2.378 404 W HA -0.166 4.512 4.660 0.031 0.000 0.313 404 W C 1.942 178.510 176.519 0.081 0.000 1.197 404 W CA 1.266 58.656 57.345 0.075 0.000 1.304 404 W CB -1.206 28.306 29.460 0.088 0.000 1.148 404 W HN 0.446 nan 8.180 nan 0.000 0.494 405 F N 1.240 121.333 119.950 0.239 0.000 2.091 405 F HA -0.282 4.281 4.527 0.060 0.000 0.299 405 F C 2.364 178.224 175.800 0.101 0.000 1.103 405 F CA 2.565 60.618 58.000 0.089 0.000 1.228 405 F CB -1.065 37.959 39.000 0.039 0.000 0.984 405 F HN -0.098 nan 8.300 nan 0.000 0.477 406 L N 0.270 121.463 121.223 -0.050 0.000 2.083 406 L HA -0.206 4.151 4.340 0.029 0.000 0.209 406 L C 2.363 179.147 176.870 -0.143 0.000 1.083 406 L CA 1.828 56.554 54.840 -0.189 0.000 0.752 406 L CB -0.549 41.535 42.059 0.042 0.000 0.899 406 L HN 0.270 nan 8.230 nan 0.000 0.433 407 E N -0.181 120.017 120.200 -0.004 0.000 2.058 407 E HA -0.246 4.121 4.350 0.029 0.000 0.194 407 E C 1.708 178.299 176.600 -0.014 0.000 0.997 407 E CA 1.545 57.949 56.400 0.007 0.000 0.801 407 E CB -0.129 29.598 29.700 0.046 0.000 0.746 407 E HN 0.584 nan 8.360 nan 0.000 0.450 408 D N 0.566 120.971 120.400 0.010 0.000 2.144 408 D HA -0.104 4.553 4.640 0.029 0.000 0.200 408 D C 1.912 178.133 176.300 -0.131 0.000 0.978 408 D CA 1.125 55.113 54.000 -0.020 0.000 0.833 408 D CB -0.266 40.543 40.800 0.016 0.000 0.961 408 D HN 0.149 nan 8.370 nan 0.000 0.470 409 A N 1.058 123.702 122.820 -0.293 0.000 1.883 409 A HA -0.150 4.187 4.320 0.029 0.000 0.217 409 A C 2.384 179.868 177.584 -0.167 0.000 1.186 409 A CA 1.034 52.879 52.037 -0.320 0.000 0.624 409 A CB -0.893 17.775 19.000 -0.554 0.000 0.822 409 A HN 0.209 nan 8.150 nan 0.000 0.444 410 L N -0.833 120.309 121.223 -0.134 0.000 2.131 410 L HA -0.144 4.214 4.340 0.029 0.000 0.210 410 L C 2.725 179.562 176.870 -0.055 0.000 1.092 410 L CA 0.797 55.590 54.840 -0.079 0.000 0.759 410 L CB -0.389 41.633 42.059 -0.061 0.000 0.903 410 L HN 0.432 nan 8.230 nan 0.000 0.435 411 A N -0.840 121.950 122.820 -0.050 0.000 2.255 411 A HA -0.005 4.333 4.320 0.029 0.000 0.206 411 A C 0.613 178.180 177.584 -0.028 0.000 1.193 411 A CA 0.205 52.225 52.037 -0.028 0.000 0.794 411 A CB -0.261 18.733 19.000 -0.011 0.000 0.794 411 A HN 0.311 nan 8.150 nan 0.000 0.481 412 K N 0.000 120.374 120.400 -0.043 0.000 2.780 412 K HA 0.000 4.337 4.320 0.029 0.000 0.191 412 K CA 0.000 56.266 56.287 -0.036 0.000 0.838 412 K CB 0.000 32.486 32.500 -0.023 0.000 1.064 412 K HN 0.000 nan 8.250 nan 0.000 0.543