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 2dqb_1_D DATA FIRST_RESID 2 DATA SEQUENCE RFSREALLEL EASRLAPYAQ KARDTRGRAH PEPESLYRTP YQKDRDRILH DATA SEQUENCE TTAFRRLEYK TQVLPXXXXD YYRTRLTHTL EVAQVSRSIA RALGLNEDLT DATA SEQUENCE EAIALSHDLG HPPFGHTGEH VLNALXQDHG GFEHNAQALR ILTHLEVRYP DATA SEQUENCE GFRGLNLTYE VLEGIATHXX XXXXXXXXXY EGQGTLEAQV VDLSDAIAYA DATA SEQUENCE AHDLDDGFRA GLLHPEELKE VELLQALALE EGLDLLRLPE LDRRVLVRQL DATA SEQUENCE LGYFITAAIE ATHRRVEEAG VQSAEAVRRH PSRLAALGEE AEKALKALKA DATA SEQUENCE FLXERFYRHP EVLRERRKAE AVLEGLFAAY TRYPELLPRE VQAKIPEEGL DATA SEQUENCE ERAVCDYIAG XTDRFALEAY RRLSP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.238 176.300 -0.104 0.000 0.893 2 R CA 0.000 56.093 56.100 -0.011 0.000 0.921 2 R CB 0.000 30.338 30.300 0.063 0.000 0.687 3 F N 2.481 122.496 119.950 0.108 0.000 2.368 3 F HA 0.225 4.753 4.527 0.002 0.000 0.362 3 F C 1.322 177.230 175.800 0.180 0.000 1.137 3 F CA -0.342 57.723 58.000 0.108 0.000 1.161 3 F CB 1.069 40.109 39.000 0.068 0.000 1.265 3 F HN 0.394 nan 8.300 nan 0.000 0.530 4 S N 3.110 118.935 115.700 0.208 0.000 2.606 4 S HA 0.169 4.641 4.470 0.002 0.000 0.257 4 S C 1.504 176.172 174.600 0.114 0.000 1.327 4 S CA -0.597 57.669 58.200 0.110 0.000 0.984 4 S CB 0.838 64.030 63.200 -0.014 0.000 0.941 4 S HN 0.732 nan 8.310 nan 0.000 0.576 5 R N 0.738 121.258 120.500 0.033 0.000 2.096 5 R HA -0.004 4.337 4.340 0.002 0.000 0.235 5 R C 1.665 177.979 176.300 0.024 0.000 1.127 5 R CA 1.454 57.574 56.100 0.033 0.000 0.968 5 R CB -0.783 29.509 30.300 -0.013 0.000 0.861 5 R HN 0.631 nan 8.270 nan 0.000 0.440 6 E N 1.103 121.306 120.200 0.005 0.000 2.118 6 E HA -0.144 4.208 4.350 0.002 0.000 0.195 6 E C 2.061 178.679 176.600 0.031 0.000 0.992 6 E CA 1.618 58.020 56.400 0.003 0.000 0.804 6 E CB -0.300 29.393 29.700 -0.012 0.000 0.741 6 E HN 0.539 nan 8.360 nan 0.000 0.458 7 A N 1.067 123.925 122.820 0.064 0.000 1.872 7 A HA -0.070 4.251 4.320 0.002 0.000 0.214 7 A C 2.393 180.062 177.584 0.142 0.000 1.187 7 A CA 0.743 52.847 52.037 0.112 0.000 0.614 7 A CB -0.633 18.458 19.000 0.152 0.000 0.826 7 A HN 0.155 nan 8.150 nan 0.000 0.442 8 L N -0.345 120.965 121.223 0.146 0.000 2.012 8 L HA -0.220 4.121 4.340 0.002 0.000 0.210 8 L C 2.609 179.508 176.870 0.048 0.000 1.073 8 L CA 1.248 56.146 54.840 0.097 0.000 0.748 8 L CB -0.698 41.410 42.059 0.082 0.000 0.891 8 L HN 0.392 nan 8.230 nan 0.000 0.431 9 L N -0.806 120.435 121.223 0.029 0.000 2.012 9 L HA -0.210 4.131 4.340 0.002 0.000 0.210 9 L C 2.779 179.657 176.870 0.014 0.000 1.073 9 L CA 1.148 55.991 54.840 0.005 0.000 0.748 9 L CB -0.648 41.402 42.059 -0.016 0.000 0.891 9 L HN 0.287 nan 8.230 nan 0.000 0.431 10 E N 0.482 120.696 120.200 0.024 0.000 2.051 10 E HA -0.233 4.119 4.350 0.002 0.000 0.192 10 E C 2.151 178.769 176.600 0.029 0.000 0.991 10 E CA 1.295 57.709 56.400 0.024 0.000 0.799 10 E CB -0.250 29.468 29.700 0.029 0.000 0.748 10 E HN 0.267 nan 8.360 nan 0.000 0.449 11 L N 1.637 122.888 121.223 0.046 0.000 2.017 11 L HA -0.169 4.172 4.340 0.002 0.000 0.208 11 L C 2.394 179.273 176.870 0.015 0.000 1.073 11 L CA 2.298 57.162 54.840 0.039 0.000 0.745 11 L CB -0.599 41.492 42.059 0.053 0.000 0.894 11 L HN 0.148 nan 8.230 nan 0.000 0.432 12 E N 0.046 120.254 120.200 0.013 0.000 2.147 12 E HA -0.181 4.170 4.350 0.002 0.000 0.199 12 E C 1.012 177.613 176.600 0.002 0.000 1.005 12 E CA 0.801 57.206 56.400 0.008 0.000 0.810 12 E CB -0.174 29.537 29.700 0.019 0.000 0.736 12 E HN 0.611 nan 8.360 nan 0.000 0.460 13 A N -0.271 122.551 122.820 0.004 0.000 2.313 13 A HA 0.329 4.650 4.320 0.002 0.000 0.261 13 A C 1.032 178.611 177.584 -0.009 0.000 1.090 13 A CA 0.628 52.663 52.037 -0.004 0.000 0.807 13 A CB 0.444 19.443 19.000 -0.001 0.000 1.055 13 A HN 0.689 nan 8.150 nan 0.000 0.492 14 S N -1.353 114.337 115.700 -0.018 0.000 2.025 14 S HA -0.354 4.117 4.470 0.002 0.000 0.231 14 S C 1.579 176.164 174.600 -0.025 0.000 1.075 14 S CA 2.585 60.774 58.200 -0.018 0.000 1.586 14 S CB -2.040 61.156 63.200 -0.006 0.000 2.055 14 S HN 2.294 nan 8.310 nan 0.000 0.569 15 R N 1.608 122.094 120.500 -0.024 0.000 2.066 15 R HA 0.673 5.014 4.340 0.002 0.000 0.224 15 R C 1.632 177.905 176.300 -0.046 0.000 1.122 15 R CA 1.309 57.392 56.100 -0.028 0.000 0.974 15 R CB -1.052 29.236 30.300 -0.020 0.000 0.871 15 R HN 0.737 nan 8.270 nan 0.000 0.435 16 L N 0.727 121.919 121.223 -0.053 0.000 2.466 16 L HA 0.535 4.876 4.340 0.002 0.000 0.257 16 L C 1.060 177.839 176.870 -0.152 0.000 1.189 16 L CA -0.598 54.192 54.840 -0.084 0.000 0.813 16 L CB 0.987 43.008 42.059 -0.062 0.000 1.118 16 L HN 0.500 nan 8.230 nan 0.000 0.471 17 A N 1.827 124.490 122.820 -0.263 0.000 2.448 17 A HA 0.246 4.567 4.320 0.002 0.000 0.239 17 A C -1.668 175.632 177.584 -0.473 0.000 1.080 17 A CA -0.876 50.867 52.037 -0.488 0.000 0.779 17 A CB -0.284 18.112 19.000 -1.007 0.000 1.026 17 A HN 0.630 nan 8.150 nan 0.000 0.499 18 P HA -0.142 nan 4.420 nan 0.000 0.218 18 P C 0.628 177.844 177.300 -0.140 0.000 1.149 18 P CA 1.669 64.653 63.100 -0.193 0.000 0.817 18 P CB -0.143 31.509 31.700 -0.080 0.000 0.785 19 Y N -1.861 118.444 120.300 0.007 0.000 2.529 19 Y HA 0.535 5.086 4.550 0.002 0.000 0.290 19 Y C 0.855 176.759 175.900 0.006 0.000 1.177 19 Y CA -1.309 56.792 58.100 0.002 0.000 1.305 19 Y CB -1.448 37.005 38.460 -0.012 0.000 1.047 19 Y HN -0.187 nan 8.280 nan 0.000 0.522 20 A N 1.146 123.916 122.820 -0.084 0.000 2.322 20 A HA 0.367 4.688 4.320 0.002 0.000 0.269 20 A C -0.200 177.403 177.584 0.031 0.000 1.094 20 A CA -0.670 51.370 52.037 0.004 0.000 0.807 20 A CB 0.415 19.362 19.000 -0.088 0.000 1.047 20 A HN 0.443 nan 8.150 nan 0.000 0.487 21 Q N 0.855 120.688 119.800 0.056 0.000 2.295 21 Q HA 0.394 4.735 4.340 0.002 0.000 0.259 21 Q C -0.932 175.145 176.000 0.127 0.000 0.976 21 Q CA 0.248 56.102 55.803 0.084 0.000 0.923 21 Q CB 0.398 29.178 28.738 0.071 0.000 1.185 21 Q HN 0.440 nan 8.270 nan 0.000 0.410 22 K N 2.745 123.213 120.400 0.114 0.000 2.172 22 K HA 0.452 4.773 4.320 0.002 0.000 0.276 22 K C 0.410 177.095 176.600 0.142 0.000 1.013 22 K CA 0.312 56.664 56.287 0.108 0.000 0.913 22 K CB 1.436 33.962 32.500 0.045 0.000 1.055 22 K HN 0.714 nan 8.250 nan 0.000 0.461 23 A N 3.118 125.995 122.820 0.095 0.000 2.015 23 A HA -0.130 4.192 4.320 0.002 0.000 0.219 23 A C 1.945 179.444 177.584 -0.142 0.000 1.163 23 A CA 1.347 53.270 52.037 -0.190 0.000 0.646 23 A CB -0.295 18.398 19.000 -0.512 0.000 0.806 23 A HN 0.744 nan 8.150 nan 0.000 0.448 24 R N -0.232 120.231 120.500 -0.062 0.000 2.285 24 R HA -0.093 4.248 4.340 0.002 0.000 0.213 24 R C 0.058 176.339 176.300 -0.030 0.000 1.068 24 R CA 1.288 57.358 56.100 -0.050 0.000 1.004 24 R CB -0.036 30.247 30.300 -0.028 0.000 0.873 24 R HN 0.371 nan 8.270 nan 0.000 0.467 25 D N -0.207 120.190 120.400 -0.004 0.000 2.342 25 D HA -0.012 4.629 4.640 0.002 0.000 0.221 25 D C 0.093 176.402 176.300 0.015 0.000 1.101 25 D CA 0.243 54.247 54.000 0.007 0.000 0.837 25 D CB 0.422 41.237 40.800 0.026 0.000 0.938 25 D HN 0.042 nan 8.370 nan 0.000 0.508 26 T N 0.191 114.750 114.554 0.008 0.000 2.939 26 T HA -0.029 4.322 4.350 0.002 0.000 0.319 26 T C 1.359 176.058 174.700 -0.002 0.000 1.082 26 T CA 0.150 62.272 62.100 0.037 0.000 1.133 26 T CB 0.752 69.608 68.868 -0.020 0.000 1.019 26 T HN 0.008 nan 8.240 nan 0.000 0.548 27 R N 1.982 122.478 120.500 -0.006 0.000 2.299 27 R HA 0.255 4.597 4.340 0.002 0.000 0.197 27 R C 1.354 177.635 176.300 -0.031 0.000 0.971 27 R CA 0.488 56.527 56.100 -0.102 0.000 1.030 27 R CB -0.269 29.805 30.300 -0.376 0.000 0.932 27 R HN 0.990 nan 8.270 nan 0.000 0.477 28 G N 0.928 109.741 108.800 0.023 0.000 2.610 28 G HA2 -0.236 3.725 3.960 0.002 0.000 0.304 28 G HA3 -0.236 3.725 3.960 0.002 0.000 0.304 28 G C -1.082 173.840 174.900 0.037 0.000 1.309 28 G CA -0.897 44.209 45.100 0.010 0.000 0.906 28 G HN 0.234 nan 8.290 nan 0.000 0.521 29 R N -0.134 120.357 120.500 -0.015 0.000 2.732 29 R HA 0.693 5.035 4.340 0.002 0.000 0.278 29 R C 1.521 177.759 176.300 -0.103 0.000 0.976 29 R CA -0.257 55.814 56.100 -0.049 0.000 0.963 29 R CB 1.549 31.795 30.300 -0.089 0.000 1.150 29 R HN 1.041 nan 8.270 nan 0.000 0.478 30 A N 1.754 124.467 122.820 -0.177 0.000 1.917 30 A HA -0.141 4.181 4.320 0.002 0.000 0.219 30 A C 0.206 177.494 177.584 -0.493 0.000 1.182 30 A CA 1.370 53.194 52.037 -0.354 0.000 0.633 30 A CB -0.578 18.113 19.000 -0.515 0.000 0.819 30 A HN 0.711 nan 8.150 nan 0.000 0.448 31 H N -1.113 117.846 119.070 -0.184 0.000 2.529 31 H HA 0.500 5.057 4.556 0.002 0.000 0.348 31 H C -2.564 172.686 175.328 -0.130 0.000 1.152 31 H CA -2.047 53.902 56.048 -0.165 0.000 1.202 31 H CB 0.974 30.567 29.762 -0.282 0.000 1.562 31 H HN 0.182 nan 8.280 nan 0.000 0.515 32 P HA 0.139 nan 4.420 nan 0.000 0.278 32 P C -0.965 176.378 177.300 0.072 0.000 1.238 32 P CA -0.451 62.676 63.100 0.046 0.000 0.794 32 P CB 1.467 33.197 31.700 0.050 0.000 0.955 33 E N 1.665 121.893 120.200 0.046 0.000 2.388 33 E HA 0.431 4.782 4.350 0.002 0.000 0.282 33 E C -2.829 173.791 176.600 0.033 0.000 1.026 33 E CA -1.804 54.635 56.400 0.066 0.000 0.820 33 E CB 0.473 30.223 29.700 0.084 0.000 1.226 33 E HN 0.219 nan 8.360 nan 0.000 0.432 34 P HA 0.099 nan 4.420 nan 0.000 0.271 34 P C -0.661 176.640 177.300 0.002 0.000 1.244 34 P CA -0.142 62.967 63.100 0.014 0.000 0.793 34 P CB 0.548 32.258 31.700 0.015 0.000 0.984 35 E N -0.323 119.869 120.200 -0.014 0.000 2.314 35 E HA 0.337 4.688 4.350 0.002 0.000 0.262 35 E C 0.347 176.930 176.600 -0.029 0.000 1.093 35 E CA -0.469 55.915 56.400 -0.027 0.000 0.908 35 E CB 0.227 29.904 29.700 -0.039 0.000 1.091 35 E HN 0.359 nan 8.360 nan 0.000 0.425 36 S N 0.436 116.118 115.700 -0.030 0.000 2.614 36 S HA 0.187 4.659 4.470 0.002 0.000 0.265 36 S C 0.972 175.514 174.600 -0.097 0.000 1.303 36 S CA -0.455 57.728 58.200 -0.029 0.000 1.000 36 S CB 0.277 63.481 63.200 0.007 0.000 0.935 36 S HN 0.547 nan 8.310 nan 0.000 0.551 37 L N 1.430 122.548 121.223 -0.175 0.000 2.102 37 L HA 0.066 4.407 4.340 0.002 0.000 0.202 37 L C 1.223 177.765 176.870 -0.547 0.000 1.076 37 L CA 1.138 55.701 54.840 -0.461 0.000 0.761 37 L CB -0.241 41.356 42.059 -0.769 0.000 0.921 37 L HN 0.830 nan 8.230 nan 0.000 0.444 38 Y N -1.614 118.705 120.300 0.032 0.000 2.607 38 Y HA 0.217 4.768 4.550 0.002 0.000 0.276 38 Y C 0.958 176.880 175.900 0.037 0.000 1.117 38 Y CA -0.687 57.440 58.100 0.045 0.000 1.273 38 Y CB 0.149 38.641 38.460 0.054 0.000 1.282 38 Y HN -0.142 nan 8.280 nan 0.000 0.514 39 R N 1.550 122.155 120.500 0.174 0.000 2.543 39 R HA 0.226 4.567 4.340 0.002 0.000 0.277 39 R C 0.460 176.782 176.300 0.037 0.000 1.074 39 R CA 0.198 56.358 56.100 0.100 0.000 1.076 39 R CB 0.526 30.880 30.300 0.090 0.000 0.993 39 R HN 0.161 nan 8.270 nan 0.000 0.459 40 T N -0.361 114.201 114.554 0.014 0.000 2.847 40 T HA 0.194 4.546 4.350 0.002 0.000 0.279 40 T C -1.787 172.855 174.700 -0.096 0.000 0.984 40 T CA -1.878 60.192 62.100 -0.051 0.000 0.988 40 T CB 1.341 70.174 68.868 -0.058 0.000 1.040 40 T HN 0.211 nan 8.240 nan 0.000 0.528 41 P HA -0.132 nan 4.420 nan 0.000 0.216 41 P C 0.922 178.122 177.300 -0.167 0.000 1.157 41 P CA 1.408 64.354 63.100 -0.257 0.000 0.880 41 P CB -0.185 31.248 31.700 -0.445 0.000 0.791 42 Y N -0.781 119.520 120.300 0.002 0.000 2.293 42 Y HA -0.106 4.445 4.550 0.002 0.000 0.291 42 Y C 2.711 178.606 175.900 -0.008 0.000 1.137 42 Y CA 0.569 58.665 58.100 -0.006 0.000 1.202 42 Y CB -1.520 36.935 38.460 -0.008 0.000 0.990 42 Y HN 0.075 nan 8.280 nan 0.000 0.537 43 Q N 0.638 120.507 119.800 0.114 0.000 2.050 43 Q HA -0.236 4.106 4.340 0.002 0.000 0.202 43 Q C 2.317 178.351 176.000 0.057 0.000 0.980 43 Q CA 1.934 57.779 55.803 0.071 0.000 0.840 43 Q CB -0.064 28.705 28.738 0.051 0.000 0.898 43 Q HN 0.407 nan 8.270 nan 0.000 0.424 44 K N -0.158 120.272 120.400 0.050 0.000 2.057 44 K HA -0.175 4.146 4.320 0.002 0.000 0.206 44 K C 1.432 178.066 176.600 0.057 0.000 1.050 44 K CA 1.722 58.042 56.287 0.054 0.000 0.935 44 K CB 0.082 32.603 32.500 0.035 0.000 0.715 44 K HN 0.207 nan 8.250 nan 0.000 0.439 45 D N 0.145 120.584 120.400 0.065 0.000 2.104 45 D HA -0.131 4.510 4.640 0.002 0.000 0.194 45 D C 1.953 178.269 176.300 0.026 0.000 0.994 45 D CA 1.172 55.209 54.000 0.062 0.000 0.830 45 D CB -0.020 40.846 40.800 0.110 0.000 0.959 45 D HN 0.149 nan 8.370 nan 0.000 0.452 46 R N 0.416 120.928 120.500 0.020 0.000 2.096 46 R HA -0.139 4.202 4.340 0.002 0.000 0.240 46 R C 1.790 178.027 176.300 -0.104 0.000 1.139 46 R CA 1.401 57.474 56.100 -0.045 0.000 0.952 46 R CB -0.172 30.109 30.300 -0.031 0.000 0.854 46 R HN 0.227 nan 8.270 nan 0.000 0.436 47 D N -0.017 120.356 120.400 -0.045 0.000 2.092 47 D HA -0.156 4.485 4.640 0.002 0.000 0.193 47 D C 2.039 178.322 176.300 -0.029 0.000 0.994 47 D CA 1.267 55.242 54.000 -0.041 0.000 0.828 47 D CB -0.074 40.777 40.800 0.086 0.000 0.963 47 D HN 0.221 nan 8.370 nan 0.000 0.450 48 R N 0.213 120.756 120.500 0.072 0.000 2.073 48 R HA -0.060 4.282 4.340 0.002 0.000 0.234 48 R C 2.658 178.992 176.300 0.057 0.000 1.134 48 R CA 0.680 56.872 56.100 0.154 0.000 0.952 48 R CB -0.388 30.016 30.300 0.173 0.000 0.850 48 R HN 0.264 nan 8.270 nan 0.000 0.433 49 I N 0.920 121.471 120.570 -0.030 0.000 2.208 49 I HA -0.295 3.876 4.170 0.002 0.000 0.245 49 I C 2.436 178.400 176.117 -0.256 0.000 1.097 49 I CA 0.888 62.148 61.300 -0.067 0.000 1.363 49 I CB -0.276 37.680 38.000 -0.073 0.000 1.051 49 I HN 0.193 nan 8.210 nan 0.000 0.413 50 L N 0.529 121.438 121.223 -0.523 0.000 2.127 50 L HA -0.221 4.120 4.340 0.002 0.000 0.211 50 L C 1.922 178.444 176.870 -0.581 0.000 1.089 50 L CA 2.074 56.363 54.840 -0.918 0.000 0.757 50 L CB -1.148 40.386 42.059 -0.875 0.000 0.899 50 L HN 0.413 nan 8.230 nan 0.000 0.434 51 H N -0.415 118.608 119.070 -0.080 0.000 2.537 51 H HA 0.178 4.735 4.556 0.002 0.000 0.295 51 H C 0.616 175.983 175.328 0.065 0.000 1.054 51 H CA 0.157 56.212 56.048 0.012 0.000 1.156 51 H CB -0.386 29.383 29.762 0.012 0.000 1.468 51 H HN 0.302 nan 8.280 nan 0.000 0.551 52 T N -2.655 111.999 114.554 0.167 0.000 2.902 52 T HA 0.141 4.492 4.350 0.002 0.000 0.280 52 T C 1.522 176.330 174.700 0.181 0.000 0.992 52 T CA -0.526 61.678 62.100 0.174 0.000 1.015 52 T CB 1.778 70.751 68.868 0.174 0.000 1.044 52 T HN -0.038 nan 8.240 nan 0.000 0.520 53 T N 1.144 115.778 114.554 0.132 0.000 2.821 53 T HA 0.027 4.378 4.350 0.002 0.000 0.267 53 T C 2.370 177.138 174.700 0.113 0.000 1.046 53 T CA 1.130 63.294 62.100 0.107 0.000 1.139 53 T CB -0.692 68.212 68.868 0.059 0.000 0.871 53 T HN 0.788 nan 8.240 nan 0.000 0.454 54 A N 0.898 123.789 122.820 0.119 0.000 1.902 54 A HA -0.023 4.298 4.320 0.002 0.000 0.217 54 A C 1.981 179.628 177.584 0.105 0.000 1.181 54 A CA 1.209 53.307 52.037 0.100 0.000 0.623 54 A CB -0.938 18.125 19.000 0.105 0.000 0.818 54 A HN 0.488 nan 8.150 nan 0.000 0.443 55 F N 0.490 120.464 119.950 0.040 0.000 2.134 55 F HA -0.160 4.367 4.527 0.001 0.000 0.299 55 F C 2.448 178.265 175.800 0.028 0.000 1.097 55 F CA 1.686 59.701 58.000 0.025 0.000 1.264 55 F CB -0.043 38.963 39.000 0.010 0.000 1.001 55 F HN 0.045 nan 8.300 nan 0.000 0.479 56 R N 0.529 121.149 120.500 0.200 0.000 2.105 56 R HA -0.125 4.217 4.340 0.002 0.000 0.239 56 R C 2.238 178.588 176.300 0.084 0.000 1.135 56 R CA 1.426 57.614 56.100 0.147 0.000 0.967 56 R CB -0.874 29.544 30.300 0.197 0.000 0.861 56 R HN 0.316 nan 8.270 nan 0.000 0.442 57 R N 0.280 120.828 120.500 0.079 0.000 2.193 57 R HA -0.051 4.290 4.340 0.002 0.000 0.229 57 R C 2.008 178.300 176.300 -0.012 0.000 1.110 57 R CA 0.512 56.671 56.100 0.099 0.000 0.988 57 R CB -0.278 30.049 30.300 0.044 0.000 0.871 57 R HN 0.015 nan 8.270 nan 0.000 0.458 58 L N 1.065 122.193 121.223 -0.158 0.000 2.081 58 L HA -0.222 4.119 4.340 0.002 0.000 0.212 58 L C 2.083 178.801 176.870 -0.254 0.000 1.080 58 L CA 1.766 56.461 54.840 -0.242 0.000 0.754 58 L CB -0.875 40.916 42.059 -0.446 0.000 0.893 58 L HN 0.264 nan 8.230 nan 0.000 0.433 59 E N -1.666 118.330 120.200 -0.340 0.000 2.409 59 E HA -0.195 4.156 4.350 0.002 0.000 0.198 59 E C 0.527 176.709 176.600 -0.697 0.000 1.024 59 E CA 0.673 56.753 56.400 -0.534 0.000 0.861 59 E CB 0.122 29.415 29.700 -0.680 0.000 0.788 59 E HN 0.579 nan 8.360 nan 0.000 0.521 60 Y N -0.451 119.807 120.300 -0.069 0.000 2.719 60 Y HA 0.357 4.907 4.550 0.001 0.000 0.251 60 Y C -0.610 175.246 175.900 -0.073 0.000 1.159 60 Y CA -0.496 57.573 58.100 -0.052 0.000 1.166 60 Y CB 0.864 39.303 38.460 -0.036 0.000 1.219 60 Y HN -0.253 nan 8.280 nan 0.000 0.551 61 K N 1.562 121.952 120.400 -0.015 0.000 2.604 61 K HA 0.318 4.639 4.320 0.002 0.000 0.247 61 K C -0.260 176.296 176.600 -0.074 0.000 0.956 61 K CA -0.381 55.869 56.287 -0.061 0.000 0.896 61 K CB 1.692 34.143 32.500 -0.082 0.000 1.131 61 K HN 0.142 nan 8.250 nan 0.000 0.440 62 T N -0.300 114.226 114.554 -0.046 0.000 2.898 62 T HA 0.066 4.418 4.350 0.002 0.000 0.301 62 T C 0.304 174.961 174.700 -0.071 0.000 1.049 62 T CA -0.573 61.507 62.100 -0.032 0.000 1.095 62 T CB 1.218 70.094 68.868 0.014 0.000 0.976 62 T HN 0.397 nan 8.240 nan 0.000 0.539 63 Q N 1.969 121.731 119.800 -0.064 0.000 2.294 63 Q HA 0.462 4.803 4.340 0.002 0.000 0.257 63 Q C -0.601 175.380 176.000 -0.031 0.000 0.955 63 Q CA -0.233 55.493 55.803 -0.129 0.000 0.936 63 Q CB -0.081 28.550 28.738 -0.178 0.000 1.188 63 Q HN 0.811 nan 8.270 nan 0.000 0.420 64 V N 4.447 124.312 119.914 -0.083 0.000 3.619 64 V HA -0.259 3.862 4.120 0.002 0.000 0.515 64 V C -0.555 175.445 176.094 -0.157 0.000 0.682 64 V CA 0.665 62.897 62.300 -0.114 0.000 2.068 64 V CB -0.848 30.976 31.823 0.001 0.000 2.485 64 V HN 1.062 nan 8.190 nan 0.000 0.512 65 L N 4.684 125.756 121.223 -0.251 0.000 2.794 65 L HA -0.059 4.282 4.340 0.002 0.000 0.613 65 L C -1.644 175.053 176.870 -0.288 0.000 1.002 65 L CA 0.915 55.526 54.840 -0.382 0.000 1.323 65 L CB -0.335 41.260 42.059 -0.773 0.000 1.787 65 L HN 0.837 nan 8.230 nan 0.000 0.859 72 Y N 0.280 120.462 120.300 -0.196 0.000 2.471 72 Y HA 0.350 4.901 4.550 0.003 0.000 0.286 72 Y C -0.234 175.501 175.900 -0.275 0.000 1.188 72 Y CA -0.187 57.766 58.100 -0.246 0.000 1.286 72 Y CB -0.547 37.728 38.460 -0.308 0.000 1.072 72 Y HN -0.032 nan 8.280 nan 0.000 0.517 73 Y N 2.405 122.798 120.300 0.156 0.000 2.336 73 Y HA 0.287 4.838 4.550 0.002 0.000 0.335 73 Y C 0.887 176.832 175.900 0.076 0.000 1.046 73 Y CA -1.748 56.441 58.100 0.150 0.000 1.198 73 Y CB 0.494 39.033 38.460 0.131 0.000 1.182 73 Y HN 0.089 nan 8.280 nan 0.000 0.502 74 R N 0.762 121.383 120.500 0.201 0.000 2.582 74 R HA 0.441 4.782 4.340 0.002 0.000 0.271 74 R C -0.018 176.317 176.300 0.059 0.000 1.078 74 R CA -0.581 55.576 56.100 0.094 0.000 1.127 74 R CB 0.351 30.691 30.300 0.067 0.000 1.038 74 R HN 0.681 nan 8.270 nan 0.000 0.500 75 T N -0.754 113.797 114.554 -0.006 0.000 2.770 75 T HA 0.193 4.544 4.350 0.002 0.000 0.281 75 T C 1.107 175.764 174.700 -0.070 0.000 0.981 75 T CA -0.775 61.293 62.100 -0.053 0.000 0.955 75 T CB 0.934 69.736 68.868 -0.111 0.000 1.060 75 T HN 0.665 nan 8.240 nan 0.000 0.531 76 R N -0.599 119.833 120.500 -0.112 0.000 2.189 76 R HA 0.067 4.409 4.340 0.002 0.000 0.218 76 R C 2.130 178.359 176.300 -0.117 0.000 1.074 76 R CA 0.403 56.433 56.100 -0.117 0.000 0.991 76 R CB -0.512 29.693 30.300 -0.159 0.000 0.883 76 R HN 0.509 nan 8.270 nan 0.000 0.457 77 L N 0.549 121.661 121.223 -0.185 0.000 2.027 77 L HA -0.098 4.244 4.340 0.002 0.000 0.206 77 L C 1.815 178.600 176.870 -0.142 0.000 1.074 77 L CA 1.973 56.666 54.840 -0.245 0.000 0.745 77 L CB -0.749 41.134 42.059 -0.294 0.000 0.898 77 L HN -0.024 nan 8.230 nan 0.000 0.433 78 T N -1.311 113.179 114.554 -0.106 0.000 2.708 78 T HA -0.262 4.089 4.350 0.002 0.000 0.266 78 T C 1.781 176.422 174.700 -0.098 0.000 1.037 78 T CA 1.804 63.849 62.100 -0.091 0.000 1.146 78 T CB -0.495 68.327 68.868 -0.077 0.000 0.865 78 T HN 0.653 nan 8.240 nan 0.000 0.435 79 H N 0.977 119.960 119.070 -0.144 0.000 2.319 79 H HA -0.083 4.474 4.556 0.002 0.000 0.299 79 H C 2.228 177.512 175.328 -0.073 0.000 1.092 79 H CA 2.163 58.126 56.048 -0.142 0.000 1.302 79 H CB -0.624 29.014 29.762 -0.206 0.000 1.373 79 H HN 0.184 nan 8.280 nan 0.000 0.497 80 T N 0.832 115.302 114.554 -0.139 0.000 2.788 80 T HA -0.092 4.259 4.350 0.002 0.000 0.268 80 T C 2.175 176.838 174.700 -0.063 0.000 1.044 80 T CA 1.361 63.413 62.100 -0.080 0.000 1.139 80 T CB -0.223 68.640 68.868 -0.009 0.000 0.867 80 T HN 0.256 nan 8.240 nan 0.000 0.454 81 L N 0.476 121.660 121.223 -0.066 0.000 2.109 81 L HA -0.033 4.309 4.340 0.002 0.000 0.207 81 L C 2.612 179.439 176.870 -0.072 0.000 1.086 81 L CA 1.239 56.060 54.840 -0.032 0.000 0.760 81 L CB -0.500 41.544 42.059 -0.024 0.000 0.910 81 L HN 0.329 nan 8.230 nan 0.000 0.437 82 E N -0.263 119.851 120.200 -0.144 0.000 2.106 82 E HA -0.161 4.191 4.350 0.002 0.000 0.192 82 E C 2.271 178.821 176.600 -0.084 0.000 0.984 82 E CA 1.066 57.392 56.400 -0.122 0.000 0.806 82 E CB -0.059 29.496 29.700 -0.243 0.000 0.750 82 E HN 0.244 nan 8.360 nan 0.000 0.458 83 V N 1.481 121.281 119.914 -0.190 0.000 2.407 83 V HA -0.256 3.865 4.120 0.002 0.000 0.248 83 V C 2.315 178.367 176.094 -0.071 0.000 1.055 83 V CA 1.818 64.029 62.300 -0.148 0.000 1.049 83 V CB -0.651 31.055 31.823 -0.195 0.000 0.662 83 V HN 0.319 nan 8.190 nan 0.000 0.455 84 A N -1.084 121.709 122.820 -0.045 0.000 1.969 84 A HA -0.180 4.141 4.320 0.002 0.000 0.218 84 A C 2.208 179.785 177.584 -0.012 0.000 1.169 84 A CA 1.252 53.279 52.037 -0.018 0.000 0.635 84 A CB -0.318 18.688 19.000 0.011 0.000 0.810 84 A HN 0.500 nan 8.150 nan 0.000 0.445 85 Q N -0.264 119.532 119.800 -0.007 0.000 2.020 85 Q HA -0.064 4.278 4.340 0.002 0.000 0.198 85 Q C 2.398 178.409 176.000 0.018 0.000 0.974 85 Q CA 1.602 57.410 55.803 0.009 0.000 0.829 85 Q CB -0.886 27.863 28.738 0.018 0.000 0.894 85 Q HN 0.456 nan 8.270 nan 0.000 0.433 86 V N 0.895 120.826 119.914 0.027 0.000 2.287 86 V HA -0.248 3.874 4.120 0.002 0.000 0.248 86 V C 2.376 178.481 176.094 0.018 0.000 1.053 86 V CA 2.006 64.329 62.300 0.038 0.000 1.027 86 V CB -0.819 31.036 31.823 0.054 0.000 0.646 86 V HN 0.266 nan 8.190 nan 0.000 0.447 87 S N -0.495 115.203 115.700 -0.003 0.000 2.370 87 S HA -0.226 4.245 4.470 0.002 0.000 0.226 87 S C 2.101 176.696 174.600 -0.008 0.000 1.033 87 S CA 1.724 59.916 58.200 -0.014 0.000 1.011 87 S CB -0.335 62.840 63.200 -0.042 0.000 0.852 87 S HN 0.545 nan 8.310 nan 0.000 0.457 88 R N 0.806 121.303 120.500 -0.007 0.000 2.115 88 R HA 0.065 4.406 4.340 0.002 0.000 0.226 88 R C 2.593 178.896 176.300 0.004 0.000 1.100 88 R CA 1.287 57.384 56.100 -0.004 0.000 0.980 88 R CB -0.335 29.962 30.300 -0.005 0.000 0.875 88 R HN 0.246 nan 8.270 nan 0.000 0.445 89 S N 1.062 116.768 115.700 0.010 0.000 2.356 89 S HA -0.082 4.389 4.470 0.002 0.000 0.223 89 S C 1.974 176.583 174.600 0.015 0.000 1.032 89 S CA 1.077 59.286 58.200 0.014 0.000 1.005 89 S CB -0.136 63.077 63.200 0.022 0.000 0.867 89 S HN 0.206 nan 8.310 nan 0.000 0.449 90 I N 1.641 122.222 120.570 0.018 0.000 2.252 90 I HA -0.187 3.984 4.170 0.002 0.000 0.245 90 I C 2.677 178.809 176.117 0.026 0.000 1.102 90 I CA 1.101 62.414 61.300 0.021 0.000 1.385 90 I CB -0.465 37.548 38.000 0.022 0.000 1.064 90 I HN 0.265 nan 8.210 nan 0.000 0.414 91 A N 0.659 123.491 122.820 0.020 0.000 1.930 91 A HA -0.209 4.112 4.320 0.002 0.000 0.217 91 A C 2.444 180.045 177.584 0.028 0.000 1.175 91 A CA 1.446 53.500 52.037 0.028 0.000 0.627 91 A CB -0.573 18.433 19.000 0.010 0.000 0.815 91 A HN 0.324 nan 8.150 nan 0.000 0.443 92 R N -0.321 120.188 120.500 0.015 0.000 2.081 92 R HA -0.093 4.248 4.340 0.002 0.000 0.235 92 R C 2.257 178.563 176.300 0.011 0.000 1.131 92 R CA 1.390 57.495 56.100 0.008 0.000 0.960 92 R CB -0.387 29.913 30.300 0.001 0.000 0.856 92 R HN 0.427 nan 8.270 nan 0.000 0.436 93 A N 0.636 123.464 122.820 0.014 0.000 1.972 93 A HA -0.091 4.230 4.320 0.002 0.000 0.219 93 A C 1.899 179.500 177.584 0.028 0.000 1.169 93 A CA 1.078 53.121 52.037 0.009 0.000 0.635 93 A CB -0.243 18.759 19.000 0.004 0.000 0.810 93 A HN 0.360 nan 8.150 nan 0.000 0.446 94 L N -1.080 120.183 121.223 0.066 0.000 2.628 94 L HA 0.252 4.593 4.340 0.002 0.000 0.229 94 L C 1.453 178.419 176.870 0.160 0.000 1.137 94 L CA 0.382 55.310 54.840 0.147 0.000 0.909 94 L CB -0.068 42.098 42.059 0.178 0.000 1.137 94 L HN 0.526 nan 8.230 nan 0.000 0.470 95 G N 0.876 109.708 108.800 0.054 0.000 2.221 95 G HA2 -0.280 3.682 3.960 0.002 0.000 0.265 95 G HA3 -0.280 3.682 3.960 0.002 0.000 0.265 95 G C 0.082 174.960 174.900 -0.036 0.000 1.041 95 G CA 0.136 45.226 45.100 -0.017 0.000 0.807 95 G HN 0.264 nan 8.290 nan 0.000 0.502 96 L N -0.472 120.770 121.223 0.032 0.000 2.416 96 L HA 0.410 4.752 4.340 0.002 0.000 0.262 96 L C 1.017 177.893 176.870 0.010 0.000 1.093 96 L CA -1.190 53.673 54.840 0.038 0.000 0.801 96 L CB 0.639 42.749 42.059 0.084 0.000 1.191 96 L HN 0.119 nan 8.230 nan 0.000 0.459 97 N N 1.362 120.067 118.700 0.007 0.000 2.423 97 N HA -0.069 4.673 4.740 0.002 0.000 0.275 97 N C 0.646 176.148 175.510 -0.013 0.000 1.283 97 N CA 0.462 53.519 53.050 0.011 0.000 0.932 97 N CB 0.803 39.307 38.487 0.028 0.000 1.185 97 N HN 0.629 nan 8.380 nan 0.000 0.483 98 E N 2.395 122.596 120.200 0.002 0.000 2.072 98 E HA -0.154 4.197 4.350 0.002 0.000 0.191 98 E C 0.424 177.017 176.600 -0.011 0.000 0.985 98 E CA 0.907 57.303 56.400 -0.008 0.000 0.801 98 E CB 0.317 30.016 29.700 -0.002 0.000 0.750 98 E HN 0.592 nan 8.360 nan 0.000 0.452 99 D N 0.681 121.095 120.400 0.022 0.000 2.104 99 D HA -0.177 4.464 4.640 0.002 0.000 0.194 99 D C 2.029 178.315 176.300 -0.023 0.000 0.994 99 D CA 0.661 54.687 54.000 0.045 0.000 0.830 99 D CB -0.269 40.617 40.800 0.143 0.000 0.959 99 D HN 0.125 nan 8.370 nan 0.000 0.452 100 L N 1.081 122.216 121.223 -0.147 0.000 2.012 100 L HA -0.163 4.178 4.340 0.002 0.000 0.210 100 L C 2.211 178.939 176.870 -0.237 0.000 1.073 100 L CA 1.851 56.431 54.840 -0.433 0.000 0.748 100 L CB -1.074 40.547 42.059 -0.730 0.000 0.891 100 L HN -0.038 nan 8.230 nan 0.000 0.431 101 T N -0.636 113.827 114.554 -0.152 0.000 2.652 101 T HA -0.281 4.070 4.350 0.002 0.000 0.267 101 T C 1.722 176.371 174.700 -0.085 0.000 1.039 101 T CA 1.817 63.854 62.100 -0.105 0.000 1.153 101 T CB -0.327 68.503 68.868 -0.063 0.000 0.863 101 T HN 0.534 nan 8.240 nan 0.000 0.428 102 E N 1.026 121.191 120.200 -0.059 0.000 2.038 102 E HA -0.170 4.182 4.350 0.002 0.000 0.195 102 E C 2.469 179.047 176.600 -0.036 0.000 1.000 102 E CA 1.127 57.505 56.400 -0.037 0.000 0.803 102 E CB -0.330 29.356 29.700 -0.024 0.000 0.750 102 E HN 0.447 nan 8.360 nan 0.000 0.448 103 A N 1.017 123.807 122.820 -0.050 0.000 1.927 103 A HA -0.233 4.088 4.320 0.002 0.000 0.220 103 A C 2.205 179.760 177.584 -0.048 0.000 1.185 103 A CA 1.840 53.850 52.037 -0.045 0.000 0.639 103 A CB -0.783 18.193 19.000 -0.042 0.000 0.820 103 A HN 0.403 nan 8.150 nan 0.000 0.451 104 I N -0.632 119.883 120.570 -0.092 0.000 2.202 104 I HA -0.239 3.932 4.170 0.002 0.000 0.242 104 I C 2.968 179.058 176.117 -0.045 0.000 1.091 104 I CA 0.985 62.217 61.300 -0.113 0.000 1.368 104 I CB -0.357 37.533 38.000 -0.183 0.000 1.058 104 I HN 0.363 nan 8.210 nan 0.000 0.410 105 A N 0.851 123.647 122.820 -0.040 0.000 1.933 105 A HA -0.145 4.176 4.320 0.002 0.000 0.218 105 A C 2.258 179.982 177.584 0.233 0.000 1.175 105 A CA 1.375 53.426 52.037 0.024 0.000 0.628 105 A CB -0.796 18.182 19.000 -0.038 0.000 0.814 105 A HN 0.406 nan 8.150 nan 0.000 0.444 106 L N 0.183 121.503 121.223 0.161 0.000 2.291 106 L HA -0.108 4.233 4.340 0.002 0.000 0.214 106 L C 2.649 179.689 176.870 0.284 0.000 1.120 106 L CA 1.399 56.397 54.840 0.264 0.000 0.799 106 L CB -0.208 41.932 42.059 0.135 0.000 0.925 106 L HN 0.599 nan 8.230 nan 0.000 0.446 107 S N -2.053 113.755 115.700 0.180 0.000 2.497 107 S HA -0.093 4.379 4.470 0.002 0.000 0.218 107 S C 1.995 176.638 174.600 0.072 0.000 1.023 107 S CA 0.003 58.277 58.200 0.123 0.000 0.913 107 S CB -0.409 62.822 63.200 0.052 0.000 0.800 107 S HN 0.545 nan 8.310 nan 0.000 0.505 108 H N 1.258 120.314 119.070 -0.022 0.000 2.457 108 H HA 0.012 4.569 4.556 0.002 0.000 0.297 108 H C 0.191 175.601 175.328 0.138 0.000 1.092 108 H CA 1.659 57.684 56.048 -0.039 0.000 1.309 108 H CB -0.570 29.109 29.762 -0.138 0.000 1.382 108 H HN 0.321 nan 8.280 nan 0.000 0.535 109 D N 0.062 120.136 120.400 -0.544 0.000 2.402 109 D HA 0.170 4.811 4.640 0.002 0.000 0.216 109 D C 2.125 178.477 176.300 0.088 0.000 1.128 109 D CA -0.155 53.754 54.000 -0.152 0.000 0.833 109 D CB 0.217 40.868 40.800 -0.248 0.000 0.971 109 D HN 0.311 nan 8.370 nan 0.000 0.503 110 L N -0.114 121.125 121.223 0.026 0.000 2.083 110 L HA -0.039 4.303 4.340 0.002 0.000 0.209 110 L C 2.222 179.140 176.870 0.080 0.000 1.083 110 L CA 1.312 56.189 54.840 0.062 0.000 0.752 110 L CB -0.334 41.771 42.059 0.078 0.000 0.899 110 L HN 0.117 nan 8.230 nan 0.000 0.433 111 G N -1.960 106.862 108.800 0.038 0.000 2.882 111 G HA2 -0.096 3.865 3.960 0.002 0.000 0.206 111 G HA3 -0.096 3.865 3.960 0.002 0.000 0.206 111 G C 0.090 175.049 174.900 0.098 0.000 1.155 111 G CA -0.174 44.947 45.100 0.034 0.000 0.800 111 G HN 0.359 nan 8.290 nan 0.000 0.524 112 H N 1.231 120.405 119.070 0.174 0.000 2.652 112 H HA 0.264 4.821 4.556 0.002 0.000 0.349 112 H C -1.729 173.679 175.328 0.133 0.000 1.099 112 H CA -0.899 55.254 56.048 0.175 0.000 1.417 112 H CB 1.523 31.313 29.762 0.048 0.000 1.457 112 H HN 0.122 nan 8.280 nan 0.000 0.568 113 P HA 0.144 nan 4.420 nan 0.000 0.279 113 P C -2.661 174.612 177.300 -0.046 0.000 1.276 113 P CA -1.847 61.283 63.100 0.050 0.000 0.801 113 P CB 0.595 32.257 31.700 -0.063 0.000 1.127 114 P HA -0.002 nan 4.420 nan 0.000 0.270 114 P C -0.131 176.869 177.300 -0.499 0.000 1.223 114 P CA 0.714 63.512 63.100 -0.503 0.000 0.785 114 P CB -0.021 31.187 31.700 -0.820 0.000 0.923 115 F N -2.493 117.430 119.950 -0.044 0.000 2.183 115 F HA -0.146 4.382 4.527 0.002 0.000 0.318 115 F C 1.325 177.068 175.800 -0.095 0.000 0.665 115 F CA 0.877 58.829 58.000 -0.080 0.000 0.912 115 F CB -2.210 36.738 39.000 -0.088 0.000 4.135 115 F HN 0.581 nan 8.300 nan 0.000 0.137 116 G N -2.037 106.821 108.800 0.097 0.000 2.773 116 G HA2 0.490 4.451 3.960 0.002 0.000 0.186 116 G HA3 0.490 4.451 3.960 0.002 0.000 0.186 116 G C 0.858 175.744 174.900 -0.022 0.000 1.411 116 G CA 0.474 45.547 45.100 -0.045 0.000 1.054 116 G HN 1.570 nan 8.290 nan 0.000 0.579 117 H N -1.483 117.535 119.070 -0.087 0.000 2.545 117 H HA 0.029 4.587 4.556 0.002 0.000 0.282 117 H C 2.541 177.853 175.328 -0.026 0.000 1.020 117 H CA 2.130 58.153 56.048 -0.043 0.000 1.243 117 H CB -0.920 28.764 29.762 -0.130 0.000 1.377 117 H HN 0.431 nan 8.280 nan 0.000 0.581 118 T N -0.088 114.436 114.554 -0.051 0.000 2.643 118 T HA -0.103 4.248 4.350 0.002 0.000 0.264 118 T C 2.720 177.427 174.700 0.012 0.000 1.045 118 T CA 1.372 63.443 62.100 -0.048 0.000 1.155 118 T CB -0.913 67.910 68.868 -0.074 0.000 0.863 118 T HN 0.708 nan 8.240 nan 0.000 0.420 119 G N 1.212 110.058 108.800 0.076 0.000 2.529 119 G HA2 -0.340 3.621 3.960 0.002 0.000 0.219 119 G HA3 -0.340 3.621 3.960 0.002 0.000 0.219 119 G C 1.389 176.330 174.900 0.069 0.000 1.177 119 G CA 1.311 46.473 45.100 0.104 0.000 0.773 119 G HN 0.637 nan 8.290 nan 0.000 0.573 120 E N 0.286 120.581 120.200 0.160 0.000 2.153 120 E HA -0.201 4.150 4.350 0.002 0.000 0.194 120 E C 2.350 179.065 176.600 0.192 0.000 0.988 120 E CA 1.455 58.031 56.400 0.292 0.000 0.811 120 E CB -0.326 29.559 29.700 0.308 0.000 0.746 120 E HN 0.696 nan 8.360 nan 0.000 0.466 121 H N 0.501 119.620 119.070 0.083 0.000 2.276 121 H HA -0.065 4.492 4.556 0.002 0.000 0.301 121 H C 2.414 177.744 175.328 0.004 0.000 1.073 121 H CA 2.325 58.395 56.048 0.037 0.000 1.311 121 H CB -1.292 28.468 29.762 -0.004 0.000 1.379 121 H HN 0.204 nan 8.280 nan 0.000 0.494 122 V N -1.167 118.729 119.914 -0.030 0.000 2.343 122 V HA -0.151 3.970 4.120 0.002 0.000 0.247 122 V C 2.526 178.548 176.094 -0.120 0.000 1.051 122 V CA 1.991 64.246 62.300 -0.075 0.000 1.036 122 V CB -1.114 30.660 31.823 -0.082 0.000 0.654 122 V HN 0.430 nan 8.190 nan 0.000 0.451 123 L N 1.489 122.634 121.223 -0.129 0.000 2.042 123 L HA -0.142 4.199 4.340 0.002 0.000 0.210 123 L C 2.507 179.318 176.870 -0.097 0.000 1.076 123 L CA 2.500 57.197 54.840 -0.239 0.000 0.749 123 L CB -1.409 40.325 42.059 -0.543 0.000 0.893 123 L HN 0.592 nan 8.230 nan 0.000 0.432 124 N N -0.855 117.887 118.700 0.071 0.000 2.142 124 N HA -0.135 4.607 4.740 0.002 0.000 0.186 124 N C 1.804 177.329 175.510 0.025 0.000 1.023 124 N CA 1.310 54.437 53.050 0.130 0.000 0.852 124 N CB -0.095 38.481 38.487 0.149 0.000 0.998 124 N HN 0.324 nan 8.380 nan 0.000 0.424 125 A N 1.108 123.914 122.820 -0.023 0.000 1.842 125 A HA -0.056 4.265 4.320 0.002 0.000 0.217 125 A C 1.170 178.699 177.584 -0.093 0.000 1.206 125 A CA 1.136 53.145 52.037 -0.047 0.000 0.630 125 A CB -1.231 17.732 19.000 -0.062 0.000 0.839 125 A HN 0.341 nan 8.150 nan 0.000 0.447 129 D N 0.519 120.959 120.400 0.067 0.000 2.340 129 D HA 0.115 4.756 4.640 0.002 0.000 0.217 129 D C -0.279 175.783 176.300 -0.397 0.000 1.081 129 D CA 0.479 54.399 54.000 -0.132 0.000 0.842 129 D CB 0.340 41.035 40.800 -0.174 0.000 0.934 129 D HN 0.409 nan 8.370 nan 0.000 0.511 130 H N -1.609 117.507 119.070 0.077 0.000 2.750 130 H HA 0.389 4.946 4.556 0.002 0.000 0.239 130 H C 1.258 176.639 175.328 0.089 0.000 1.210 130 H CA 0.118 56.221 56.048 0.091 0.000 0.936 130 H CB 0.976 30.817 29.762 0.132 0.000 2.074 130 H HN 0.036 nan 8.280 nan 0.000 0.622 131 G N -0.295 108.583 108.800 0.128 0.000 2.194 131 G HA2 -0.032 3.929 3.960 0.002 0.000 0.236 131 G HA3 -0.032 3.929 3.960 0.002 0.000 0.236 131 G C 0.814 175.779 174.900 0.108 0.000 0.987 131 G CA 0.114 45.275 45.100 0.103 0.000 0.635 131 G HN 1.143 nan 8.290 nan 0.000 0.520 132 G N -1.071 107.814 108.800 0.141 0.000 2.796 132 G HA2 0.264 4.225 3.960 0.002 0.000 0.226 132 G HA3 0.264 4.225 3.960 0.002 0.000 0.226 132 G C -0.449 174.582 174.900 0.220 0.000 1.381 132 G CA 0.097 45.285 45.100 0.146 0.000 0.867 132 G HN 1.838 nan 8.290 nan 0.000 0.552 133 F N 0.600 120.573 119.950 0.038 0.000 2.585 133 F HA 0.676 5.204 4.527 0.002 0.000 0.319 133 F C -0.590 175.233 175.800 0.038 0.000 1.165 133 F CA -0.742 57.283 58.000 0.041 0.000 0.949 133 F CB 2.008 41.032 39.000 0.040 0.000 1.218 133 F HN 0.634 nan 8.300 nan 0.000 0.453 134 E N 4.218 124.043 120.200 -0.624 0.000 2.272 134 E HA 0.156 4.508 4.350 0.002 0.000 0.269 134 E C 0.002 176.209 176.600 -0.655 0.000 0.877 134 E CA -0.387 55.774 56.400 -0.398 0.000 0.755 134 E CB 1.260 30.838 29.700 -0.203 0.000 1.192 134 E HN 0.985 nan 8.360 nan 0.000 0.422 135 H N 3.234 121.997 119.070 -0.511 0.000 2.421 135 H HA 0.012 4.569 4.556 0.002 0.000 0.298 135 H C 0.741 175.868 175.328 -0.335 0.000 1.087 135 H CA 2.237 57.989 56.048 -0.493 0.000 1.330 135 H CB 0.192 29.587 29.762 -0.612 0.000 1.388 135 H HN 0.380 nan 8.280 nan 0.000 0.526 136 N N 0.645 118.873 118.700 -0.787 0.000 2.171 136 N HA -0.032 4.710 4.740 0.002 0.000 0.184 136 N C 2.083 177.442 175.510 -0.253 0.000 1.021 136 N CA 1.169 53.930 53.050 -0.481 0.000 0.854 136 N CB -0.143 38.140 38.487 -0.340 0.000 0.994 136 N HN 0.520 nan 8.380 nan 0.000 0.426 137 A N 0.580 123.254 122.820 -0.244 0.000 1.930 137 A HA -0.163 4.158 4.320 0.002 0.000 0.217 137 A C 2.155 179.646 177.584 -0.155 0.000 1.175 137 A CA 1.204 53.147 52.037 -0.157 0.000 0.627 137 A CB -0.539 18.373 19.000 -0.147 0.000 0.815 137 A HN 0.171 nan 8.150 nan 0.000 0.443 138 Q N 0.088 119.733 119.800 -0.258 0.000 2.181 138 Q HA -0.065 4.276 4.340 0.002 0.000 0.205 138 Q C 1.966 177.935 176.000 -0.051 0.000 0.980 138 Q CA 1.947 57.658 55.803 -0.153 0.000 0.862 138 Q CB -0.616 27.985 28.738 -0.228 0.000 0.905 138 Q HN 0.578 nan 8.270 nan 0.000 0.429 139 A N -0.192 122.572 122.820 -0.093 0.000 1.898 139 A HA -0.117 4.204 4.320 0.002 0.000 0.216 139 A C 2.058 179.637 177.584 -0.010 0.000 1.181 139 A CA 1.398 53.410 52.037 -0.041 0.000 0.620 139 A CB -0.687 18.268 19.000 -0.075 0.000 0.819 139 A HN 0.436 nan 8.150 nan 0.000 0.442 140 L N -0.899 120.308 121.223 -0.027 0.000 2.093 140 L HA -0.137 4.205 4.340 0.002 0.000 0.208 140 L C 2.714 179.609 176.870 0.042 0.000 1.085 140 L CA 1.577 56.419 54.840 0.004 0.000 0.755 140 L CB -0.434 41.630 42.059 0.008 0.000 0.904 140 L HN 0.516 nan 8.230 nan 0.000 0.435 141 R N 0.998 121.522 120.500 0.039 0.000 2.073 141 R HA -0.174 4.167 4.340 0.002 0.000 0.234 141 R C 2.278 178.660 176.300 0.136 0.000 1.134 141 R CA 1.626 57.776 56.100 0.084 0.000 0.952 141 R CB -0.323 30.023 30.300 0.078 0.000 0.850 141 R HN 0.255 nan 8.270 nan 0.000 0.433 142 I N 0.923 121.558 120.570 0.109 0.000 2.163 142 I HA -0.295 3.876 4.170 0.002 0.000 0.243 142 I C 2.029 178.222 176.117 0.127 0.000 1.085 142 I CA 1.377 62.748 61.300 0.118 0.000 1.347 142 I CB -0.146 37.912 38.000 0.097 0.000 1.044 142 I HN 0.289 nan 8.210 nan 0.000 0.408 143 L N -0.056 121.231 121.223 0.107 0.000 2.478 143 L HA -0.071 4.270 4.340 0.002 0.000 0.223 143 L C 2.079 179.027 176.870 0.129 0.000 1.140 143 L CA 1.201 56.107 54.840 0.110 0.000 0.842 143 L CB -0.521 41.579 42.059 0.069 0.000 0.953 143 L HN 0.421 nan 8.230 nan 0.000 0.452 144 T N -6.827 107.815 114.554 0.147 0.000 3.004 144 T HA 0.062 4.414 4.350 0.002 0.000 0.266 144 T C 1.115 175.975 174.700 0.267 0.000 0.986 144 T CA 0.004 62.208 62.100 0.173 0.000 0.902 144 T CB 0.265 69.208 68.868 0.124 0.000 1.118 144 T HN 0.281 nan 8.240 nan 0.000 0.522 145 H N -0.288 118.850 119.070 0.113 0.000 2.192 145 H HA 0.484 5.042 4.556 0.002 0.000 0.176 145 H C 1.444 176.831 175.328 0.098 0.000 0.901 145 H CA 0.082 56.194 56.048 0.108 0.000 0.923 145 H CB -0.055 29.760 29.762 0.089 0.000 1.057 145 H HN 0.090 nan 8.280 nan 0.000 0.394 146 L N 0.696 122.015 121.223 0.161 0.000 2.056 146 L HA 0.031 4.372 4.340 0.002 0.000 0.207 146 L C 0.207 177.102 176.870 0.041 0.000 1.078 146 L CA 1.053 55.928 54.840 0.058 0.000 0.749 146 L CB -0.267 41.856 42.059 0.107 0.000 0.901 146 L HN 0.283 nan 8.230 nan 0.000 0.433 147 E N 1.191 121.443 120.200 0.087 0.000 2.194 147 E HA 0.235 4.586 4.350 0.002 0.000 0.284 147 E C -0.837 175.818 176.600 0.092 0.000 1.035 147 E CA -0.216 56.236 56.400 0.086 0.000 0.836 147 E CB 2.180 31.952 29.700 0.119 0.000 1.070 147 E HN -0.063 nan 8.360 nan 0.000 0.401 148 V N 5.153 125.092 119.914 0.041 0.000 2.293 148 V HA 0.259 4.380 4.120 0.002 0.000 0.275 148 V C 0.832 176.918 176.094 -0.014 0.000 1.021 148 V CA -0.401 61.911 62.300 0.020 0.000 0.815 148 V CB 0.615 32.421 31.823 -0.029 0.000 1.025 148 V HN 0.649 nan 8.190 nan 0.000 0.448 149 R N 2.435 122.936 120.500 0.002 0.000 2.521 149 R HA 0.310 4.651 4.340 0.002 0.000 0.289 149 R C -0.860 175.140 176.300 -0.501 0.000 0.936 149 R CA 0.005 55.988 56.100 -0.195 0.000 1.089 149 R CB 0.889 31.093 30.300 -0.160 0.000 1.348 149 R HN 0.597 nan 8.270 nan 0.000 0.536 150 Y N 1.937 122.114 120.300 -0.206 0.000 2.406 150 Y HA 0.374 4.925 4.550 0.003 0.000 0.340 150 Y C -2.275 173.298 175.900 -0.546 0.000 0.975 150 Y CA -2.819 55.036 58.100 -0.408 0.000 1.056 150 Y CB 1.808 39.865 38.460 -0.671 0.000 1.210 150 Y HN -0.117 nan 8.280 nan 0.000 0.448 151 P HA 0.274 nan 4.420 nan 0.000 0.274 151 P C 0.629 177.713 177.300 -0.360 0.000 1.231 151 P CA 0.586 63.537 63.100 -0.248 0.000 0.790 151 P CB 1.593 33.205 31.700 -0.147 0.000 0.951 152 G N 0.885 109.540 108.800 -0.242 0.000 2.234 152 G HA2 -0.169 3.793 3.960 0.002 0.000 0.235 152 G HA3 -0.169 3.793 3.960 0.002 0.000 0.235 152 G C -0.159 174.684 174.900 -0.095 0.000 0.997 152 G CA 0.203 45.211 45.100 -0.154 0.000 0.623 152 G HN 0.781 nan 8.290 nan 0.000 0.514 153 F N -1.427 118.449 119.950 -0.124 0.000 2.746 153 F HA 0.746 5.274 4.527 0.002 0.000 0.311 153 F C -0.593 175.153 175.800 -0.091 0.000 1.135 153 F CA -1.988 55.864 58.000 -0.246 0.000 0.954 153 F CB 0.283 38.876 39.000 -0.678 0.000 1.276 153 F HN 0.162 nan 8.300 nan 0.000 0.440 154 R N 1.585 122.224 120.500 0.232 0.000 2.528 154 R HA 0.725 5.066 4.340 0.002 0.000 0.271 154 R C 0.534 177.038 176.300 0.341 0.000 1.056 154 R CA -0.145 56.080 56.100 0.209 0.000 1.117 154 R CB 0.938 31.313 30.300 0.125 0.000 1.085 154 R HN 1.491 nan 8.270 nan 0.000 0.530 155 G N 0.398 109.365 108.800 0.278 0.000 2.693 155 G HA2 -0.262 3.699 3.960 0.002 0.000 0.226 155 G HA3 -0.262 3.699 3.960 0.002 0.000 0.226 155 G C -0.157 174.955 174.900 0.354 0.000 1.354 155 G CA -0.591 44.674 45.100 0.275 0.000 0.873 155 G HN 0.404 nan 8.290 nan 0.000 0.562 156 L N 0.746 122.110 121.223 0.235 0.000 2.616 156 L HA 0.364 4.705 4.340 0.002 0.000 0.229 156 L C 1.425 178.280 176.870 -0.026 0.000 1.110 156 L CA 1.113 56.064 54.840 0.184 0.000 0.884 156 L CB -0.523 41.627 42.059 0.152 0.000 1.115 156 L HN 0.973 nan 8.230 nan 0.000 0.481 157 N N 0.117 118.752 118.700 -0.109 0.000 2.758 157 N HA -0.222 4.519 4.740 0.002 0.000 0.248 157 N C -0.357 175.061 175.510 -0.153 0.000 1.076 157 N CA 0.343 53.220 53.050 -0.289 0.000 0.696 157 N CB -1.283 36.702 38.487 -0.838 0.000 0.979 157 N HN 0.228 nan 8.380 nan 0.000 0.550 158 L N 0.021 121.208 121.223 -0.060 0.000 2.473 158 L HA 0.187 4.528 4.340 0.002 0.000 0.268 158 L C 1.614 178.484 176.870 -0.001 0.000 1.215 158 L CA 0.081 54.909 54.840 -0.020 0.000 0.823 158 L CB 0.164 42.222 42.059 -0.002 0.000 1.099 158 L HN 0.382 nan 8.230 nan 0.000 0.483 159 T N -2.146 112.437 114.554 0.048 0.000 2.855 159 T HA -0.102 4.249 4.350 0.002 0.000 0.322 159 T C 0.840 175.613 174.700 0.122 0.000 1.088 159 T CA -0.007 62.159 62.100 0.109 0.000 1.104 159 T CB 0.383 69.385 68.868 0.223 0.000 0.996 159 T HN 0.529 nan 8.240 nan 0.000 0.549 160 Y N 1.681 122.010 120.300 0.048 0.000 2.165 160 Y HA -0.117 4.434 4.550 0.002 0.000 0.286 160 Y C 2.353 178.242 175.900 -0.018 0.000 1.155 160 Y CA 2.098 60.222 58.100 0.041 0.000 1.164 160 Y CB -0.375 38.128 38.460 0.072 0.000 0.978 160 Y HN 0.792 nan 8.280 nan 0.000 0.513 161 E N -0.468 119.873 120.200 0.235 0.000 2.153 161 E HA -0.150 4.202 4.350 0.002 0.000 0.194 161 E C 2.266 178.779 176.600 -0.144 0.000 0.988 161 E CA 1.466 57.909 56.400 0.070 0.000 0.811 161 E CB -0.505 29.267 29.700 0.119 0.000 0.746 161 E HN 0.384 nan 8.360 nan 0.000 0.466 162 V N 0.566 120.411 119.914 -0.114 0.000 2.323 162 V HA -0.197 3.924 4.120 0.002 0.000 0.244 162 V C 2.191 178.139 176.094 -0.243 0.000 1.041 162 V CA 1.318 63.520 62.300 -0.164 0.000 1.025 162 V CB -0.471 31.311 31.823 -0.069 0.000 0.656 162 V HN 0.219 nan 8.190 nan 0.000 0.451 163 L N 0.039 121.084 121.223 -0.296 0.000 2.017 163 L HA -0.217 4.125 4.340 0.002 0.000 0.208 163 L C 2.658 179.076 176.870 -0.753 0.000 1.073 163 L CA 2.160 56.745 54.840 -0.426 0.000 0.745 163 L CB -0.693 41.139 42.059 -0.378 0.000 0.894 163 L HN 0.437 nan 8.230 nan 0.000 0.432 164 E N 0.421 120.021 120.200 -1.000 0.000 2.097 164 E HA -0.244 4.108 4.350 0.002 0.000 0.196 164 E C 2.130 178.451 176.600 -0.466 0.000 1.000 164 E CA 1.480 57.278 56.400 -1.004 0.000 0.804 164 E CB -0.223 29.110 29.700 -0.611 0.000 0.740 164 E HN 0.490 nan 8.360 nan 0.000 0.454 165 G N 1.381 109.986 108.800 -0.325 0.000 2.418 165 G HA2 -0.218 3.743 3.960 0.002 0.000 0.217 165 G HA3 -0.218 3.743 3.960 0.002 0.000 0.217 165 G C 1.541 176.324 174.900 -0.196 0.000 1.158 165 G CA 0.908 45.885 45.100 -0.206 0.000 0.771 165 G HN 0.242 nan 8.290 nan 0.000 0.545 166 I N 1.812 122.232 120.570 -0.251 0.000 2.286 166 I HA -0.081 4.090 4.170 0.002 0.000 0.248 166 I C 3.131 179.261 176.117 0.022 0.000 1.115 166 I CA 1.089 62.271 61.300 -0.198 0.000 1.392 166 I CB -1.361 36.543 38.000 -0.160 0.000 1.065 166 I HN 0.262 nan 8.210 nan 0.000 0.418 167 A N 0.927 123.692 122.820 -0.092 0.000 1.898 167 A HA -0.143 4.178 4.320 0.002 0.000 0.214 167 A C 2.441 180.058 177.584 0.055 0.000 1.183 167 A CA 2.183 54.215 52.037 -0.009 0.000 0.622 167 A CB -0.964 18.039 19.000 0.005 0.000 0.824 167 A HN 0.512 nan 8.150 nan 0.000 0.444 168 T N -1.600 112.976 114.554 0.037 0.000 2.894 168 T HA -0.040 4.312 4.350 0.002 0.000 0.258 168 T C 1.280 176.026 174.700 0.077 0.000 1.043 168 T CA 0.700 62.834 62.100 0.058 0.000 1.141 168 T CB -0.989 67.904 68.868 0.041 0.000 0.873 168 T HN 0.720 nan 8.240 nan 0.000 0.449 182 E N 0.639 120.965 120.200 0.210 0.000 3.855 182 E HA -0.253 4.098 4.350 0.002 0.000 0.329 182 E C 0.581 177.243 176.600 0.103 0.000 1.608 182 E CA 1.476 57.969 56.400 0.154 0.000 2.299 182 E CB -0.863 28.955 29.700 0.195 0.000 1.922 182 E HN 0.816 nan 8.360 nan 0.000 0.392 183 G N -0.668 108.187 108.800 0.092 0.000 3.407 183 G HA2 0.283 4.244 3.960 0.002 0.000 0.187 183 G HA3 0.283 4.244 3.960 0.002 0.000 0.187 183 G C -0.584 174.357 174.900 0.069 0.000 1.262 183 G CA -0.286 44.852 45.100 0.064 0.000 0.808 183 G HN 0.274 nan 8.290 nan 0.000 0.687 184 Q N 0.091 119.929 119.800 0.062 0.000 2.354 184 Q HA 0.422 4.763 4.340 0.002 0.000 0.310 184 Q C 0.722 176.766 176.000 0.072 0.000 1.104 184 Q CA 1.099 56.941 55.803 0.064 0.000 0.968 184 Q CB 0.721 29.505 28.738 0.077 0.000 1.251 184 Q HN 0.636 nan 8.270 nan 0.000 0.411 185 G N 0.207 109.043 108.800 0.059 0.000 2.736 185 G HA2 0.498 4.459 3.960 0.002 0.000 0.229 185 G HA3 0.498 4.459 3.960 0.002 0.000 0.229 185 G C -0.660 174.269 174.900 0.048 0.000 1.380 185 G CA -0.126 45.006 45.100 0.054 0.000 1.040 185 G HN 0.720 nan 8.290 nan 0.000 0.568 186 T N -1.494 113.078 114.554 0.031 0.000 2.868 186 T HA 0.208 4.559 4.350 0.002 0.000 0.292 186 T C 1.401 176.113 174.700 0.020 0.000 1.028 186 T CA -0.505 61.613 62.100 0.030 0.000 1.059 186 T CB 1.152 70.024 68.868 0.006 0.000 0.991 186 T HN 0.210 nan 8.240 nan 0.000 0.531 187 L N 0.966 122.208 121.223 0.032 0.000 2.083 187 L HA 0.013 4.355 4.340 0.002 0.000 0.209 187 L C 2.481 179.359 176.870 0.013 0.000 1.083 187 L CA 1.766 56.618 54.840 0.021 0.000 0.752 187 L CB -1.360 40.724 42.059 0.042 0.000 0.899 187 L HN 0.822 nan 8.230 nan 0.000 0.433 188 E N -0.475 119.727 120.200 0.004 0.000 2.097 188 E HA -0.218 4.133 4.350 0.002 0.000 0.196 188 E C 2.250 178.823 176.600 -0.045 0.000 1.000 188 E CA 1.610 57.992 56.400 -0.030 0.000 0.804 188 E CB -0.506 29.148 29.700 -0.078 0.000 0.740 188 E HN 0.581 nan 8.360 nan 0.000 0.454 189 A N 0.665 123.458 122.820 -0.044 0.000 1.898 189 A HA -0.250 4.071 4.320 0.002 0.000 0.216 189 A C 2.068 179.669 177.584 0.028 0.000 1.181 189 A CA 1.582 53.600 52.037 -0.032 0.000 0.620 189 A CB -0.486 18.499 19.000 -0.024 0.000 0.819 189 A HN 0.222 nan 8.150 nan 0.000 0.442 190 Q N -0.495 119.321 119.800 0.026 0.000 2.124 190 Q HA -0.107 4.234 4.340 0.002 0.000 0.202 190 Q C 2.096 178.109 176.000 0.022 0.000 0.977 190 Q CA 1.531 57.353 55.803 0.032 0.000 0.850 190 Q CB -0.385 28.362 28.738 0.016 0.000 0.901 190 Q HN 0.470 nan 8.270 nan 0.000 0.429 191 V N 0.343 120.261 119.914 0.006 0.000 2.343 191 V HA -0.237 3.885 4.120 0.002 0.000 0.247 191 V C 2.236 178.325 176.094 -0.007 0.000 1.051 191 V CA 1.402 63.703 62.300 0.001 0.000 1.036 191 V CB -0.392 31.431 31.823 0.000 0.000 0.654 191 V HN 0.200 nan 8.190 nan 0.000 0.451 192 V N 0.364 120.262 119.914 -0.027 0.000 2.332 192 V HA -0.330 3.791 4.120 0.002 0.000 0.248 192 V C 2.303 178.384 176.094 -0.023 0.000 1.055 192 V CA 2.529 64.787 62.300 -0.071 0.000 1.038 192 V CB -0.711 31.018 31.823 -0.157 0.000 0.651 192 V HN 0.653 nan 8.190 nan 0.000 0.450 193 D N -0.358 120.093 120.400 0.084 0.000 2.097 193 D HA -0.182 4.459 4.640 0.002 0.000 0.195 193 D C 1.935 178.272 176.300 0.062 0.000 0.989 193 D CA 1.180 55.251 54.000 0.118 0.000 0.827 193 D CB -0.179 40.664 40.800 0.071 0.000 0.966 193 D HN 0.258 nan 8.370 nan 0.000 0.456 194 L N 0.242 121.485 121.223 0.033 0.000 2.083 194 L HA -0.089 4.252 4.340 0.002 0.000 0.209 194 L C 2.183 179.064 176.870 0.019 0.000 1.083 194 L CA 1.651 56.502 54.840 0.017 0.000 0.752 194 L CB -0.867 41.197 42.059 0.009 0.000 0.899 194 L HN -0.041 nan 8.230 nan 0.000 0.433 195 S N -0.612 115.098 115.700 0.016 0.000 2.382 195 S HA -0.204 4.267 4.470 0.002 0.000 0.228 195 S C 1.647 176.277 174.600 0.049 0.000 1.027 195 S CA 1.240 59.451 58.200 0.018 0.000 0.991 195 S CB -0.472 62.721 63.200 -0.011 0.000 0.823 195 S HN 0.627 nan 8.310 nan 0.000 0.469 196 D N 1.712 122.151 120.400 0.066 0.000 2.123 196 D HA -0.074 4.567 4.640 0.002 0.000 0.196 196 D C 1.950 178.441 176.300 0.318 0.000 0.992 196 D CA 1.397 55.516 54.000 0.199 0.000 0.833 196 D CB -0.339 40.614 40.800 0.254 0.000 0.954 196 D HN 0.310 nan 8.370 nan 0.000 0.455 197 A N 0.201 123.139 122.820 0.197 0.000 1.873 197 A HA -0.091 4.230 4.320 0.002 0.000 0.215 197 A C 2.546 180.179 177.584 0.081 0.000 1.186 197 A CA 1.331 53.455 52.037 0.144 0.000 0.616 197 A CB -0.841 18.175 19.000 0.026 0.000 0.823 197 A HN 0.361 nan 8.150 nan 0.000 0.442 198 I N -0.188 120.378 120.570 -0.007 0.000 2.163 198 I HA -0.309 3.862 4.170 0.002 0.000 0.243 198 I C 2.993 179.159 176.117 0.081 0.000 1.085 198 I CA 1.126 62.385 61.300 -0.069 0.000 1.347 198 I CB -0.368 37.619 38.000 -0.021 0.000 1.044 198 I HN 0.377 nan 8.210 nan 0.000 0.408 199 A N 0.034 122.953 122.820 0.165 0.000 1.858 199 A HA -0.270 4.051 4.320 0.002 0.000 0.216 199 A C 2.288 180.119 177.584 0.411 0.000 1.190 199 A CA 1.485 53.684 52.037 0.270 0.000 0.617 199 A CB -1.213 17.896 19.000 0.181 0.000 0.827 199 A HN 0.437 nan 8.150 nan 0.000 0.443 200 Y N -0.039 120.470 120.300 0.347 0.000 2.114 200 Y HA -0.247 4.305 4.550 0.002 0.000 0.282 200 Y C 2.906 178.950 175.900 0.241 0.000 1.165 200 Y CA 1.227 59.524 58.100 0.328 0.000 1.148 200 Y CB -0.180 38.422 38.460 0.237 0.000 0.972 200 Y HN 0.392 nan 8.280 nan 0.000 0.504 201 A N -0.048 122.978 122.820 0.344 0.000 1.845 201 A HA -0.233 4.088 4.320 0.002 0.000 0.215 201 A C 2.346 180.029 177.584 0.165 0.000 1.195 201 A CA 2.032 54.195 52.037 0.210 0.000 0.616 201 A CB -1.475 17.580 19.000 0.091 0.000 0.832 201 A HN 0.506 nan 8.150 nan 0.000 0.443 202 A N -1.362 121.495 122.820 0.063 0.000 1.933 202 A HA -0.180 4.141 4.320 0.002 0.000 0.218 202 A C 2.004 179.506 177.584 -0.136 0.000 1.175 202 A CA 1.658 53.649 52.037 -0.077 0.000 0.628 202 A CB -0.848 18.005 19.000 -0.245 0.000 0.814 202 A HN 0.691 nan 8.150 nan 0.000 0.444 203 H N -0.693 118.500 119.070 0.205 0.000 2.512 203 H HA 0.000 4.558 4.556 0.002 0.000 0.279 203 H C 0.968 176.420 175.328 0.206 0.000 0.999 203 H CA 1.153 57.312 56.048 0.186 0.000 1.283 203 H CB -0.076 29.793 29.762 0.179 0.000 1.421 203 H HN 0.434 nan 8.280 nan 0.000 0.554 204 D N 0.539 121.149 120.400 0.350 0.000 2.234 204 D HA -0.077 4.564 4.640 0.002 0.000 0.205 204 D C 2.230 178.546 176.300 0.027 0.000 0.962 204 D CA 0.137 54.358 54.000 0.369 0.000 0.855 204 D CB -0.036 41.109 40.800 0.574 0.000 0.951 204 D HN 0.171 nan 8.370 nan 0.000 0.500 205 L N 0.828 122.091 121.223 0.068 0.000 2.044 205 L HA -0.082 4.259 4.340 0.002 0.000 0.205 205 L C 1.676 178.610 176.870 0.106 0.000 1.075 205 L CA 1.775 56.639 54.840 0.041 0.000 0.747 205 L CB -0.525 41.646 42.059 0.186 0.000 0.903 205 L HN -0.065 nan 8.230 nan 0.000 0.435 206 D N -0.685 119.799 120.400 0.139 0.000 2.092 206 D HA -0.245 4.396 4.640 0.002 0.000 0.193 206 D C 1.474 177.816 176.300 0.069 0.000 0.994 206 D CA 1.721 55.812 54.000 0.151 0.000 0.828 206 D CB 0.052 40.951 40.800 0.166 0.000 0.963 206 D HN 0.397 nan 8.370 nan 0.000 0.450 207 D N -0.079 120.343 120.400 0.036 0.000 2.149 207 D HA -0.109 4.533 4.640 0.002 0.000 0.198 207 D C 2.034 178.165 176.300 -0.281 0.000 0.990 207 D CA 1.265 55.247 54.000 -0.031 0.000 0.839 207 D CB -0.730 40.159 40.800 0.147 0.000 0.948 207 D HN 0.404 nan 8.370 nan 0.000 0.460 208 G N -0.390 108.014 108.800 -0.661 0.000 2.422 208 G HA2 -0.247 3.715 3.960 0.002 0.000 0.218 208 G HA3 -0.247 3.715 3.960 0.002 0.000 0.218 208 G C 1.416 175.891 174.900 -0.708 0.000 1.146 208 G CA 0.251 44.655 45.100 -1.160 0.000 0.769 208 G HN 0.189 nan 8.290 nan 0.000 0.547 209 F N 0.142 119.883 119.950 -0.349 0.000 2.187 209 F HA 0.216 4.744 4.527 0.002 0.000 0.295 209 F C 2.723 178.361 175.800 -0.270 0.000 1.091 209 F CA 0.909 58.757 58.000 -0.254 0.000 1.308 209 F CB -0.232 38.674 39.000 -0.158 0.000 1.030 209 F HN -0.017 nan 8.300 nan 0.000 0.487 210 R N 0.345 120.792 120.500 -0.090 0.000 2.096 210 R HA -0.107 4.234 4.340 0.002 0.000 0.235 210 R C 2.046 177.987 176.300 -0.600 0.000 1.127 210 R CA 1.273 57.238 56.100 -0.224 0.000 0.968 210 R CB -0.459 29.784 30.300 -0.095 0.000 0.861 210 R HN 0.199 nan 8.270 nan 0.000 0.440 211 A N -0.383 122.096 122.820 -0.568 0.000 2.235 211 A HA 0.171 4.492 4.320 0.002 0.000 0.208 211 A C 1.273 178.602 177.584 -0.424 0.000 1.172 211 A CA 0.727 52.378 52.037 -0.643 0.000 0.786 211 A CB -0.508 18.278 19.000 -0.358 0.000 0.804 211 A HN 0.543 nan 8.150 nan 0.000 0.479 212 G N -1.757 106.824 108.800 -0.364 0.000 2.249 212 G HA2 -0.243 3.718 3.960 0.002 0.000 0.273 212 G HA3 -0.243 3.718 3.960 0.002 0.000 0.273 212 G C 0.467 175.158 174.900 -0.349 0.000 1.036 212 G CA 0.651 45.593 45.100 -0.264 0.000 0.824 212 G HN 0.395 nan 8.290 nan 0.000 0.504 213 L N -1.043 119.927 121.223 -0.422 0.000 2.357 213 L HA 0.479 4.820 4.340 0.002 0.000 0.211 213 L C 1.631 178.217 176.870 -0.473 0.000 1.075 213 L CA 0.958 55.561 54.840 -0.395 0.000 0.830 213 L CB 0.057 41.930 42.059 -0.310 0.000 0.996 213 L HN 0.356 nan 8.230 nan 0.000 0.467 214 L N -0.476 120.314 121.223 -0.721 0.000 2.309 214 L HA 0.332 4.673 4.340 0.002 0.000 0.282 214 L C -0.520 175.937 176.870 -0.688 0.000 1.036 214 L CA -0.588 53.766 54.840 -0.810 0.000 0.806 214 L CB 1.137 42.324 42.059 -1.453 0.000 1.220 214 L HN 0.065 nan 8.230 nan 0.000 0.429 215 H N 2.889 121.959 119.070 0.001 0.000 2.492 215 H HA 0.271 4.828 4.556 0.002 0.000 0.345 215 H C -2.169 173.413 175.328 0.422 0.000 1.136 215 H CA -2.169 54.014 56.048 0.226 0.000 1.202 215 H CB 1.985 31.819 29.762 0.121 0.000 1.524 215 H HN 0.301 nan 8.280 nan 0.000 0.506 216 P HA 0.033 nan 4.420 nan 0.000 0.252 216 P C 0.016 177.401 177.300 0.142 0.000 1.694 216 P CA 0.490 63.721 63.100 0.218 0.000 1.163 216 P CB 0.038 31.774 31.700 0.060 0.000 1.934 217 E N 0.782 121.075 120.200 0.154 0.000 1.452 217 E HA -0.033 4.318 4.350 0.002 0.000 0.199 217 E C 0.548 177.196 176.600 0.079 0.000 0.890 217 E CA -0.183 56.267 56.400 0.084 0.000 1.031 217 E CB -0.716 29.032 29.700 0.079 0.000 4.262 217 E HN 0.271 nan 8.360 nan 0.000 0.686 218 E N 1.496 121.780 120.200 0.140 0.000 2.478 218 E HA 0.223 4.574 4.350 0.002 0.000 0.194 218 E C 1.871 178.408 176.600 -0.105 0.000 1.045 218 E CA -0.021 56.439 56.400 0.101 0.000 0.868 218 E CB 0.228 30.100 29.700 0.287 0.000 0.885 218 E HN 0.192 nan 8.360 nan 0.000 0.505 219 L N 1.476 122.675 121.223 -0.039 0.000 2.187 219 L HA -0.213 4.128 4.340 0.002 0.000 0.213 219 L C 2.418 179.172 176.870 -0.194 0.000 1.100 219 L CA 1.348 56.106 54.840 -0.137 0.000 0.765 219 L CB -0.374 41.645 42.059 -0.067 0.000 0.904 219 L HN 0.153 nan 8.230 nan 0.000 0.437 220 K N -0.864 119.459 120.400 -0.128 0.000 2.439 220 K HA -0.138 4.184 4.320 0.002 0.000 0.197 220 K C 1.633 178.156 176.600 -0.129 0.000 1.041 220 K CA 0.713 56.934 56.287 -0.109 0.000 0.970 220 K CB -0.092 32.371 32.500 -0.061 0.000 0.773 220 K HN 0.157 nan 8.250 nan 0.000 0.479 221 E N 1.474 121.558 120.200 -0.193 0.000 2.338 221 E HA -0.051 4.300 4.350 0.002 0.000 0.197 221 E C -0.243 176.249 176.600 -0.180 0.000 1.007 221 E CA 0.455 56.757 56.400 -0.163 0.000 0.849 221 E CB 0.499 30.112 29.700 -0.144 0.000 0.774 221 E HN 0.195 nan 8.360 nan 0.000 0.506 222 V N 0.694 120.456 119.914 -0.253 0.000 2.482 222 V HA 0.110 4.232 4.120 0.002 0.000 0.295 222 V C 0.859 176.871 176.094 -0.137 0.000 1.026 222 V CA -0.350 61.849 62.300 -0.169 0.000 0.856 222 V CB 1.857 33.562 31.823 -0.197 0.000 1.001 222 V HN 0.052 nan 8.190 nan 0.000 0.424 223 E N 4.295 124.439 120.200 -0.092 0.000 2.114 223 E HA -0.264 4.087 4.350 0.002 0.000 0.199 223 E C 1.594 178.114 176.600 -0.134 0.000 1.008 223 E CA 2.408 58.750 56.400 -0.096 0.000 0.810 223 E CB 0.013 29.672 29.700 -0.069 0.000 0.739 223 E HN 0.774 nan 8.360 nan 0.000 0.456 224 L N 0.239 121.368 121.223 -0.157 0.000 2.012 224 L HA -0.162 4.180 4.340 0.002 0.000 0.210 224 L C 2.152 178.885 176.870 -0.229 0.000 1.073 224 L CA 1.458 56.142 54.840 -0.260 0.000 0.748 224 L CB -0.552 41.310 42.059 -0.328 0.000 0.891 224 L HN 0.238 nan 8.230 nan 0.000 0.431 225 L N -0.483 120.639 121.223 -0.169 0.000 2.017 225 L HA -0.235 4.107 4.340 0.002 0.000 0.208 225 L C 2.679 179.463 176.870 -0.143 0.000 1.073 225 L CA 2.106 56.858 54.840 -0.147 0.000 0.745 225 L CB -1.237 40.736 42.059 -0.143 0.000 0.894 225 L HN 0.545 nan 8.230 nan 0.000 0.432 226 Q N -0.535 119.181 119.800 -0.139 0.000 2.061 226 Q HA -0.246 4.095 4.340 0.002 0.000 0.204 226 Q C 2.113 178.047 176.000 -0.111 0.000 0.984 226 Q CA 2.153 57.887 55.803 -0.115 0.000 0.846 226 Q CB -0.103 28.573 28.738 -0.104 0.000 0.902 226 Q HN 0.474 nan 8.270 nan 0.000 0.421 227 A N 1.324 124.068 122.820 -0.125 0.000 1.877 227 A HA -0.160 4.161 4.320 0.002 0.000 0.216 227 A C 2.134 179.641 177.584 -0.127 0.000 1.186 227 A CA 1.270 53.233 52.037 -0.124 0.000 0.620 227 A CB -0.679 18.232 19.000 -0.148 0.000 0.822 227 A HN 0.457 nan 8.150 nan 0.000 0.443 228 L N -0.669 120.460 121.223 -0.156 0.000 2.046 228 L HA -0.166 4.176 4.340 0.002 0.000 0.208 228 L C 2.993 179.798 176.870 -0.108 0.000 1.077 228 L CA 2.114 56.869 54.840 -0.141 0.000 0.747 228 L CB -1.600 40.361 42.059 -0.163 0.000 0.896 228 L HN 0.473 nan 8.230 nan 0.000 0.432 229 A N -0.655 122.099 122.820 -0.110 0.000 1.930 229 A HA -0.140 4.181 4.320 0.002 0.000 0.217 229 A C 2.338 179.873 177.584 -0.082 0.000 1.175 229 A CA 1.084 53.061 52.037 -0.099 0.000 0.627 229 A CB -0.441 18.494 19.000 -0.109 0.000 0.815 229 A HN 0.381 nan 8.150 nan 0.000 0.443 230 L N -0.872 120.304 121.223 -0.078 0.000 2.072 230 L HA -0.141 4.201 4.340 0.002 0.000 0.205 230 L C 2.561 179.397 176.870 -0.057 0.000 1.079 230 L CA 1.626 56.428 54.840 -0.063 0.000 0.752 230 L CB -0.444 41.579 42.059 -0.061 0.000 0.906 230 L HN 0.587 nan 8.230 nan 0.000 0.436 231 E N 0.046 120.208 120.200 -0.063 0.000 2.401 231 E HA -0.195 4.156 4.350 0.002 0.000 0.199 231 E C 1.170 177.741 176.600 -0.048 0.000 1.023 231 E CA 0.770 57.138 56.400 -0.054 0.000 0.859 231 E CB 0.351 30.015 29.700 -0.060 0.000 0.780 231 E HN 0.382 nan 8.360 nan 0.000 0.523 232 E N -1.019 119.150 120.200 -0.052 0.000 2.562 232 E HA 0.122 4.473 4.350 0.002 0.000 0.214 232 E C 0.737 177.311 176.600 -0.044 0.000 0.979 232 E CA 0.561 56.933 56.400 -0.046 0.000 1.002 232 E CB 1.260 30.930 29.700 -0.051 0.000 1.048 232 E HN 0.318 nan 8.360 nan 0.000 0.488 233 G N 2.150 110.922 108.800 -0.046 0.000 2.198 233 G HA2 -0.281 3.680 3.960 0.002 0.000 0.257 233 G HA3 -0.281 3.680 3.960 0.002 0.000 0.257 233 G C 0.229 175.101 174.900 -0.047 0.000 1.042 233 G CA 0.238 45.313 45.100 -0.042 0.000 0.791 233 G HN 0.181 nan 8.290 nan 0.000 0.502 234 L N 0.181 121.369 121.223 -0.059 0.000 2.426 234 L HA 0.257 4.598 4.340 0.002 0.000 0.271 234 L C 0.856 177.686 176.870 -0.065 0.000 1.169 234 L CA -0.560 54.239 54.840 -0.068 0.000 0.836 234 L CB 0.576 42.581 42.059 -0.090 0.000 1.112 234 L HN 0.122 nan 8.230 nan 0.000 0.465 235 D N 3.200 123.562 120.400 -0.064 0.000 2.489 235 D HA 0.026 4.668 4.640 0.002 0.000 0.237 235 D C 1.050 177.313 176.300 -0.062 0.000 1.212 235 D CA 0.178 54.145 54.000 -0.054 0.000 1.058 235 D CB 0.295 41.067 40.800 -0.047 0.000 1.098 235 D HN 0.407 nan 8.370 nan 0.000 0.509 236 L N 2.552 123.739 121.223 -0.059 0.000 2.651 236 L HA -0.121 4.220 4.340 0.002 0.000 0.236 236 L C 1.874 178.725 176.870 -0.031 0.000 1.173 236 L CA 0.439 55.245 54.840 -0.057 0.000 0.843 236 L CB -0.032 41.997 42.059 -0.050 0.000 0.964 236 L HN 0.448 nan 8.230 nan 0.000 0.454 237 L N -0.918 120.290 121.223 -0.026 0.000 2.388 237 L HA 0.096 4.437 4.340 0.002 0.000 0.209 237 L C 2.155 179.026 176.870 0.001 0.000 1.061 237 L CA 0.423 55.258 54.840 -0.009 0.000 0.834 237 L CB -0.027 42.025 42.059 -0.013 0.000 1.029 237 L HN 0.151 nan 8.230 nan 0.000 0.473 238 R N -0.013 120.480 120.500 -0.013 0.000 2.642 238 R HA 0.277 4.618 4.340 0.002 0.000 0.435 238 R C 0.285 176.567 176.300 -0.030 0.000 1.046 238 R CA -0.513 55.585 56.100 -0.004 0.000 1.103 238 R CB -0.910 29.387 30.300 -0.005 0.000 1.425 238 R HN 0.129 nan 8.270 nan 0.000 0.586 239 L N 2.602 123.783 121.223 -0.070 0.000 4.812 239 L HA -0.101 4.240 4.340 0.002 0.000 0.466 239 L C -1.849 174.953 176.870 -0.114 0.000 1.205 239 L CA 0.046 54.800 54.840 -0.142 0.000 0.681 239 L CB -0.398 41.482 42.059 -0.298 0.000 1.179 239 L HN 0.384 nan 8.230 nan 0.000 0.647 240 P HA -0.050 nan 4.420 nan 0.000 0.270 240 P C 0.756 178.018 177.300 -0.063 0.000 1.223 240 P CA -0.190 62.878 63.100 -0.054 0.000 0.785 240 P CB 0.637 32.313 31.700 -0.039 0.000 0.923 241 E N 0.450 120.626 120.200 -0.041 0.000 2.095 241 E HA -0.272 4.079 4.350 0.002 0.000 0.212 241 E C 1.706 178.285 176.600 -0.035 0.000 1.044 241 E CA 1.503 57.883 56.400 -0.032 0.000 0.857 241 E CB -0.385 29.307 29.700 -0.012 0.000 0.764 241 E HN 0.278 nan 8.360 nan 0.000 0.462 242 L N 1.437 122.642 121.223 -0.030 0.000 2.079 242 L HA -0.176 4.165 4.340 0.002 0.000 0.210 242 L C 1.619 178.463 176.870 -0.043 0.000 1.081 242 L CA 2.184 57.007 54.840 -0.028 0.000 0.752 242 L CB -0.568 41.478 42.059 -0.023 0.000 0.896 242 L HN 0.135 nan 8.230 nan 0.000 0.433 243 D N -0.896 119.467 120.400 -0.061 0.000 2.117 243 D HA -0.154 4.487 4.640 0.002 0.000 0.198 243 D C 2.313 178.548 176.300 -0.109 0.000 0.982 243 D CA 0.975 54.926 54.000 -0.082 0.000 0.828 243 D CB -0.095 40.649 40.800 -0.094 0.000 0.967 243 D HN 0.299 nan 8.370 nan 0.000 0.464 244 R N 0.555 120.979 120.500 -0.127 0.000 2.073 244 R HA -0.041 4.301 4.340 0.002 0.000 0.234 244 R C 2.185 178.437 176.300 -0.079 0.000 1.134 244 R CA 1.065 57.072 56.100 -0.155 0.000 0.952 244 R CB 0.088 30.296 30.300 -0.154 0.000 0.850 244 R HN 0.083 nan 8.270 nan 0.000 0.433 245 R N -0.337 120.137 120.500 -0.043 0.000 2.105 245 R HA -0.107 4.235 4.340 0.002 0.000 0.239 245 R C 2.293 178.584 176.300 -0.014 0.000 1.135 245 R CA 1.479 57.572 56.100 -0.010 0.000 0.967 245 R CB -0.338 29.962 30.300 0.000 0.000 0.861 245 R HN 0.111 nan 8.270 nan 0.000 0.442 246 V N 1.241 121.136 119.914 -0.031 0.000 2.295 246 V HA -0.234 3.887 4.120 0.002 0.000 0.246 246 V C 2.167 178.240 176.094 -0.036 0.000 1.049 246 V CA 1.607 63.889 62.300 -0.030 0.000 1.024 246 V CB -0.409 31.390 31.823 -0.039 0.000 0.648 246 V HN 0.236 nan 8.190 nan 0.000 0.447 247 L N -0.163 121.024 121.223 -0.060 0.000 2.017 247 L HA -0.127 4.214 4.340 0.002 0.000 0.208 247 L C 2.374 179.223 176.870 -0.036 0.000 1.073 247 L CA 1.932 56.731 54.840 -0.068 0.000 0.745 247 L CB -0.590 41.401 42.059 -0.113 0.000 0.894 247 L HN 0.131 nan 8.230 nan 0.000 0.432 248 V N -0.020 119.881 119.914 -0.021 0.000 2.287 248 V HA -0.323 3.799 4.120 0.002 0.000 0.248 248 V C 2.797 178.900 176.094 0.016 0.000 1.053 248 V CA 2.207 64.509 62.300 0.003 0.000 1.027 248 V CB -0.744 31.094 31.823 0.025 0.000 0.646 248 V HN 0.516 nan 8.190 nan 0.000 0.447 249 R N -0.498 120.015 120.500 0.022 0.000 2.083 249 R HA -0.190 4.151 4.340 0.002 0.000 0.237 249 R C 2.483 178.802 176.300 0.032 0.000 1.137 249 R CA 1.649 57.769 56.100 0.034 0.000 0.951 249 R CB -0.206 30.110 30.300 0.027 0.000 0.851 249 R HN 0.475 nan 8.270 nan 0.000 0.434 250 Q N 0.620 120.427 119.800 0.012 0.000 2.124 250 Q HA -0.183 4.158 4.340 0.002 0.000 0.202 250 Q C 2.221 178.238 176.000 0.029 0.000 0.977 250 Q CA 1.142 56.950 55.803 0.009 0.000 0.850 250 Q CB -0.350 28.373 28.738 -0.024 0.000 0.901 250 Q HN 0.433 nan 8.270 nan 0.000 0.429 251 L N 0.168 121.404 121.223 0.022 0.000 1.989 251 L HA -0.218 4.124 4.340 0.002 0.000 0.211 251 L C 2.334 179.311 176.870 0.177 0.000 1.071 251 L CA 1.162 56.040 54.840 0.063 0.000 0.749 251 L CB -0.336 41.774 42.059 0.086 0.000 0.890 251 L HN 0.227 nan 8.230 nan 0.000 0.431 252 L N -0.921 120.387 121.223 0.142 0.000 2.083 252 L HA -0.169 4.172 4.340 0.002 0.000 0.209 252 L C 2.568 179.528 176.870 0.149 0.000 1.083 252 L CA 1.252 56.188 54.840 0.162 0.000 0.752 252 L CB -1.098 41.020 42.059 0.099 0.000 0.899 252 L HN 0.380 nan 8.230 nan 0.000 0.433 253 G N -0.928 107.935 108.800 0.105 0.000 2.421 253 G HA2 -0.350 3.611 3.960 0.002 0.000 0.216 253 G HA3 -0.350 3.611 3.960 0.002 0.000 0.216 253 G C 1.467 176.411 174.900 0.073 0.000 1.171 253 G CA 0.833 45.979 45.100 0.076 0.000 0.775 253 G HN 0.357 nan 8.290 nan 0.000 0.543 254 Y N 0.711 120.971 120.300 -0.068 0.000 2.097 254 Y HA -0.104 4.447 4.550 0.002 0.000 0.282 254 Y C 2.387 178.213 175.900 -0.124 0.000 1.152 254 Y CA 1.717 59.721 58.100 -0.160 0.000 1.136 254 Y CB -0.390 37.872 38.460 -0.330 0.000 0.975 254 Y HN 0.142 nan 8.280 nan 0.000 0.498 255 F N -0.081 119.880 119.950 0.019 0.000 2.234 255 F HA -0.142 4.386 4.527 0.002 0.000 0.299 255 F C 2.306 178.051 175.800 -0.091 0.000 1.087 255 F CA 1.170 59.123 58.000 -0.079 0.000 1.340 255 F CB -0.684 38.368 39.000 0.085 0.000 1.031 255 F HN 0.079 nan 8.300 nan 0.000 0.500 256 I N -0.887 119.765 120.570 0.138 0.000 2.315 256 I HA -0.276 3.896 4.170 0.002 0.000 0.248 256 I C 2.223 178.344 176.117 0.008 0.000 1.117 256 I CA 1.410 62.754 61.300 0.073 0.000 1.404 256 I CB -0.650 37.391 38.000 0.067 0.000 1.071 256 I HN 0.084 nan 8.210 nan 0.000 0.419 257 T N 0.741 115.268 114.554 -0.046 0.000 2.737 257 T HA -0.121 4.230 4.350 0.002 0.000 0.265 257 T C 2.093 176.733 174.700 -0.099 0.000 1.038 257 T CA 1.361 63.417 62.100 -0.073 0.000 1.144 257 T CB -0.304 68.509 68.868 -0.092 0.000 0.866 257 T HN 0.456 nan 8.240 nan 0.000 0.434 258 A N 1.778 124.485 122.820 -0.189 0.000 1.873 258 A HA -0.026 4.295 4.320 0.002 0.000 0.218 258 A C 2.670 180.225 177.584 -0.048 0.000 1.193 258 A CA 2.246 54.184 52.037 -0.166 0.000 0.629 258 A CB -1.337 17.511 19.000 -0.253 0.000 0.826 258 A HN 0.523 nan 8.150 nan 0.000 0.447 259 A N -0.238 122.579 122.820 -0.006 0.000 1.908 259 A HA -0.143 4.178 4.320 0.002 0.000 0.218 259 A C 2.151 179.743 177.584 0.014 0.000 1.181 259 A CA 1.715 53.762 52.037 0.017 0.000 0.627 259 A CB -0.683 18.338 19.000 0.034 0.000 0.818 259 A HN 0.550 nan 8.150 nan 0.000 0.445 260 I N -0.724 119.852 120.570 0.009 0.000 2.226 260 I HA -0.198 3.973 4.170 0.002 0.000 0.245 260 I C 2.532 178.672 176.117 0.038 0.000 1.100 260 I CA 1.249 62.560 61.300 0.019 0.000 1.374 260 I CB -0.398 37.603 38.000 0.002 0.000 1.057 260 I HN 0.286 nan 8.210 nan 0.000 0.413 261 E N 1.098 121.310 120.200 0.021 0.000 2.028 261 E HA -0.128 4.223 4.350 0.002 0.000 0.190 261 E C 2.364 179.004 176.600 0.067 0.000 0.984 261 E CA 1.471 57.900 56.400 0.049 0.000 0.800 261 E CB -0.408 29.298 29.700 0.010 0.000 0.758 261 E HN 0.439 nan 8.360 nan 0.000 0.448 262 A N 0.731 123.566 122.820 0.023 0.000 1.933 262 A HA -0.146 4.176 4.320 0.002 0.000 0.218 262 A C 2.425 180.007 177.584 -0.004 0.000 1.175 262 A CA 2.080 54.122 52.037 0.009 0.000 0.628 262 A CB -0.824 18.178 19.000 0.004 0.000 0.814 262 A HN 0.243 nan 8.150 nan 0.000 0.444 263 T N -1.452 113.105 114.554 0.004 0.000 2.857 263 T HA -0.110 4.241 4.350 0.002 0.000 0.266 263 T C 1.843 176.518 174.700 -0.042 0.000 1.048 263 T CA 1.201 63.284 62.100 -0.028 0.000 1.139 263 T CB -0.443 68.414 68.868 -0.018 0.000 0.874 263 T HN 0.734 nan 8.240 nan 0.000 0.455 264 H N 1.775 120.806 119.070 -0.065 0.000 2.321 264 H HA -0.031 4.526 4.556 0.002 0.000 0.300 264 H C 2.387 177.672 175.328 -0.071 0.000 1.087 264 H CA 1.320 57.330 56.048 -0.062 0.000 1.319 264 H CB 0.064 29.816 29.762 -0.018 0.000 1.379 264 H HN 0.250 nan 8.280 nan 0.000 0.501 265 R N 0.103 120.490 120.500 -0.189 0.000 2.080 265 R HA -0.099 4.243 4.340 0.002 0.000 0.236 265 R C 2.748 178.926 176.300 -0.204 0.000 1.137 265 R CA 0.960 56.926 56.100 -0.223 0.000 0.943 265 R CB -0.171 30.082 30.300 -0.079 0.000 0.846 265 R HN 0.325 nan 8.270 nan 0.000 0.431 266 R N 0.496 120.907 120.500 -0.148 0.000 2.094 266 R HA -0.139 4.202 4.340 0.002 0.000 0.239 266 R C 2.377 178.550 176.300 -0.211 0.000 1.137 266 R CA 1.554 57.570 56.100 -0.140 0.000 0.943 266 R CB -0.943 29.290 30.300 -0.111 0.000 0.850 266 R HN 0.127 nan 8.270 nan 0.000 0.433 267 V N 1.684 121.432 119.914 -0.277 0.000 2.324 267 V HA -0.238 3.883 4.120 0.002 0.000 0.250 267 V C 2.450 178.369 176.094 -0.292 0.000 1.060 267 V CA 1.814 63.892 62.300 -0.370 0.000 1.042 267 V CB -0.426 31.059 31.823 -0.563 0.000 0.650 267 V HN 0.281 nan 8.190 nan 0.000 0.450 268 E N 0.042 120.062 120.200 -0.301 0.000 2.051 268 E HA -0.209 4.142 4.350 0.002 0.000 0.192 268 E C 2.227 178.739 176.600 -0.146 0.000 0.991 268 E CA 1.345 57.611 56.400 -0.222 0.000 0.799 268 E CB -0.305 29.211 29.700 -0.307 0.000 0.748 268 E HN 0.714 nan 8.360 nan 0.000 0.449 269 E N 0.831 120.945 120.200 -0.144 0.000 2.049 269 E HA -0.222 4.129 4.350 0.002 0.000 0.198 269 E C 2.062 178.621 176.600 -0.069 0.000 1.007 269 E CA 1.382 57.730 56.400 -0.086 0.000 0.809 269 E CB -0.222 29.435 29.700 -0.071 0.000 0.749 269 E HN 0.231 nan 8.360 nan 0.000 0.450 270 A N 0.192 122.943 122.820 -0.115 0.000 1.917 270 A HA -0.118 4.203 4.320 0.002 0.000 0.219 270 A C 2.156 179.694 177.584 -0.077 0.000 1.182 270 A CA 1.937 53.895 52.037 -0.132 0.000 0.633 270 A CB -0.996 17.750 19.000 -0.424 0.000 0.819 270 A HN 0.482 nan 8.150 nan 0.000 0.448 271 G N -1.858 106.891 108.800 -0.085 0.000 2.162 271 G HA2 -0.161 3.800 3.960 0.002 0.000 0.260 271 G HA3 -0.161 3.800 3.960 0.002 0.000 0.260 271 G C 0.446 175.338 174.900 -0.014 0.000 0.976 271 G CA 0.721 45.802 45.100 -0.031 0.000 0.655 271 G HN 1.816 nan 8.290 nan 0.000 0.533 272 V N -1.870 118.008 119.914 -0.060 0.000 2.599 272 V HA 0.522 4.643 4.120 0.002 0.000 0.300 272 V C 0.826 176.964 176.094 0.072 0.000 1.034 272 V CA 0.334 62.625 62.300 -0.015 0.000 1.115 272 V CB 1.444 33.216 31.823 -0.086 0.000 0.934 272 V HN 0.239 nan 8.190 nan 0.000 0.485 273 Q N 2.853 122.703 119.800 0.084 0.000 2.155 273 Q HA 0.319 4.660 4.340 0.002 0.000 0.220 273 Q C 0.294 176.348 176.000 0.090 0.000 0.819 273 Q CA 0.475 56.339 55.803 0.101 0.000 1.032 273 Q CB 0.909 29.683 28.738 0.061 0.000 1.151 273 Q HN 1.151 nan 8.270 nan 0.000 0.487 274 S N -2.727 113.038 115.700 0.109 0.000 2.611 274 S HA 0.642 5.114 4.470 0.002 0.000 0.268 274 S C 0.428 175.092 174.600 0.107 0.000 1.156 274 S CA -0.240 58.013 58.200 0.088 0.000 0.817 274 S CB 0.988 64.221 63.200 0.056 0.000 1.122 274 S HN -0.025 nan 8.310 nan 0.000 0.466 275 A N 0.920 123.795 122.820 0.092 0.000 1.898 275 A HA 0.015 4.336 4.320 0.002 0.000 0.216 275 A C 1.942 179.573 177.584 0.078 0.000 1.181 275 A CA 1.486 53.578 52.037 0.093 0.000 0.620 275 A CB -0.958 18.092 19.000 0.082 0.000 0.819 275 A HN 0.816 nan 8.150 nan 0.000 0.442 276 E N 0.101 120.341 120.200 0.066 0.000 2.085 276 E HA -0.198 4.153 4.350 0.002 0.000 0.194 276 E C 2.329 178.969 176.600 0.067 0.000 0.994 276 E CA 1.308 57.743 56.400 0.059 0.000 0.801 276 E CB -0.570 29.155 29.700 0.042 0.000 0.743 276 E HN 0.580 nan 8.360 nan 0.000 0.453 277 A N 0.836 123.697 122.820 0.068 0.000 1.902 277 A HA -0.146 4.175 4.320 0.002 0.000 0.217 277 A C 2.615 180.248 177.584 0.082 0.000 1.181 277 A CA 1.554 53.636 52.037 0.075 0.000 0.623 277 A CB -0.611 18.427 19.000 0.063 0.000 0.818 277 A HN 0.148 nan 8.150 nan 0.000 0.443 278 V N 0.127 120.079 119.914 0.063 0.000 2.343 278 V HA -0.271 3.850 4.120 0.002 0.000 0.247 278 V C 2.604 178.750 176.094 0.087 0.000 1.051 278 V CA 2.202 64.531 62.300 0.048 0.000 1.036 278 V CB -0.896 30.949 31.823 0.038 0.000 0.654 278 V HN 0.537 nan 8.190 nan 0.000 0.451 279 R N 0.375 120.927 120.500 0.086 0.000 2.081 279 R HA -0.076 4.265 4.340 0.002 0.000 0.235 279 R C 2.255 178.611 176.300 0.094 0.000 1.131 279 R CA 1.323 57.478 56.100 0.091 0.000 0.960 279 R CB -0.314 30.045 30.300 0.098 0.000 0.856 279 R HN 0.473 nan 8.270 nan 0.000 0.436 280 R N -0.086 120.470 120.500 0.093 0.000 2.310 280 R HA 0.050 4.391 4.340 0.002 0.000 0.202 280 R C 0.115 176.465 176.300 0.084 0.000 0.933 280 R CA -0.105 56.040 56.100 0.076 0.000 1.054 280 R CB -0.178 30.158 30.300 0.060 0.000 0.985 280 R HN 0.212 nan 8.270 nan 0.000 0.489 281 H N 1.437 120.516 119.070 0.016 0.000 2.815 281 H HA 0.067 4.625 4.556 0.002 0.000 0.350 281 H C -1.553 173.777 175.328 0.005 0.000 1.080 281 H CA -1.614 54.437 56.048 0.006 0.000 1.433 281 H CB 1.181 30.942 29.762 -0.003 0.000 1.432 281 H HN -0.208 nan 8.280 nan 0.000 0.592 282 P HA -0.170 nan 4.420 nan 0.000 0.217 282 P C -0.473 176.749 177.300 -0.131 0.000 1.151 282 P CA 1.902 64.830 63.100 -0.287 0.000 0.849 282 P CB 0.306 31.788 31.700 -0.363 0.000 0.787 283 S N -3.155 112.516 115.700 -0.049 0.000 2.732 283 S HA 0.526 4.997 4.470 0.002 0.000 0.293 283 S C -0.431 174.265 174.600 0.160 0.000 1.159 283 S CA -1.151 57.095 58.200 0.076 0.000 0.847 283 S CB 1.698 64.936 63.200 0.063 0.000 1.169 283 S HN -0.231 nan 8.310 nan 0.000 0.501 284 R N -0.018 120.533 120.500 0.085 0.000 2.543 284 R HA 0.386 4.727 4.340 0.002 0.000 0.277 284 R C 0.428 176.753 176.300 0.040 0.000 1.074 284 R CA -0.166 55.967 56.100 0.056 0.000 1.076 284 R CB 0.261 30.578 30.300 0.029 0.000 0.993 284 R HN 0.632 nan 8.270 nan 0.000 0.459 285 L N 1.864 123.082 121.223 -0.008 0.000 2.316 285 L HA 0.220 4.561 4.340 0.002 0.000 0.207 285 L C 0.765 177.601 176.870 -0.056 0.000 1.070 285 L CA 0.011 54.812 54.840 -0.065 0.000 0.820 285 L CB 0.008 41.970 42.059 -0.161 0.000 0.992 285 L HN 0.659 nan 8.230 nan 0.000 0.466 286 A N 1.068 123.865 122.820 -0.039 0.000 2.545 286 A HA 0.466 4.788 4.320 0.002 0.000 0.253 286 A C 0.145 177.723 177.584 -0.010 0.000 1.074 286 A CA 0.688 52.711 52.037 -0.024 0.000 0.760 286 A CB -0.284 18.710 19.000 -0.009 0.000 1.005 286 A HN 0.325 nan 8.150 nan 0.000 0.506 287 A N 2.009 124.825 122.820 -0.007 0.000 2.594 287 A HA 0.670 4.991 4.320 0.002 0.000 0.291 287 A C 0.177 177.770 177.584 0.015 0.000 1.105 287 A CA -0.534 51.506 52.037 0.005 0.000 0.694 287 A CB 0.587 19.588 19.000 0.001 0.000 1.291 287 A HN 0.809 nan 8.150 nan 0.000 0.410 288 L N 1.020 122.262 121.223 0.031 0.000 2.590 288 L HA 0.448 4.790 4.340 0.002 0.000 0.227 288 L C 1.128 178.024 176.870 0.043 0.000 1.099 288 L CA 0.779 55.651 54.840 0.053 0.000 0.872 288 L CB 0.104 42.226 42.059 0.104 0.000 1.088 288 L HN 1.391 nan 8.230 nan 0.000 0.479 289 G N 0.429 109.251 108.800 0.037 0.000 2.705 289 G HA2 -0.191 3.770 3.960 0.002 0.000 0.686 289 G HA3 -0.191 3.770 3.960 0.002 0.000 0.686 289 G C 0.423 175.354 174.900 0.053 0.000 1.285 289 G CA -0.406 44.713 45.100 0.032 0.000 0.800 289 G HN 0.072 nan 8.290 nan 0.000 0.611 290 E N 0.209 120.436 120.200 0.045 0.000 2.170 290 E HA -0.297 4.054 4.350 0.002 0.000 0.229 290 E C 2.054 178.700 176.600 0.077 0.000 1.074 290 E CA 2.159 58.591 56.400 0.053 0.000 0.930 290 E CB -0.179 29.546 29.700 0.041 0.000 0.806 290 E HN 0.796 nan 8.360 nan 0.000 0.478 291 E N -0.065 120.185 120.200 0.083 0.000 2.031 291 E HA -0.162 4.189 4.350 0.002 0.000 0.193 291 E C 2.036 178.752 176.600 0.193 0.000 0.994 291 E CA 1.095 57.566 56.400 0.117 0.000 0.800 291 E CB -0.081 29.686 29.700 0.112 0.000 0.752 291 E HN 0.226 nan 8.360 nan 0.000 0.447 292 A N 1.142 124.086 122.820 0.207 0.000 1.898 292 A HA -0.224 4.098 4.320 0.002 0.000 0.216 292 A C 2.030 179.853 177.584 0.398 0.000 1.181 292 A CA 1.657 53.913 52.037 0.366 0.000 0.620 292 A CB -0.617 18.512 19.000 0.215 0.000 0.819 292 A HN 0.449 nan 8.150 nan 0.000 0.442 293 E N 0.023 120.354 120.200 0.218 0.000 2.130 293 E HA -0.268 4.083 4.350 0.002 0.000 0.196 293 E C 2.081 178.774 176.600 0.155 0.000 0.998 293 E CA 1.631 58.121 56.400 0.151 0.000 0.806 293 E CB -0.097 29.657 29.700 0.090 0.000 0.738 293 E HN 0.607 nan 8.360 nan 0.000 0.459 294 K N 0.227 120.722 120.400 0.159 0.000 2.001 294 K HA -0.120 4.201 4.320 0.002 0.000 0.208 294 K C 2.075 178.774 176.600 0.165 0.000 1.048 294 K CA 1.202 57.568 56.287 0.132 0.000 0.932 294 K CB -0.241 32.321 32.500 0.103 0.000 0.715 294 K HN 0.149 nan 8.250 nan 0.000 0.437 295 A N 1.792 124.753 122.820 0.234 0.000 1.902 295 A HA -0.150 4.171 4.320 0.002 0.000 0.217 295 A C 2.141 179.942 177.584 0.361 0.000 1.181 295 A CA 1.338 53.527 52.037 0.254 0.000 0.623 295 A CB -0.646 18.477 19.000 0.206 0.000 0.818 295 A HN 0.397 nan 8.150 nan 0.000 0.443 296 L N -0.443 121.048 121.223 0.447 0.000 2.042 296 L HA -0.168 4.173 4.340 0.002 0.000 0.210 296 L C 2.214 179.145 176.870 0.103 0.000 1.076 296 L CA 2.453 57.387 54.840 0.156 0.000 0.749 296 L CB -0.549 41.423 42.059 -0.145 0.000 0.893 296 L HN 0.250 nan 8.230 nan 0.000 0.432 297 K N -0.285 120.178 120.400 0.105 0.000 2.009 297 K HA -0.103 4.218 4.320 0.002 0.000 0.210 297 K C 2.133 178.791 176.600 0.096 0.000 1.049 297 K CA 1.798 58.132 56.287 0.079 0.000 0.929 297 K CB -0.909 31.635 32.500 0.073 0.000 0.714 297 K HN 0.467 nan 8.250 nan 0.000 0.440 298 A N 0.638 123.524 122.820 0.111 0.000 1.892 298 A HA -0.191 4.130 4.320 0.002 0.000 0.218 298 A C 2.117 179.791 177.584 0.151 0.000 1.188 298 A CA 1.775 53.879 52.037 0.110 0.000 0.631 298 A CB -0.786 18.267 19.000 0.087 0.000 0.822 298 A HN 0.291 nan 8.150 nan 0.000 0.447 299 L N -0.138 121.187 121.223 0.170 0.000 1.994 299 L HA -0.138 4.204 4.340 0.002 0.000 0.208 299 L C 2.280 179.273 176.870 0.205 0.000 1.071 299 L CA 2.795 57.767 54.840 0.221 0.000 0.745 299 L CB -0.785 41.413 42.059 0.232 0.000 0.892 299 L HN 0.447 nan 8.230 nan 0.000 0.431 300 K N -0.708 119.768 120.400 0.127 0.000 2.063 300 K HA -0.177 4.145 4.320 0.002 0.000 0.208 300 K C 2.021 178.660 176.600 0.065 0.000 1.048 300 K CA 1.545 57.880 56.287 0.081 0.000 0.928 300 K CB -0.353 32.177 32.500 0.051 0.000 0.713 300 K HN 0.486 nan 8.250 nan 0.000 0.442 301 A N 0.562 123.434 122.820 0.086 0.000 1.883 301 A HA -0.186 4.135 4.320 0.002 0.000 0.217 301 A C 2.051 179.677 177.584 0.069 0.000 1.186 301 A CA 1.644 53.725 52.037 0.073 0.000 0.624 301 A CB -0.910 18.142 19.000 0.086 0.000 0.822 301 A HN 0.553 nan 8.150 nan 0.000 0.444 302 F N 0.722 120.669 119.950 -0.005 0.000 2.102 302 F HA 0.019 4.547 4.527 0.002 0.000 0.298 302 F C 0.943 176.705 175.800 -0.063 0.000 1.105 302 F CA 0.576 58.564 58.000 -0.020 0.000 1.239 302 F CB -0.547 38.449 39.000 -0.006 0.000 0.991 302 F HN 0.123 nan 8.300 nan 0.000 0.474 306 R N -0.029 120.255 120.500 -0.361 0.000 2.254 306 R HA 0.293 4.634 4.340 0.002 0.000 0.195 306 R C 1.533 177.750 176.300 -0.138 0.000 0.957 306 R CA 0.836 56.752 56.100 -0.307 0.000 1.024 306 R CB -0.214 29.762 30.300 -0.540 0.000 0.952 306 R HN 0.248 nan 8.270 nan 0.000 0.484 307 F N 0.062 119.743 119.950 -0.449 0.000 2.484 307 F HA 0.088 4.616 4.527 0.002 0.000 0.268 307 F C 1.654 177.385 175.800 -0.115 0.000 0.965 307 F CA 0.006 57.802 58.000 -0.339 0.000 1.119 307 F CB -0.813 37.855 39.000 -0.554 0.000 1.153 307 F HN -0.243 nan 8.300 nan 0.000 0.689 308 Y N 1.087 121.272 120.300 -0.192 0.000 2.151 308 Y HA -0.125 4.426 4.550 0.002 0.000 0.284 308 Y C 2.292 178.091 175.900 -0.168 0.000 1.166 308 Y CA 1.426 59.344 58.100 -0.303 0.000 1.163 308 Y CB -1.235 37.096 38.460 -0.217 0.000 0.974 308 Y HN 0.087 nan 8.280 nan 0.000 0.511 309 R N -0.231 120.299 120.500 0.049 0.000 2.356 309 R HA 0.001 4.342 4.340 0.002 0.000 0.234 309 R C 0.283 176.601 176.300 0.030 0.000 0.929 309 R CA -0.160 55.951 56.100 0.019 0.000 1.084 309 R CB -0.275 30.023 30.300 -0.005 0.000 1.105 309 R HN 0.231 nan 8.270 nan 0.000 0.515 310 H N 1.566 120.613 119.070 -0.038 0.000 2.848 310 H HA 0.045 4.603 4.556 0.002 0.000 0.341 310 H C -1.785 173.533 175.328 -0.017 0.000 1.060 310 H CA -1.812 54.228 56.048 -0.014 0.000 1.444 310 H CB 1.547 31.328 29.762 0.031 0.000 1.446 310 H HN -0.161 nan 8.280 nan 0.000 0.583 311 P HA -0.215 nan 4.420 nan 0.000 0.217 311 P C 1.198 178.605 177.300 0.178 0.000 1.162 311 P CA 1.971 65.115 63.100 0.073 0.000 0.901 311 P CB 0.269 31.951 31.700 -0.029 0.000 0.793 312 E N -0.818 119.596 120.200 0.356 0.000 2.058 312 E HA -0.142 4.209 4.350 0.002 0.000 0.194 312 E C 2.015 178.639 176.600 0.039 0.000 0.997 312 E CA 1.186 57.673 56.400 0.145 0.000 0.801 312 E CB -0.681 29.073 29.700 0.090 0.000 0.746 312 E HN 0.036 nan 8.360 nan 0.000 0.450 313 V N 1.567 121.500 119.914 0.032 0.000 2.332 313 V HA -0.257 3.864 4.120 0.002 0.000 0.248 313 V C 2.302 178.345 176.094 -0.085 0.000 1.055 313 V CA 1.480 63.728 62.300 -0.086 0.000 1.038 313 V CB -0.385 31.358 31.823 -0.134 0.000 0.651 313 V HN 0.285 nan 8.190 nan 0.000 0.450 314 L N -0.317 120.888 121.223 -0.030 0.000 2.275 314 L HA -0.134 4.208 4.340 0.002 0.000 0.215 314 L C 2.686 179.516 176.870 -0.068 0.000 1.119 314 L CA 1.344 56.152 54.840 -0.053 0.000 0.790 314 L CB -0.578 41.463 42.059 -0.030 0.000 0.919 314 L HN 0.327 nan 8.230 nan 0.000 0.443 315 R N 0.399 120.869 120.500 -0.050 0.000 2.075 315 R HA -0.150 4.191 4.340 0.002 0.000 0.232 315 R C 1.906 178.143 176.300 -0.105 0.000 1.126 315 R CA 1.306 57.370 56.100 -0.061 0.000 0.963 315 R CB 0.033 30.315 30.300 -0.031 0.000 0.858 315 R HN 0.287 nan 8.270 nan 0.000 0.435 316 E N 0.676 120.802 120.200 -0.124 0.000 2.208 316 E HA -0.181 4.170 4.350 0.002 0.000 0.193 316 E C 1.939 178.404 176.600 -0.225 0.000 0.988 316 E CA 0.681 56.975 56.400 -0.176 0.000 0.828 316 E CB -0.327 29.261 29.700 -0.187 0.000 0.763 316 E HN 0.412 nan 8.360 nan 0.000 0.478 317 R N 1.478 121.863 120.500 -0.191 0.000 2.073 317 R HA -0.115 4.226 4.340 0.002 0.000 0.234 317 R C 2.401 178.572 176.300 -0.214 0.000 1.134 317 R CA 1.460 57.440 56.100 -0.199 0.000 0.952 317 R CB -0.148 30.061 30.300 -0.151 0.000 0.850 317 R HN 0.027 nan 8.270 nan 0.000 0.433 318 R N 0.898 121.294 120.500 -0.173 0.000 2.094 318 R HA -0.165 4.176 4.340 0.002 0.000 0.239 318 R C 2.048 178.218 176.300 -0.217 0.000 1.137 318 R CA 2.227 58.231 56.100 -0.161 0.000 0.943 318 R CB -0.134 30.095 30.300 -0.118 0.000 0.850 318 R HN 0.243 nan 8.270 nan 0.000 0.433 319 K N -0.187 120.064 120.400 -0.249 0.000 2.097 319 K HA -0.113 4.208 4.320 0.002 0.000 0.206 319 K C 2.127 178.428 176.600 -0.498 0.000 1.049 319 K CA 1.293 57.388 56.287 -0.319 0.000 0.933 319 K CB -0.139 32.197 32.500 -0.274 0.000 0.717 319 K HN 0.275 nan 8.250 nan 0.000 0.442 320 A N 1.974 124.421 122.820 -0.622 0.000 1.873 320 A HA -0.200 4.121 4.320 0.002 0.000 0.215 320 A C 1.950 179.181 177.584 -0.588 0.000 1.186 320 A CA 1.420 52.827 52.037 -1.049 0.000 0.616 320 A CB -0.432 17.958 19.000 -1.018 0.000 0.823 320 A HN 0.293 nan 8.150 nan 0.000 0.442 321 E N -0.195 119.793 120.200 -0.354 0.000 2.130 321 E HA -0.205 4.146 4.350 0.002 0.000 0.196 321 E C 2.231 178.715 176.600 -0.194 0.000 0.998 321 E CA 1.132 57.406 56.400 -0.210 0.000 0.806 321 E CB -0.311 29.294 29.700 -0.158 0.000 0.738 321 E HN 0.635 nan 8.360 nan 0.000 0.459 322 A N 0.759 123.428 122.820 -0.251 0.000 1.930 322 A HA -0.100 4.221 4.320 0.002 0.000 0.217 322 A C 2.472 179.849 177.584 -0.345 0.000 1.175 322 A CA 0.925 52.821 52.037 -0.235 0.000 0.627 322 A CB -0.393 18.458 19.000 -0.247 0.000 0.815 322 A HN 0.108 nan 8.150 nan 0.000 0.443 323 V N 0.240 119.850 119.914 -0.506 0.000 2.307 323 V HA -0.217 3.904 4.120 0.002 0.000 0.245 323 V C 2.549 178.629 176.094 -0.023 0.000 1.045 323 V CA 1.830 63.835 62.300 -0.491 0.000 1.024 323 V CB -0.704 30.925 31.823 -0.322 0.000 0.651 323 V HN 0.564 nan 8.190 nan 0.000 0.449 324 L N -0.384 120.853 121.223 0.024 0.000 2.093 324 L HA -0.170 4.172 4.340 0.002 0.000 0.208 324 L C 2.530 179.465 176.870 0.108 0.000 1.085 324 L CA 1.653 56.562 54.840 0.115 0.000 0.755 324 L CB -0.667 41.446 42.059 0.090 0.000 0.904 324 L HN 0.399 nan 8.230 nan 0.000 0.435 325 E N 0.071 120.299 120.200 0.047 0.000 2.152 325 E HA -0.120 4.231 4.350 0.002 0.000 0.192 325 E C 2.221 178.915 176.600 0.156 0.000 0.983 325 E CA 0.873 57.319 56.400 0.077 0.000 0.818 325 E CB -0.159 29.551 29.700 0.016 0.000 0.758 325 E HN 0.545 nan 8.360 nan 0.000 0.467 326 G N 1.251 110.167 108.800 0.193 0.000 2.394 326 G HA2 -0.193 3.769 3.960 0.002 0.000 0.214 326 G HA3 -0.193 3.769 3.960 0.002 0.000 0.214 326 G C 1.587 176.565 174.900 0.129 0.000 1.176 326 G CA 0.236 45.490 45.100 0.256 0.000 0.786 326 G HN 0.061 nan 8.290 nan 0.000 0.533 327 L N -0.794 120.521 121.223 0.153 0.000 2.056 327 L HA 0.033 4.375 4.340 0.002 0.000 0.207 327 L C 2.558 179.414 176.870 -0.023 0.000 1.078 327 L CA 0.950 55.761 54.840 -0.048 0.000 0.749 327 L CB -0.433 41.716 42.059 0.151 0.000 0.901 327 L HN 0.230 nan 8.230 nan 0.000 0.433 328 F N 0.823 120.789 119.950 0.027 0.000 2.102 328 F HA -0.215 4.313 4.527 0.002 0.000 0.298 328 F C 2.458 178.270 175.800 0.018 0.000 1.105 328 F CA 1.344 59.378 58.000 0.057 0.000 1.239 328 F CB -0.190 38.829 39.000 0.032 0.000 0.991 328 F HN -0.012 nan 8.300 nan 0.000 0.474 329 A N 0.319 123.258 122.820 0.198 0.000 1.902 329 A HA -0.050 4.271 4.320 0.002 0.000 0.217 329 A C 2.391 179.947 177.584 -0.047 0.000 1.181 329 A CA 1.719 53.805 52.037 0.081 0.000 0.623 329 A CB -1.544 17.524 19.000 0.112 0.000 0.818 329 A HN 0.504 nan 8.150 nan 0.000 0.443 330 A N -0.936 121.837 122.820 -0.079 0.000 1.845 330 A HA -0.090 4.231 4.320 0.002 0.000 0.215 330 A C 2.048 179.626 177.584 -0.010 0.000 1.195 330 A CA 1.679 53.675 52.037 -0.069 0.000 0.616 330 A CB -0.931 17.890 19.000 -0.298 0.000 0.832 330 A HN 0.561 nan 8.150 nan 0.000 0.443 331 Y N -0.014 120.303 120.300 0.028 0.000 2.421 331 Y HA -0.040 4.512 4.550 0.002 0.000 0.292 331 Y C 2.833 178.646 175.900 -0.144 0.000 1.136 331 Y CA 1.066 59.155 58.100 -0.019 0.000 1.255 331 Y CB -1.258 37.206 38.460 0.007 0.000 0.991 331 Y HN 0.266 nan 8.280 nan 0.000 0.552 332 T N -0.734 113.733 114.554 -0.145 0.000 2.937 332 T HA -0.021 4.331 4.350 0.002 0.000 0.260 332 T C 2.012 176.575 174.700 -0.228 0.000 1.051 332 T CA 0.840 62.773 62.100 -0.279 0.000 1.141 332 T CB 0.095 68.642 68.868 -0.535 0.000 0.879 332 T HN 0.228 nan 8.240 nan 0.000 0.459 333 R N -0.522 119.807 120.500 -0.286 0.000 2.161 333 R HA 0.075 4.416 4.340 0.002 0.000 0.213 333 R C -0.297 175.505 176.300 -0.830 0.000 1.055 333 R CA 0.760 56.521 56.100 -0.565 0.000 0.996 333 R CB 0.252 30.128 30.300 -0.706 0.000 0.901 333 R HN 0.368 nan 8.270 nan 0.000 0.456 334 Y N -1.435 118.863 120.300 -0.005 0.000 2.563 334 Y HA 0.299 4.851 4.550 0.002 0.000 0.351 334 Y C -2.159 173.771 175.900 0.049 0.000 1.087 334 Y CA -2.596 55.514 58.100 0.016 0.000 1.272 334 Y CB 1.556 40.025 38.460 0.016 0.000 1.095 334 Y HN -0.108 nan 8.280 nan 0.000 0.620 335 P HA -0.193 nan 4.420 nan 0.000 0.222 335 P C 1.440 178.775 177.300 0.059 0.000 1.147 335 P CA 1.469 64.604 63.100 0.058 0.000 0.790 335 P CB 0.396 32.096 31.700 -0.001 0.000 0.780 336 E N 0.177 120.431 120.200 0.090 0.000 2.409 336 E HA -0.134 4.217 4.350 0.002 0.000 0.198 336 E C 1.533 178.172 176.600 0.065 0.000 1.024 336 E CA 0.883 57.318 56.400 0.059 0.000 0.861 336 E CB -1.008 28.732 29.700 0.066 0.000 0.788 336 E HN 0.323 nan 8.360 nan 0.000 0.521 337 L N 0.567 121.872 121.223 0.137 0.000 2.492 337 L HA 0.157 4.498 4.340 0.002 0.000 0.223 337 L C 1.237 178.168 176.870 0.101 0.000 1.132 337 L CA -0.028 54.914 54.840 0.171 0.000 0.850 337 L CB -0.034 42.206 42.059 0.302 0.000 0.966 337 L HN 0.052 nan 8.230 nan 0.000 0.454 338 L N 0.258 121.451 121.223 -0.049 0.000 2.436 338 L HA 0.191 4.533 4.340 0.002 0.000 0.265 338 L C -1.946 174.769 176.870 -0.258 0.000 1.168 338 L CA -1.842 52.798 54.840 -0.333 0.000 0.815 338 L CB 0.055 41.868 42.059 -0.409 0.000 1.109 338 L HN -0.227 nan 8.230 nan 0.000 0.462 339 P HA 0.056 nan 4.420 nan 0.000 0.268 339 P C 0.050 177.232 177.300 -0.196 0.000 1.208 339 P CA -0.019 62.951 63.100 -0.216 0.000 0.777 339 P CB 0.505 32.056 31.700 -0.248 0.000 0.875 340 R N 1.712 122.141 120.500 -0.120 0.000 2.127 340 R HA -0.189 4.152 4.340 0.002 0.000 0.238 340 R C 1.914 178.149 176.300 -0.109 0.000 1.134 340 R CA 1.666 57.708 56.100 -0.097 0.000 0.975 340 R CB -0.273 29.990 30.300 -0.063 0.000 0.865 340 R HN 0.656 nan 8.270 nan 0.000 0.447 341 E N 0.037 120.165 120.200 -0.120 0.000 2.153 341 E HA -0.137 4.214 4.350 0.002 0.000 0.194 341 E C 1.798 178.312 176.600 -0.144 0.000 0.988 341 E CA 1.321 57.653 56.400 -0.113 0.000 0.811 341 E CB -0.106 29.533 29.700 -0.100 0.000 0.746 341 E HN 0.150 nan 8.360 nan 0.000 0.466 342 V N 1.585 121.363 119.914 -0.227 0.000 2.379 342 V HA -0.194 3.927 4.120 0.002 0.000 0.243 342 V C 2.376 178.359 176.094 -0.185 0.000 1.035 342 V CA 1.611 63.754 62.300 -0.262 0.000 1.035 342 V CB -0.580 30.927 31.823 -0.526 0.000 0.673 342 V HN 0.184 nan 8.190 nan 0.000 0.457 343 Q N 0.343 120.036 119.800 -0.180 0.000 2.152 343 Q HA -0.236 4.106 4.340 0.002 0.000 0.206 343 Q C 2.316 178.269 176.000 -0.078 0.000 0.985 343 Q CA 1.862 57.596 55.803 -0.116 0.000 0.863 343 Q CB -0.434 28.246 28.738 -0.096 0.000 0.904 343 Q HN 0.674 nan 8.270 nan 0.000 0.422 344 A N 0.977 123.751 122.820 -0.078 0.000 2.067 344 A HA -0.155 4.166 4.320 0.002 0.000 0.219 344 A C 1.674 179.233 177.584 -0.041 0.000 1.158 344 A CA 1.144 53.149 52.037 -0.053 0.000 0.661 344 A CB -0.076 18.892 19.000 -0.053 0.000 0.801 344 A HN 0.177 nan 8.150 nan 0.000 0.452 345 K N -0.497 119.875 120.400 -0.048 0.000 2.400 345 K HA 0.279 4.600 4.320 0.002 0.000 0.194 345 K C 1.331 177.929 176.600 -0.003 0.000 1.033 345 K CA 0.197 56.470 56.287 -0.023 0.000 1.021 345 K CB -0.040 32.445 32.500 -0.025 0.000 0.808 345 K HN 0.477 nan 8.250 nan 0.000 0.505 346 I N 1.676 122.235 120.570 -0.018 0.000 2.208 346 I HA -0.224 3.947 4.170 0.002 0.000 0.245 346 I C -0.944 175.179 176.117 0.010 0.000 1.097 346 I CA 1.321 62.616 61.300 -0.007 0.000 1.363 346 I CB -1.119 36.866 38.000 -0.025 0.000 1.051 346 I HN 0.059 nan 8.210 nan 0.000 0.413 347 P HA -0.214 nan 4.420 nan 0.000 0.214 347 P C 1.536 178.855 177.300 0.031 0.000 1.163 347 P CA 1.504 64.614 63.100 0.016 0.000 0.883 347 P CB 0.002 31.708 31.700 0.010 0.000 0.788 348 E N -0.916 119.308 120.200 0.039 0.000 2.216 348 E HA -0.147 4.204 4.350 0.002 0.000 0.192 348 E C 1.442 178.089 176.600 0.078 0.000 0.988 348 E CA 0.776 57.212 56.400 0.061 0.000 0.834 348 E CB 0.057 29.801 29.700 0.075 0.000 0.772 348 E HN 0.131 nan 8.360 nan 0.000 0.479 349 E N -0.425 119.821 120.200 0.076 0.000 2.340 349 E HA 0.180 4.532 4.350 0.002 0.000 0.198 349 E C 0.701 177.346 176.600 0.076 0.000 0.961 349 E CA 0.780 57.234 56.400 0.090 0.000 0.905 349 E CB 1.165 30.927 29.700 0.102 0.000 0.884 349 E HN 0.258 nan 8.360 nan 0.000 0.491 350 G N 1.266 110.100 108.800 0.056 0.000 2.650 350 G HA2 -0.184 3.777 3.960 0.002 0.000 0.686 350 G HA3 -0.184 3.777 3.960 0.002 0.000 0.686 350 G C 0.158 175.078 174.900 0.032 0.000 1.205 350 G CA -0.187 44.946 45.100 0.055 0.000 0.781 350 G HN 0.115 nan 8.290 nan 0.000 0.648 351 L N 1.136 122.365 121.223 0.010 0.000 1.943 351 L HA 0.062 4.403 4.340 0.002 0.000 0.215 351 L C 2.664 179.500 176.870 -0.057 0.000 1.074 351 L CA 3.282 58.102 54.840 -0.034 0.000 0.759 351 L CB -0.951 41.074 42.059 -0.056 0.000 0.888 351 L HN 0.826 nan 8.230 nan 0.000 0.433 352 E N -0.385 119.763 120.200 -0.087 0.000 2.086 352 E HA -0.296 4.055 4.350 0.002 0.000 0.200 352 E C 2.336 178.972 176.600 0.061 0.000 1.012 352 E CA 1.869 58.207 56.400 -0.102 0.000 0.812 352 E CB -0.361 29.174 29.700 -0.276 0.000 0.743 352 E HN 0.349 nan 8.360 nan 0.000 0.453 353 R N 0.560 121.118 120.500 0.098 0.000 2.075 353 R HA 0.029 4.370 4.340 0.002 0.000 0.232 353 R C 2.019 178.397 176.300 0.129 0.000 1.126 353 R CA 1.662 57.849 56.100 0.145 0.000 0.963 353 R CB -0.783 29.603 30.300 0.142 0.000 0.858 353 R HN 0.194 nan 8.270 nan 0.000 0.435 354 A N -0.337 122.532 122.820 0.081 0.000 1.933 354 A HA -0.077 4.244 4.320 0.002 0.000 0.218 354 A C 2.314 179.941 177.584 0.071 0.000 1.175 354 A CA 1.680 53.754 52.037 0.062 0.000 0.628 354 A CB -0.639 18.368 19.000 0.011 0.000 0.814 354 A HN 0.196 nan 8.150 nan 0.000 0.444 355 V N -1.388 118.554 119.914 0.047 0.000 2.548 355 V HA -0.242 3.879 4.120 0.002 0.000 0.249 355 V C 2.609 178.813 176.094 0.183 0.000 1.055 355 V CA 1.754 64.099 62.300 0.075 0.000 1.065 355 V CB -0.635 31.137 31.823 -0.083 0.000 0.681 355 V HN 0.799 nan 8.190 nan 0.000 0.462 356 C N 0.172 119.589 119.300 0.196 0.000 2.453 356 C HA -0.144 4.317 4.460 0.002 0.000 0.277 356 C C 2.538 177.621 174.990 0.155 0.000 1.262 356 C CA 1.197 60.338 59.018 0.205 0.000 1.718 356 C CB -1.058 26.822 27.740 0.235 0.000 2.031 356 C HN 0.613 nan 8.230 nan 0.000 0.480 357 D N -0.815 119.698 120.400 0.188 0.000 2.123 357 D HA -0.149 4.493 4.640 0.002 0.000 0.196 357 D C 1.741 178.140 176.300 0.165 0.000 0.992 357 D CA 1.532 55.644 54.000 0.186 0.000 0.833 357 D CB -0.652 40.251 40.800 0.173 0.000 0.954 357 D HN 0.670 nan 8.370 nan 0.000 0.455 358 Y N 1.461 121.774 120.300 0.023 0.000 2.114 358 Y HA -0.170 4.381 4.550 0.002 0.000 0.284 358 Y C 2.289 178.192 175.900 0.005 0.000 1.143 358 Y CA 1.135 59.221 58.100 -0.022 0.000 1.135 358 Y CB -0.670 37.748 38.460 -0.070 0.000 0.980 358 Y HN -0.092 nan 8.280 nan 0.000 0.499 359 I N 0.071 120.615 120.570 -0.043 0.000 2.142 359 I HA -0.341 3.830 4.170 0.002 0.000 0.240 359 I C 2.657 178.702 176.117 -0.120 0.000 1.078 359 I CA 1.433 62.669 61.300 -0.106 0.000 1.343 359 I CB -0.833 37.213 38.000 0.076 0.000 1.046 359 I HN 0.301 nan 8.210 nan 0.000 0.405 360 A N 0.671 123.445 122.820 -0.077 0.000 2.024 360 A HA -0.044 4.277 4.320 0.002 0.000 0.220 360 A C 1.642 179.215 177.584 -0.018 0.000 1.164 360 A CA 1.587 53.590 52.037 -0.057 0.000 0.643 360 A CB -1.334 17.685 19.000 0.031 0.000 0.806 360 A HN 0.453 nan 8.150 nan 0.000 0.451 364 D N 0.100 120.414 120.400 -0.143 0.000 2.097 364 D HA 0.020 4.662 4.640 0.002 0.000 0.197 364 D C 2.115 178.379 176.300 -0.060 0.000 0.984 364 D CA 1.268 55.111 54.000 -0.261 0.000 0.826 364 D CB -0.085 40.638 40.800 -0.129 0.000 0.973 364 D HN 0.483 nan 8.370 nan 0.000 0.460 365 R N -0.604 119.910 120.500 0.023 0.000 2.075 365 R HA -0.042 4.299 4.340 0.002 0.000 0.232 365 R C 2.223 178.548 176.300 0.042 0.000 1.126 365 R CA 0.542 56.670 56.100 0.046 0.000 0.963 365 R CB -0.401 29.922 30.300 0.038 0.000 0.858 365 R HN 0.158 nan 8.270 nan 0.000 0.435 366 F N 1.521 121.434 119.950 -0.061 0.000 2.095 366 F HA -0.208 4.320 4.527 0.001 0.000 0.298 366 F C 2.246 178.034 175.800 -0.020 0.000 1.104 366 F CA 1.528 59.498 58.000 -0.050 0.000 1.232 366 F CB -0.457 38.492 39.000 -0.086 0.000 0.987 366 F HN -0.008 nan 8.300 nan 0.000 0.475 367 A N 0.394 123.329 122.820 0.192 0.000 1.883 367 A HA -0.209 4.112 4.320 0.002 0.000 0.217 367 A C 2.130 179.791 177.584 0.129 0.000 1.186 367 A CA 1.887 54.011 52.037 0.145 0.000 0.624 367 A CB -1.374 17.638 19.000 0.020 0.000 0.822 367 A HN 0.523 nan 8.150 nan 0.000 0.444 368 L N -0.297 121.009 121.223 0.137 0.000 2.046 368 L HA -0.136 4.205 4.340 0.002 0.000 0.208 368 L C 2.277 179.199 176.870 0.086 0.000 1.077 368 L CA 2.556 57.484 54.840 0.147 0.000 0.747 368 L CB -0.573 41.567 42.059 0.135 0.000 0.896 368 L HN 0.487 nan 8.230 nan 0.000 0.432 369 E N -0.068 120.113 120.200 -0.032 0.000 2.047 369 E HA -0.181 4.171 4.350 0.002 0.000 0.191 369 E C 2.088 178.606 176.600 -0.135 0.000 0.987 369 E CA 1.235 57.575 56.400 -0.100 0.000 0.799 369 E CB -0.122 29.464 29.700 -0.191 0.000 0.752 369 E HN 0.569 nan 8.360 nan 0.000 0.449 370 A N 0.591 123.261 122.820 -0.249 0.000 1.883 370 A HA -0.240 4.081 4.320 0.002 0.000 0.217 370 A C 2.222 179.809 177.584 0.006 0.000 1.186 370 A CA 1.785 53.724 52.037 -0.163 0.000 0.624 370 A CB -1.228 17.701 19.000 -0.119 0.000 0.822 370 A HN 0.529 nan 8.150 nan 0.000 0.444 371 Y N 0.247 120.521 120.300 -0.043 0.000 2.207 371 Y HA -0.215 4.336 4.550 0.002 0.000 0.287 371 Y C 2.505 178.379 175.900 -0.043 0.000 1.156 371 Y CA 2.106 60.187 58.100 -0.032 0.000 1.182 371 Y CB -0.205 38.255 38.460 0.001 0.000 0.979 371 Y HN 0.252 nan 8.280 nan 0.000 0.521 372 R N -0.290 120.249 120.500 0.066 0.000 2.075 372 R HA -0.101 4.240 4.340 0.002 0.000 0.232 372 R C 2.157 178.390 176.300 -0.110 0.000 1.126 372 R CA 1.177 57.266 56.100 -0.019 0.000 0.963 372 R CB -0.116 30.209 30.300 0.043 0.000 0.858 372 R HN 0.169 nan 8.270 nan 0.000 0.435 373 R N 0.750 121.195 120.500 -0.092 0.000 2.241 373 R HA -0.075 4.267 4.340 0.002 0.000 0.224 373 R C 1.905 178.138 176.300 -0.111 0.000 1.101 373 R CA 0.855 56.902 56.100 -0.088 0.000 0.995 373 R CB -0.482 29.777 30.300 -0.068 0.000 0.870 373 R HN 0.324 nan 8.270 nan 0.000 0.463 374 L N -0.074 121.045 121.223 -0.175 0.000 2.478 374 L HA 0.045 4.386 4.340 0.002 0.000 0.223 374 L C 0.935 177.682 176.870 -0.206 0.000 1.140 374 L CA 0.275 54.997 54.840 -0.197 0.000 0.842 374 L CB -0.003 41.892 42.059 -0.274 0.000 0.953 374 L HN -0.053 nan 8.230 nan 0.000 0.452 375 S N -0.972 114.602 115.700 -0.209 0.000 2.532 375 S HA 0.547 5.018 4.470 0.002 0.000 0.301 375 S C -2.061 172.474 174.600 -0.108 0.000 1.083 375 S CA -1.390 56.710 58.200 -0.167 0.000 1.025 375 S CB 1.215 64.297 63.200 -0.196 0.000 1.056 375 S HN -0.077 nan 8.310 nan 0.000 0.494 376 P HA 0.000 nan 4.420 nan 0.000 0.216 376 P CA 0.000 63.063 63.100 -0.061 0.000 0.800 376 P CB 0.000 31.668 31.700 -0.054 0.000 0.726