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 2otn_1_B DATA FIRST_RESID -7 DATA SEQUENCE GLVPRGSHMS QFSFTKMHGL GNSYIYVNMF EEQIPEEDLA LVAEKVSNIN DATA SEQUENCE TGIGADGMIL ICPSDVAPVK MRMFNNDGSE GKSCGNGLRC VAKYAYEHKL DATA SEQUENCE VEDTVFTIET LAGIVTAEVT VEEGKVTLAK IDMGAPRLTR AEIPMLGEGE DATA SEQUENCE TPFIRENFLY NNHRYAFTAV SMGNPHAVIF VDDVEQAPLT TLGPVLETHE DATA SEQUENCE MFPERVNVEF IEILNEEEMN FRVWERXXXX XXXCGTGACA AVVASILNGK DATA SEQUENCE MERGKEITVH LAGGDLMIAW TEEGNVLMKG PAEVICRGVY EYKIE 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 -7 G HA2 0.000 nan 3.960 nan 0.000 0.244 -7 G HA3 0.000 3.953 3.960 -0.012 0.000 0.244 -7 G C 0.000 174.904 174.900 0.007 0.000 0.946 -7 G CA 0.000 45.104 45.100 0.006 0.000 0.502 -6 L N -0.068 121.160 121.223 0.009 0.000 2.455 -6 L HA 0.751 5.084 4.340 -0.012 0.000 0.264 -6 L C -0.854 176.024 176.870 0.013 0.000 0.968 -6 L CA -0.736 54.110 54.840 0.010 0.000 0.827 -6 L CB 2.385 44.450 42.059 0.010 0.000 1.317 -6 L HN 0.493 nan 8.230 nan 0.000 0.407 -5 V N 6.315 126.236 119.914 0.013 0.000 2.353 -5 V HA 0.391 4.504 4.120 -0.012 0.000 0.264 -5 V C -1.759 174.346 176.094 0.018 0.000 1.049 -5 V CA -1.083 61.226 62.300 0.014 0.000 0.896 -5 V CB 0.388 32.218 31.823 0.011 0.000 1.025 -5 V HN 0.711 nan 8.190 nan 0.000 0.475 -4 P HA 0.436 nan 4.420 nan 0.000 0.275 -4 P C -0.543 176.774 177.300 0.029 0.000 1.228 -4 P CA -0.447 62.672 63.100 0.031 0.000 0.786 -4 P CB 1.326 33.053 31.700 0.046 0.000 0.927 -3 R N 0.241 120.758 120.500 0.029 0.000 2.888 -3 R HA 0.721 5.054 4.340 -0.012 0.000 0.266 -3 R C 0.216 176.537 176.300 0.034 0.000 1.020 -3 R CA 0.045 56.160 56.100 0.026 0.000 0.963 -3 R CB 1.834 32.144 30.300 0.017 0.000 1.197 -3 R HN 0.866 nan 8.270 nan 0.000 0.481 -2 G N 0.328 109.145 108.800 0.029 0.000 2.548 -2 G HA2 -0.048 3.905 3.960 -0.012 0.000 0.208 -2 G HA3 -0.048 3.905 3.960 -0.012 0.000 0.208 -2 G C -1.075 173.850 174.900 0.041 0.000 1.308 -2 G CA -0.315 44.806 45.100 0.034 0.000 0.924 -2 G HN 1.028 nan 8.290 nan 0.000 0.540 -1 S N -0.361 115.372 115.700 0.056 0.000 2.547 -1 S HA 0.769 5.232 4.470 -0.012 0.000 0.270 -1 S C -1.008 173.645 174.600 0.087 0.000 1.150 -1 S CA 0.303 58.518 58.200 0.024 0.000 0.850 -1 S CB 1.905 65.092 63.200 -0.021 0.000 1.118 -1 S HN 2.314 nan 8.310 nan 0.000 0.461 0 H N 0.751 119.808 119.070 -0.021 0.000 2.894 0 H HA 0.646 5.195 4.556 -0.011 0.000 0.367 0 H C -1.685 173.576 175.328 -0.113 0.000 1.144 0 H CA -1.172 54.846 56.048 -0.050 0.000 1.180 0 H CB 1.358 31.103 29.762 -0.029 0.000 1.758 0 H HN 0.679 nan 8.280 nan 0.000 0.541 1 M N 2.466 122.018 119.600 -0.079 0.000 2.243 1 M HA 0.380 4.853 4.480 -0.012 0.000 0.324 1 M C -0.423 175.703 176.300 -0.291 0.000 1.031 1 M CA -0.405 54.750 55.300 -0.240 0.000 0.949 1 M CB 2.154 34.655 32.600 -0.165 0.000 1.615 1 M HN 0.710 nan 8.290 nan 0.000 0.430 2 S N 2.004 117.330 115.700 -0.622 0.000 2.840 2 S HA 0.770 5.233 4.470 -0.012 0.000 0.307 2 S C -1.933 172.337 174.600 -0.551 0.000 1.180 2 S CA -0.593 57.303 58.200 -0.507 0.000 0.846 2 S CB 1.980 64.960 63.200 -0.368 0.000 1.233 2 S HN 0.751 nan 8.310 nan 0.000 0.548 3 Q N 0.073 119.759 119.800 -0.191 0.000 2.575 3 Q HA 0.671 5.004 4.340 -0.012 0.000 0.290 3 Q C -1.809 174.315 176.000 0.208 0.000 0.963 3 Q CA -0.972 54.784 55.803 -0.079 0.000 0.783 3 Q CB 1.437 30.118 28.738 -0.096 0.000 1.467 3 Q HN 0.637 nan 8.270 nan 0.000 0.402 4 F N -2.041 118.081 119.950 0.286 0.000 2.631 4 F HA 0.719 5.238 4.527 -0.013 0.000 0.308 4 F C -0.975 175.012 175.800 0.312 0.000 1.097 4 F CA -1.094 57.063 58.000 0.263 0.000 0.952 4 F CB 1.520 40.678 39.000 0.262 0.000 1.307 4 F HN 0.481 nan 8.300 nan 0.000 0.450 5 S N 1.953 117.940 115.700 0.478 0.000 2.576 5 S HA 0.630 5.093 4.470 -0.012 0.000 0.276 5 S C -0.779 174.156 174.600 0.558 0.000 1.339 5 S CA -0.274 58.155 58.200 0.382 0.000 1.039 5 S CB 0.324 63.653 63.200 0.215 0.000 0.902 5 S HN 0.673 nan 8.310 nan 0.000 0.516 6 F N -1.062 119.075 119.950 0.311 0.000 2.662 6 F HA 0.788 5.308 4.527 -0.011 0.000 0.312 6 F C -0.842 175.096 175.800 0.229 0.000 1.113 6 F CA -0.917 57.258 58.000 0.291 0.000 0.951 6 F CB 1.157 40.364 39.000 0.345 0.000 1.344 6 F HN 0.328 nan 8.300 nan 0.000 0.462 7 T N 1.466 116.178 114.554 0.264 0.000 2.841 7 T HA 0.333 4.676 4.350 -0.012 0.000 0.285 7 T C -1.105 173.877 174.700 0.470 0.000 0.991 7 T CA -0.791 61.433 62.100 0.208 0.000 0.966 7 T CB 1.484 70.501 68.868 0.248 0.000 0.962 7 T HN 0.748 nan 8.240 nan 0.000 0.438 8 K N 4.019 124.687 120.400 0.447 0.000 2.276 8 K HA 0.567 4.880 4.320 -0.012 0.000 0.285 8 K C -0.640 176.143 176.600 0.306 0.000 1.062 8 K CA -0.288 56.255 56.287 0.426 0.000 0.918 8 K CB 0.462 33.181 32.500 0.365 0.000 1.055 8 K HN 0.581 nan 8.250 nan 0.000 0.477 9 M N 2.494 122.300 119.600 0.343 0.000 2.591 9 M HA 0.259 4.732 4.480 -0.012 0.000 0.306 9 M C -1.037 175.438 176.300 0.292 0.000 1.190 9 M CA -1.050 54.366 55.300 0.194 0.000 0.889 9 M CB 2.148 34.687 32.600 -0.102 0.000 1.728 9 M HN 0.613 nan 8.290 nan 0.000 0.458 10 H N -0.005 119.137 119.070 0.120 0.000 2.589 10 H HA 0.688 5.235 4.556 -0.014 0.000 0.351 10 H C -0.470 174.911 175.328 0.088 0.000 1.074 10 H CA -0.238 55.880 56.048 0.117 0.000 1.203 10 H CB 1.643 31.453 29.762 0.081 0.000 1.558 10 H HN 0.682 nan 8.280 nan 0.000 0.522 11 G N 3.306 111.851 108.800 -0.425 0.000 2.727 11 G HA2 0.215 4.168 3.960 -0.012 0.000 0.212 11 G HA3 0.215 4.168 3.960 -0.012 0.000 0.212 11 G C -0.994 173.615 174.900 -0.484 0.000 2.076 11 G CA -0.246 44.666 45.100 -0.312 0.000 0.744 11 G HN 0.534 nan 8.290 nan 0.000 0.775 12 L N 0.713 121.769 121.223 -0.277 0.000 2.313 12 L HA 0.633 4.966 4.340 -0.012 0.000 0.283 12 L C 1.058 177.854 176.870 -0.123 0.000 1.013 12 L CA 0.999 55.737 54.840 -0.170 0.000 0.816 12 L CB 0.932 42.938 42.059 -0.087 0.000 1.236 12 L HN 1.222 nan 8.230 nan 0.000 0.419 13 G N 4.584 113.357 108.800 -0.045 0.000 3.181 13 G HA2 -0.414 3.539 3.960 -0.012 0.000 0.322 13 G HA3 -0.414 3.539 3.960 -0.012 0.000 0.322 13 G C 0.328 175.257 174.900 0.048 0.000 1.246 13 G CA 0.540 45.660 45.100 0.033 0.000 0.989 13 G HN 0.792 nan 8.290 nan 0.000 0.607 14 N N 1.424 120.142 118.700 0.030 0.000 2.381 14 N HA 0.477 5.210 4.740 -0.012 0.000 0.241 14 N C 0.166 175.709 175.510 0.054 0.000 1.279 14 N CA 0.880 53.937 53.050 0.010 0.000 0.896 14 N CB 0.974 39.503 38.487 0.069 0.000 1.118 14 N HN 1.031 nan 8.380 nan 0.000 0.438 15 S N -0.278 115.396 115.700 -0.042 0.000 2.538 15 S HA 0.613 5.076 4.470 -0.012 0.000 0.288 15 S C -1.481 173.002 174.600 -0.195 0.000 1.108 15 S CA -0.836 57.412 58.200 0.081 0.000 0.971 15 S CB 0.685 64.004 63.200 0.199 0.000 1.041 15 S HN 0.453 nan 8.310 nan 0.000 0.483 16 Y N 0.924 121.313 120.300 0.149 0.000 2.630 16 Y HA 0.594 5.141 4.550 -0.005 0.000 0.337 16 Y C 0.083 175.976 175.900 -0.011 0.000 1.051 16 Y CA -1.563 56.500 58.100 -0.062 0.000 1.121 16 Y CB 0.970 39.204 38.460 -0.376 0.000 1.299 16 Y HN 0.533 nan 8.280 nan 0.000 0.498 17 I N 2.380 122.962 120.570 0.020 0.000 2.325 17 I HA 0.129 4.292 4.170 -0.012 0.000 0.291 17 I C -0.970 175.095 176.117 -0.086 0.000 1.019 17 I CA -1.036 60.307 61.300 0.071 0.000 1.302 17 I CB -0.311 37.653 38.000 -0.060 0.000 1.401 17 I HN 0.488 nan 8.210 nan 0.000 0.485 18 Y N 5.196 125.577 120.300 0.136 0.000 2.328 18 Y HA 0.500 5.043 4.550 -0.013 0.000 0.337 18 Y C 0.235 176.106 175.900 -0.049 0.000 1.008 18 Y CA -0.698 57.390 58.100 -0.021 0.000 1.129 18 Y CB 1.728 40.120 38.460 -0.113 0.000 1.185 18 Y HN 0.216 nan 8.280 nan 0.000 0.476 19 V N 3.182 123.064 119.914 -0.053 0.000 2.487 19 V HA 0.261 4.374 4.120 -0.012 0.000 0.298 19 V C -0.442 175.575 176.094 -0.130 0.000 1.028 19 V CA -1.405 60.837 62.300 -0.096 0.000 0.860 19 V CB 1.786 33.433 31.823 -0.294 0.000 0.991 19 V HN 0.790 nan 8.190 nan 0.000 0.427 20 N N 4.435 123.090 118.700 -0.076 0.000 2.439 20 N HA 0.175 4.908 4.740 -0.012 0.000 0.243 20 N C 0.845 176.414 175.510 0.098 0.000 1.088 20 N CA -0.674 52.400 53.050 0.040 0.000 0.940 20 N CB 0.567 39.134 38.487 0.132 0.000 1.180 20 N HN 0.592 nan 8.380 nan 0.000 0.505 21 M N 2.954 122.591 119.600 0.063 0.000 2.618 21 M HA 0.029 4.502 4.480 -0.012 0.000 0.240 21 M C 0.466 176.736 176.300 -0.049 0.000 1.123 21 M CA 0.427 55.706 55.300 -0.035 0.000 1.060 21 M CB -0.843 31.687 32.600 -0.117 0.000 1.535 21 M HN 0.569 nan 8.290 nan 0.000 0.507 22 F N 1.027 120.984 119.950 0.012 0.000 2.293 22 F HA -0.124 4.396 4.527 -0.012 0.000 0.300 22 F C 2.011 177.830 175.800 0.031 0.000 1.086 22 F CA 1.184 59.199 58.000 0.025 0.000 1.375 22 F CB -0.172 38.850 39.000 0.037 0.000 1.045 22 F HN 0.312 nan 8.300 nan 0.000 0.516 23 E N -1.493 118.838 120.200 0.218 0.000 2.421 23 E HA 0.061 4.404 4.350 -0.012 0.000 0.209 23 E C 0.431 177.102 176.600 0.119 0.000 0.871 23 E CA 0.011 56.503 56.400 0.152 0.000 1.064 23 E CB 0.438 30.229 29.700 0.151 0.000 1.075 23 E HN 0.147 nan 8.360 nan 0.000 0.513 24 E N 1.152 121.413 120.200 0.103 0.000 2.243 24 E HA 0.414 4.757 4.350 -0.012 0.000 0.260 24 E C -0.646 175.983 176.600 0.049 0.000 0.985 24 E CA -0.436 56.023 56.400 0.098 0.000 0.858 24 E CB 1.510 31.267 29.700 0.095 0.000 1.210 24 E HN -0.051 nan 8.360 nan 0.000 0.411 25 Q N 0.584 120.427 119.800 0.071 0.000 2.271 25 Q HA 0.560 4.893 4.340 -0.012 0.000 0.268 25 Q C -1.001 175.045 176.000 0.076 0.000 1.021 25 Q CA -0.097 55.734 55.803 0.046 0.000 0.802 25 Q CB 2.086 30.857 28.738 0.055 0.000 1.282 25 Q HN 0.361 nan 8.270 nan 0.000 0.431 26 I N 3.022 123.602 120.570 0.017 0.000 2.534 26 I HA 0.415 4.578 4.170 -0.012 0.000 0.288 26 I C -2.330 173.792 176.117 0.010 0.000 1.077 26 I CA -2.323 59.007 61.300 0.050 0.000 1.051 26 I CB 2.012 39.975 38.000 -0.061 0.000 1.234 26 I HN 0.366 nan 8.210 nan 0.000 0.425 27 P HA 0.007 nan 4.420 nan 0.000 0.265 27 P C 0.651 177.944 177.300 -0.013 0.000 1.193 27 P CA 0.070 63.171 63.100 0.002 0.000 0.765 27 P CB 0.832 32.527 31.700 -0.008 0.000 0.823 28 E N 3.713 123.902 120.200 -0.018 0.000 2.108 28 E HA -0.302 4.041 4.350 -0.012 0.000 0.203 28 E C 1.517 178.115 176.600 -0.004 0.000 1.022 28 E CA 2.173 58.565 56.400 -0.012 0.000 0.823 28 E CB -0.340 29.360 29.700 0.001 0.000 0.744 28 E HN 0.649 nan 8.360 nan 0.000 0.456 29 E N -0.588 119.616 120.200 0.007 0.000 2.409 29 E HA -0.180 4.163 4.350 -0.012 0.000 0.198 29 E C 0.635 177.251 176.600 0.026 0.000 1.024 29 E CA 1.319 57.731 56.400 0.020 0.000 0.861 29 E CB -0.065 29.649 29.700 0.024 0.000 0.788 29 E HN 0.271 nan 8.360 nan 0.000 0.521 30 D N 0.692 121.107 120.400 0.024 0.000 2.354 30 D HA 0.122 4.755 4.640 -0.012 0.000 0.209 30 D C 1.988 178.236 176.300 -0.088 0.000 1.015 30 D CA 0.077 54.098 54.000 0.035 0.000 0.867 30 D CB 0.101 40.987 40.800 0.143 0.000 0.933 30 D HN 0.182 nan 8.370 nan 0.000 0.520 31 L N 0.709 121.829 121.223 -0.171 0.000 1.989 31 L HA -0.187 4.146 4.340 -0.012 0.000 0.211 31 L C 2.453 179.020 176.870 -0.503 0.000 1.071 31 L CA 1.428 56.007 54.840 -0.435 0.000 0.749 31 L CB -0.488 41.233 42.059 -0.564 0.000 0.890 31 L HN 0.022 nan 8.230 nan 0.000 0.431 32 A N -0.326 122.350 122.820 -0.240 0.000 1.940 32 A HA -0.230 4.083 4.320 -0.012 0.000 0.219 32 A C 2.180 179.719 177.584 -0.076 0.000 1.176 32 A CA 1.785 53.787 52.037 -0.058 0.000 0.631 32 A CB -0.626 18.417 19.000 0.072 0.000 0.814 32 A HN 0.333 nan 8.150 nan 0.000 0.446 33 L N -0.418 120.758 121.223 -0.079 0.000 2.095 33 L HA -0.012 4.321 4.340 -0.012 0.000 0.204 33 L C 2.379 179.187 176.870 -0.105 0.000 1.080 33 L CA 1.574 56.379 54.840 -0.060 0.000 0.759 33 L CB -0.492 41.554 42.059 -0.022 0.000 0.914 33 L HN 0.137 nan 8.230 nan 0.000 0.439 34 V N 0.101 119.910 119.914 -0.175 0.000 2.407 34 V HA -0.266 3.847 4.120 -0.012 0.000 0.248 34 V C 2.795 178.761 176.094 -0.212 0.000 1.055 34 V CA 1.484 63.641 62.300 -0.239 0.000 1.049 34 V CB -1.254 30.375 31.823 -0.324 0.000 0.662 34 V HN 0.575 nan 8.190 nan 0.000 0.455 35 A N -0.456 122.220 122.820 -0.240 0.000 1.908 35 A HA -0.297 4.016 4.320 -0.012 0.000 0.218 35 A C 2.282 179.801 177.584 -0.108 0.000 1.181 35 A CA 2.158 54.086 52.037 -0.181 0.000 0.627 35 A CB -0.490 18.429 19.000 -0.134 0.000 0.818 35 A HN 0.626 nan 8.150 nan 0.000 0.445 36 E N -0.299 119.853 120.200 -0.079 0.000 2.072 36 E HA -0.185 4.158 4.350 -0.012 0.000 0.191 36 E C 1.996 178.557 176.600 -0.064 0.000 0.985 36 E CA 1.335 57.703 56.400 -0.053 0.000 0.801 36 E CB -0.063 29.619 29.700 -0.030 0.000 0.750 36 E HN 0.627 nan 8.360 nan 0.000 0.452 37 K N -0.056 120.304 120.400 -0.067 0.000 2.025 37 K HA -0.094 4.219 4.320 -0.012 0.000 0.207 37 K C 2.106 178.658 176.600 -0.080 0.000 1.049 37 K CA 1.181 57.450 56.287 -0.030 0.000 0.933 37 K CB -0.165 32.352 32.500 0.028 0.000 0.714 37 K HN 0.041 nan 8.250 nan 0.000 0.438 38 V N 0.736 120.516 119.914 -0.224 0.000 2.667 38 V HA -0.150 3.963 4.120 -0.012 0.000 0.252 38 V C 1.482 177.380 176.094 -0.326 0.000 1.065 38 V CA 1.661 63.661 62.300 -0.501 0.000 1.083 38 V CB 0.007 31.367 31.823 -0.773 0.000 0.692 38 V HN 0.234 nan 8.190 nan 0.000 0.468 39 S N 0.140 115.718 115.700 -0.202 0.000 2.527 39 S HA 0.027 4.490 4.470 -0.012 0.000 0.222 39 S C 1.012 175.545 174.600 -0.111 0.000 0.985 39 S CA -0.015 58.096 58.200 -0.149 0.000 0.921 39 S CB -0.382 62.753 63.200 -0.108 0.000 0.772 39 S HN 0.678 nan 8.310 nan 0.000 0.529 40 N N 1.736 120.380 118.700 -0.093 0.000 2.470 40 N HA 0.135 4.868 4.740 -0.012 0.000 0.268 40 N C 0.742 176.220 175.510 -0.053 0.000 1.136 40 N CA 0.025 53.039 53.050 -0.059 0.000 0.961 40 N CB 0.615 39.080 38.487 -0.037 0.000 1.067 40 N HN 0.203 nan 8.380 nan 0.000 0.468 41 I N 3.831 124.375 120.570 -0.042 0.000 2.546 41 I HA -0.211 3.952 4.170 -0.012 0.000 0.255 41 I C 1.258 177.365 176.117 -0.017 0.000 1.163 41 I CA 0.769 62.050 61.300 -0.032 0.000 1.457 41 I CB 0.133 38.116 38.000 -0.029 0.000 1.092 41 I HN 0.521 nan 8.210 nan 0.000 0.434 42 N N 0.138 118.829 118.700 -0.014 0.000 2.220 42 N HA -0.063 4.670 4.740 -0.012 0.000 0.182 42 N C 1.612 177.124 175.510 0.003 0.000 1.023 42 N CA 2.067 55.114 53.050 -0.005 0.000 0.856 42 N CB -0.193 38.291 38.487 -0.006 0.000 0.997 42 N HN 0.425 nan 8.380 nan 0.000 0.429 43 T N -3.278 111.279 114.554 0.005 0.000 3.040 43 T HA 0.417 4.760 4.350 -0.012 0.000 0.266 43 T C 0.793 175.521 174.700 0.048 0.000 1.005 43 T CA -0.223 61.890 62.100 0.021 0.000 0.906 43 T CB 0.678 69.556 68.868 0.016 0.000 1.082 43 T HN 0.103 nan 8.240 nan 0.000 0.531 44 G N 0.603 109.416 108.800 0.022 0.000 3.217 44 G HA2 0.655 4.608 3.960 -0.012 0.000 0.213 44 G HA3 0.655 4.608 3.960 -0.012 0.000 0.213 44 G C 0.363 175.240 174.900 -0.039 0.000 1.294 44 G CA -0.828 44.278 45.100 0.010 0.000 0.987 44 G HN 0.183 nan 8.290 nan 0.000 0.584 45 I N 0.414 120.888 120.570 -0.159 0.000 2.270 45 I HA 0.317 4.480 4.170 -0.012 0.000 0.239 45 I C 1.297 177.355 176.117 -0.098 0.000 1.080 45 I CA 1.440 62.648 61.300 -0.154 0.000 1.383 45 I CB -0.158 37.633 38.000 -0.348 0.000 1.097 45 I HN 0.761 nan 8.210 nan 0.000 0.420 46 G N 1.039 109.762 108.800 -0.128 0.000 3.305 46 G HA2 0.404 4.357 3.960 -0.012 0.000 0.649 46 G HA3 0.404 4.357 3.960 -0.012 0.000 0.649 46 G C -0.938 173.905 174.900 -0.095 0.000 1.255 46 G CA -0.459 44.587 45.100 -0.090 0.000 1.137 46 G HN 0.671 nan 8.290 nan 0.000 0.535 47 A N 1.794 124.542 122.820 -0.120 0.000 2.566 47 A HA 0.807 5.120 4.320 -0.012 0.000 0.290 47 A C 0.370 177.828 177.584 -0.211 0.000 1.071 47 A CA 0.122 52.065 52.037 -0.157 0.000 0.658 47 A CB 0.753 19.662 19.000 -0.151 0.000 1.285 47 A HN 0.419 nan 8.150 nan 0.000 0.427 48 D N -0.025 120.149 120.400 -0.378 0.000 2.348 48 D HA 0.344 4.977 4.640 -0.012 0.000 0.216 48 D C 0.925 177.040 176.300 -0.308 0.000 0.970 48 D CA 2.155 55.900 54.000 -0.426 0.000 0.889 48 D CB 0.544 40.937 40.800 -0.678 0.000 0.912 48 D HN 1.140 nan 8.370 nan 0.000 0.524 49 G N -0.115 108.550 108.800 -0.226 0.000 2.351 49 G HA2 0.240 4.193 3.960 -0.012 0.000 0.279 49 G HA3 0.240 4.193 3.960 -0.012 0.000 0.279 49 G C -1.702 173.305 174.900 0.178 0.000 1.297 49 G CA -0.651 44.507 45.100 0.098 0.000 0.886 49 G HN 0.049 nan 8.290 nan 0.000 0.493 50 M N 0.365 120.067 119.600 0.170 0.000 2.393 50 M HA 0.794 5.267 4.480 -0.012 0.000 0.299 50 M C -1.641 174.630 176.300 -0.048 0.000 1.103 50 M CA -0.920 54.376 55.300 -0.006 0.000 0.910 50 M CB 1.904 34.443 32.600 -0.102 0.000 1.659 50 M HN 0.459 nan 8.290 nan 0.000 0.445 51 I N 5.543 125.953 120.570 -0.268 0.000 2.466 51 I HA 0.377 4.540 4.170 -0.012 0.000 0.289 51 I C -1.159 174.845 176.117 -0.188 0.000 1.026 51 I CA -0.733 60.387 61.300 -0.301 0.000 1.078 51 I CB 1.990 39.621 38.000 -0.614 0.000 1.249 51 I HN 0.643 nan 8.210 nan 0.000 0.429 52 L N 6.942 128.126 121.223 -0.065 0.000 2.289 52 L HA 0.542 4.875 4.340 -0.012 0.000 0.285 52 L C -0.373 176.487 176.870 -0.017 0.000 1.049 52 L CA -0.596 54.209 54.840 -0.059 0.000 0.804 52 L CB 1.385 43.427 42.059 -0.027 0.000 1.195 52 L HN 0.441 nan 8.230 nan 0.000 0.428 53 I N 2.690 123.259 120.570 -0.002 0.000 2.307 53 I HA 0.312 4.475 4.170 -0.012 0.000 0.289 53 I C -0.433 175.765 176.117 0.135 0.000 1.021 53 I CA -0.172 61.186 61.300 0.097 0.000 1.224 53 I CB 0.991 39.046 38.000 0.092 0.000 1.376 53 I HN 0.609 nan 8.210 nan 0.000 0.470 54 C N 6.375 125.711 119.300 0.061 0.000 2.779 54 C HA 0.537 4.990 4.460 -0.012 0.000 0.314 54 C C -2.378 172.373 174.990 -0.399 0.000 1.231 54 C CA -1.615 57.266 59.018 -0.227 0.000 1.652 54 C CB 1.820 29.471 27.740 -0.149 0.000 2.198 54 C HN 0.427 nan 8.230 nan 0.000 0.483 55 P HA 0.158 nan 4.420 nan 0.000 0.267 55 P C -0.603 176.616 177.300 -0.135 0.000 1.201 55 P CA 0.593 63.392 63.100 -0.502 0.000 0.775 55 P CB 0.478 31.898 31.700 -0.465 0.000 0.854 56 S N 0.703 116.403 115.700 0.001 0.000 2.549 56 S HA 0.288 4.751 4.470 -0.012 0.000 0.280 56 S C 0.277 174.895 174.600 0.030 0.000 1.109 56 S CA -0.618 57.595 58.200 0.020 0.000 0.905 56 S CB 0.858 64.093 63.200 0.059 0.000 1.081 56 S HN 0.219 nan 8.310 nan 0.000 0.477 57 D N 2.215 122.625 120.400 0.017 0.000 2.323 57 D HA 0.065 4.698 4.640 -0.012 0.000 0.209 57 D C 1.460 177.777 176.300 0.028 0.000 0.973 57 D CA 0.896 54.907 54.000 0.019 0.000 0.874 57 D CB 0.359 41.164 40.800 0.008 0.000 0.930 57 D HN 0.342 nan 8.370 nan 0.000 0.521 58 V N -1.104 118.830 119.914 0.034 0.000 3.562 58 V HA 0.486 4.599 4.120 -0.012 0.000 0.270 58 V C 0.648 176.773 176.094 0.053 0.000 1.418 58 V CA 0.045 62.367 62.300 0.036 0.000 1.033 58 V CB 0.511 32.350 31.823 0.027 0.000 0.820 58 V HN 0.104 nan 8.190 nan 0.000 0.441 59 A N 0.529 123.391 122.820 0.070 0.000 2.564 59 A HA 0.800 5.113 4.320 -0.012 0.000 0.288 59 A C -2.203 175.452 177.584 0.118 0.000 1.164 59 A CA -1.078 51.017 52.037 0.097 0.000 0.712 59 A CB 0.789 19.854 19.000 0.109 0.000 1.303 59 A HN -0.021 nan 8.150 nan 0.000 0.418 60 P HA -0.041 nan 4.420 nan 0.000 0.215 60 P C 0.598 178.025 177.300 0.211 0.000 1.157 60 P CA 2.276 65.453 63.100 0.127 0.000 0.868 60 P CB -0.349 31.388 31.700 0.062 0.000 0.788 61 V N -3.868 116.175 119.914 0.215 0.000 3.001 61 V HA 0.682 4.795 4.120 -0.012 0.000 0.314 61 V C -0.626 175.580 176.094 0.186 0.000 1.099 61 V CA -1.419 61.047 62.300 0.276 0.000 0.989 61 V CB 2.598 34.582 31.823 0.269 0.000 1.040 61 V HN -0.055 nan 8.190 nan 0.000 0.434 62 K N 2.995 123.485 120.400 0.150 0.000 2.371 62 K HA 0.675 4.988 4.320 -0.012 0.000 0.251 62 K C -1.325 175.314 176.600 0.066 0.000 0.934 62 K CA -0.841 55.493 56.287 0.078 0.000 0.798 62 K CB 2.412 34.928 32.500 0.027 0.000 1.204 62 K HN 1.007 nan 8.250 nan 0.000 0.427 63 M N 4.523 124.146 119.600 0.039 0.000 2.205 63 M HA 0.385 4.858 4.480 -0.012 0.000 0.344 63 M C -1.217 175.060 176.300 -0.038 0.000 1.085 63 M CA -0.483 54.824 55.300 0.012 0.000 1.001 63 M CB 0.989 33.596 32.600 0.013 0.000 1.626 63 M HN 0.573 nan 8.290 nan 0.000 0.442 64 R N 5.190 125.666 120.500 -0.041 0.000 2.439 64 R HA 0.540 4.873 4.340 -0.012 0.000 0.310 64 R C -1.050 175.188 176.300 -0.104 0.000 0.955 64 R CA -0.514 55.537 56.100 -0.083 0.000 0.853 64 R CB 2.280 32.593 30.300 0.022 0.000 1.171 64 R HN 0.726 nan 8.270 nan 0.000 0.449 65 M N 4.029 123.472 119.600 -0.262 0.000 2.227 65 M HA 0.438 4.911 4.480 -0.012 0.000 0.335 65 M C -1.629 174.439 176.300 -0.386 0.000 1.053 65 M CA -0.585 54.563 55.300 -0.253 0.000 0.973 65 M CB 0.999 33.422 32.600 -0.295 0.000 1.623 65 M HN 0.484 nan 8.290 nan 0.000 0.434 66 F N 3.242 123.127 119.950 -0.108 0.000 2.482 66 F HA 0.440 4.958 4.527 -0.014 0.000 0.331 66 F C 0.577 176.378 175.800 0.000 0.000 1.115 66 F CA -0.809 57.156 58.000 -0.058 0.000 0.955 66 F CB 1.082 40.039 39.000 -0.073 0.000 1.136 66 F HN 0.520 nan 8.300 nan 0.000 0.452 67 N N 1.765 120.549 118.700 0.139 0.000 2.294 67 N HA -0.021 4.712 4.740 -0.012 0.000 0.248 67 N C 0.952 176.515 175.510 0.087 0.000 1.300 67 N CA -0.001 53.120 53.050 0.118 0.000 0.925 67 N CB 0.402 38.924 38.487 0.058 0.000 1.188 67 N HN 0.609 nan 8.380 nan 0.000 0.512 68 N N 0.090 118.810 118.700 0.033 0.000 2.515 68 N HA -0.127 4.606 4.740 -0.012 0.000 0.185 68 N C 0.145 175.653 175.510 -0.002 0.000 1.109 68 N CA 0.556 53.603 53.050 -0.005 0.000 0.903 68 N CB -0.236 38.226 38.487 -0.042 0.000 0.969 68 N HN 0.509 nan 8.380 nan 0.000 0.450 69 D N -1.536 118.872 120.400 0.014 0.000 2.328 69 D HA 0.178 4.811 4.640 -0.012 0.000 0.221 69 D C 1.214 177.534 176.300 0.032 0.000 1.072 69 D CA 0.309 54.317 54.000 0.014 0.000 0.850 69 D CB -0.409 40.397 40.800 0.009 0.000 0.922 69 D HN 0.286 nan 8.370 nan 0.000 0.516 70 G N 0.475 109.312 108.800 0.061 0.000 2.176 70 G HA2 -0.294 3.659 3.960 -0.012 0.000 0.253 70 G HA3 -0.294 3.659 3.960 -0.012 0.000 0.253 70 G C 0.374 175.385 174.900 0.185 0.000 0.979 70 G CA 0.407 45.573 45.100 0.110 0.000 0.641 70 G HN 0.849 nan 8.290 nan 0.000 0.530 71 S N -0.097 115.666 115.700 0.104 0.000 2.548 71 S HA 0.560 5.023 4.470 -0.012 0.000 0.277 71 S C 0.003 174.585 174.600 -0.030 0.000 1.315 71 S CA 0.024 58.253 58.200 0.048 0.000 1.050 71 S CB 2.146 65.350 63.200 0.007 0.000 0.918 71 S HN 0.488 nan 8.310 nan 0.000 0.497 72 E N 1.897 121.995 120.200 -0.170 0.000 2.227 72 E HA 0.556 4.899 4.350 -0.012 0.000 0.282 72 E C 0.160 176.587 176.600 -0.288 0.000 1.015 72 E CA -0.479 55.623 56.400 -0.496 0.000 0.823 72 E CB 0.713 29.940 29.700 -0.788 0.000 1.081 72 E HN 0.890 nan 8.360 nan 0.000 0.396 73 G N 3.139 111.776 108.800 -0.271 0.000 2.727 73 G HA2 0.260 4.213 3.960 -0.012 0.000 0.289 73 G HA3 0.260 4.213 3.960 -0.012 0.000 0.289 73 G C -1.153 173.649 174.900 -0.163 0.000 1.418 73 G CA -0.804 44.195 45.100 -0.169 0.000 0.818 73 G HN 0.422 nan 8.290 nan 0.000 0.486 74 K N 0.550 120.882 120.400 -0.114 0.000 2.412 74 K HA 0.161 4.474 4.320 -0.012 0.000 0.281 74 K C 1.647 178.189 176.600 -0.096 0.000 1.027 74 K CA 0.500 56.728 56.287 -0.098 0.000 0.989 74 K CB 1.291 33.749 32.500 -0.070 0.000 0.935 74 K HN 0.541 nan 8.250 nan 0.000 0.475 75 S N 2.126 117.760 115.700 -0.110 0.000 2.423 75 S HA -0.131 4.332 4.470 -0.012 0.000 0.231 75 S C 1.237 175.797 174.600 -0.067 0.000 1.014 75 S CA 0.609 58.741 58.200 -0.114 0.000 0.965 75 S CB -0.989 62.127 63.200 -0.140 0.000 0.785 75 S HN 0.835 nan 8.310 nan 0.000 0.495 76 C N 1.124 120.390 119.300 -0.057 0.000 2.638 76 C HA 0.205 4.658 4.460 -0.012 0.000 0.192 76 C C 1.688 176.657 174.990 -0.034 0.000 1.438 76 C CA -0.453 58.540 59.018 -0.041 0.000 2.344 76 C CB -2.944 24.776 27.740 -0.033 0.000 1.518 76 C HN 1.775 nan 8.230 nan 0.000 0.342 77 G N 1.430 110.206 108.800 -0.040 0.000 2.397 77 G HA2 -0.216 3.737 3.960 -0.012 0.000 0.211 77 G HA3 -0.216 3.737 3.960 -0.012 0.000 0.211 77 G C -0.147 174.735 174.900 -0.029 0.000 1.077 77 G CA 0.177 45.257 45.100 -0.034 0.000 0.649 77 G HN 0.855 nan 8.290 nan 0.000 0.511 78 N N 2.092 120.777 118.700 -0.024 0.000 2.468 78 N HA 0.451 5.184 4.740 -0.012 0.000 0.265 78 N C 1.289 176.766 175.510 -0.056 0.000 1.199 78 N CA 1.715 54.769 53.050 0.007 0.000 0.928 78 N CB 0.910 39.449 38.487 0.087 0.000 1.059 78 N HN 1.621 nan 8.380 nan 0.000 0.467 79 G N 0.918 109.736 108.800 0.031 0.000 2.213 79 G HA2 -0.272 3.681 3.960 -0.012 0.000 0.236 79 G HA3 -0.272 3.681 3.960 -0.012 0.000 0.236 79 G C 0.918 175.879 174.900 0.101 0.000 0.991 79 G CA 0.155 45.309 45.100 0.091 0.000 0.629 79 G HN 0.479 nan 8.290 nan 0.000 0.517 80 L N -0.210 121.034 121.223 0.034 0.000 2.056 80 L HA 0.048 4.381 4.340 -0.012 0.000 0.207 80 L C 3.100 179.990 176.870 0.033 0.000 1.078 80 L CA 1.921 56.779 54.840 0.030 0.000 0.749 80 L CB -0.355 41.699 42.059 -0.009 0.000 0.901 80 L HN 0.257 nan 8.230 nan 0.000 0.433 81 R N -1.246 119.261 120.500 0.010 0.000 2.096 81 R HA -0.145 4.188 4.340 -0.012 0.000 0.235 81 R C 2.381 178.689 176.300 0.014 0.000 1.127 81 R CA 1.569 57.669 56.100 -0.001 0.000 0.968 81 R CB -0.600 29.686 30.300 -0.024 0.000 0.861 81 R HN 0.414 nan 8.270 nan 0.000 0.440 82 C N -0.336 118.962 119.300 -0.004 0.000 2.446 82 C HA -0.023 4.430 4.460 -0.012 0.000 0.277 82 C C 2.634 177.571 174.990 -0.090 0.000 1.275 82 C CA 0.299 59.247 59.018 -0.117 0.000 1.727 82 C CB -0.499 27.060 27.740 -0.302 0.000 2.010 82 C HN 0.285 nan 8.230 nan 0.000 0.486 83 V N 1.532 121.477 119.914 0.051 0.000 2.407 83 V HA -0.223 3.890 4.120 -0.012 0.000 0.248 83 V C 2.689 178.933 176.094 0.249 0.000 1.055 83 V CA 2.240 64.641 62.300 0.167 0.000 1.049 83 V CB -1.229 30.715 31.823 0.201 0.000 0.662 83 V HN 0.608 nan 8.190 nan 0.000 0.455 84 A N -0.122 122.843 122.820 0.242 0.000 1.898 84 A HA -0.251 4.062 4.320 -0.012 0.000 0.216 84 A C 2.334 180.140 177.584 0.370 0.000 1.181 84 A CA 2.124 54.408 52.037 0.412 0.000 0.620 84 A CB -0.470 18.652 19.000 0.202 0.000 0.819 84 A HN 0.543 nan 8.150 nan 0.000 0.442 85 K N -1.651 118.873 120.400 0.205 0.000 2.009 85 K HA -0.232 4.081 4.320 -0.012 0.000 0.210 85 K C 1.969 178.685 176.600 0.193 0.000 1.049 85 K CA 1.960 58.344 56.287 0.162 0.000 0.929 85 K CB -0.464 32.085 32.500 0.082 0.000 0.714 85 K HN 0.500 nan 8.250 nan 0.000 0.440 86 Y N 0.759 121.108 120.300 0.082 0.000 2.145 86 Y HA -0.251 4.293 4.550 -0.011 0.000 0.286 86 Y C 2.090 178.073 175.900 0.137 0.000 1.145 86 Y CA 1.880 60.053 58.100 0.122 0.000 1.148 86 Y CB -0.413 38.058 38.460 0.018 0.000 0.981 86 Y HN 0.239 nan 8.280 nan 0.000 0.507 87 A N -0.454 122.541 122.820 0.292 0.000 1.883 87 A HA -0.298 4.015 4.320 -0.012 0.000 0.217 87 A C 2.141 179.666 177.584 -0.098 0.000 1.186 87 A CA 1.997 54.087 52.037 0.087 0.000 0.624 87 A CB -1.641 17.367 19.000 0.014 0.000 0.822 87 A HN 0.722 nan 8.150 nan 0.000 0.444 88 Y N 0.529 120.720 120.300 -0.182 0.000 2.163 88 Y HA -0.147 4.396 4.550 -0.012 0.000 0.288 88 Y C 2.328 178.127 175.900 -0.168 0.000 1.136 88 Y CA 2.200 60.178 58.100 -0.203 0.000 1.147 88 Y CB -0.191 38.230 38.460 -0.065 0.000 0.987 88 Y HN 0.463 nan 8.280 nan 0.000 0.509 89 E N -1.364 118.812 120.200 -0.039 0.000 2.204 89 E HA -0.181 4.162 4.350 -0.012 0.000 0.194 89 E C 1.172 177.511 176.600 -0.434 0.000 0.989 89 E CA 0.898 57.176 56.400 -0.204 0.000 0.824 89 E CB -0.137 29.464 29.700 -0.165 0.000 0.756 89 E HN 0.621 nan 8.360 nan 0.000 0.477 90 H N 0.265 119.094 119.070 -0.402 0.000 2.517 90 H HA 0.179 4.728 4.556 -0.012 0.000 0.282 90 H C -0.096 175.036 175.328 -0.327 0.000 1.023 90 H CA 0.186 55.998 56.048 -0.393 0.000 1.169 90 H CB 0.339 29.776 29.762 -0.543 0.000 1.454 90 H HN 0.042 nan 8.280 nan 0.000 0.556 91 K N 0.541 120.772 120.400 -0.281 0.000 3.117 91 K HA -0.173 4.140 4.320 -0.012 0.000 0.269 91 K C 0.607 177.037 176.600 -0.284 0.000 1.098 91 K CA 0.146 56.248 56.287 -0.308 0.000 0.785 91 K CB -1.674 30.672 32.500 -0.257 0.000 1.242 91 K HN 0.315 nan 8.250 nan 0.000 0.491 92 L N -0.237 120.800 121.223 -0.310 0.000 2.558 92 L HA 0.089 4.422 4.340 -0.012 0.000 0.225 92 L C 0.578 177.265 176.870 -0.305 0.000 1.128 92 L CA 0.121 54.737 54.840 -0.372 0.000 0.868 92 L CB 0.380 42.157 42.059 -0.469 0.000 1.006 92 L HN 0.009 nan 8.230 nan 0.000 0.454 93 V N -1.152 118.557 119.914 -0.342 0.000 3.007 93 V HA 0.209 4.322 4.120 -0.012 0.000 0.311 93 V C 0.232 176.153 176.094 -0.289 0.000 1.120 93 V CA -0.664 61.422 62.300 -0.357 0.000 0.980 93 V CB 2.562 33.938 31.823 -0.745 0.000 1.033 93 V HN 0.035 nan 8.190 nan 0.000 0.429 94 E N 0.644 120.749 120.200 -0.159 0.000 2.511 94 E HA 0.187 4.530 4.350 -0.012 0.000 0.209 94 E C -0.869 175.741 176.600 0.015 0.000 0.986 94 E CA 0.108 56.443 56.400 -0.108 0.000 0.974 94 E CB 0.856 30.515 29.700 -0.068 0.000 1.030 94 E HN 0.846 nan 8.360 nan 0.000 0.490 95 D N -0.668 119.809 120.400 0.128 0.000 2.493 95 D HA 0.055 4.688 4.640 -0.012 0.000 0.239 95 D C 0.941 177.503 176.300 0.437 0.000 1.049 95 D CA -0.467 53.683 54.000 0.250 0.000 1.008 95 D CB 1.146 42.054 40.800 0.181 0.000 1.398 95 D HN -0.167 nan 8.370 nan 0.000 0.513 96 T N -2.713 112.019 114.554 0.296 0.000 2.985 96 T HA 0.044 4.387 4.350 -0.012 0.000 0.266 96 T C 0.775 175.593 174.700 0.196 0.000 1.076 96 T CA 0.390 62.575 62.100 0.141 0.000 1.135 96 T CB -0.128 68.720 68.868 -0.034 0.000 0.890 96 T HN 0.172 nan 8.240 nan 0.000 0.480 97 V N 3.292 123.317 119.914 0.186 0.000 2.394 97 V HA 0.687 4.800 4.120 -0.012 0.000 0.282 97 V C -0.472 175.759 176.094 0.229 0.000 1.031 97 V CA -1.072 61.268 62.300 0.068 0.000 0.881 97 V CB 0.266 32.103 31.823 0.023 0.000 0.982 97 V HN 0.621 nan 8.190 nan 0.000 0.451 98 F N 1.373 121.341 119.950 0.030 0.000 2.817 98 F HA 0.812 5.331 4.527 -0.012 0.000 0.317 98 F C -0.373 175.448 175.800 0.035 0.000 1.168 98 F CA -0.925 57.100 58.000 0.042 0.000 0.911 98 F CB 1.578 40.617 39.000 0.066 0.000 1.337 98 F HN 0.427 nan 8.300 nan 0.000 0.464 99 T N -0.388 114.331 114.554 0.274 0.000 2.918 99 T HA 0.843 5.186 4.350 -0.012 0.000 0.286 99 T C -0.931 173.908 174.700 0.233 0.000 1.026 99 T CA -0.635 61.550 62.100 0.142 0.000 1.031 99 T CB 1.891 70.816 68.868 0.094 0.000 1.046 99 T HN 0.727 nan 8.240 nan 0.000 0.479 100 I N 1.261 121.912 120.570 0.134 0.000 2.499 100 I HA 0.346 4.509 4.170 -0.012 0.000 0.288 100 I C 0.005 176.170 176.117 0.080 0.000 1.048 100 I CA -0.791 60.595 61.300 0.144 0.000 1.062 100 I CB 2.212 40.292 38.000 0.134 0.000 1.238 100 I HN 0.759 nan 8.210 nan 0.000 0.426 101 E N 5.505 125.751 120.200 0.077 0.000 2.194 101 E HA 0.305 4.648 4.350 -0.012 0.000 0.284 101 E C -0.659 175.952 176.600 0.019 0.000 1.035 101 E CA -0.206 56.218 56.400 0.040 0.000 0.836 101 E CB 0.982 30.705 29.700 0.038 0.000 1.070 101 E HN 0.692 nan 8.360 nan 0.000 0.401 102 T N 0.970 115.522 114.554 -0.002 0.000 2.926 102 T HA 0.204 4.547 4.350 -0.012 0.000 0.289 102 T C 0.912 175.590 174.700 -0.037 0.000 1.054 102 T CA -0.896 61.189 62.100 -0.026 0.000 1.015 102 T CB 1.113 69.962 68.868 -0.032 0.000 1.167 102 T HN 0.371 nan 8.240 nan 0.000 0.526 103 L N 1.442 122.629 121.223 -0.059 0.000 2.042 103 L HA 0.092 4.425 4.340 -0.012 0.000 0.210 103 L C 2.845 179.686 176.870 -0.048 0.000 1.076 103 L CA 2.585 57.387 54.840 -0.064 0.000 0.749 103 L CB -1.318 40.686 42.059 -0.092 0.000 0.893 103 L HN 0.968 nan 8.230 nan 0.000 0.432 104 A N -1.717 121.076 122.820 -0.045 0.000 1.930 104 A HA 0.396 4.709 4.320 -0.012 0.000 0.217 104 A C 1.260 178.829 177.584 -0.025 0.000 1.175 104 A CA 1.291 53.307 52.037 -0.035 0.000 0.627 104 A CB -0.700 18.279 19.000 -0.035 0.000 0.815 104 A HN 0.593 nan 8.150 nan 0.000 0.443 105 G N -2.306 106.480 108.800 -0.022 0.000 2.341 105 G HA2 0.350 4.303 3.960 -0.012 0.000 0.293 105 G HA3 0.350 4.303 3.960 -0.012 0.000 0.293 105 G C -0.966 173.930 174.900 -0.007 0.000 1.298 105 G CA -0.596 44.496 45.100 -0.013 0.000 0.868 105 G HN 0.288 nan 8.290 nan 0.000 0.540 106 I N 0.210 120.781 120.570 0.000 0.000 2.588 106 I HA 0.413 4.576 4.170 -0.012 0.000 0.283 106 I C 0.251 176.368 176.117 0.000 0.000 1.119 106 I CA -0.320 60.985 61.300 0.009 0.000 1.419 106 I CB 1.256 39.267 38.000 0.018 0.000 1.394 106 I HN 0.235 nan 8.210 nan 0.000 0.562 107 V N 5.274 125.188 119.914 -0.001 0.000 2.604 107 V HA 0.313 4.426 4.120 -0.012 0.000 0.305 107 V C 0.034 176.103 176.094 -0.041 0.000 1.043 107 V CA -0.532 61.754 62.300 -0.023 0.000 0.888 107 V CB 2.373 34.180 31.823 -0.027 0.000 0.995 107 V HN 0.739 nan 8.190 nan 0.000 0.429 108 T N 4.372 118.886 114.554 -0.067 0.000 2.869 108 T HA 0.648 4.991 4.350 -0.012 0.000 0.295 108 T C -0.017 174.558 174.700 -0.208 0.000 0.987 108 T CA -0.055 61.973 62.100 -0.120 0.000 1.109 108 T CB 1.223 70.037 68.868 -0.090 0.000 0.932 108 T HN 0.934 nan 8.240 nan 0.000 0.518 109 A N 2.883 125.461 122.820 -0.404 0.000 2.355 109 A HA 0.694 5.007 4.320 -0.012 0.000 0.317 109 A C -0.491 176.732 177.584 -0.602 0.000 1.094 109 A CA -0.766 50.951 52.037 -0.534 0.000 0.764 109 A CB 1.233 19.788 19.000 -0.741 0.000 1.230 109 A HN 0.812 nan 8.150 nan 0.000 0.448 110 E N 1.845 121.831 120.200 -0.356 0.000 2.235 110 E HA 0.485 4.828 4.350 -0.012 0.000 0.252 110 E C -0.795 175.695 176.600 -0.183 0.000 0.886 110 E CA -0.637 55.616 56.400 -0.245 0.000 0.767 110 E CB 1.402 31.013 29.700 -0.148 0.000 1.205 110 E HN 0.742 nan 8.360 nan 0.000 0.421 111 V N 1.778 121.597 119.914 -0.159 0.000 2.607 111 V HA 0.527 4.640 4.120 -0.012 0.000 0.289 111 V C 0.025 176.016 176.094 -0.172 0.000 1.053 111 V CA -0.398 61.810 62.300 -0.152 0.000 0.996 111 V CB 1.442 33.159 31.823 -0.177 0.000 0.995 111 V HN 0.577 nan 8.190 nan 0.000 0.476 112 T N 4.427 118.900 114.554 -0.134 0.000 2.744 112 T HA 0.557 4.900 4.350 -0.012 0.000 0.291 112 T C -0.159 174.468 174.700 -0.122 0.000 0.957 112 T CA -0.305 61.728 62.100 -0.111 0.000 1.002 112 T CB 1.053 69.879 68.868 -0.071 0.000 0.919 112 T HN 0.692 nan 8.240 nan 0.000 0.468 113 V N 4.016 123.855 119.914 -0.126 0.000 2.394 113 V HA 0.306 4.419 4.120 -0.012 0.000 0.282 113 V C 0.813 176.889 176.094 -0.030 0.000 1.031 113 V CA -0.398 61.852 62.300 -0.084 0.000 0.881 113 V CB 1.490 33.267 31.823 -0.075 0.000 0.982 113 V HN 0.925 nan 8.190 nan 0.000 0.451 114 E N 2.532 122.724 120.200 -0.013 0.000 2.207 114 E HA 0.164 4.507 4.350 -0.012 0.000 0.197 114 E C 0.090 176.692 176.600 0.003 0.000 0.914 114 E CA 0.249 56.645 56.400 -0.006 0.000 0.914 114 E CB 0.594 30.290 29.700 -0.007 0.000 0.893 114 E HN 0.730 nan 8.360 nan 0.000 0.479 115 E N -0.265 119.939 120.200 0.007 0.000 3.651 115 E HA 0.248 4.591 4.350 -0.012 0.000 0.220 115 E C -0.350 176.258 176.600 0.012 0.000 1.222 115 E CA -0.005 56.400 56.400 0.008 0.000 1.114 115 E CB 1.287 30.988 29.700 0.003 0.000 1.278 115 E HN 0.424 nan 8.360 nan 0.000 0.412 116 G N 1.989 110.806 108.800 0.028 0.000 2.196 116 G HA2 -0.360 3.593 3.960 -0.012 0.000 0.268 116 G HA3 -0.360 3.593 3.960 -0.012 0.000 0.268 116 G C 0.229 175.165 174.900 0.059 0.000 0.975 116 G CA 0.689 45.815 45.100 0.044 0.000 0.648 116 G HN 0.305 nan 8.290 nan 0.000 0.538 117 K N -0.380 120.046 120.400 0.042 0.000 2.259 117 K HA 0.624 4.937 4.320 -0.012 0.000 0.252 117 K C 0.086 176.702 176.600 0.025 0.000 0.936 117 K CA -0.896 55.412 56.287 0.036 0.000 0.810 117 K CB 2.763 35.270 32.500 0.011 0.000 1.143 117 K HN 0.010 nan 8.250 nan 0.000 0.427 118 V N 3.219 123.151 119.914 0.029 0.000 2.470 118 V HA -0.009 4.104 4.120 -0.012 0.000 0.276 118 V C 1.146 177.233 176.094 -0.010 0.000 1.040 118 V CA 0.318 62.606 62.300 -0.020 0.000 1.008 118 V CB 0.769 32.590 31.823 -0.003 0.000 0.990 118 V HN 1.068 nan 8.190 nan 0.000 0.477 119 T N 3.054 117.593 114.554 -0.025 0.000 3.033 119 T HA 0.359 4.702 4.350 -0.012 0.000 0.248 119 T C 0.339 175.027 174.700 -0.020 0.000 1.040 119 T CA 0.196 62.287 62.100 -0.014 0.000 1.133 119 T CB 0.157 69.016 68.868 -0.015 0.000 0.895 119 T HN 0.294 nan 8.240 nan 0.000 0.465 120 L N 0.617 121.818 121.223 -0.037 0.000 2.409 120 L HA 0.807 5.140 4.340 -0.012 0.000 0.262 120 L C -1.087 175.748 176.870 -0.057 0.000 0.992 120 L CA -1.504 53.310 54.840 -0.044 0.000 0.817 120 L CB 2.259 44.289 42.059 -0.048 0.000 1.350 120 L HN 0.197 nan 8.230 nan 0.000 0.411 121 A N 1.862 124.647 122.820 -0.059 0.000 2.356 121 A HA 0.626 4.939 4.320 -0.012 0.000 0.310 121 A C -1.112 176.420 177.584 -0.087 0.000 1.075 121 A CA -0.614 51.378 52.037 -0.076 0.000 0.746 121 A CB 1.695 20.661 19.000 -0.056 0.000 1.221 121 A HN 0.647 nan 8.150 nan 0.000 0.443 122 K N 2.938 123.273 120.400 -0.108 0.000 2.185 122 K HA 0.616 4.929 4.320 -0.012 0.000 0.269 122 K C -1.160 175.373 176.600 -0.110 0.000 0.987 122 K CA -0.426 55.802 56.287 -0.099 0.000 0.865 122 K CB 0.560 33.005 32.500 -0.091 0.000 1.090 122 K HN 0.605 nan 8.250 nan 0.000 0.450 123 I N 2.186 122.702 120.570 -0.090 0.000 2.828 123 I HA 0.184 4.347 4.170 -0.012 0.000 0.302 123 I C -0.476 175.600 176.117 -0.067 0.000 1.101 123 I CA -0.864 60.385 61.300 -0.085 0.000 1.031 123 I CB 1.841 39.795 38.000 -0.077 0.000 1.231 123 I HN 0.684 nan 8.210 nan 0.000 0.427 124 D N 5.153 125.517 120.400 -0.059 0.000 2.312 124 D HA 0.263 4.896 4.640 -0.012 0.000 0.252 124 D C 0.350 176.625 176.300 -0.042 0.000 1.150 124 D CA -0.127 53.848 54.000 -0.042 0.000 0.870 124 D CB 1.159 41.939 40.800 -0.033 0.000 1.153 124 D HN 0.241 nan 8.370 nan 0.000 0.457 125 M N 2.149 121.724 119.600 -0.042 0.000 2.333 125 M HA 0.247 4.720 4.480 -0.012 0.000 0.257 125 M C 1.013 177.287 176.300 -0.044 0.000 1.078 125 M CA -0.159 55.110 55.300 -0.051 0.000 1.005 125 M CB -0.347 32.209 32.600 -0.074 0.000 1.444 125 M HN 0.576 nan 8.290 nan 0.000 0.496 126 G N 1.403 110.188 108.800 -0.025 0.000 2.760 126 G HA2 -0.040 3.913 3.960 -0.012 0.000 0.246 126 G HA3 -0.040 3.913 3.960 -0.012 0.000 0.246 126 G C -0.460 174.434 174.900 -0.010 0.000 1.359 126 G CA -0.501 44.593 45.100 -0.010 0.000 0.861 126 G HN 0.686 nan 8.290 nan 0.000 0.541 127 A N 1.315 124.143 122.820 0.014 0.000 2.340 127 A HA 0.830 5.143 4.320 -0.012 0.000 0.268 127 A C -0.931 176.621 177.584 -0.052 0.000 1.100 127 A CA -0.311 51.745 52.037 0.033 0.000 0.803 127 A CB 0.340 19.397 19.000 0.096 0.000 1.043 127 A HN 0.897 nan 8.150 nan 0.000 0.488 128 P HA 0.369 nan 4.420 nan 0.000 0.274 128 P C -0.991 176.274 177.300 -0.060 0.000 1.256 128 P CA -0.205 62.779 63.100 -0.192 0.000 0.795 128 P CB 0.605 32.040 31.700 -0.443 0.000 1.038 129 R N 0.714 121.195 120.500 -0.032 0.000 2.532 129 R HA 0.476 4.809 4.340 -0.012 0.000 0.297 129 R C 0.327 176.651 176.300 0.039 0.000 0.984 129 R CA -0.574 55.538 56.100 0.020 0.000 0.884 129 R CB 1.512 31.828 30.300 0.026 0.000 1.182 129 R HN 0.363 nan 8.270 nan 0.000 0.442 130 L N 0.675 121.940 121.223 0.070 0.000 2.858 130 L HA 0.246 4.579 4.340 -0.012 0.000 0.251 130 L C 0.064 177.004 176.870 0.117 0.000 1.149 130 L CA 0.064 54.968 54.840 0.106 0.000 0.955 130 L CB 1.218 43.362 42.059 0.142 0.000 1.289 130 L HN 0.549 nan 8.230 nan 0.000 0.542 131 T N -0.401 114.208 114.554 0.091 0.000 2.922 131 T HA 0.251 4.594 4.350 -0.012 0.000 0.285 131 T C 1.293 176.041 174.700 0.080 0.000 1.005 131 T CA -0.501 61.647 62.100 0.079 0.000 1.061 131 T CB 1.827 70.733 68.868 0.063 0.000 1.007 131 T HN 0.098 nan 8.240 nan 0.000 0.502 132 R N 1.650 122.193 120.500 0.072 0.000 2.083 132 R HA -0.107 4.226 4.340 -0.012 0.000 0.237 132 R C 2.447 178.790 176.300 0.072 0.000 1.137 132 R CA 1.436 57.582 56.100 0.076 0.000 0.951 132 R CB -0.800 29.532 30.300 0.053 0.000 0.851 132 R HN 0.701 nan 8.270 nan 0.000 0.434 133 A N 1.241 124.094 122.820 0.055 0.000 2.015 133 A HA -0.148 4.165 4.320 -0.012 0.000 0.219 133 A C 1.776 179.389 177.584 0.048 0.000 1.163 133 A CA 1.203 53.268 52.037 0.046 0.000 0.646 133 A CB -0.191 18.831 19.000 0.036 0.000 0.806 133 A HN 0.361 nan 8.150 nan 0.000 0.448 134 E N -0.503 119.729 120.200 0.053 0.000 2.385 134 E HA -0.022 4.321 4.350 -0.012 0.000 0.194 134 E C 1.510 178.141 176.600 0.052 0.000 1.013 134 E CA 0.075 56.503 56.400 0.047 0.000 0.866 134 E CB -0.026 29.702 29.700 0.046 0.000 0.832 134 E HN 0.494 nan 8.360 nan 0.000 0.500 135 I N 1.875 122.490 120.570 0.076 0.000 2.113 135 I HA -0.077 4.086 4.170 -0.012 0.000 0.238 135 I C -1.311 174.844 176.117 0.064 0.000 1.070 135 I CA 0.859 62.213 61.300 0.090 0.000 1.332 135 I CB -2.237 35.862 38.000 0.165 0.000 1.044 135 I HN 0.018 nan 8.210 nan 0.000 0.402 136 P HA 0.312 nan 4.420 nan 0.000 0.284 136 P C -0.642 176.768 177.300 0.184 0.000 1.258 136 P CA -0.306 62.859 63.100 0.109 0.000 0.824 136 P CB 2.160 33.905 31.700 0.074 0.000 1.038 137 M N 2.152 121.833 119.600 0.136 0.000 2.371 137 M HA 0.337 4.810 4.480 -0.012 0.000 0.287 137 M C -1.400 174.911 176.300 0.019 0.000 1.149 137 M CA -0.861 54.497 55.300 0.097 0.000 0.929 137 M CB 1.804 34.501 32.600 0.163 0.000 1.683 137 M HN 0.163 nan 8.290 nan 0.000 0.470 138 L N 2.913 124.110 121.223 -0.044 0.000 2.468 138 L HA 0.890 5.223 4.340 -0.012 0.000 0.254 138 L C 0.861 177.719 176.870 -0.019 0.000 1.171 138 L CA 0.244 55.070 54.840 -0.023 0.000 0.809 138 L CB 0.933 42.975 42.059 -0.029 0.000 1.155 138 L HN 0.990 nan 8.230 nan 0.000 0.473 139 G N 1.010 109.809 108.800 -0.002 0.000 2.566 139 G HA2 -0.107 3.846 3.960 -0.012 0.000 0.599 139 G HA3 -0.107 3.846 3.960 -0.012 0.000 0.599 139 G C -1.170 173.734 174.900 0.007 0.000 1.292 139 G CA -0.777 44.325 45.100 0.004 0.000 0.922 139 G HN 0.590 nan 8.290 nan 0.000 0.514 140 E N -0.670 119.532 120.200 0.004 0.000 2.288 140 E HA 0.631 4.974 4.350 -0.012 0.000 0.268 140 E C 0.022 176.617 176.600 -0.008 0.000 0.885 140 E CA -0.391 56.009 56.400 0.001 0.000 0.767 140 E CB 2.134 31.834 29.700 0.001 0.000 1.220 140 E HN 2.238 nan 8.360 nan 0.000 0.427 141 G N 1.996 110.789 108.800 -0.010 0.000 2.881 141 G HA2 -0.055 3.898 3.960 -0.012 0.000 0.597 141 G HA3 -0.055 3.898 3.960 -0.012 0.000 0.597 141 G C -0.350 174.532 174.900 -0.029 0.000 1.188 141 G CA -0.702 44.380 45.100 -0.030 0.000 1.218 141 G HN 0.581 nan 8.290 nan 0.000 0.544 142 E N 0.054 120.243 120.200 -0.019 0.000 2.743 142 E HA 0.192 4.535 4.350 -0.012 0.000 0.222 142 E C 0.223 176.826 176.600 0.004 0.000 0.959 142 E CA -0.007 56.396 56.400 0.006 0.000 1.198 142 E CB 1.292 31.017 29.700 0.042 0.000 1.100 142 E HN 0.431 nan 8.360 nan 0.000 0.518 143 T N 1.884 116.416 114.554 -0.037 0.000 2.786 143 T HA 0.218 4.561 4.350 -0.012 0.000 0.283 143 T C -1.581 173.064 174.700 -0.092 0.000 0.992 143 T CA -1.267 60.820 62.100 -0.022 0.000 0.954 143 T CB 1.632 70.496 68.868 -0.007 0.000 0.934 143 T HN -0.054 nan 8.240 nan 0.000 0.440 144 P HA 0.125 nan 4.420 nan 0.000 0.222 144 P C -0.016 177.428 177.300 0.241 0.000 1.153 144 P CA 0.657 63.815 63.100 0.097 0.000 0.798 144 P CB 0.072 31.892 31.700 0.199 0.000 0.796 145 F N -2.479 117.498 119.950 0.046 0.000 2.923 145 F HA 0.530 5.050 4.527 -0.012 0.000 0.323 145 F C -0.869 174.947 175.800 0.027 0.000 1.189 145 F CA -1.814 56.217 58.000 0.052 0.000 0.930 145 F CB 0.393 39.439 39.000 0.076 0.000 1.414 145 F HN -0.449 nan 8.300 nan 0.000 0.496 146 I N 2.632 123.318 120.570 0.194 0.000 2.322 146 I HA 0.394 4.557 4.170 -0.012 0.000 0.292 146 I C -0.247 175.882 176.117 0.020 0.000 1.060 146 I CA -0.154 61.169 61.300 0.040 0.000 1.309 146 I CB 0.725 38.788 38.000 0.105 0.000 1.415 146 I HN 0.494 nan 8.210 nan 0.000 0.492 147 R N 5.697 126.073 120.500 -0.207 0.000 2.502 147 R HA 0.435 4.768 4.340 -0.012 0.000 0.300 147 R C -1.238 174.870 176.300 -0.320 0.000 0.984 147 R CA -0.538 55.434 56.100 -0.214 0.000 0.882 147 R CB 1.802 32.020 30.300 -0.137 0.000 1.180 147 R HN 0.479 nan 8.270 nan 0.000 0.444 148 E N 2.236 122.100 120.200 -0.561 0.000 2.317 148 E HA 0.333 4.676 4.350 -0.012 0.000 0.270 148 E C -0.799 175.667 176.600 -0.222 0.000 0.885 148 E CA -0.904 55.254 56.400 -0.404 0.000 0.760 148 E CB 1.899 31.353 29.700 -0.410 0.000 1.227 148 E HN 0.537 nan 8.360 nan 0.000 0.434 149 N N 0.926 119.637 118.700 0.019 0.000 2.424 149 N HA 0.330 5.063 4.740 -0.012 0.000 0.257 149 N C -0.732 175.024 175.510 0.409 0.000 1.250 149 N CA 0.131 53.293 53.050 0.186 0.000 0.946 149 N CB 0.551 39.111 38.487 0.120 0.000 1.175 149 N HN 0.316 nan 8.380 nan 0.000 0.477 150 F N 0.813 120.923 119.950 0.266 0.000 2.787 150 F HA 0.349 4.869 4.527 -0.012 0.000 0.340 150 F C -1.171 174.827 175.800 0.330 0.000 1.232 150 F CA -0.611 57.557 58.000 0.280 0.000 1.051 150 F CB 0.758 39.950 39.000 0.319 0.000 1.330 150 F HN 0.219 nan 8.300 nan 0.000 0.522 151 L N 6.373 127.544 121.223 -0.087 0.000 2.313 151 L HA 0.244 4.577 4.340 -0.012 0.000 0.282 151 L C -1.361 175.499 176.870 -0.015 0.000 1.092 151 L CA -0.323 54.522 54.840 0.008 0.000 0.831 151 L CB 0.675 42.704 42.059 -0.050 0.000 1.159 151 L HN 0.628 nan 8.230 nan 0.000 0.442 152 Y N 4.845 125.234 120.300 0.149 0.000 2.332 152 Y HA 0.209 4.752 4.550 -0.011 0.000 0.325 152 Y C 0.197 176.244 175.900 0.244 0.000 1.054 152 Y CA -1.173 57.008 58.100 0.135 0.000 1.119 152 Y CB 0.946 39.485 38.460 0.131 0.000 1.168 152 Y HN 0.701 nan 8.280 nan 0.000 0.439 153 N N 4.520 123.057 118.700 -0.272 0.000 2.708 153 N HA -0.251 4.482 4.740 -0.012 0.000 0.255 153 N C -0.724 174.805 175.510 0.031 0.000 1.046 153 N CA 1.345 54.288 53.050 -0.179 0.000 0.715 153 N CB -1.203 37.150 38.487 -0.223 0.000 0.895 153 N HN 0.819 nan 8.380 nan 0.000 0.545 154 N N -0.632 118.083 118.700 0.025 0.000 2.725 154 N HA -0.277 4.456 4.740 -0.012 0.000 0.249 154 N C -0.934 174.636 175.510 0.100 0.000 1.103 154 N CA 1.653 54.728 53.050 0.043 0.000 0.707 154 N CB -1.454 37.045 38.487 0.021 0.000 1.043 154 N HN 0.916 nan 8.380 nan 0.000 0.553 155 H N -0.770 118.326 119.070 0.043 0.000 2.966 155 H HA 0.409 4.958 4.556 -0.011 0.000 0.347 155 H C -0.444 174.863 175.328 -0.034 0.000 1.048 155 H CA -0.692 55.334 56.048 -0.037 0.000 1.295 155 H CB 1.061 30.754 29.762 -0.115 0.000 1.744 155 H HN 0.047 nan 8.280 nan 0.000 0.513 156 R N 4.673 125.008 120.500 -0.275 0.000 2.248 156 R HA 0.186 4.519 4.340 -0.012 0.000 0.337 156 R C -0.990 175.317 176.300 0.011 0.000 1.085 156 R CA -0.202 55.868 56.100 -0.050 0.000 0.934 156 R CB -0.002 30.233 30.300 -0.107 0.000 1.034 156 R HN 0.478 nan 8.270 nan 0.000 0.465 157 Y N 1.372 121.874 120.300 0.336 0.000 2.374 157 Y HA 0.551 5.095 4.550 -0.010 0.000 0.322 157 Y C 0.427 176.517 175.900 0.317 0.000 1.275 157 Y CA -0.721 57.601 58.100 0.369 0.000 1.307 157 Y CB 1.655 40.365 38.460 0.417 0.000 1.282 157 Y HN 0.530 nan 8.280 nan 0.000 0.509 158 A N 2.297 125.392 122.820 0.459 0.000 2.375 158 A HA 0.684 4.997 4.320 -0.012 0.000 0.295 158 A C -1.465 176.334 177.584 0.359 0.000 1.066 158 A CA -0.593 51.632 52.037 0.313 0.000 0.722 158 A CB 0.048 19.172 19.000 0.206 0.000 1.206 158 A HN 0.633 nan 8.150 nan 0.000 0.435 159 F N 0.320 120.380 119.950 0.183 0.000 2.538 159 F HA 0.882 5.404 4.527 -0.009 0.000 0.325 159 F C -0.206 175.695 175.800 0.168 0.000 1.066 159 F CA -0.702 57.369 58.000 0.119 0.000 0.946 159 F CB 1.815 40.807 39.000 -0.013 0.000 1.199 159 F HN 0.263 nan 8.300 nan 0.000 0.473 160 T N 2.600 117.316 114.554 0.271 0.000 2.786 160 T HA 0.683 5.026 4.350 -0.012 0.000 0.283 160 T C -0.288 174.588 174.700 0.293 0.000 0.992 160 T CA -0.475 61.773 62.100 0.247 0.000 0.954 160 T CB 1.147 70.202 68.868 0.311 0.000 0.934 160 T HN 0.933 nan 8.240 nan 0.000 0.440 161 A N 3.385 126.383 122.820 0.297 0.000 2.328 161 A HA 0.722 5.035 4.320 -0.012 0.000 0.284 161 A C -0.346 177.350 177.584 0.187 0.000 1.160 161 A CA -0.429 51.787 52.037 0.299 0.000 0.818 161 A CB 0.278 19.502 19.000 0.374 0.000 1.087 161 A HN 0.701 nan 8.150 nan 0.000 0.504 162 V N 1.664 121.660 119.914 0.138 0.000 2.851 162 V HA 0.516 4.629 4.120 -0.012 0.000 0.307 162 V C -0.021 176.138 176.094 0.108 0.000 1.129 162 V CA -0.591 61.753 62.300 0.073 0.000 0.932 162 V CB 2.067 33.881 31.823 -0.016 0.000 1.024 162 V HN 0.934 nan 8.190 nan 0.000 0.426 163 S N 4.628 120.368 115.700 0.067 0.000 2.451 163 S HA 0.616 5.079 4.470 -0.012 0.000 0.301 163 S C 0.007 174.637 174.600 0.049 0.000 1.116 163 S CA -0.631 57.613 58.200 0.074 0.000 1.093 163 S CB 0.853 64.073 63.200 0.034 0.000 1.017 163 S HN 0.616 nan 8.310 nan 0.000 0.482 164 M N 4.435 124.098 119.600 0.105 0.000 2.972 164 M HA 0.286 4.759 4.480 -0.012 0.000 0.323 164 M C 1.312 177.627 176.300 0.024 0.000 1.213 164 M CA 0.278 55.589 55.300 0.019 0.000 0.935 164 M CB -0.390 32.195 32.600 -0.025 0.000 1.289 164 M HN 1.089 nan 8.290 nan 0.000 0.525 165 G N 1.898 110.707 108.800 0.015 0.000 2.241 165 G HA2 -0.258 3.695 3.960 -0.012 0.000 0.244 165 G HA3 -0.258 3.695 3.960 -0.012 0.000 0.244 165 G C 0.016 174.909 174.900 -0.012 0.000 0.998 165 G CA 0.334 45.435 45.100 0.001 0.000 0.621 165 G HN 0.619 nan 8.290 nan 0.000 0.519 166 N N -0.178 118.513 118.700 -0.015 0.000 2.416 166 N HA 0.692 5.425 4.740 -0.012 0.000 0.276 166 N C -3.496 171.862 175.510 -0.253 0.000 1.261 166 N CA -2.107 50.872 53.050 -0.118 0.000 0.790 166 N CB 3.192 41.600 38.487 -0.131 0.000 1.554 166 N HN 0.075 nan 8.380 nan 0.000 0.481 167 P HA 0.208 nan 4.420 nan 0.000 0.280 167 P C -1.333 175.556 177.300 -0.684 0.000 1.244 167 P CA 0.263 63.156 63.100 -0.345 0.000 0.784 167 P CB 0.670 32.230 31.700 -0.233 0.000 0.913 168 H N 0.771 119.758 119.070 -0.138 0.000 2.717 168 H HA 0.604 5.152 4.556 -0.013 0.000 0.366 168 H C -0.727 174.505 175.328 -0.161 0.000 1.132 168 H CA -0.774 55.178 56.048 -0.160 0.000 1.180 168 H CB 2.590 32.292 29.762 -0.100 0.000 1.678 168 H HN 0.468 nan 8.280 nan 0.000 0.537 169 A N 2.910 125.647 122.820 -0.139 0.000 2.311 169 A HA 0.525 4.838 4.320 -0.012 0.000 0.306 169 A C -0.649 176.853 177.584 -0.136 0.000 1.189 169 A CA -0.628 51.341 52.037 -0.112 0.000 0.791 169 A CB 0.728 19.433 19.000 -0.491 0.000 1.172 169 A HN 0.342 nan 8.150 nan 0.000 0.481 170 V N 4.339 124.245 119.914 -0.014 0.000 2.347 170 V HA 0.393 4.506 4.120 -0.012 0.000 0.280 170 V C -0.290 175.728 176.094 -0.128 0.000 1.021 170 V CA -0.120 62.086 62.300 -0.156 0.000 0.847 170 V CB 0.843 32.573 31.823 -0.155 0.000 0.990 170 V HN 0.739 nan 8.190 nan 0.000 0.444 171 I N 4.837 125.240 120.570 -0.279 0.000 2.377 171 I HA 0.464 4.627 4.170 -0.012 0.000 0.293 171 I C -0.526 175.536 176.117 -0.092 0.000 0.987 171 I CA -0.257 60.999 61.300 -0.072 0.000 1.185 171 I CB 1.507 39.417 38.000 -0.150 0.000 1.341 171 I HN 0.386 nan 8.210 nan 0.000 0.455 172 F N 5.858 125.898 119.950 0.151 0.000 2.420 172 F HA 0.453 4.974 4.527 -0.009 0.000 0.352 172 F C 0.395 176.313 175.800 0.197 0.000 1.108 172 F CA -0.654 57.439 58.000 0.154 0.000 1.162 172 F CB 1.185 40.262 39.000 0.129 0.000 1.118 172 F HN 0.156 nan 8.300 nan 0.000 0.510 173 V N -0.334 119.770 119.914 0.316 0.000 2.769 173 V HA 0.491 4.604 4.120 -0.012 0.000 0.312 173 V C -0.127 176.088 176.094 0.201 0.000 1.058 173 V CA -0.742 61.711 62.300 0.256 0.000 0.952 173 V CB 1.857 33.812 31.823 0.219 0.000 1.019 173 V HN 0.608 nan 8.190 nan 0.000 0.445 174 D N 0.716 121.206 120.400 0.151 0.000 2.103 174 D HA 0.039 4.672 4.640 -0.012 0.000 0.199 174 D C 0.291 176.645 176.300 0.090 0.000 0.978 174 D CA 1.869 55.937 54.000 0.113 0.000 0.829 174 D CB 0.193 41.045 40.800 0.086 0.000 0.981 174 D HN 0.818 nan 8.370 nan 0.000 0.464 175 D N -0.593 119.851 120.400 0.073 0.000 2.481 175 D HA 0.076 4.709 4.640 -0.012 0.000 0.246 175 D C 1.194 177.519 176.300 0.042 0.000 1.109 175 D CA -0.379 53.651 54.000 0.050 0.000 0.845 175 D CB 1.985 42.803 40.800 0.030 0.000 1.160 175 D HN -0.104 nan 8.370 nan 0.000 0.534 176 V N 1.944 121.886 119.914 0.045 0.000 2.759 176 V HA -0.112 4.001 4.120 -0.012 0.000 0.256 176 V C 1.717 177.801 176.094 -0.016 0.000 1.080 176 V CA 1.199 63.517 62.300 0.029 0.000 1.101 176 V CB -0.600 31.251 31.823 0.047 0.000 0.698 176 V HN 0.348 nan 8.190 nan 0.000 0.477 177 E N 0.581 120.775 120.200 -0.011 0.000 2.152 177 E HA -0.106 4.237 4.350 -0.012 0.000 0.192 177 E C 1.818 178.387 176.600 -0.052 0.000 0.983 177 E CA 0.938 57.322 56.400 -0.027 0.000 0.818 177 E CB -0.175 29.518 29.700 -0.012 0.000 0.758 177 E HN 0.698 nan 8.360 nan 0.000 0.467 178 Q N -0.004 119.768 119.800 -0.046 0.000 2.286 178 Q HA 0.336 4.669 4.340 -0.012 0.000 0.281 178 Q C -1.005 174.935 176.000 -0.100 0.000 0.897 178 Q CA -0.460 55.306 55.803 -0.062 0.000 1.023 178 Q CB 1.141 29.861 28.738 -0.031 0.000 1.151 178 Q HN 0.100 nan 8.270 nan 0.000 0.445 179 A N 2.020 124.731 122.820 -0.182 0.000 2.409 179 A HA 0.330 4.643 4.320 -0.012 0.000 0.262 179 A C -1.995 175.243 177.584 -0.577 0.000 1.113 179 A CA -1.315 50.490 52.037 -0.387 0.000 0.790 179 A CB 0.038 18.735 19.000 -0.507 0.000 1.046 179 A HN 0.146 nan 8.150 nan 0.000 0.496 180 P HA 0.044 nan 4.420 nan 0.000 0.231 180 P C 0.550 177.414 177.300 -0.727 0.000 1.756 180 P CA -0.075 62.734 63.100 -0.486 0.000 0.990 180 P CB 0.162 31.698 31.700 -0.273 0.000 1.973 181 L N 2.149 122.936 121.223 -0.726 0.000 2.044 181 L HA -0.060 4.273 4.340 -0.012 0.000 0.205 181 L C 1.987 178.622 176.870 -0.391 0.000 1.075 181 L CA 2.142 56.648 54.840 -0.558 0.000 0.747 181 L CB -1.105 40.756 42.059 -0.329 0.000 0.903 181 L HN 0.017 nan 8.230 nan 0.000 0.435 182 T N -2.373 111.990 114.554 -0.319 0.000 3.035 182 T HA -0.088 4.255 4.350 -0.012 0.000 0.268 182 T C 1.635 176.096 174.700 -0.399 0.000 1.109 182 T CA 1.409 63.310 62.100 -0.333 0.000 1.119 182 T CB -0.143 68.639 68.868 -0.144 0.000 0.900 182 T HN 0.435 nan 8.240 nan 0.000 0.503 183 T N 0.337 114.683 114.554 -0.347 0.000 3.085 183 T HA 0.232 4.575 4.350 -0.012 0.000 0.241 183 T C 1.498 175.961 174.700 -0.395 0.000 0.988 183 T CA -0.097 61.872 62.100 -0.217 0.000 1.117 183 T CB -0.098 68.759 68.868 -0.019 0.000 0.978 183 T HN 0.153 nan 8.240 nan 0.000 0.454 184 L N 1.148 122.018 121.223 -0.588 0.000 2.249 184 L HA 0.477 4.810 4.340 -0.012 0.000 0.207 184 L C 2.325 178.903 176.870 -0.487 0.000 1.090 184 L CA 1.894 56.254 54.840 -0.801 0.000 0.802 184 L CB -1.091 40.509 42.059 -0.765 0.000 0.947 184 L HN 0.313 nan 8.230 nan 0.000 0.453 185 G N 0.744 109.292 108.800 -0.420 0.000 2.586 185 G HA2 -0.241 3.712 3.960 -0.012 0.000 0.218 185 G HA3 -0.241 3.712 3.960 -0.012 0.000 0.218 185 G C -0.642 173.750 174.900 -0.847 0.000 1.216 185 G CA 1.142 45.903 45.100 -0.565 0.000 0.786 185 G HN 0.385 nan 8.290 nan 0.000 0.583 186 P HA -0.057 nan 4.420 nan 0.000 0.217 186 P C 2.330 179.525 177.300 -0.176 0.000 1.150 186 P CA 1.879 64.642 63.100 -0.562 0.000 0.832 186 P CB -0.349 31.034 31.700 -0.528 0.000 0.787 187 V N -3.063 116.738 119.914 -0.187 0.000 2.719 187 V HA -0.089 4.024 4.120 -0.012 0.000 0.252 187 V C 2.051 178.176 176.094 0.053 0.000 1.065 187 V CA 1.280 63.577 62.300 -0.005 0.000 1.086 187 V CB -1.563 30.305 31.823 0.075 0.000 0.700 187 V HN -0.051 nan 8.190 nan 0.000 0.467 188 L N 0.669 121.821 121.223 -0.119 0.000 2.209 188 L HA 0.117 4.450 4.340 -0.012 0.000 0.207 188 L C 2.502 179.313 176.870 -0.098 0.000 1.094 188 L CA 2.028 56.735 54.840 -0.222 0.000 0.790 188 L CB -0.700 41.020 42.059 -0.565 0.000 0.932 188 L HN 0.502 nan 8.230 nan 0.000 0.447 189 E N -0.499 119.656 120.200 -0.076 0.000 2.049 189 E HA -0.260 4.083 4.350 -0.012 0.000 0.198 189 E C 1.073 177.718 176.600 0.076 0.000 1.007 189 E CA 1.994 58.395 56.400 0.001 0.000 0.809 189 E CB -0.069 29.755 29.700 0.207 0.000 0.749 189 E HN 0.576 nan 8.360 nan 0.000 0.450 190 T N -1.390 113.236 114.554 0.120 0.000 3.251 190 T HA 0.087 4.430 4.350 -0.012 0.000 0.259 190 T C 0.410 175.206 174.700 0.160 0.000 0.998 190 T CA -0.549 61.629 62.100 0.130 0.000 0.905 190 T CB -0.203 68.720 68.868 0.093 0.000 1.067 190 T HN 0.126 nan 8.240 nan 0.000 0.569 191 H N 2.207 121.366 119.070 0.148 0.000 2.732 191 H HA 0.056 4.604 4.556 -0.013 0.000 0.351 191 H C 1.351 176.720 175.328 0.069 0.000 1.090 191 H CA 0.857 56.978 56.048 0.122 0.000 1.431 191 H CB 1.194 31.026 29.762 0.116 0.000 1.447 191 H HN 0.590 nan 8.280 nan 0.000 0.582 192 E N 3.289 123.278 120.200 -0.352 0.000 2.169 192 E HA -0.329 4.014 4.350 -0.012 0.000 0.202 192 E C 1.954 178.514 176.600 -0.066 0.000 1.016 192 E CA 2.242 58.534 56.400 -0.181 0.000 0.817 192 E CB -0.419 29.135 29.700 -0.243 0.000 0.736 192 E HN 0.777 nan 8.360 nan 0.000 0.462 193 M N -0.862 118.713 119.600 -0.043 0.000 2.619 193 M HA 0.172 4.645 4.480 -0.012 0.000 0.251 193 M C -0.266 175.784 176.300 -0.417 0.000 1.106 193 M CA 0.679 55.848 55.300 -0.219 0.000 1.086 193 M CB 0.111 32.542 32.600 -0.281 0.000 1.465 193 M HN -0.109 nan 8.290 nan 0.000 0.506 194 F N 1.646 121.638 119.950 0.071 0.000 2.310 194 F HA 0.450 4.971 4.527 -0.010 0.000 0.365 194 F C -1.962 173.843 175.800 0.009 0.000 1.080 194 F CA -2.780 55.233 58.000 0.021 0.000 1.187 194 F CB 0.351 39.340 39.000 -0.018 0.000 1.465 194 F HN -0.092 nan 8.300 nan 0.000 0.496 195 P HA -0.182 nan 4.420 nan 0.000 0.217 195 P C 0.553 177.897 177.300 0.073 0.000 1.148 195 P CA 1.560 64.707 63.100 0.079 0.000 0.828 195 P CB 0.297 32.030 31.700 0.055 0.000 0.783 196 E N -1.262 118.988 120.200 0.083 0.000 2.496 196 E HA 0.190 4.533 4.350 -0.012 0.000 0.200 196 E C 0.029 176.639 176.600 0.017 0.000 1.016 196 E CA -0.268 56.154 56.400 0.037 0.000 0.962 196 E CB 0.246 29.955 29.700 0.016 0.000 1.071 196 E HN 0.129 nan 8.360 nan 0.000 0.457 197 R N -1.150 119.386 120.500 0.059 0.000 3.847 197 R HA -0.183 4.150 4.340 -0.012 0.000 0.489 197 R C -0.778 175.427 176.300 -0.157 0.000 0.241 197 R CA 0.784 56.889 56.100 0.008 0.000 1.532 197 R CB -0.795 29.496 30.300 -0.014 0.000 1.049 197 R HN 0.117 nan 8.270 nan 0.000 0.543 198 V N 0.598 120.336 119.914 -0.293 0.000 3.023 198 V HA 0.321 4.434 4.120 -0.012 0.000 0.294 198 V C -1.324 174.555 176.094 -0.358 0.000 1.324 198 V CA -0.880 61.118 62.300 -0.504 0.000 0.979 198 V CB 2.264 33.402 31.823 -1.142 0.000 1.093 198 V HN 0.684 nan 8.190 nan 0.000 0.434 199 N N 3.419 121.910 118.700 -0.349 0.000 2.497 199 N HA 0.415 5.148 4.740 -0.012 0.000 0.271 199 N C -0.774 174.634 175.510 -0.170 0.000 1.142 199 N CA -0.062 52.871 53.050 -0.193 0.000 0.965 199 N CB 1.929 40.339 38.487 -0.129 0.000 1.077 199 N HN 0.454 nan 8.380 nan 0.000 0.462 200 V N 2.488 122.344 119.914 -0.097 0.000 2.334 200 V HA 0.227 4.340 4.120 -0.012 0.000 0.281 200 V C -0.286 175.644 176.094 -0.273 0.000 1.016 200 V CA -0.689 61.465 62.300 -0.243 0.000 0.832 200 V CB 1.202 32.867 31.823 -0.262 0.000 0.999 200 V HN 0.530 nan 8.190 nan 0.000 0.439 201 E N 4.388 124.351 120.200 -0.395 0.000 2.151 201 E HA 0.609 4.952 4.350 -0.012 0.000 0.275 201 E C -1.194 175.058 176.600 -0.581 0.000 0.936 201 E CA -0.213 55.930 56.400 -0.427 0.000 0.777 201 E CB 1.476 31.010 29.700 -0.277 0.000 1.108 201 E HN 0.496 nan 8.360 nan 0.000 0.401 202 F N 3.856 123.625 119.950 -0.301 0.000 2.415 202 F HA 0.479 4.997 4.527 -0.014 0.000 0.348 202 F C 0.330 175.995 175.800 -0.225 0.000 1.119 202 F CA -1.026 56.850 58.000 -0.207 0.000 1.069 202 F CB 0.716 39.633 39.000 -0.139 0.000 1.124 202 F HN 0.319 nan 8.300 nan 0.000 0.472 203 I N -0.126 120.423 120.570 -0.036 0.000 2.647 203 I HA 0.592 4.755 4.170 -0.012 0.000 0.295 203 I C -1.302 174.864 176.117 0.081 0.000 1.078 203 I CA -0.784 60.510 61.300 -0.010 0.000 1.048 203 I CB 2.447 40.407 38.000 -0.066 0.000 1.239 203 I HN 0.597 nan 8.210 nan 0.000 0.421 204 E N 6.538 126.817 120.200 0.132 0.000 2.129 204 E HA 0.353 4.696 4.350 -0.012 0.000 0.268 204 E C -1.138 175.570 176.600 0.179 0.000 0.900 204 E CA -0.890 55.610 56.400 0.167 0.000 0.755 204 E CB 1.480 31.258 29.700 0.130 0.000 1.117 204 E HN 0.569 nan 8.360 nan 0.000 0.410 205 I N 6.738 127.442 120.570 0.223 0.000 2.436 205 I HA -0.009 4.154 4.170 -0.012 0.000 0.289 205 I C 1.266 177.469 176.117 0.143 0.000 1.083 205 I CA 0.276 61.695 61.300 0.198 0.000 1.372 205 I CB 0.352 38.490 38.000 0.230 0.000 1.408 205 I HN 0.784 nan 8.210 nan 0.000 0.516 206 L N 5.773 127.073 121.223 0.128 0.000 2.084 206 L HA -0.059 4.274 4.340 -0.012 0.000 0.202 206 L C 0.913 177.833 176.870 0.083 0.000 1.074 206 L CA 0.919 55.819 54.840 0.100 0.000 0.757 206 L CB -0.325 41.796 42.059 0.102 0.000 0.918 206 L HN 0.715 nan 8.230 nan 0.000 0.444 207 N N -1.839 116.912 118.700 0.085 0.000 3.649 207 N HA 0.049 4.782 4.740 -0.012 0.000 0.342 207 N C 0.181 175.732 175.510 0.068 0.000 1.609 207 N CA -0.652 52.438 53.050 0.067 0.000 0.692 207 N CB 0.233 38.753 38.487 0.055 0.000 2.712 207 N HN -0.151 nan 8.380 nan 0.000 0.598 208 E N -0.508 119.723 120.200 0.053 0.000 2.489 208 E HA 0.085 4.428 4.350 -0.012 0.000 0.193 208 E C -0.428 176.201 176.600 0.048 0.000 1.057 208 E CA 0.461 56.891 56.400 0.049 0.000 0.866 208 E CB 0.067 29.788 29.700 0.034 0.000 0.916 208 E HN 0.548 nan 8.360 nan 0.000 0.500 209 E N 0.310 120.540 120.200 0.050 0.000 2.945 209 E HA 0.200 4.543 4.350 -0.012 0.000 0.196 209 E C -0.510 176.116 176.600 0.043 0.000 0.965 209 E CA -0.048 56.375 56.400 0.039 0.000 1.270 209 E CB 1.025 30.741 29.700 0.028 0.000 1.045 209 E HN -0.038 nan 8.360 nan 0.000 0.474 210 E N 1.784 122.026 120.200 0.070 0.000 2.335 210 E HA 0.449 4.792 4.350 -0.012 0.000 0.280 210 E C -1.475 175.205 176.600 0.134 0.000 0.918 210 E CA -0.568 55.892 56.400 0.100 0.000 0.765 210 E CB 1.657 31.445 29.700 0.145 0.000 1.218 210 E HN 0.167 nan 8.360 nan 0.000 0.425 211 M N 1.538 121.232 119.600 0.157 0.000 2.465 211 M HA 0.578 5.051 4.480 -0.012 0.000 0.284 211 M C -1.484 174.969 176.300 0.254 0.000 1.212 211 M CA -0.922 54.489 55.300 0.185 0.000 0.910 211 M CB 1.965 34.654 32.600 0.150 0.000 1.725 211 M HN 0.092 nan 8.290 nan 0.000 0.477 212 N N 1.240 120.084 118.700 0.239 0.000 2.492 212 N HA 0.663 5.396 4.740 -0.012 0.000 0.289 212 N C -2.045 173.624 175.510 0.264 0.000 1.133 212 N CA -0.111 53.089 53.050 0.250 0.000 0.961 212 N CB 2.144 40.727 38.487 0.160 0.000 1.186 212 N HN 0.702 nan 8.380 nan 0.000 0.493 213 F N 1.213 121.213 119.950 0.083 0.000 2.573 213 F HA 0.430 4.949 4.527 -0.014 0.000 0.316 213 F C -0.945 174.897 175.800 0.070 0.000 1.148 213 F CA -0.720 57.313 58.000 0.054 0.000 0.940 213 F CB 1.189 40.203 39.000 0.023 0.000 1.214 213 F HN 0.272 nan 8.300 nan 0.000 0.448 214 R N 4.743 124.956 120.500 -0.478 0.000 2.686 214 R HA 0.769 5.102 4.340 -0.012 0.000 0.283 214 R C -1.871 174.093 176.300 -0.560 0.000 0.978 214 R CA -1.284 54.607 56.100 -0.348 0.000 0.897 214 R CB 2.629 32.878 30.300 -0.084 0.000 1.192 214 R HN 0.488 nan 8.270 nan 0.000 0.457 215 V N 3.098 122.823 119.914 -0.315 0.000 2.680 215 V HA 0.457 4.570 4.120 -0.012 0.000 0.309 215 V C -1.245 174.900 176.094 0.084 0.000 1.052 215 V CA -0.680 61.524 62.300 -0.160 0.000 0.908 215 V CB 2.041 33.829 31.823 -0.058 0.000 1.001 215 V HN 0.831 nan 8.190 nan 0.000 0.431 216 W N 7.057 128.332 121.300 -0.042 0.000 2.295 216 W HA 0.443 5.099 4.660 -0.007 0.000 0.333 216 W C -0.015 176.469 176.519 -0.058 0.000 0.990 216 W CA -0.634 56.694 57.345 -0.028 0.000 1.453 216 W CB 0.833 30.294 29.460 0.001 0.000 1.263 216 W HN 0.713 nan 8.180 nan 0.000 0.380 217 E N 3.691 123.631 120.200 -0.432 0.000 2.415 217 E HA -0.067 4.276 4.350 -0.012 0.000 0.262 217 E C 0.673 176.997 176.600 -0.459 0.000 1.038 217 E CA 0.222 56.410 56.400 -0.354 0.000 0.921 217 E CB 1.327 30.856 29.700 -0.285 0.000 0.950 217 E HN 0.437 nan 8.360 nan 0.000 0.438 227 G N 2.265 111.016 108.800 -0.081 0.000 2.539 227 G HA2 0.028 3.981 3.960 -0.012 0.000 0.215 227 G HA3 0.028 3.981 3.960 -0.012 0.000 0.215 227 G C 1.444 176.243 174.900 -0.168 0.000 1.141 227 G CA 1.432 46.443 45.100 -0.149 0.000 0.806 227 G HN 0.971 nan 8.290 nan 0.000 0.533 228 T N -1.539 112.952 114.554 -0.105 0.000 3.023 228 T HA 0.123 4.466 4.350 -0.012 0.000 0.266 228 T C 2.379 176.841 174.700 -0.396 0.000 1.093 228 T CA 1.312 63.327 62.100 -0.141 0.000 1.129 228 T CB -0.088 68.803 68.868 0.039 0.000 0.899 228 T HN 0.142 nan 8.240 nan 0.000 0.491 229 G N 1.339 109.996 108.800 -0.238 0.000 2.402 229 G HA2 0.108 4.061 3.960 -0.012 0.000 0.216 229 G HA3 0.108 4.061 3.960 -0.012 0.000 0.216 229 G C 1.865 176.633 174.900 -0.219 0.000 1.162 229 G CA 0.622 45.606 45.100 -0.193 0.000 0.777 229 G HN 0.685 nan 8.290 nan 0.000 0.539 230 A N -0.055 122.473 122.820 -0.487 0.000 1.930 230 A HA -0.014 4.299 4.320 -0.012 0.000 0.217 230 A C 2.570 179.930 177.584 -0.373 0.000 1.175 230 A CA 1.686 53.294 52.037 -0.714 0.000 0.627 230 A CB -0.908 17.616 19.000 -0.794 0.000 0.815 230 A HN 0.414 nan 8.150 nan 0.000 0.443 231 C N -0.896 118.210 119.300 -0.324 0.000 2.436 231 C HA 0.019 4.472 4.460 -0.012 0.000 0.277 231 C C 3.318 178.124 174.990 -0.307 0.000 1.241 231 C CA 0.849 59.702 59.018 -0.276 0.000 1.721 231 C CB -1.389 26.199 27.740 -0.253 0.000 2.043 231 C HN 0.706 nan 8.230 nan 0.000 0.472 232 A N 0.702 123.285 122.820 -0.394 0.000 1.908 232 A HA -0.033 4.280 4.320 -0.012 0.000 0.218 232 A C 2.376 179.826 177.584 -0.224 0.000 1.181 232 A CA 2.396 54.213 52.037 -0.367 0.000 0.627 232 A CB -1.022 17.620 19.000 -0.596 0.000 0.818 232 A HN 0.618 nan 8.150 nan 0.000 0.445 233 A N -0.731 121.995 122.820 -0.157 0.000 1.908 233 A HA -0.017 4.296 4.320 -0.012 0.000 0.218 233 A C 2.259 179.801 177.584 -0.070 0.000 1.181 233 A CA 1.877 53.871 52.037 -0.072 0.000 0.627 233 A CB -0.944 18.126 19.000 0.115 0.000 0.818 233 A HN 0.409 nan 8.150 nan 0.000 0.445 234 V N -0.497 119.364 119.914 -0.090 0.000 2.307 234 V HA -0.220 3.893 4.120 -0.012 0.000 0.245 234 V C 2.584 178.664 176.094 -0.022 0.000 1.045 234 V CA 1.933 64.211 62.300 -0.038 0.000 1.024 234 V CB -0.723 31.067 31.823 -0.056 0.000 0.651 234 V HN 0.370 nan 8.190 nan 0.000 0.449 235 V N 0.373 120.190 119.914 -0.160 0.000 2.332 235 V HA -0.293 3.820 4.120 -0.012 0.000 0.248 235 V C 2.710 178.717 176.094 -0.146 0.000 1.055 235 V CA 2.106 64.226 62.300 -0.299 0.000 1.038 235 V CB -1.138 30.271 31.823 -0.690 0.000 0.651 235 V HN 0.573 nan 8.190 nan 0.000 0.450 236 A N 0.568 123.328 122.820 -0.100 0.000 1.933 236 A HA -0.210 4.103 4.320 -0.012 0.000 0.218 236 A C 2.477 180.176 177.584 0.193 0.000 1.175 236 A CA 2.319 54.359 52.037 0.006 0.000 0.628 236 A CB -0.662 18.356 19.000 0.031 0.000 0.814 236 A HN 0.664 nan 8.150 nan 0.000 0.444 237 S N 0.221 116.076 115.700 0.258 0.000 2.387 237 S HA -0.075 4.388 4.470 -0.012 0.000 0.226 237 S C 1.795 176.489 174.600 0.156 0.000 1.026 237 S CA 1.327 59.740 58.200 0.356 0.000 0.972 237 S CB -0.672 62.733 63.200 0.342 0.000 0.814 237 S HN 0.505 nan 8.310 nan 0.000 0.477 238 I N 1.742 122.398 120.570 0.143 0.000 2.226 238 I HA -0.132 4.031 4.170 -0.012 0.000 0.245 238 I C 2.282 178.437 176.117 0.063 0.000 1.100 238 I CA 1.068 62.453 61.300 0.141 0.000 1.374 238 I CB -0.498 37.683 38.000 0.301 0.000 1.057 238 I HN 0.214 nan 8.210 nan 0.000 0.413 239 L N 0.485 121.692 121.223 -0.026 0.000 2.131 239 L HA -0.196 4.137 4.340 -0.012 0.000 0.210 239 L C 1.882 178.538 176.870 -0.356 0.000 1.092 239 L CA 1.213 55.822 54.840 -0.384 0.000 0.759 239 L CB -0.572 40.894 42.059 -0.988 0.000 0.903 239 L HN 0.365 nan 8.230 nan 0.000 0.435 240 N N -0.249 118.362 118.700 -0.148 0.000 2.398 240 N HA 0.013 4.746 4.740 -0.012 0.000 0.188 240 N C 1.355 176.855 175.510 -0.017 0.000 1.122 240 N CA 0.966 54.008 53.050 -0.013 0.000 0.866 240 N CB 0.875 39.307 38.487 -0.091 0.000 0.970 240 N HN 0.430 nan 8.380 nan 0.000 0.462 241 G N 1.281 110.077 108.800 -0.007 0.000 2.157 241 G HA2 -0.318 3.635 3.960 -0.012 0.000 0.248 241 G HA3 -0.318 3.635 3.960 -0.012 0.000 0.248 241 G C 1.124 176.018 174.900 -0.009 0.000 0.979 241 G CA 0.651 45.750 45.100 -0.001 0.000 0.650 241 G HN 0.284 nan 8.290 nan 0.000 0.529 242 K N -0.701 119.689 120.400 -0.017 0.000 2.155 242 K HA 0.388 4.701 4.320 -0.012 0.000 0.203 242 K C 1.428 178.056 176.600 0.046 0.000 1.052 242 K CA 1.069 57.358 56.287 0.004 0.000 0.948 242 K CB 0.053 32.559 32.500 0.009 0.000 0.728 242 K HN 0.575 nan 8.250 nan 0.000 0.448 243 M N -0.674 118.962 119.600 0.060 0.000 2.691 243 M HA 0.275 4.748 4.480 -0.012 0.000 0.293 243 M C -0.946 175.381 176.300 0.046 0.000 1.259 243 M CA -0.751 54.586 55.300 0.062 0.000 0.827 243 M CB 2.636 35.289 32.600 0.089 0.000 1.753 243 M HN -0.170 nan 8.290 nan 0.000 0.465 244 E N 0.627 120.847 120.200 0.034 0.000 2.227 244 E HA 0.461 4.804 4.350 -0.012 0.000 0.268 244 E C -1.092 175.511 176.600 0.005 0.000 0.990 244 E CA -0.848 55.556 56.400 0.007 0.000 0.856 244 E CB 2.127 31.824 29.700 -0.005 0.000 1.159 244 E HN 0.315 nan 8.360 nan 0.000 0.401 245 R N -0.358 120.109 120.500 -0.055 0.000 2.582 245 R HA 0.241 4.574 4.340 -0.012 0.000 0.271 245 R C 0.701 176.954 176.300 -0.079 0.000 1.078 245 R CA 1.255 57.285 56.100 -0.116 0.000 1.127 245 R CB 0.355 30.490 30.300 -0.275 0.000 1.038 245 R HN 0.731 nan 8.270 nan 0.000 0.500 246 G N 2.130 110.892 108.800 -0.063 0.000 2.187 246 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.261 246 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.261 246 G C -0.436 174.455 174.900 -0.017 0.000 1.000 246 G CA 0.530 45.605 45.100 -0.041 0.000 0.718 246 G HN 0.424 nan 8.290 nan 0.000 0.519 247 K N 0.231 120.631 120.400 0.000 0.000 2.270 247 K HA 0.372 4.685 4.320 -0.012 0.000 0.255 247 K C -0.113 176.493 176.600 0.010 0.000 0.936 247 K CA -0.816 55.473 56.287 0.003 0.000 0.809 247 K CB 1.947 34.449 32.500 0.005 0.000 1.131 247 K HN 0.366 nan 8.250 nan 0.000 0.427 248 E N 3.090 123.289 120.200 -0.001 0.000 2.220 248 E HA 0.110 4.453 4.350 -0.012 0.000 0.272 248 E C -0.702 175.892 176.600 -0.011 0.000 1.099 248 E CA -0.138 56.257 56.400 -0.009 0.000 0.907 248 E CB 0.274 29.962 29.700 -0.019 0.000 1.022 248 E HN 0.342 nan 8.360 nan 0.000 0.428 249 I N 3.776 124.338 120.570 -0.014 0.000 2.359 249 I HA 0.117 4.280 4.170 -0.012 0.000 0.294 249 I C 0.365 176.447 176.117 -0.060 0.000 0.987 249 I CA -0.347 60.943 61.300 -0.018 0.000 1.225 249 I CB 1.868 39.870 38.000 0.004 0.000 1.366 249 I HN 0.426 nan 8.210 nan 0.000 0.466 250 T N 5.766 120.273 114.554 -0.079 0.000 2.749 250 T HA 0.544 4.887 4.350 -0.012 0.000 0.287 250 T C -0.570 173.988 174.700 -0.238 0.000 0.970 250 T CA -0.586 61.414 62.100 -0.167 0.000 0.980 250 T CB 0.713 69.471 68.868 -0.183 0.000 0.924 250 T HN 0.222 nan 8.240 nan 0.000 0.456 251 V N 6.035 125.794 119.914 -0.258 0.000 2.370 251 V HA 0.312 4.425 4.120 -0.012 0.000 0.279 251 V C -0.095 175.839 176.094 -0.267 0.000 1.029 251 V CA -0.887 61.282 62.300 -0.218 0.000 0.870 251 V CB 0.418 32.089 31.823 -0.254 0.000 0.984 251 V HN 0.974 nan 8.190 nan 0.000 0.451 252 H N 4.899 123.992 119.070 0.038 0.000 2.911 252 H HA 0.452 5.001 4.556 -0.013 0.000 0.273 252 H C -0.114 175.287 175.328 0.121 0.000 1.157 252 H CA -0.290 55.795 56.048 0.061 0.000 1.402 252 H CB 0.395 30.197 29.762 0.066 0.000 1.463 252 H HN 0.464 nan 8.280 nan 0.000 0.475 253 L N 1.029 122.358 121.223 0.177 0.000 2.567 253 L HA 0.306 4.639 4.340 -0.012 0.000 0.238 253 L C 1.735 178.718 176.870 0.188 0.000 1.168 253 L CA 0.032 55.012 54.840 0.233 0.000 0.817 253 L CB 0.417 42.561 42.059 0.141 0.000 1.409 253 L HN 0.628 nan 8.230 nan 0.000 0.502 254 A N -0.060 122.864 122.820 0.173 0.000 1.929 254 A HA 0.031 4.344 4.320 -0.012 0.000 0.216 254 A C 2.018 179.661 177.584 0.099 0.000 1.176 254 A CA 1.448 53.554 52.037 0.117 0.000 0.628 254 A CB -1.373 17.685 19.000 0.097 0.000 0.816 254 A HN 0.859 nan 8.150 nan 0.000 0.444 255 G N -0.979 107.884 108.800 0.105 0.000 2.575 255 G HA2 0.286 4.239 3.960 -0.012 0.000 0.215 255 G HA3 0.286 4.239 3.960 -0.012 0.000 0.215 255 G C 0.912 175.866 174.900 0.090 0.000 1.262 255 G CA 1.548 46.708 45.100 0.099 0.000 0.807 255 G HN 1.162 nan 8.290 nan 0.000 0.567 256 G N -1.214 107.634 108.800 0.080 0.000 2.795 256 G HA2 0.429 4.382 3.960 -0.012 0.000 0.127 256 G HA3 0.429 4.382 3.960 -0.012 0.000 0.127 256 G C -1.975 172.951 174.900 0.044 0.000 1.203 256 G CA -0.100 45.045 45.100 0.075 0.000 1.145 256 G HN 0.168 nan 8.290 nan 0.000 0.580 257 D N 0.725 121.125 120.400 0.001 0.000 2.256 257 D HA 0.682 5.315 4.640 -0.012 0.000 0.246 257 D C -0.391 175.848 176.300 -0.101 0.000 1.042 257 D CA -0.061 53.889 54.000 -0.084 0.000 0.841 257 D CB 2.092 42.830 40.800 -0.103 0.000 1.223 257 D HN 0.258 nan 8.370 nan 0.000 0.470 258 L N 1.551 122.682 121.223 -0.153 0.000 2.346 258 L HA 0.548 4.881 4.340 -0.012 0.000 0.274 258 L C -0.590 176.184 176.870 -0.158 0.000 1.007 258 L CA -0.964 53.784 54.840 -0.152 0.000 0.818 258 L CB 1.455 43.401 42.059 -0.188 0.000 1.284 258 L HN 0.118 nan 8.230 nan 0.000 0.424 259 M N 4.068 123.594 119.600 -0.123 0.000 2.125 259 M HA 0.529 5.002 4.480 -0.012 0.000 0.321 259 M C -0.895 175.351 176.300 -0.090 0.000 0.983 259 M CA 0.128 55.366 55.300 -0.103 0.000 0.934 259 M CB 1.329 33.881 32.600 -0.080 0.000 1.542 259 M HN 0.285 nan 8.290 nan 0.000 0.424 260 I N 2.199 122.719 120.570 -0.084 0.000 2.545 260 I HA 0.867 5.030 4.170 -0.012 0.000 0.292 260 I C -0.629 175.473 176.117 -0.024 0.000 1.040 260 I CA -0.711 60.547 61.300 -0.069 0.000 1.068 260 I CB 2.201 40.137 38.000 -0.107 0.000 1.251 260 I HN 0.712 nan 8.210 nan 0.000 0.424 261 A N 4.875 127.697 122.820 0.005 0.000 2.359 261 A HA 0.450 4.763 4.320 -0.012 0.000 0.303 261 A C -1.707 175.959 177.584 0.136 0.000 1.066 261 A CA -0.384 51.686 52.037 0.055 0.000 0.730 261 A CB 0.873 19.890 19.000 0.029 0.000 1.211 261 A HN 0.707 nan 8.150 nan 0.000 0.439 262 W N 4.980 126.251 121.300 -0.049 0.000 2.507 262 W HA 0.412 5.066 4.660 -0.010 0.000 0.334 262 W C 0.618 177.115 176.519 -0.036 0.000 1.165 262 W CA -0.339 56.979 57.345 -0.044 0.000 1.460 262 W CB 0.202 29.635 29.460 -0.045 0.000 1.404 262 W HN 0.788 nan 8.180 nan 0.000 0.435 263 T N 1.503 116.164 114.554 0.179 0.000 2.926 263 T HA 0.048 4.391 4.350 -0.012 0.000 0.307 263 T C 1.020 175.637 174.700 -0.139 0.000 1.059 263 T CA -0.089 62.016 62.100 0.009 0.000 1.122 263 T CB 1.302 70.189 68.868 0.031 0.000 0.972 263 T HN 0.582 nan 8.240 nan 0.000 0.545 264 E N 1.067 121.173 120.200 -0.157 0.000 2.204 264 E HA -0.158 4.185 4.350 -0.012 0.000 0.195 264 E C 2.021 178.540 176.600 -0.135 0.000 0.990 264 E CA 1.243 57.521 56.400 -0.203 0.000 0.821 264 E CB -0.021 29.590 29.700 -0.148 0.000 0.750 264 E HN 0.818 nan 8.360 nan 0.000 0.477 265 E N -0.888 119.271 120.200 -0.068 0.000 2.209 265 E HA -0.159 4.184 4.350 -0.012 0.000 0.196 265 E C 1.479 178.082 176.600 0.004 0.000 0.993 265 E CA 0.785 57.169 56.400 -0.027 0.000 0.819 265 E CB 0.065 29.761 29.700 -0.006 0.000 0.745 265 E HN 0.417 nan 8.360 nan 0.000 0.477 266 G N 0.245 109.066 108.800 0.035 0.000 3.033 266 G HA2 -0.172 3.781 3.960 -0.012 0.000 0.196 266 G HA3 -0.172 3.781 3.960 -0.012 0.000 0.196 266 G C 0.041 175.118 174.900 0.294 0.000 1.078 266 G CA -0.388 44.805 45.100 0.156 0.000 0.805 266 G HN 0.098 nan 8.290 nan 0.000 0.472 267 N N 0.807 119.612 118.700 0.176 0.000 2.453 267 N HA 0.355 5.088 4.740 -0.012 0.000 0.253 267 N C -0.281 175.348 175.510 0.198 0.000 1.252 267 N CA 0.416 53.550 53.050 0.140 0.000 0.917 267 N CB 2.123 40.649 38.487 0.065 0.000 1.117 267 N HN 0.131 nan 8.380 nan 0.000 0.442 268 V N 3.122 123.085 119.914 0.082 0.000 2.364 268 V HA 0.264 4.377 4.120 -0.012 0.000 0.272 268 V C 0.368 176.460 176.094 -0.004 0.000 1.036 268 V CA -0.520 61.799 62.300 0.031 0.000 0.880 268 V CB 0.682 32.433 31.823 -0.120 0.000 0.991 268 V HN 0.382 nan 8.190 nan 0.000 0.460 269 L N 5.954 127.181 121.223 0.007 0.000 2.289 269 L HA 0.633 4.966 4.340 -0.012 0.000 0.285 269 L C -0.160 176.682 176.870 -0.046 0.000 1.049 269 L CA -0.118 54.709 54.840 -0.023 0.000 0.804 269 L CB 1.433 43.483 42.059 -0.016 0.000 1.195 269 L HN 0.590 nan 8.230 nan 0.000 0.428 270 M N 4.297 123.858 119.600 -0.065 0.000 2.253 270 M HA 0.388 4.861 4.480 -0.012 0.000 0.314 270 M C -1.160 175.092 176.300 -0.080 0.000 1.019 270 M CA -0.585 54.666 55.300 -0.082 0.000 0.932 270 M CB 1.742 34.283 32.600 -0.098 0.000 1.606 270 M HN 0.457 nan 8.290 nan 0.000 0.430 271 K N 3.279 123.631 120.400 -0.081 0.000 2.307 271 K HA 0.767 5.080 4.320 -0.012 0.000 0.263 271 K C -0.882 175.672 176.600 -0.077 0.000 0.973 271 K CA -0.409 55.833 56.287 -0.076 0.000 0.846 271 K CB 1.725 34.183 32.500 -0.069 0.000 1.100 271 K HN 0.889 nan 8.250 nan 0.000 0.438 272 G N 3.593 112.351 108.800 -0.070 0.000 2.690 272 G HA2 0.493 4.446 3.960 -0.012 0.000 0.291 272 G HA3 0.493 4.446 3.960 -0.012 0.000 0.291 272 G C -3.046 171.826 174.900 -0.047 0.000 1.403 272 G CA -1.263 43.799 45.100 -0.064 0.000 0.864 272 G HN 0.391 nan 8.290 nan 0.000 0.480 273 P HA 0.546 nan 4.420 nan 0.000 0.276 273 P C -0.723 176.567 177.300 -0.016 0.000 1.244 273 P CA -0.236 62.855 63.100 -0.015 0.000 0.801 273 P CB 1.966 33.670 31.700 0.008 0.000 1.006 274 A N 1.503 124.324 122.820 0.001 0.000 2.455 274 A HA 0.652 4.965 4.320 -0.012 0.000 0.300 274 A C -1.040 176.565 177.584 0.035 0.000 1.040 274 A CA -0.481 51.559 52.037 0.005 0.000 0.697 274 A CB 1.319 20.313 19.000 -0.010 0.000 1.265 274 A HN 0.511 nan 8.150 nan 0.000 0.407 275 E N 0.505 120.745 120.200 0.068 0.000 2.340 275 E HA 0.518 4.861 4.350 -0.012 0.000 0.273 275 E C -1.150 175.506 176.600 0.093 0.000 0.891 275 E CA -0.836 55.615 56.400 0.085 0.000 0.757 275 E CB 2.490 32.260 29.700 0.117 0.000 1.231 275 E HN 0.400 nan 8.360 nan 0.000 0.439 276 V N 3.808 123.769 119.914 0.078 0.000 2.530 276 V HA 0.124 4.237 4.120 -0.012 0.000 0.282 276 V C 0.794 176.944 176.094 0.093 0.000 1.048 276 V CA 0.353 62.706 62.300 0.089 0.000 0.997 276 V CB 0.757 32.625 31.823 0.075 0.000 0.987 276 V HN 0.722 nan 8.190 nan 0.000 0.477 277 I N 3.312 123.951 120.570 0.116 0.000 2.685 277 I HA 0.112 4.275 4.170 -0.012 0.000 0.251 277 I C 0.833 177.005 176.117 0.092 0.000 1.102 277 I CA 0.947 62.308 61.300 0.102 0.000 1.442 277 I CB 0.574 38.647 38.000 0.122 0.000 1.194 277 I HN 0.819 nan 8.210 nan 0.000 0.448 278 C N 0.215 119.583 119.300 0.112 0.000 3.311 278 C HA 0.717 5.170 4.460 -0.012 0.000 0.325 278 C C -0.900 174.086 174.990 -0.007 0.000 1.352 278 C CA -1.012 58.049 59.018 0.072 0.000 1.308 278 C CB 1.781 29.591 27.740 0.117 0.000 1.619 278 C HN 0.459 nan 8.230 nan 0.000 0.469 279 R N 1.946 122.370 120.500 -0.128 0.000 2.795 279 R HA 0.938 5.271 4.340 -0.012 0.000 0.275 279 R C -0.211 175.809 176.300 -0.467 0.000 0.981 279 R CA 0.077 55.968 56.100 -0.348 0.000 0.917 279 R CB 1.809 32.030 30.300 -0.131 0.000 1.202 279 R HN 2.113 nan 8.270 nan 0.000 0.469 280 G N 0.365 108.679 108.800 -0.811 0.000 2.348 280 G HA2 0.347 4.300 3.960 -0.012 0.000 0.296 280 G HA3 0.347 4.300 3.960 -0.012 0.000 0.296 280 G C -1.868 172.936 174.900 -0.161 0.000 1.258 280 G CA -0.482 44.390 45.100 -0.380 0.000 0.868 280 G HN 0.394 nan 8.290 nan 0.000 0.488 281 V N 0.862 120.878 119.914 0.170 0.000 2.409 281 V HA 0.511 4.624 4.120 -0.012 0.000 0.291 281 V C -1.094 175.205 176.094 0.341 0.000 1.020 281 V CA -0.642 61.811 62.300 0.256 0.000 0.848 281 V CB 1.214 33.107 31.823 0.117 0.000 0.990 281 V HN 0.731 nan 8.190 nan 0.000 0.430 282 Y N 4.375 124.736 120.300 0.100 0.000 2.326 282 Y HA 0.551 5.094 4.550 -0.010 0.000 0.337 282 Y C 0.225 175.987 175.900 -0.231 0.000 1.023 282 Y CA -0.526 57.455 58.100 -0.200 0.000 1.143 282 Y CB 1.107 39.205 38.460 -0.602 0.000 1.183 282 Y HN 0.698 nan 8.280 nan 0.000 0.485 283 E N 6.489 126.290 120.200 -0.665 0.000 2.179 283 E HA 0.371 4.714 4.350 -0.012 0.000 0.275 283 E C -1.671 174.503 176.600 -0.711 0.000 0.945 283 E CA -0.851 55.217 56.400 -0.554 0.000 0.792 283 E CB 1.958 31.474 29.700 -0.306 0.000 1.125 283 E HN 0.657 nan 8.360 nan 0.000 0.397 284 Y N -0.476 119.474 120.300 -0.583 0.000 2.638 284 Y HA 0.604 5.148 4.550 -0.010 0.000 0.335 284 Y C -1.402 174.364 175.900 -0.223 0.000 1.155 284 Y CA -1.347 56.500 58.100 -0.421 0.000 1.046 284 Y CB 1.583 39.822 38.460 -0.369 0.000 1.303 284 Y HN 0.298 nan 8.280 nan 0.000 0.460 285 K N 2.584 122.951 120.400 -0.055 0.000 2.443 285 K HA 0.657 4.970 4.320 -0.012 0.000 0.252 285 K C -2.085 174.478 176.600 -0.061 0.000 0.933 285 K CA -0.637 55.568 56.287 -0.137 0.000 0.792 285 K CB 1.661 34.089 32.500 -0.120 0.000 1.185 285 K HN 0.868 nan 8.250 nan 0.000 0.425 286 I N 4.010 124.444 120.570 -0.227 0.000 2.362 286 I HA 0.254 4.417 4.170 -0.012 0.000 0.289 286 I C -0.011 175.967 176.117 -0.231 0.000 0.994 286 I CA -0.561 60.602 61.300 -0.228 0.000 1.158 286 I CB 1.734 39.553 38.000 -0.303 0.000 1.315 286 I HN 0.615 nan 8.210 nan 0.000 0.451 287 E N 0.000 120.141 120.200 -0.098 0.000 2.725 287 E HA 0.000 4.343 4.350 -0.012 0.000 0.291 287 E CA 0.000 56.370 56.400 -0.050 0.000 0.976 287 E CB 0.000 29.679 29.700 -0.034 0.000 0.812 287 E HN 0.000 nan 8.360 nan 0.000 0.440