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 2h12_1_D DATA FIRST_RESID 11 DATA SEQUENCE STATISVDGK SAEMPVLSGT LGPDVIDIRK LPAQLGVFTF DPGYGETAAC DATA SEQUENCE NSKITFIDGD KGVLLHRGYP IAQLAENASY EEVIYLLLNG ELPNKAQYDT DATA SEQUENCE FTNTLTNHTL LHEQIRNFFN GFRRDAHPMA ILCGTVGALS AFYPXXXXXX DATA SEQUENCE XXXNRDLAAM RLIAKIPTIA AWAYKYTQGE AFIYPRNDLN YAENFLSMMF DATA SEQUENCE ARMSEPYKVN PVLARAMNRI LILHADHEQN ASTSTVRLAG STGANPFACI DATA SEQUENCE AAGIAALWGP AHGGANEAVL KMLARIGKKE NIPAFIAQVK DKNSGVKLMG DATA SEQUENCE FGHRVYKNFD PRAKIMQQTC HEVLTELGIK DDPLLDLAVE LEKIALSDDY DATA SEQUENCE FVQRKLYPNV DFYSGIILKA MGIPTSMFTV LFAVARTTGW VSQWKEMIEE DATA SEQUENCE PGQRISRPRQ LYIGAPQRDY VPLAKR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 S HA 0.000 nan 4.470 nan 0.000 0.327 11 S C 0.000 174.602 174.600 0.003 0.000 1.055 11 S CA 0.000 58.201 58.200 0.001 0.000 1.107 11 S CB 0.000 63.200 63.200 0.001 0.000 0.593 12 T N -0.435 114.121 114.554 0.004 0.000 2.864 12 T HA 0.940 5.289 4.350 -0.000 0.000 0.289 12 T C -0.106 174.598 174.700 0.008 0.000 1.082 12 T CA -0.510 61.594 62.100 0.006 0.000 1.009 12 T CB 1.250 70.121 68.868 0.006 0.000 1.234 12 T HN 1.930 nan 8.240 nan 0.000 0.526 13 A N 0.530 123.357 122.820 0.010 0.000 2.356 13 A HA 0.777 5.097 4.320 -0.000 0.000 0.323 13 A C -0.089 177.502 177.584 0.012 0.000 1.119 13 A CA -0.827 51.216 52.037 0.012 0.000 0.790 13 A CB 1.273 20.282 19.000 0.015 0.000 1.273 13 A HN 0.867 nan 8.150 nan 0.000 0.452 14 T N 1.980 116.540 114.554 0.011 0.000 2.794 14 T HA 0.589 4.939 4.350 -0.000 0.000 0.280 14 T C -0.417 174.290 174.700 0.012 0.000 0.987 14 T CA 0.061 62.167 62.100 0.010 0.000 0.993 14 T CB 0.465 69.338 68.868 0.008 0.000 0.939 14 T HN 0.422 nan 8.240 nan 0.000 0.449 15 I N 2.528 123.105 120.570 0.013 0.000 2.436 15 I HA 0.390 4.560 4.170 -0.000 0.000 0.289 15 I C -0.192 175.930 176.117 0.009 0.000 1.010 15 I CA -0.660 60.649 61.300 0.014 0.000 1.098 15 I CB 1.902 39.914 38.000 0.019 0.000 1.266 15 I HN 0.533 nan 8.210 nan 0.000 0.434 16 S N 5.449 121.154 115.700 0.007 0.000 2.502 16 S HA 0.731 5.201 4.470 -0.000 0.000 0.304 16 S C -0.778 173.822 174.600 0.000 0.000 1.097 16 S CA -0.695 57.506 58.200 0.003 0.000 1.045 16 S CB 2.425 65.626 63.200 0.002 0.000 1.019 16 S HN 0.437 nan 8.310 nan 0.000 0.481 17 V N 2.392 122.304 119.914 -0.004 0.000 3.000 17 V HA 0.460 4.579 4.120 -0.000 0.000 0.300 17 V C -1.280 174.805 176.094 -0.015 0.000 1.251 17 V CA -0.620 61.675 62.300 -0.009 0.000 0.972 17 V CB 1.911 33.728 31.823 -0.010 0.000 1.065 17 V HN 1.008 nan 8.190 nan 0.000 0.431 18 D N 4.431 124.820 120.400 -0.018 0.000 2.686 18 D HA -0.073 4.567 4.640 -0.000 0.000 0.235 18 D C 1.062 177.352 176.300 -0.017 0.000 1.160 18 D CA 2.213 56.201 54.000 -0.020 0.000 0.645 18 D CB -1.069 39.714 40.800 -0.028 0.000 1.039 18 D HN 2.288 nan 8.370 nan 0.000 0.423 19 G N -0.244 108.548 108.800 -0.013 0.000 2.155 19 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.257 19 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.257 19 G C 0.374 175.269 174.900 -0.009 0.000 0.983 19 G CA 0.830 45.924 45.100 -0.010 0.000 0.676 19 G HN 0.653 nan 8.290 nan 0.000 0.528 20 K N -0.624 119.770 120.400 -0.009 0.000 2.443 20 K HA 0.731 5.050 4.320 -0.000 0.000 0.251 20 K C -0.844 175.753 176.600 -0.004 0.000 0.972 20 K CA -0.585 55.698 56.287 -0.007 0.000 0.833 20 K CB 2.210 34.704 32.500 -0.010 0.000 1.317 20 K HN 0.081 nan 8.250 nan 0.000 0.441 21 S N -0.095 115.604 115.700 -0.002 0.000 2.548 21 S HA 0.852 5.322 4.470 -0.000 0.000 0.286 21 S C -1.868 172.733 174.600 0.002 0.000 1.098 21 S CA -0.518 57.682 58.200 0.001 0.000 0.930 21 S CB 1.667 64.868 63.200 0.001 0.000 1.070 21 S HN 0.667 nan 8.310 nan 0.000 0.480 22 A N 2.666 125.489 122.820 0.005 0.000 2.574 22 A HA 0.731 5.051 4.320 -0.000 0.000 0.297 22 A C -1.585 176.005 177.584 0.009 0.000 1.062 22 A CA -0.727 51.314 52.037 0.007 0.000 0.686 22 A CB 1.225 20.230 19.000 0.008 0.000 1.285 22 A HN 0.597 nan 8.150 nan 0.000 0.403 23 E N 1.726 121.931 120.200 0.009 0.000 2.216 23 E HA 0.540 4.889 4.350 -0.000 0.000 0.279 23 E C -0.692 175.915 176.600 0.012 0.000 0.997 23 E CA -0.357 56.049 56.400 0.010 0.000 0.817 23 E CB 1.339 31.043 29.700 0.007 0.000 1.096 23 E HN 0.562 nan 8.360 nan 0.000 0.393 24 M N 2.719 122.327 119.600 0.014 0.000 2.383 24 M HA 0.413 4.892 4.480 -0.000 0.000 0.325 24 M C -2.445 173.863 176.300 0.013 0.000 1.092 24 M CA -2.833 52.477 55.300 0.016 0.000 0.961 24 M CB 1.295 33.907 32.600 0.021 0.000 1.672 24 M HN -0.081 nan 8.290 nan 0.000 0.438 25 P HA 0.182 nan 4.420 nan 0.000 0.268 25 P C -0.654 176.651 177.300 0.010 0.000 1.205 25 P CA -0.261 62.845 63.100 0.009 0.000 0.771 25 P CB 0.563 32.268 31.700 0.008 0.000 0.858 26 V N 4.775 124.693 119.914 0.007 0.000 2.398 26 V HA 0.334 4.453 4.120 -0.000 0.000 0.286 26 V C 0.230 176.327 176.094 0.005 0.000 1.026 26 V CA -0.426 61.879 62.300 0.008 0.000 0.868 26 V CB 0.974 32.801 31.823 0.007 0.000 0.982 26 V HN 0.338 nan 8.190 nan 0.000 0.443 27 L N 4.417 125.643 121.223 0.005 0.000 2.334 27 L HA 0.789 5.129 4.340 -0.000 0.000 0.273 27 L C 0.156 177.026 176.870 0.001 0.000 1.013 27 L CA -0.323 54.517 54.840 0.002 0.000 0.816 27 L CB 2.179 44.239 42.059 0.002 0.000 1.278 27 L HN 0.756 nan 8.230 nan 0.000 0.431 28 S N 0.116 115.813 115.700 -0.005 0.000 2.568 28 S HA 0.893 5.363 4.470 -0.000 0.000 0.293 28 S C -0.312 174.278 174.600 -0.017 0.000 1.089 28 S CA -0.495 57.699 58.200 -0.009 0.000 0.945 28 S CB 2.205 65.397 63.200 -0.014 0.000 1.077 28 S HN 0.771 nan 8.310 nan 0.000 0.485 29 G N 0.221 109.007 108.800 -0.024 0.000 3.107 29 G HA2 0.504 4.464 3.960 -0.000 0.000 0.232 29 G HA3 0.504 4.464 3.960 -0.000 0.000 0.232 29 G C 0.445 175.299 174.900 -0.077 0.000 1.339 29 G CA -0.294 44.782 45.100 -0.040 0.000 1.033 29 G HN 0.648 nan 8.290 nan 0.000 0.567 30 T N -0.392 114.094 114.554 -0.113 0.000 2.777 30 T HA 0.149 4.498 4.350 -0.000 0.000 0.266 30 T C 0.670 175.217 174.700 -0.254 0.000 1.040 30 T CA 1.017 63.016 62.100 -0.168 0.000 1.141 30 T CB -0.313 68.443 68.868 -0.187 0.000 0.868 30 T HN 0.154 nan 8.240 nan 0.000 0.444 31 L N -1.804 119.206 121.223 -0.355 0.000 2.600 31 L HA 0.625 4.965 4.340 -0.000 0.000 0.257 31 L C 0.120 176.867 176.870 -0.204 0.000 1.048 31 L CA -0.752 53.789 54.840 -0.498 0.000 0.869 31 L CB 1.997 43.288 42.059 -1.281 0.000 1.482 31 L HN 0.373 nan 8.230 nan 0.000 0.408 32 G N 0.737 109.570 108.800 0.056 0.000 2.756 32 G HA2 -0.061 3.898 3.960 -0.000 0.000 0.678 32 G HA3 -0.061 3.898 3.960 -0.000 0.000 0.678 32 G C -2.960 172.011 174.900 0.118 0.000 1.349 32 G CA -1.112 44.160 45.100 0.286 0.000 0.847 32 G HN 0.443 nan 8.290 nan 0.000 0.548 33 P HA 0.343 nan 4.420 nan 0.000 0.270 33 P C -0.124 177.201 177.300 0.040 0.000 1.223 33 P CA -0.258 62.875 63.100 0.055 0.000 0.785 33 P CB 0.398 32.126 31.700 0.046 0.000 0.923 34 D N -0.582 119.834 120.400 0.026 0.000 2.377 34 D HA 0.338 4.978 4.640 -0.000 0.000 0.245 34 D C -0.357 175.955 176.300 0.021 0.000 1.196 34 D CA -0.027 53.983 54.000 0.018 0.000 0.962 34 D CB 0.571 41.378 40.800 0.012 0.000 1.127 34 D HN 0.148 nan 8.370 nan 0.000 0.471 35 V N -2.060 117.864 119.914 0.018 0.000 3.007 35 V HA 0.579 4.699 4.120 -0.000 0.000 0.311 35 V C -0.384 175.721 176.094 0.018 0.000 1.120 35 V CA -0.998 61.314 62.300 0.019 0.000 0.980 35 V CB 1.721 33.555 31.823 0.019 0.000 1.033 35 V HN 0.371 nan 8.190 nan 0.000 0.429 36 I N 2.703 123.286 120.570 0.021 0.000 2.304 36 I HA 0.323 4.492 4.170 -0.000 0.000 0.291 36 I C -0.221 175.910 176.117 0.024 0.000 1.018 36 I CA -0.104 61.209 61.300 0.022 0.000 1.260 36 I CB 1.150 39.165 38.000 0.025 0.000 1.390 36 I HN 0.727 nan 8.210 nan 0.000 0.475 37 D N 7.797 128.209 120.400 0.021 0.000 2.342 37 D HA 0.075 4.715 4.640 -0.000 0.000 0.260 37 D C 0.737 177.054 176.300 0.028 0.000 1.278 37 D CA 0.012 54.025 54.000 0.022 0.000 0.910 37 D CB 0.712 41.521 40.800 0.016 0.000 1.079 37 D HN 0.535 nan 8.370 nan 0.000 0.496 38 I N 0.745 121.337 120.570 0.036 0.000 3.891 38 I HA 0.249 4.419 4.170 -0.000 0.000 0.331 38 I C 1.447 177.597 176.117 0.054 0.000 1.406 38 I CA -0.627 60.702 61.300 0.049 0.000 1.139 38 I CB 0.204 38.242 38.000 0.063 0.000 1.056 38 I HN 0.048 nan 8.210 nan 0.000 0.399 39 R N 1.872 122.396 120.500 0.040 0.000 2.200 39 R HA -0.029 4.311 4.340 -0.000 0.000 0.234 39 R C 1.247 177.575 176.300 0.048 0.000 1.127 39 R CA 1.147 57.270 56.100 0.040 0.000 0.989 39 R CB -0.087 30.228 30.300 0.025 0.000 0.869 39 R HN 0.478 nan 8.270 nan 0.000 0.459 40 K N -0.009 120.419 120.400 0.045 0.000 2.373 40 K HA 0.057 4.377 4.320 -0.000 0.000 0.202 40 K C 1.137 177.769 176.600 0.053 0.000 1.025 40 K CA -0.235 56.079 56.287 0.045 0.000 1.115 40 K CB 0.399 32.917 32.500 0.031 0.000 0.858 40 K HN -0.029 nan 8.250 nan 0.000 0.525 41 L N 2.556 123.819 121.223 0.067 0.000 1.990 41 L HA -0.153 4.187 4.340 -0.000 0.000 0.213 41 L C -1.163 175.745 176.870 0.062 0.000 1.072 41 L CA 2.149 57.030 54.840 0.069 0.000 0.755 41 L CB -0.811 41.304 42.059 0.094 0.000 0.889 41 L HN 0.032 nan 8.230 nan 0.000 0.432 42 P HA -0.136 nan 4.420 nan 0.000 0.215 42 P C 1.547 178.863 177.300 0.025 0.000 1.153 42 P CA 2.042 65.177 63.100 0.060 0.000 0.853 42 P CB -0.199 31.607 31.700 0.176 0.000 0.788 43 A N -0.555 122.290 122.820 0.041 0.000 1.933 43 A HA -0.246 4.073 4.320 -0.000 0.000 0.218 43 A C 2.213 179.804 177.584 0.013 0.000 1.175 43 A CA 1.622 53.674 52.037 0.025 0.000 0.628 43 A CB -1.216 17.801 19.000 0.029 0.000 0.814 43 A HN 0.199 nan 8.150 nan 0.000 0.444 44 Q N -0.970 118.840 119.800 0.015 0.000 2.062 44 Q HA 0.129 4.469 4.340 -0.000 0.000 0.196 44 Q C 1.316 177.316 176.000 -0.001 0.000 0.967 44 Q CA 1.266 57.075 55.803 0.009 0.000 0.832 44 Q CB -0.049 28.698 28.738 0.015 0.000 0.899 44 Q HN 0.621 nan 8.270 nan 0.000 0.442 45 L N -1.755 119.465 121.223 -0.005 0.000 2.966 45 L HA 0.360 4.700 4.340 -0.000 0.000 0.262 45 L C 0.724 177.566 176.870 -0.046 0.000 1.165 45 L CA 0.117 54.945 54.840 -0.019 0.000 0.978 45 L CB 0.933 42.985 42.059 -0.011 0.000 1.337 45 L HN 0.377 nan 8.230 nan 0.000 0.563 46 G N 1.600 110.363 108.800 -0.061 0.000 2.160 46 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.251 46 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.251 46 G C 0.120 174.892 174.900 -0.214 0.000 1.008 46 G CA 0.487 45.519 45.100 -0.115 0.000 0.724 46 G HN 0.334 nan 8.290 nan 0.000 0.514 47 V N -3.894 115.897 119.914 -0.204 0.000 3.160 47 V HA 0.950 5.070 4.120 -0.000 0.000 0.310 47 V C -0.016 175.959 176.094 -0.199 0.000 1.181 47 V CA -2.088 60.042 62.300 -0.283 0.000 1.047 47 V CB 1.865 33.621 31.823 -0.112 0.000 1.068 47 V HN 0.305 nan 8.190 nan 0.000 0.441 48 F N -0.124 119.856 119.950 0.049 0.000 2.613 48 F HA 0.777 5.304 4.527 -0.000 0.000 0.342 48 F C 0.923 176.770 175.800 0.079 0.000 1.066 48 F CA -0.596 57.442 58.000 0.063 0.000 1.002 48 F CB 2.338 41.384 39.000 0.077 0.000 1.319 48 F HN 0.818 nan 8.300 nan 0.000 0.495 49 T N -1.637 113.097 114.554 0.300 0.000 2.862 49 T HA 0.488 4.838 4.350 -0.000 0.000 0.276 49 T C -1.209 173.656 174.700 0.275 0.000 0.974 49 T CA -0.501 61.728 62.100 0.214 0.000 0.966 49 T CB 1.736 70.687 68.868 0.138 0.000 1.072 49 T HN 0.409 nan 8.240 nan 0.000 0.538 50 F N 1.112 121.098 119.950 0.061 0.000 2.539 50 F HA 0.545 5.072 4.527 -0.000 0.000 0.328 50 F C -1.106 174.690 175.800 -0.007 0.000 1.148 50 F CA -1.082 56.936 58.000 0.030 0.000 0.940 50 F CB 1.658 40.676 39.000 0.029 0.000 1.194 50 F HN 0.672 nan 8.300 nan 0.000 0.438 51 D N 7.870 127.967 120.400 -0.505 0.000 2.968 51 D HA 0.264 4.904 4.640 -0.000 0.000 0.301 51 D C -2.762 173.180 176.300 -0.597 0.000 1.226 51 D CA -1.499 52.240 54.000 -0.435 0.000 0.746 51 D CB 0.832 41.529 40.800 -0.172 0.000 1.278 51 D HN 0.159 nan 8.370 nan 0.000 0.544 52 P HA 0.239 nan 4.420 nan 0.000 0.265 52 P C 1.058 178.100 177.300 -0.431 0.000 1.193 52 P CA 0.774 63.494 63.100 -0.632 0.000 0.765 52 P CB 1.197 32.572 31.700 -0.543 0.000 0.823 53 G N 2.705 111.241 108.800 -0.440 0.000 2.234 53 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.235 53 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.235 53 G C 0.481 175.352 174.900 -0.047 0.000 0.997 53 G CA 0.191 45.174 45.100 -0.195 0.000 0.623 53 G HN 0.453 nan 8.290 nan 0.000 0.514 54 Y N -1.404 118.832 120.300 -0.107 0.000 4.819 54 Y HA -0.315 4.235 4.550 -0.000 0.000 0.230 54 Y C 2.352 178.212 175.900 -0.065 0.000 1.009 54 Y CA 1.241 59.291 58.100 -0.084 0.000 1.971 54 Y CB -1.692 36.727 38.460 -0.069 0.000 1.587 54 Y HN 0.931 nan 8.280 nan 0.000 0.587 55 G N -0.008 108.823 108.800 0.052 0.000 2.501 55 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.220 55 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.220 55 G C 1.081 175.992 174.900 0.019 0.000 1.114 55 G CA 1.490 46.605 45.100 0.024 0.000 0.757 55 G HN 0.485 nan 8.290 nan 0.000 0.559 56 E N -0.505 119.707 120.200 0.021 0.000 2.583 56 E HA 0.198 4.548 4.350 -0.000 0.000 0.213 56 E C -0.018 176.602 176.600 0.033 0.000 0.989 56 E CA -0.005 56.407 56.400 0.020 0.000 0.991 56 E CB 0.978 30.686 29.700 0.012 0.000 1.040 56 E HN 0.101 nan 8.360 nan 0.000 0.481 57 T N 1.003 115.590 114.554 0.054 0.000 2.770 57 T HA 0.630 4.980 4.350 -0.000 0.000 0.283 57 T C -0.250 174.472 174.700 0.038 0.000 0.988 57 T CA -0.733 61.404 62.100 0.062 0.000 0.957 57 T CB 1.459 70.397 68.868 0.118 0.000 0.930 57 T HN 0.098 nan 8.240 nan 0.000 0.443 58 A N 2.351 125.185 122.820 0.023 0.000 2.350 58 A HA 0.638 4.957 4.320 -0.000 0.000 0.293 58 A C 1.430 179.009 177.584 -0.007 0.000 1.231 58 A CA -0.475 51.566 52.037 0.006 0.000 0.883 58 A CB -0.025 18.982 19.000 0.011 0.000 1.133 58 A HN 1.013 nan 8.150 nan 0.000 0.533 59 A N 2.054 124.855 122.820 -0.033 0.000 2.067 59 A HA 0.302 4.622 4.320 -0.000 0.000 0.217 59 A C 1.120 178.677 177.584 -0.046 0.000 1.156 59 A CA 1.386 53.387 52.037 -0.061 0.000 0.683 59 A CB -0.896 18.034 19.000 -0.116 0.000 0.808 59 A HN 1.908 nan 8.150 nan 0.000 0.455 60 C N -3.534 115.748 119.300 -0.030 0.000 3.259 60 C HA 0.601 5.061 4.460 -0.000 0.000 0.344 60 C C -1.224 173.758 174.990 -0.012 0.000 1.401 60 C CA -1.566 57.438 59.018 -0.024 0.000 1.219 60 C CB 0.651 28.373 27.740 -0.029 0.000 1.521 60 C HN 0.237 nan 8.230 nan 0.000 0.455 61 N N 1.014 119.706 118.700 -0.013 0.000 2.443 61 N HA 0.750 5.490 4.740 -0.000 0.000 0.295 61 N C -0.828 174.679 175.510 -0.005 0.000 1.076 61 N CA 0.196 53.242 53.050 -0.006 0.000 0.919 61 N CB 1.931 40.410 38.487 -0.012 0.000 1.176 61 N HN 0.913 nan 8.380 nan 0.000 0.487 62 S N 0.325 116.029 115.700 0.007 0.000 2.556 62 S HA 0.417 4.887 4.470 -0.000 0.000 0.271 62 S C -0.253 174.359 174.600 0.020 0.000 1.135 62 S CA -0.619 57.588 58.200 0.011 0.000 0.858 62 S CB 1.077 64.290 63.200 0.023 0.000 1.114 62 S HN 0.511 nan 8.310 nan 0.000 0.468 63 K N 2.525 122.934 120.400 0.015 0.000 2.438 63 K HA 0.367 4.687 4.320 -0.000 0.000 0.206 63 K C 1.105 177.727 176.600 0.037 0.000 1.081 63 K CA 0.051 56.347 56.287 0.016 0.000 1.053 63 K CB 0.264 32.762 32.500 -0.003 0.000 0.908 63 K HN 0.524 nan 8.250 nan 0.000 0.556 64 I N 0.679 121.278 120.570 0.048 0.000 2.141 64 I HA -0.110 4.060 4.170 -0.000 0.000 0.236 64 I C 0.646 176.843 176.117 0.133 0.000 1.071 64 I CA 1.125 62.469 61.300 0.072 0.000 1.345 64 I CB 0.135 38.171 38.000 0.061 0.000 1.066 64 I HN -0.066 nan 8.210 nan 0.000 0.406 65 T N 0.464 115.101 114.554 0.138 0.000 2.900 65 T HA 0.441 4.791 4.350 -0.000 0.000 0.295 65 T C -1.305 173.467 174.700 0.120 0.000 1.044 65 T CA -0.286 61.917 62.100 0.171 0.000 0.995 65 T CB 2.381 71.376 68.868 0.212 0.000 1.072 65 T HN -0.028 nan 8.240 nan 0.000 0.473 66 F N 3.180 123.098 119.950 -0.053 0.000 2.520 66 F HA 0.791 5.317 4.527 -0.000 0.000 0.322 66 F C -1.536 174.198 175.800 -0.111 0.000 1.103 66 F CA -1.344 56.610 58.000 -0.077 0.000 0.926 66 F CB 0.830 39.793 39.000 -0.062 0.000 1.154 66 F HN 0.431 nan 8.300 nan 0.000 0.453 67 I N 5.225 125.050 120.570 -1.242 0.000 2.498 67 I HA 0.262 4.432 4.170 -0.000 0.000 0.290 67 I C -1.362 174.009 176.117 -1.244 0.000 1.032 67 I CA -0.747 59.971 61.300 -0.970 0.000 1.073 67 I CB 1.947 39.518 38.000 -0.715 0.000 1.251 67 I HN 0.461 nan 8.210 nan 0.000 0.426 68 D N 4.905 124.896 120.400 -0.682 0.000 2.460 68 D HA 0.247 4.887 4.640 -0.000 0.000 0.232 68 D C 0.968 177.201 176.300 -0.111 0.000 1.079 68 D CA -0.300 53.522 54.000 -0.297 0.000 0.864 68 D CB 2.003 42.845 40.800 0.070 0.000 1.048 68 D HN 0.751 nan 8.370 nan 0.000 0.523 69 G N 3.281 111.996 108.800 -0.142 0.000 2.422 69 G HA2 -0.243 3.716 3.960 -0.000 0.000 0.218 69 G HA3 -0.243 3.716 3.960 -0.000 0.000 0.218 69 G C 1.088 176.028 174.900 0.067 0.000 1.146 69 G CA 0.413 45.490 45.100 -0.038 0.000 0.769 69 G HN 0.446 nan 8.290 nan 0.000 0.547 70 D N 0.463 120.880 120.400 0.028 0.000 2.183 70 D HA 0.003 4.643 4.640 -0.000 0.000 0.203 70 D C 2.324 178.635 176.300 0.018 0.000 0.969 70 D CA 0.785 54.801 54.000 0.026 0.000 0.842 70 D CB -0.022 40.795 40.800 0.028 0.000 0.957 70 D HN 0.316 nan 8.370 nan 0.000 0.484 71 K N -0.452 119.970 120.400 0.036 0.000 2.379 71 K HA 0.197 4.517 4.320 -0.000 0.000 0.194 71 K C 0.889 177.502 176.600 0.020 0.000 1.031 71 K CA 0.451 56.757 56.287 0.032 0.000 1.037 71 K CB 0.802 33.336 32.500 0.056 0.000 0.824 71 K HN 0.071 nan 8.250 nan 0.000 0.516 72 G N 1.918 110.750 108.800 0.053 0.000 2.256 72 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.272 72 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.272 72 G C -0.251 174.662 174.900 0.021 0.000 1.076 72 G CA -0.129 44.973 45.100 0.003 0.000 0.882 72 G HN 0.105 nan 8.290 nan 0.000 0.497 73 V N 0.479 120.452 119.914 0.098 0.000 2.483 73 V HA 0.785 4.904 4.120 -0.000 0.000 0.295 73 V C 0.101 176.232 176.094 0.062 0.000 1.035 73 V CA -0.825 61.520 62.300 0.074 0.000 0.896 73 V CB 1.804 33.697 31.823 0.117 0.000 0.986 73 V HN 0.606 nan 8.190 nan 0.000 0.447 74 L N 6.827 128.072 121.223 0.038 0.000 2.406 74 L HA 0.695 5.035 4.340 -0.000 0.000 0.272 74 L C -1.187 175.623 176.870 -0.099 0.000 0.980 74 L CA 0.089 54.909 54.840 -0.033 0.000 0.831 74 L CB 1.437 43.515 42.059 0.032 0.000 1.253 74 L HN 0.539 nan 8.230 nan 0.000 0.406 75 L N 4.506 125.668 121.223 -0.101 0.000 2.370 75 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 75 L C -0.995 175.794 176.870 -0.136 0.000 1.002 75 L CA -0.903 53.897 54.840 -0.066 0.000 0.818 75 L CB 2.028 44.141 42.059 0.089 0.000 1.325 75 L HN 0.517 nan 8.230 nan 0.000 0.418 76 H N 4.250 123.395 119.070 0.124 0.000 2.708 76 H HA 0.373 4.928 4.556 -0.000 0.000 0.320 76 H C -0.247 175.164 175.328 0.139 0.000 0.991 76 H CA -0.626 55.490 56.048 0.112 0.000 1.243 76 H CB 1.601 31.422 29.762 0.098 0.000 1.446 76 H HN 0.464 nan 8.280 nan 0.000 0.502 77 R N 1.970 122.588 120.500 0.196 0.000 3.627 77 R HA -0.218 4.121 4.340 -0.000 0.000 0.281 77 R C 1.106 177.371 176.300 -0.058 0.000 1.140 77 R CA 0.931 57.094 56.100 0.104 0.000 0.761 77 R CB -2.254 28.154 30.300 0.180 0.000 1.181 77 R HN 1.168 nan 8.270 nan 0.000 0.472 78 G N -1.903 106.853 108.800 -0.073 0.000 2.258 78 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.233 78 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.233 78 G C -0.095 174.649 174.900 -0.261 0.000 1.006 78 G CA 0.267 45.230 45.100 -0.227 0.000 0.620 78 G HN 0.318 nan 8.290 nan 0.000 0.511 79 Y N 2.024 122.344 120.300 0.033 0.000 2.336 79 Y HA 0.506 5.056 4.550 -0.000 0.000 0.335 79 Y C -1.867 174.040 175.900 0.010 0.000 1.046 79 Y CA -2.291 55.823 58.100 0.024 0.000 1.198 79 Y CB 0.848 39.328 38.460 0.034 0.000 1.182 79 Y HN -0.015 nan 8.280 nan 0.000 0.502 80 P HA -0.051 nan 4.420 nan 0.000 0.266 80 P C 0.830 178.165 177.300 0.058 0.000 1.195 80 P CA 0.050 63.188 63.100 0.063 0.000 0.768 80 P CB 0.772 32.502 31.700 0.050 0.000 0.838 81 I N 4.280 124.852 120.570 0.002 0.000 2.264 81 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 81 I C 1.880 178.018 176.117 0.035 0.000 1.111 81 I CA 1.820 63.134 61.300 0.024 0.000 1.382 81 I CB -0.883 37.110 38.000 -0.011 0.000 1.060 81 I HN 0.391 nan 8.210 nan 0.000 0.418 82 A N -0.478 122.351 122.820 0.014 0.000 1.933 82 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 82 A C 2.240 179.833 177.584 0.015 0.000 1.175 82 A CA 1.822 53.863 52.037 0.006 0.000 0.628 82 A CB -0.667 18.328 19.000 -0.009 0.000 0.814 82 A HN 0.635 nan 8.150 nan 0.000 0.444 83 Q N -0.491 119.325 119.800 0.027 0.000 2.079 83 Q HA -0.071 4.268 4.340 -0.000 0.000 0.200 83 Q C 2.124 178.130 176.000 0.011 0.000 0.974 83 Q CA 1.353 57.171 55.803 0.024 0.000 0.840 83 Q CB -0.302 28.467 28.738 0.051 0.000 0.898 83 Q HN 0.680 nan 8.270 nan 0.000 0.430 84 L N 0.101 121.341 121.223 0.028 0.000 2.027 84 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 84 L C 2.549 179.430 176.870 0.018 0.000 1.074 84 L CA 1.006 55.852 54.840 0.010 0.000 0.745 84 L CB -0.655 41.440 42.059 0.060 0.000 0.898 84 L HN 0.201 nan 8.230 nan 0.000 0.433 85 A N -0.202 122.640 122.820 0.038 0.000 1.972 85 A HA -0.250 4.070 4.320 -0.000 0.000 0.219 85 A C 2.179 179.778 177.584 0.026 0.000 1.169 85 A CA 1.980 54.042 52.037 0.041 0.000 0.635 85 A CB -0.406 18.616 19.000 0.037 0.000 0.810 85 A HN 0.403 nan 8.150 nan 0.000 0.446 86 E N 0.421 120.628 120.200 0.012 0.000 2.076 86 E HA -0.081 4.268 4.350 -0.000 0.000 0.190 86 E C 1.599 178.197 176.600 -0.003 0.000 0.979 86 E CA 1.683 58.084 56.400 0.003 0.000 0.807 86 E CB -0.122 29.576 29.700 -0.003 0.000 0.761 86 E HN 0.636 nan 8.360 nan 0.000 0.454 87 N N -0.393 118.299 118.700 -0.014 0.000 2.407 87 N HA 0.179 4.919 4.740 -0.000 0.000 0.182 87 N C -0.091 175.391 175.510 -0.046 0.000 1.079 87 N CA 0.616 53.647 53.050 -0.032 0.000 0.882 87 N CB 0.382 38.841 38.487 -0.048 0.000 1.106 87 N HN 0.113 nan 8.380 nan 0.000 0.461 88 A N 1.372 124.164 122.820 -0.046 0.000 2.286 88 A HA 0.500 4.819 4.320 -0.000 0.000 0.286 88 A C 0.596 178.178 177.584 -0.002 0.000 1.097 88 A CA -0.376 51.625 52.037 -0.059 0.000 0.821 88 A CB 0.442 19.389 19.000 -0.088 0.000 1.076 88 A HN 0.218 nan 8.150 nan 0.000 0.490 89 S N 0.180 115.885 115.700 0.007 0.000 2.632 89 S HA 0.290 4.760 4.470 -0.000 0.000 0.271 89 S C 0.660 175.340 174.600 0.133 0.000 1.260 89 S CA -0.154 58.108 58.200 0.104 0.000 1.010 89 S CB 0.360 63.648 63.200 0.147 0.000 0.965 89 S HN 0.719 nan 8.310 nan 0.000 0.534 90 Y N 1.729 122.074 120.300 0.074 0.000 2.207 90 Y HA -0.133 4.417 4.550 -0.000 0.000 0.287 90 Y C 2.101 178.001 175.900 0.000 0.000 1.156 90 Y CA 2.267 60.385 58.100 0.030 0.000 1.182 90 Y CB -0.417 38.071 38.460 0.046 0.000 0.979 90 Y HN 0.853 nan 8.280 nan 0.000 0.521 91 E N 0.066 120.378 120.200 0.187 0.000 2.153 91 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 91 E C 2.015 178.703 176.600 0.146 0.000 0.988 91 E CA 1.608 58.118 56.400 0.183 0.000 0.811 91 E CB -0.145 29.704 29.700 0.249 0.000 0.746 91 E HN 0.594 nan 8.360 nan 0.000 0.466 92 E N -0.095 120.210 120.200 0.174 0.000 2.072 92 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 92 E C 2.008 178.546 176.600 -0.103 0.000 0.985 92 E CA 1.063 57.485 56.400 0.036 0.000 0.801 92 E CB 0.101 29.758 29.700 -0.072 0.000 0.750 92 E HN 0.088 nan 8.360 nan 0.000 0.452 93 V N 1.364 121.171 119.914 -0.178 0.000 2.515 93 V HA -0.225 3.895 4.120 -0.000 0.000 0.250 93 V C 2.146 178.050 176.094 -0.316 0.000 1.058 93 V CA 1.266 63.409 62.300 -0.262 0.000 1.064 93 V CB -0.337 31.275 31.823 -0.351 0.000 0.675 93 V HN 0.272 nan 8.190 nan 0.000 0.461 94 I N -0.955 119.400 120.570 -0.357 0.000 2.179 94 I HA -0.279 3.891 4.170 -0.000 0.000 0.242 94 I C 2.444 178.450 176.117 -0.185 0.000 1.088 94 I CA 2.060 63.214 61.300 -0.244 0.000 1.357 94 I CB -0.483 37.474 38.000 -0.072 0.000 1.051 94 I HN 0.336 nan 8.210 nan 0.000 0.409 95 Y N 1.493 121.473 120.300 -0.533 0.000 2.165 95 Y HA -0.296 4.254 4.550 -0.000 0.000 0.286 95 Y C 2.363 178.050 175.900 -0.355 0.000 1.155 95 Y CA 1.652 59.278 58.100 -0.791 0.000 1.164 95 Y CB -0.309 37.505 38.460 -1.077 0.000 0.978 95 Y HN 0.066 nan 8.280 nan 0.000 0.513 96 L N 0.045 121.255 121.223 -0.022 0.000 1.989 96 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 96 L C 2.181 179.018 176.870 -0.055 0.000 1.071 96 L CA 1.928 56.775 54.840 0.011 0.000 0.749 96 L CB -0.919 41.139 42.059 -0.002 0.000 0.890 96 L HN 0.337 nan 8.230 nan 0.000 0.431 97 L N -1.392 119.765 121.223 -0.110 0.000 2.046 97 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 97 L C 2.444 179.259 176.870 -0.092 0.000 1.077 97 L CA 1.019 55.798 54.840 -0.102 0.000 0.747 97 L CB -0.593 41.367 42.059 -0.165 0.000 0.896 97 L HN 0.359 nan 8.230 nan 0.000 0.432 98 L N -0.323 120.820 121.223 -0.134 0.000 2.072 98 L HA -0.099 4.240 4.340 -0.000 0.000 0.205 98 L C 1.997 178.762 176.870 -0.176 0.000 1.079 98 L CA 1.790 56.556 54.840 -0.122 0.000 0.752 98 L CB -0.447 41.555 42.059 -0.095 0.000 0.906 98 L HN 0.266 nan 8.230 nan 0.000 0.436 99 N N -1.206 117.310 118.700 -0.307 0.000 2.368 99 N HA 0.190 4.930 4.740 -0.000 0.000 0.178 99 N C 1.354 176.780 175.510 -0.140 0.000 1.076 99 N CA 0.949 53.815 53.050 -0.307 0.000 0.889 99 N CB 0.970 39.046 38.487 -0.685 0.000 1.040 99 N HN 0.437 nan 8.380 nan 0.000 0.463 100 G N 0.219 108.975 108.800 -0.073 0.000 2.238 100 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 100 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 100 G C -0.118 174.833 174.900 0.084 0.000 0.996 100 G CA -0.176 44.930 45.100 0.009 0.000 0.632 100 G HN 0.254 nan 8.290 nan 0.000 0.503 101 E N -0.527 119.752 120.200 0.132 0.000 2.429 101 E HA 0.604 4.954 4.350 -0.000 0.000 0.276 101 E C -0.261 176.465 176.600 0.209 0.000 0.953 101 E CA -0.854 55.662 56.400 0.194 0.000 0.787 101 E CB 1.477 31.273 29.700 0.160 0.000 1.307 101 E HN 0.220 nan 8.360 nan 0.000 0.458 102 L N 2.908 124.188 121.223 0.095 0.000 2.426 102 L HA 0.243 4.583 4.340 -0.000 0.000 0.271 102 L C -1.826 174.951 176.870 -0.156 0.000 1.169 102 L CA -1.358 53.437 54.840 -0.075 0.000 0.836 102 L CB 0.240 42.170 42.059 -0.215 0.000 1.112 102 L HN 0.155 nan 8.230 nan 0.000 0.465 103 P HA 0.156 nan 4.420 nan 0.000 0.282 103 P C -1.400 175.704 177.300 -0.328 0.000 1.249 103 P CA -0.677 62.013 63.100 -0.684 0.000 0.806 103 P CB 1.053 31.942 31.700 -1.351 0.000 0.984 104 N N 1.379 119.948 118.700 -0.218 0.000 2.379 104 N HA 0.083 4.823 4.740 -0.000 0.000 0.260 104 N C 1.130 176.583 175.510 -0.094 0.000 1.254 104 N CA -0.540 52.434 53.050 -0.126 0.000 0.958 104 N CB 0.416 38.863 38.487 -0.067 0.000 1.208 104 N HN 0.340 nan 8.380 nan 0.000 0.532 105 K N -0.593 119.771 120.400 -0.059 0.000 2.034 105 K HA -0.249 4.071 4.320 -0.000 0.000 0.214 105 K C 1.711 178.341 176.600 0.050 0.000 1.051 105 K CA 1.899 58.183 56.287 -0.006 0.000 0.931 105 K CB -0.669 31.824 32.500 -0.011 0.000 0.715 105 K HN 0.645 nan 8.250 nan 0.000 0.446 106 A N 0.926 123.762 122.820 0.027 0.000 1.902 106 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 106 A C 2.036 179.653 177.584 0.055 0.000 1.181 106 A CA 1.713 53.775 52.037 0.043 0.000 0.623 106 A CB -0.541 18.478 19.000 0.032 0.000 0.818 106 A HN 0.523 nan 8.150 nan 0.000 0.443 107 Q N -2.244 117.567 119.800 0.018 0.000 2.119 107 Q HA -0.173 4.167 4.340 -0.000 0.000 0.201 107 Q C 2.013 178.020 176.000 0.012 0.000 0.972 107 Q CA 1.685 57.494 55.803 0.010 0.000 0.847 107 Q CB -0.327 28.338 28.738 -0.121 0.000 0.903 107 Q HN 0.821 nan 8.270 nan 0.000 0.433 108 Y N 1.907 122.103 120.300 -0.172 0.000 2.145 108 Y HA -0.246 4.303 4.550 -0.000 0.000 0.286 108 Y C 1.637 177.583 175.900 0.077 0.000 1.145 108 Y CA 1.721 59.761 58.100 -0.101 0.000 1.148 108 Y CB -0.005 38.373 38.460 -0.137 0.000 0.981 108 Y HN 0.095 nan 8.280 nan 0.000 0.507 109 D N -1.008 119.477 120.400 0.141 0.000 2.117 109 D HA -0.152 4.488 4.640 -0.000 0.000 0.197 109 D C 2.146 178.472 176.300 0.044 0.000 0.987 109 D CA 1.953 55.997 54.000 0.075 0.000 0.829 109 D CB -0.561 40.299 40.800 0.100 0.000 0.961 109 D HN 0.338 nan 8.370 nan 0.000 0.460 110 T N 0.544 115.149 114.554 0.084 0.000 2.708 110 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 110 T C 1.719 176.489 174.700 0.115 0.000 1.037 110 T CA 0.750 62.908 62.100 0.096 0.000 1.146 110 T CB -0.464 68.479 68.868 0.126 0.000 0.865 110 T HN 0.118 nan 8.240 nan 0.000 0.435 111 F N 2.390 122.338 119.950 -0.004 0.000 2.075 111 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 111 F C 2.711 178.462 175.800 -0.082 0.000 1.113 111 F CA 1.905 59.908 58.000 0.005 0.000 1.218 111 F CB -0.784 38.272 39.000 0.093 0.000 0.984 111 F HN 0.227 nan 8.300 nan 0.000 0.472 112 T N -1.817 112.678 114.554 -0.098 0.000 2.915 112 T HA -0.141 4.209 4.350 -0.000 0.000 0.269 112 T C 1.783 176.409 174.700 -0.124 0.000 1.071 112 T CA 1.294 63.279 62.100 -0.192 0.000 1.132 112 T CB -0.613 68.107 68.868 -0.247 0.000 0.878 112 T HN 0.225 nan 8.240 nan 0.000 0.479 113 N N 1.328 119.985 118.700 -0.071 0.000 2.142 113 N HA -0.040 4.700 4.740 -0.000 0.000 0.186 113 N C 2.056 177.539 175.510 -0.046 0.000 1.023 113 N CA 1.685 54.713 53.050 -0.037 0.000 0.852 113 N CB -0.885 37.599 38.487 -0.005 0.000 0.998 113 N HN 0.471 nan 8.380 nan 0.000 0.424 114 T N 2.044 116.562 114.554 -0.060 0.000 2.746 114 T HA 0.009 4.359 4.350 -0.000 0.000 0.267 114 T C 2.127 176.827 174.700 -0.000 0.000 1.039 114 T CA 0.550 62.644 62.100 -0.009 0.000 1.142 114 T CB -0.195 68.648 68.868 -0.042 0.000 0.866 114 T HN 0.129 nan 8.240 nan 0.000 0.444 115 L N 1.190 122.309 121.223 -0.173 0.000 1.989 115 L HA -0.146 4.194 4.340 -0.000 0.000 0.211 115 L C 3.134 179.994 176.870 -0.017 0.000 1.071 115 L CA 1.881 56.646 54.840 -0.125 0.000 0.749 115 L CB -1.187 40.749 42.059 -0.205 0.000 0.890 115 L HN 0.457 nan 8.230 nan 0.000 0.431 116 T N -3.711 110.825 114.554 -0.030 0.000 2.929 116 T HA -0.188 4.162 4.350 -0.000 0.000 0.271 116 T C 1.428 176.097 174.700 -0.050 0.000 1.085 116 T CA 1.647 63.737 62.100 -0.017 0.000 1.125 116 T CB -0.484 68.378 68.868 -0.009 0.000 0.874 116 T HN 0.203 nan 8.240 nan 0.000 0.494 117 N N 0.461 119.105 118.700 -0.094 0.000 2.461 117 N HA 0.039 4.779 4.740 -0.000 0.000 0.188 117 N C 0.865 176.076 175.510 -0.499 0.000 1.134 117 N CA 0.352 53.251 53.050 -0.251 0.000 0.878 117 N CB 0.038 38.353 38.487 -0.287 0.000 0.972 117 N HN 0.562 nan 8.380 nan 0.000 0.456 118 H N -2.651 116.401 119.070 -0.031 0.000 3.052 118 H HA 0.141 4.697 4.556 -0.000 0.000 0.257 118 H C 1.187 176.493 175.328 -0.036 0.000 1.193 118 H CA 0.456 56.488 56.048 -0.026 0.000 1.072 118 H CB 0.384 30.118 29.762 -0.047 0.000 1.685 118 H HN 0.273 nan 8.280 nan 0.000 0.630 119 T N -1.043 113.521 114.554 0.017 0.000 2.951 119 T HA 0.036 4.385 4.350 -0.000 0.000 0.268 119 T C 1.108 175.767 174.700 -0.069 0.000 1.073 119 T CA 0.218 62.300 62.100 -0.030 0.000 1.134 119 T CB 0.008 68.855 68.868 -0.035 0.000 0.884 119 T HN 0.049 nan 8.240 nan 0.000 0.479 120 L N 1.722 122.929 121.223 -0.025 0.000 2.397 120 L HA 0.404 4.744 4.340 -0.000 0.000 0.271 120 L C 0.126 176.972 176.870 -0.041 0.000 1.148 120 L CA -0.637 54.198 54.840 -0.009 0.000 0.825 120 L CB 0.790 42.884 42.059 0.058 0.000 1.117 120 L HN 0.194 nan 8.230 nan 0.000 0.456 121 L N 2.400 123.553 121.223 -0.117 0.000 2.360 121 L HA 0.352 4.692 4.340 -0.000 0.000 0.271 121 L C 0.386 177.265 176.870 0.014 0.000 1.057 121 L CA -0.839 53.931 54.840 -0.116 0.000 0.803 121 L CB 0.974 42.844 42.059 -0.316 0.000 1.207 121 L HN 0.516 nan 8.230 nan 0.000 0.445 122 H N 2.827 121.811 119.070 -0.144 0.000 2.964 122 H HA -0.018 4.538 4.556 -0.000 0.000 0.328 122 H C 0.583 175.907 175.328 -0.007 0.000 1.030 122 H CA 0.265 56.239 56.048 -0.122 0.000 1.445 122 H CB 1.175 30.702 29.762 -0.392 0.000 1.449 122 H HN 0.607 nan 8.280 nan 0.000 0.581 123 E N 3.740 124.001 120.200 0.101 0.000 2.267 123 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 123 E C 1.720 178.535 176.600 0.358 0.000 0.998 123 E CA 0.791 57.352 56.400 0.269 0.000 0.830 123 E CB 0.092 29.896 29.700 0.174 0.000 0.751 123 E HN 0.714 nan 8.360 nan 0.000 0.491 124 Q N 0.342 120.454 119.800 0.519 0.000 2.291 124 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 124 Q C 1.900 178.107 176.000 0.345 0.000 0.976 124 Q CA 0.628 56.679 55.803 0.414 0.000 0.875 124 Q CB -0.002 29.009 28.738 0.455 0.000 0.927 124 Q HN 0.150 nan 8.270 nan 0.000 0.450 125 I N 0.564 121.307 120.570 0.288 0.000 2.567 125 I HA -0.235 3.935 4.170 -0.000 0.000 0.257 125 I C 1.861 178.308 176.117 0.550 0.000 1.184 125 I CA 1.284 62.758 61.300 0.289 0.000 1.451 125 I CB -0.604 37.462 38.000 0.109 0.000 1.089 125 I HN 0.337 nan 8.210 nan 0.000 0.441 126 R N 0.494 121.334 120.500 0.566 0.000 2.120 126 R HA -0.157 4.183 4.340 -0.000 0.000 0.234 126 R C 1.850 178.429 176.300 0.465 0.000 1.123 126 R CA 1.150 57.614 56.100 0.606 0.000 0.975 126 R CB -0.196 30.313 30.300 0.348 0.000 0.866 126 R HN 0.432 nan 8.270 nan 0.000 0.446 127 N N 0.323 119.225 118.700 0.336 0.000 2.223 127 N HA -0.169 4.571 4.740 -0.000 0.000 0.185 127 N C 1.436 177.056 175.510 0.184 0.000 1.016 127 N CA 1.021 54.204 53.050 0.221 0.000 0.863 127 N CB -0.293 38.300 38.487 0.178 0.000 0.983 127 N HN 0.129 nan 8.380 nan 0.000 0.429 128 F N 0.704 120.723 119.950 0.115 0.000 2.134 128 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 128 F C 1.780 177.558 175.800 -0.037 0.000 1.097 128 F CA 1.119 59.105 58.000 -0.023 0.000 1.264 128 F CB -0.329 38.613 39.000 -0.096 0.000 1.001 128 F HN -0.115 nan 8.300 nan 0.000 0.479 129 F N 0.467 120.557 119.950 0.234 0.000 2.216 129 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 129 F C 2.096 177.694 175.800 -0.336 0.000 1.085 129 F CA 1.224 59.223 58.000 -0.001 0.000 1.326 129 F CB -0.834 38.173 39.000 0.012 0.000 1.027 129 F HN -0.042 nan 8.300 nan 0.000 0.497 130 N N 0.142 118.876 118.700 0.057 0.000 2.573 130 N HA -0.062 4.678 4.740 -0.000 0.000 0.187 130 N C 2.031 177.532 175.510 -0.015 0.000 1.107 130 N CA 0.943 54.054 53.050 0.102 0.000 0.918 130 N CB -0.582 37.983 38.487 0.130 0.000 0.966 130 N HN 0.337 nan 8.380 nan 0.000 0.448 131 G N -1.027 107.621 108.800 -0.253 0.000 2.712 131 G HA2 0.012 3.972 3.960 -0.000 0.000 0.212 131 G HA3 0.012 3.972 3.960 -0.000 0.000 0.212 131 G C 0.216 174.850 174.900 -0.443 0.000 1.142 131 G CA -0.130 44.706 45.100 -0.441 0.000 0.789 131 G HN 0.104 nan 8.290 nan 0.000 0.535 132 F N 0.327 120.195 119.950 -0.137 0.000 2.377 132 F HA 0.539 5.066 4.527 -0.000 0.000 0.328 132 F C 1.069 176.999 175.800 0.217 0.000 1.094 132 F CA -1.010 56.998 58.000 0.013 0.000 1.093 132 F CB 1.223 40.224 39.000 0.002 0.000 1.214 132 F HN -0.236 nan 8.300 nan 0.000 0.518 133 R N 1.259 121.993 120.500 0.390 0.000 2.615 133 R HA 0.247 4.587 4.340 -0.000 0.000 0.270 133 R C 1.190 177.703 176.300 0.354 0.000 1.081 133 R CA -0.720 55.550 56.100 0.284 0.000 1.154 133 R CB 0.667 31.077 30.300 0.183 0.000 1.063 133 R HN 0.561 nan 8.270 nan 0.000 0.519 134 R N 1.354 121.959 120.500 0.175 0.000 2.189 134 R HA -0.109 4.230 4.340 -0.000 0.000 0.223 134 R C 0.719 177.061 176.300 0.070 0.000 1.092 134 R CA 1.215 57.333 56.100 0.030 0.000 0.989 134 R CB -0.270 29.948 30.300 -0.138 0.000 0.876 134 R HN 0.682 nan 8.270 nan 0.000 0.457 135 D N -0.208 120.251 120.400 0.099 0.000 2.319 135 D HA 0.063 4.703 4.640 -0.000 0.000 0.230 135 D C 0.164 176.545 176.300 0.134 0.000 1.094 135 D CA -0.173 53.880 54.000 0.089 0.000 0.856 135 D CB -0.139 40.706 40.800 0.075 0.000 0.915 135 D HN -0.015 nan 8.370 nan 0.000 0.517 136 A N 0.695 123.626 122.820 0.185 0.000 2.445 136 A HA 0.096 4.416 4.320 -0.000 0.000 0.242 136 A C 0.256 177.924 177.584 0.140 0.000 1.075 136 A CA -0.298 51.863 52.037 0.207 0.000 0.777 136 A CB -0.028 19.119 19.000 0.246 0.000 1.013 136 A HN 0.457 nan 8.150 nan 0.000 0.493 137 H N 3.062 122.197 119.070 0.109 0.000 2.803 137 H HA 0.130 4.686 4.556 -0.000 0.000 0.330 137 H C -1.809 173.463 175.328 -0.093 0.000 1.057 137 H CA -1.441 54.649 56.048 0.069 0.000 1.458 137 H CB 1.127 31.024 29.762 0.225 0.000 1.470 137 H HN 0.298 nan 8.280 nan 0.000 0.560 138 P HA -0.173 nan 4.420 nan 0.000 0.218 138 P C 1.740 178.945 177.300 -0.159 0.000 1.146 138 P CA 1.038 64.050 63.100 -0.147 0.000 0.813 138 P CB 0.248 31.875 31.700 -0.121 0.000 0.778 139 M N -1.370 118.160 119.600 -0.117 0.000 2.229 139 M HA -0.047 4.432 4.480 -0.000 0.000 0.264 139 M C 2.017 177.856 176.300 -0.768 0.000 1.063 139 M CA 1.521 56.461 55.300 -0.600 0.000 1.114 139 M CB -1.602 30.167 32.600 -1.386 0.000 1.387 139 M HN -0.086 nan 8.290 nan 0.000 0.420 140 A N 0.285 122.681 122.820 -0.707 0.000 1.898 140 A HA -0.095 4.225 4.320 -0.000 0.000 0.216 140 A C 2.188 179.672 177.584 -0.166 0.000 1.181 140 A CA 1.106 52.955 52.037 -0.313 0.000 0.620 140 A CB -0.703 18.354 19.000 0.095 0.000 0.819 140 A HN 0.443 nan 8.150 nan 0.000 0.442 141 I N -0.943 119.363 120.570 -0.441 0.000 2.226 141 I HA -0.231 3.938 4.170 -0.000 0.000 0.245 141 I C 2.436 178.401 176.117 -0.254 0.000 1.100 141 I CA 1.098 61.941 61.300 -0.762 0.000 1.374 141 I CB -0.298 37.248 38.000 -0.756 0.000 1.057 141 I HN 0.336 nan 8.210 nan 0.000 0.413 142 L N 0.470 121.583 121.223 -0.183 0.000 1.994 142 L HA -0.262 4.078 4.340 -0.000 0.000 0.208 142 L C 2.716 179.546 176.870 -0.066 0.000 1.071 142 L CA 1.797 56.579 54.840 -0.096 0.000 0.745 142 L CB -0.645 41.364 42.059 -0.082 0.000 0.892 142 L HN 0.430 nan 8.230 nan 0.000 0.431 143 C N -0.369 118.887 119.300 -0.073 0.000 2.413 143 C HA -0.133 4.327 4.460 -0.000 0.000 0.277 143 C C 2.859 177.871 174.990 0.037 0.000 1.228 143 C CA 1.124 60.133 59.018 -0.014 0.000 1.731 143 C CB -1.582 26.168 27.740 0.016 0.000 2.042 143 C HN 0.709 nan 8.230 nan 0.000 0.468 144 G N -0.729 108.161 108.800 0.151 0.000 2.402 144 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.216 144 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.216 144 G C 1.771 176.638 174.900 -0.055 0.000 1.162 144 G CA 1.575 46.828 45.100 0.255 0.000 0.777 144 G HN 0.568 nan 8.290 nan 0.000 0.539 145 T N 0.804 115.303 114.554 -0.091 0.000 2.821 145 T HA -0.070 4.279 4.350 -0.000 0.000 0.267 145 T C 2.526 177.021 174.700 -0.342 0.000 1.046 145 T CA 1.107 62.909 62.100 -0.497 0.000 1.139 145 T CB -0.162 68.480 68.868 -0.377 0.000 0.871 145 T HN 0.061 nan 8.240 nan 0.000 0.454 146 V N 1.475 121.297 119.914 -0.153 0.000 2.358 146 V HA -0.054 4.066 4.120 -0.000 0.000 0.246 146 V C 2.886 178.951 176.094 -0.047 0.000 1.047 146 V CA 1.879 64.145 62.300 -0.058 0.000 1.035 146 V CB -1.325 30.489 31.823 -0.014 0.000 0.658 146 V HN 0.581 nan 8.190 nan 0.000 0.452 147 G N -0.226 108.525 108.800 -0.082 0.000 2.440 147 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 147 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 147 G C 1.756 176.591 174.900 -0.108 0.000 1.154 147 G CA 1.062 46.125 45.100 -0.062 0.000 0.767 147 G HN 0.603 nan 8.290 nan 0.000 0.552 148 A N 0.328 122.988 122.820 -0.268 0.000 1.933 148 A HA 0.071 4.391 4.320 -0.000 0.000 0.218 148 A C 2.300 179.806 177.584 -0.130 0.000 1.175 148 A CA 1.488 53.329 52.037 -0.328 0.000 0.628 148 A CB -0.403 18.045 19.000 -0.919 0.000 0.814 148 A HN 0.382 nan 8.150 nan 0.000 0.444 149 L N 1.074 122.233 121.223 -0.107 0.000 2.261 149 L HA -0.161 4.179 4.340 -0.000 0.000 0.216 149 L C 2.706 179.523 176.870 -0.089 0.000 1.114 149 L CA 2.239 57.075 54.840 -0.007 0.000 0.777 149 L CB -0.568 41.500 42.059 0.015 0.000 0.910 149 L HN 0.561 nan 8.230 nan 0.000 0.440 150 S N -1.298 114.360 115.700 -0.071 0.000 2.440 150 S HA -0.165 4.305 4.470 -0.000 0.000 0.238 150 S C 2.103 176.613 174.600 -0.150 0.000 1.010 150 S CA 0.811 58.955 58.200 -0.092 0.000 0.972 150 S CB -0.761 62.454 63.200 0.024 0.000 0.774 150 S HN 0.459 nan 8.310 nan 0.000 0.501 151 A N 0.846 123.567 122.820 -0.165 0.000 1.969 151 A HA 0.199 4.519 4.320 -0.000 0.000 0.218 151 A C 1.709 178.994 177.584 -0.499 0.000 1.169 151 A CA 0.978 52.830 52.037 -0.308 0.000 0.635 151 A CB -0.886 17.888 19.000 -0.377 0.000 0.810 151 A HN 0.571 nan 8.150 nan 0.000 0.445 152 F N -2.268 117.384 119.950 -0.497 0.000 2.710 152 F HA 0.093 4.620 4.527 -0.000 0.000 0.298 152 F C 0.149 175.280 175.800 -1.114 0.000 1.137 152 F CA 0.602 58.130 58.000 -0.786 0.000 1.444 152 F CB -0.065 38.384 39.000 -0.918 0.000 1.111 152 F HN 0.232 nan 8.300 nan 0.000 0.580 153 Y N 0.752 120.905 120.300 -0.245 0.000 2.511 153 Y HA 0.299 4.849 4.550 -0.000 0.000 0.356 153 Y C -2.001 173.819 175.900 -0.134 0.000 1.002 153 Y CA -2.853 55.108 58.100 -0.231 0.000 1.127 153 Y CB -0.557 37.612 38.460 -0.484 0.000 1.137 153 Y HN -0.153 nan 8.280 nan 0.000 0.652 165 R N 0.963 121.536 120.500 0.122 0.000 2.090 165 R HA 0.056 4.396 4.340 -0.000 0.000 0.228 165 R C 0.839 177.243 176.300 0.173 0.000 1.110 165 R CA 1.761 57.993 56.100 0.220 0.000 0.973 165 R CB -0.084 30.267 30.300 0.085 0.000 0.869 165 R HN 0.090 nan 8.270 nan 0.000 0.440 166 D N 0.592 121.036 120.400 0.073 0.000 2.144 166 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 166 D C 1.694 177.988 176.300 -0.009 0.000 0.984 166 D CA 0.779 54.801 54.000 0.036 0.000 0.834 166 D CB -0.073 40.737 40.800 0.016 0.000 0.955 166 D HN 0.025 nan 8.370 nan 0.000 0.465 167 L N 0.553 121.764 121.223 -0.020 0.000 2.093 167 L HA 0.001 4.340 4.340 -0.000 0.000 0.208 167 L C 2.006 178.786 176.870 -0.149 0.000 1.085 167 L CA 1.539 56.316 54.840 -0.105 0.000 0.755 167 L CB -0.725 41.292 42.059 -0.069 0.000 0.904 167 L HN -0.029 nan 8.230 nan 0.000 0.435 168 A N -0.435 122.343 122.820 -0.070 0.000 1.898 168 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 168 A C 2.466 179.857 177.584 -0.323 0.000 1.181 168 A CA 1.719 53.652 52.037 -0.174 0.000 0.620 168 A CB -1.153 17.771 19.000 -0.127 0.000 0.819 168 A HN 0.554 nan 8.150 nan 0.000 0.442 169 A N -0.629 122.105 122.820 -0.143 0.000 1.883 169 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 169 A C 2.192 179.682 177.584 -0.157 0.000 1.186 169 A CA 2.125 54.093 52.037 -0.115 0.000 0.624 169 A CB -0.518 18.507 19.000 0.042 0.000 0.822 169 A HN 0.429 nan 8.150 nan 0.000 0.444 170 M N -0.769 118.735 119.600 -0.161 0.000 2.117 170 M HA -0.096 4.384 4.480 -0.000 0.000 0.262 170 M C 2.190 178.357 176.300 -0.222 0.000 1.065 170 M CA 1.443 56.621 55.300 -0.202 0.000 1.114 170 M CB -1.246 31.206 32.600 -0.246 0.000 1.361 170 M HN 0.411 nan 8.290 nan 0.000 0.408 171 R N 0.065 120.392 120.500 -0.289 0.000 2.081 171 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 171 R C 2.315 178.525 176.300 -0.150 0.000 1.131 171 R CA 1.171 57.134 56.100 -0.227 0.000 0.960 171 R CB -0.445 29.703 30.300 -0.254 0.000 0.856 171 R HN 0.306 nan 8.270 nan 0.000 0.436 172 L N 0.206 121.253 121.223 -0.292 0.000 2.056 172 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 172 L C 2.292 179.097 176.870 -0.108 0.000 1.078 172 L CA 1.244 55.924 54.840 -0.267 0.000 0.749 172 L CB -0.262 41.517 42.059 -0.465 0.000 0.901 172 L HN 0.184 nan 8.230 nan 0.000 0.433 173 I N -0.490 120.031 120.570 -0.082 0.000 2.315 173 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 173 I C 2.671 178.846 176.117 0.097 0.000 1.117 173 I CA 1.161 62.471 61.300 0.017 0.000 1.404 173 I CB -0.376 37.618 38.000 -0.010 0.000 1.071 173 I HN 0.199 nan 8.210 nan 0.000 0.419 174 A N 0.557 123.395 122.820 0.030 0.000 1.929 174 A HA -0.142 4.177 4.320 -0.000 0.000 0.216 174 A C 2.253 179.828 177.584 -0.016 0.000 1.176 174 A CA 1.342 53.410 52.037 0.053 0.000 0.628 174 A CB -0.235 18.792 19.000 0.044 0.000 0.816 174 A HN 0.321 nan 8.150 nan 0.000 0.444 175 K N -1.096 119.282 120.400 -0.036 0.000 2.284 175 K HA 0.153 4.473 4.320 -0.000 0.000 0.198 175 K C 1.652 178.177 176.600 -0.124 0.000 1.048 175 K CA 0.548 56.784 56.287 -0.084 0.000 0.987 175 K CB -0.137 32.347 32.500 -0.026 0.000 0.800 175 K HN 0.369 nan 8.250 nan 0.000 0.486 176 I N 2.505 123.021 120.570 -0.091 0.000 2.248 176 I HA -0.184 3.986 4.170 -0.000 0.000 0.248 176 I C -1.415 174.583 176.117 -0.198 0.000 1.107 176 I CA 1.366 62.603 61.300 -0.105 0.000 1.373 176 I CB -0.408 37.557 38.000 -0.058 0.000 1.055 176 I HN 0.028 nan 8.210 nan 0.000 0.418 177 P HA -0.066 nan 4.420 nan 0.000 0.217 177 P C 1.634 178.802 177.300 -0.219 0.000 1.151 177 P CA 1.620 64.449 63.100 -0.452 0.000 0.828 177 P CB -0.166 31.126 31.700 -0.680 0.000 0.788 178 T N -0.433 113.944 114.554 -0.295 0.000 2.777 178 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 178 T C 1.778 176.151 174.700 -0.544 0.000 1.040 178 T CA 0.993 62.803 62.100 -0.482 0.000 1.141 178 T CB -0.841 67.647 68.868 -0.633 0.000 0.868 178 T HN 0.065 nan 8.240 nan 0.000 0.444 179 I N 1.483 121.866 120.570 -0.311 0.000 2.226 179 I HA -0.166 4.004 4.170 -0.000 0.000 0.245 179 I C 2.970 179.114 176.117 0.045 0.000 1.100 179 I CA 1.117 62.374 61.300 -0.072 0.000 1.374 179 I CB -0.512 37.475 38.000 -0.021 0.000 1.057 179 I HN 0.196 nan 8.210 nan 0.000 0.413 180 A N 0.797 123.619 122.820 0.003 0.000 1.902 180 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 180 A C 2.541 180.206 177.584 0.135 0.000 1.181 180 A CA 1.887 53.976 52.037 0.088 0.000 0.623 180 A CB -0.806 18.248 19.000 0.089 0.000 0.818 180 A HN 0.432 nan 8.150 nan 0.000 0.443 181 A N -1.546 121.349 122.820 0.125 0.000 1.898 181 A HA -0.100 4.220 4.320 -0.000 0.000 0.216 181 A C 1.914 179.521 177.584 0.039 0.000 1.181 181 A CA 1.435 53.503 52.037 0.051 0.000 0.620 181 A CB -0.785 18.217 19.000 0.004 0.000 0.819 181 A HN 0.700 nan 8.150 nan 0.000 0.442 182 W N -0.135 120.881 121.300 -0.474 0.000 2.374 182 W HA 0.025 4.684 4.660 -0.000 0.000 0.288 182 W C 2.747 178.801 176.519 -0.775 0.000 1.218 182 W CA 0.585 57.264 57.345 -1.111 0.000 1.245 182 W CB -0.984 27.412 29.460 -1.774 0.000 1.126 182 W HN 0.420 nan 8.180 nan 0.000 0.545 183 A N -0.705 122.115 122.820 0.001 0.000 1.902 183 A HA -0.258 4.062 4.320 -0.000 0.000 0.217 183 A C 1.902 179.572 177.584 0.143 0.000 1.181 183 A CA 1.761 53.925 52.037 0.212 0.000 0.623 183 A CB -1.450 17.669 19.000 0.198 0.000 0.818 183 A HN 0.323 nan 8.150 nan 0.000 0.443 184 Y N 0.865 121.150 120.300 -0.025 0.000 2.114 184 Y HA -0.198 4.352 4.550 -0.000 0.000 0.284 184 Y C 2.178 178.060 175.900 -0.029 0.000 1.143 184 Y CA 2.200 60.264 58.100 -0.059 0.000 1.135 184 Y CB -0.219 38.149 38.460 -0.153 0.000 0.980 184 Y HN 0.129 nan 8.280 nan 0.000 0.499 185 K N -0.379 119.889 120.400 -0.221 0.000 2.063 185 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 185 K C 2.065 178.622 176.600 -0.072 0.000 1.048 185 K CA 1.864 58.017 56.287 -0.224 0.000 0.928 185 K CB -1.364 31.126 32.500 -0.016 0.000 0.713 185 K HN 0.522 nan 8.250 nan 0.000 0.442 186 Y N 2.298 122.613 120.300 0.024 0.000 2.128 186 Y HA -0.276 4.273 4.550 -0.000 0.000 0.284 186 Y C 2.477 178.363 175.900 -0.023 0.000 1.154 186 Y CA 2.589 60.755 58.100 0.111 0.000 1.149 186 Y CB -0.667 37.939 38.460 0.242 0.000 0.976 186 Y HN 0.290 nan 8.280 nan 0.000 0.505 187 T N -2.251 112.297 114.554 -0.010 0.000 2.929 187 T HA -0.161 4.189 4.350 -0.000 0.000 0.271 187 T C 1.459 176.025 174.700 -0.223 0.000 1.085 187 T CA 1.375 63.414 62.100 -0.101 0.000 1.125 187 T CB -0.192 68.652 68.868 -0.039 0.000 0.874 187 T HN 0.341 nan 8.240 nan 0.000 0.494 188 Q N 0.636 120.241 119.800 -0.326 0.000 2.408 188 Q HA 0.275 4.615 4.340 -0.000 0.000 0.205 188 Q C 1.803 177.653 176.000 -0.251 0.000 0.919 188 Q CA 0.747 56.362 55.803 -0.313 0.000 0.932 188 Q CB 0.156 28.616 28.738 -0.463 0.000 1.058 188 Q HN 0.793 nan 8.270 nan 0.000 0.517 189 G N 1.726 110.356 108.800 -0.284 0.000 2.160 189 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 189 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 189 G C -0.299 174.471 174.900 -0.217 0.000 1.022 189 G CA 0.298 45.238 45.100 -0.267 0.000 0.741 189 G HN 0.334 nan 8.290 nan 0.000 0.508 190 E N -0.137 119.939 120.200 -0.206 0.000 2.222 190 E HA 0.658 5.008 4.350 -0.000 0.000 0.272 190 E C 0.713 177.214 176.600 -0.164 0.000 0.982 190 E CA -0.339 55.964 56.400 -0.162 0.000 0.842 190 E CB 1.441 31.055 29.700 -0.144 0.000 1.144 190 E HN 0.633 nan 8.360 nan 0.000 0.397 191 A N 2.764 125.489 122.820 -0.160 0.000 2.498 191 A HA 0.123 4.443 4.320 -0.000 0.000 0.239 191 A C -0.291 177.219 177.584 -0.122 0.000 1.068 191 A CA 0.035 51.948 52.037 -0.206 0.000 0.766 191 A CB -0.160 18.754 19.000 -0.143 0.000 1.003 191 A HN 0.575 nan 8.150 nan 0.000 0.497 192 F N 1.839 121.497 119.950 -0.488 0.000 2.529 192 F HA 0.145 4.671 4.527 -0.000 0.000 0.365 192 F C 0.568 176.081 175.800 -0.479 0.000 1.102 192 F CA -0.298 57.225 58.000 -0.795 0.000 1.271 192 F CB 0.529 38.511 39.000 -1.697 0.000 1.120 192 F HN 0.282 nan 8.300 nan 0.000 0.579 193 I N 4.127 124.646 120.570 -0.086 0.000 2.377 193 I HA 0.206 4.376 4.170 -0.000 0.000 0.293 193 I C -0.174 176.051 176.117 0.180 0.000 0.987 193 I CA -0.968 60.372 61.300 0.067 0.000 1.185 193 I CB 1.142 39.158 38.000 0.027 0.000 1.341 193 I HN 0.436 nan 8.210 nan 0.000 0.455 194 Y N 6.718 127.159 120.300 0.235 0.000 2.314 194 Y HA 0.252 4.802 4.550 -0.000 0.000 0.334 194 Y C -1.571 174.403 175.900 0.124 0.000 1.266 194 Y CA -1.412 56.840 58.100 0.254 0.000 1.391 194 Y CB 0.042 38.619 38.460 0.194 0.000 1.306 194 Y HN 0.386 nan 8.280 nan 0.000 0.558 195 P HA 0.180 nan 4.420 nan 0.000 0.272 195 P C -1.108 176.262 177.300 0.117 0.000 1.223 195 P CA -0.247 62.910 63.100 0.094 0.000 0.784 195 P CB 0.853 32.565 31.700 0.020 0.000 0.923 196 R N 1.896 122.445 120.500 0.082 0.000 2.437 196 R HA 0.257 4.597 4.340 -0.000 0.000 0.310 196 R C 1.024 177.359 176.300 0.059 0.000 0.955 196 R CA -0.650 55.496 56.100 0.077 0.000 0.851 196 R CB 0.830 31.181 30.300 0.086 0.000 1.161 196 R HN 0.343 nan 8.270 nan 0.000 0.446 197 N N 1.613 120.341 118.700 0.048 0.000 2.381 197 N HA -0.156 4.584 4.740 -0.000 0.000 0.182 197 N C 0.718 176.256 175.510 0.047 0.000 1.025 197 N CA 1.103 54.176 53.050 0.038 0.000 0.888 197 N CB 0.086 38.587 38.487 0.024 0.000 0.965 197 N HN 0.633 nan 8.380 nan 0.000 0.438 198 D N -0.282 120.150 120.400 0.053 0.000 2.349 198 D HA -0.038 4.602 4.640 -0.000 0.000 0.224 198 D C 0.220 176.562 176.300 0.070 0.000 1.029 198 D CA 0.101 54.135 54.000 0.057 0.000 0.879 198 D CB -0.041 40.791 40.800 0.053 0.000 0.906 198 D HN 0.171 nan 8.370 nan 0.000 0.528 199 L N 1.163 122.432 121.223 0.077 0.000 2.334 199 L HA 0.305 4.645 4.340 -0.000 0.000 0.273 199 L C 0.333 177.262 176.870 0.100 0.000 1.013 199 L CA -1.287 53.607 54.840 0.090 0.000 0.816 199 L CB 1.631 43.747 42.059 0.095 0.000 1.278 199 L HN -0.088 nan 8.230 nan 0.000 0.431 200 N N 0.084 118.857 118.700 0.122 0.000 2.327 200 N HA -0.030 4.710 4.740 -0.000 0.000 0.257 200 N C 0.776 176.398 175.510 0.187 0.000 1.281 200 N CA -0.203 52.944 53.050 0.162 0.000 0.942 200 N CB 0.285 38.882 38.487 0.183 0.000 1.199 200 N HN 0.505 nan 8.380 nan 0.000 0.532 201 Y N -0.642 119.711 120.300 0.088 0.000 2.081 201 Y HA -0.235 4.315 4.550 -0.000 0.000 0.280 201 Y C 2.481 178.407 175.900 0.043 0.000 1.163 201 Y CA 2.936 61.069 58.100 0.056 0.000 1.135 201 Y CB -0.777 37.735 38.460 0.087 0.000 0.970 201 Y HN 0.685 nan 8.280 nan 0.000 0.498 202 A N -0.203 122.742 122.820 0.208 0.000 1.873 202 A HA -0.182 4.137 4.320 -0.000 0.000 0.215 202 A C 2.062 179.723 177.584 0.127 0.000 1.186 202 A CA 1.805 53.922 52.037 0.134 0.000 0.616 202 A CB -0.702 18.383 19.000 0.141 0.000 0.823 202 A HN 0.605 nan 8.150 nan 0.000 0.442 203 E N -0.226 120.051 120.200 0.130 0.000 2.077 203 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 203 E C 2.008 178.680 176.600 0.120 0.000 0.989 203 E CA 1.067 57.548 56.400 0.135 0.000 0.800 203 E CB -0.295 29.482 29.700 0.130 0.000 0.746 203 E HN 0.719 nan 8.360 nan 0.000 0.452 204 N N 0.172 118.921 118.700 0.081 0.000 2.166 204 N HA -0.174 4.565 4.740 -0.000 0.000 0.186 204 N C 1.791 177.316 175.510 0.026 0.000 1.019 204 N CA 0.746 53.821 53.050 0.041 0.000 0.856 204 N CB -0.060 38.427 38.487 -0.000 0.000 0.993 204 N HN 0.056 nan 8.380 nan 0.000 0.426 205 F N 2.005 121.839 119.950 -0.193 0.000 2.146 205 F HA -0.001 4.526 4.527 -0.000 0.000 0.298 205 F C 2.112 177.789 175.800 -0.204 0.000 1.096 205 F CA 0.802 58.654 58.000 -0.248 0.000 1.275 205 F CB -0.559 38.258 39.000 -0.305 0.000 1.008 205 F HN -0.007 nan 8.300 nan 0.000 0.480 206 L N -0.922 120.233 121.223 -0.115 0.000 2.046 206 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 206 L C 2.781 179.525 176.870 -0.210 0.000 1.077 206 L CA 1.625 56.410 54.840 -0.092 0.000 0.747 206 L CB -1.009 41.176 42.059 0.211 0.000 0.896 206 L HN 0.215 nan 8.230 nan 0.000 0.432 207 S N -0.138 115.472 115.700 -0.151 0.000 2.356 207 S HA -0.205 4.264 4.470 -0.000 0.000 0.223 207 S C 2.067 176.434 174.600 -0.389 0.000 1.032 207 S CA 1.320 59.283 58.200 -0.395 0.000 1.005 207 S CB -0.126 63.064 63.200 -0.016 0.000 0.867 207 S HN 0.282 nan 8.310 nan 0.000 0.449 208 M N 0.167 119.628 119.600 -0.231 0.000 2.213 208 M HA -0.051 4.429 4.480 -0.000 0.000 0.263 208 M C 2.329 178.458 176.300 -0.285 0.000 1.062 208 M CA 1.392 56.592 55.300 -0.167 0.000 1.105 208 M CB -0.338 32.223 32.600 -0.066 0.000 1.385 208 M HN 0.427 nan 8.290 nan 0.000 0.417 209 M N -1.410 117.849 119.600 -0.569 0.000 2.193 209 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 209 M C 1.248 177.137 176.300 -0.685 0.000 1.071 209 M CA 1.661 56.481 55.300 -0.799 0.000 1.140 209 M CB 0.005 31.636 32.600 -1.615 0.000 1.369 209 M HN 0.201 nan 8.290 nan 0.000 0.423 210 F N -0.348 119.408 119.950 -0.324 0.000 2.720 210 F HA 0.363 4.890 4.527 -0.000 0.000 0.301 210 F C 1.222 176.818 175.800 -0.340 0.000 1.103 210 F CA -0.827 57.015 58.000 -0.262 0.000 1.291 210 F CB 0.015 38.918 39.000 -0.162 0.000 1.086 210 F HN -0.091 nan 8.300 nan 0.000 0.592 211 A N 1.736 124.297 122.820 -0.432 0.000 2.498 211 A HA 0.422 4.742 4.320 -0.000 0.000 0.239 211 A C 0.261 177.841 177.584 -0.007 0.000 1.068 211 A CA -0.062 51.843 52.037 -0.220 0.000 0.766 211 A CB 0.201 19.078 19.000 -0.204 0.000 1.003 211 A HN 0.370 nan 8.150 nan 0.000 0.497 212 R N 1.850 122.396 120.500 0.078 0.000 2.732 212 R HA 0.404 4.744 4.340 -0.000 0.000 0.278 212 R C 0.589 176.918 176.300 0.048 0.000 0.976 212 R CA -1.055 55.080 56.100 0.058 0.000 0.963 212 R CB 0.955 31.299 30.300 0.074 0.000 1.150 212 R HN 0.705 nan 8.270 nan 0.000 0.478 213 M N 0.762 120.376 119.600 0.022 0.000 2.492 213 M HA -0.049 4.431 4.480 -0.000 0.000 0.262 213 M C 1.401 177.714 176.300 0.022 0.000 1.090 213 M CA 1.304 56.615 55.300 0.018 0.000 1.110 213 M CB -0.599 31.998 32.600 -0.006 0.000 1.407 213 M HN 0.639 nan 8.290 nan 0.000 0.470 214 S N -0.001 115.714 115.700 0.025 0.000 2.575 214 S HA 0.113 4.583 4.470 -0.000 0.000 0.215 214 S C 0.358 174.977 174.600 0.032 0.000 0.966 214 S CA -0.394 57.819 58.200 0.022 0.000 0.911 214 S CB -0.166 63.043 63.200 0.015 0.000 0.780 214 S HN 0.637 nan 8.310 nan 0.000 0.514 215 E N -0.272 119.958 120.200 0.050 0.000 2.388 215 E HA 0.484 4.834 4.350 -0.000 0.000 0.280 215 E C -3.515 173.134 176.600 0.082 0.000 1.019 215 E CA -2.209 54.224 56.400 0.054 0.000 0.806 215 E CB -0.004 29.725 29.700 0.048 0.000 1.246 215 E HN -0.049 nan 8.360 nan 0.000 0.443 216 P HA 0.035 nan 4.420 nan 0.000 0.268 216 P C -1.436 175.943 177.300 0.131 0.000 1.204 216 P CA -0.042 63.114 63.100 0.093 0.000 0.768 216 P CB 0.017 31.750 31.700 0.055 0.000 0.842 217 Y N 3.248 123.571 120.300 0.039 0.000 2.335 217 Y HA 0.214 4.764 4.550 -0.000 0.000 0.331 217 Y C 0.298 176.221 175.900 0.038 0.000 1.094 217 Y CA -0.050 58.077 58.100 0.045 0.000 1.253 217 Y CB 0.804 39.301 38.460 0.063 0.000 1.203 217 Y HN 0.182 nan 8.280 nan 0.000 0.508 218 K N 6.169 126.226 120.400 -0.573 0.000 2.293 218 K HA 0.346 4.666 4.320 -0.000 0.000 0.267 218 K C -1.152 175.049 176.600 -0.666 0.000 1.010 218 K CA -0.814 55.215 56.287 -0.429 0.000 0.875 218 K CB 1.537 33.892 32.500 -0.241 0.000 1.106 218 K HN 0.447 nan 8.250 nan 0.000 0.450 219 V N 3.715 123.412 119.914 -0.362 0.000 2.479 219 V HA -0.049 4.071 4.120 -0.000 0.000 0.281 219 V C 0.566 176.588 176.094 -0.120 0.000 1.031 219 V CA -0.337 61.858 62.300 -0.175 0.000 1.038 219 V CB 0.289 32.146 31.823 0.057 0.000 0.981 219 V HN 0.654 nan 8.190 nan 0.000 0.478 220 N N 8.344 126.984 118.700 -0.101 0.000 2.401 220 N HA 0.202 4.942 4.740 -0.000 0.000 0.255 220 N C -1.398 174.104 175.510 -0.013 0.000 1.110 220 N CA -1.992 51.019 53.050 -0.064 0.000 0.949 220 N CB 1.803 40.250 38.487 -0.066 0.000 1.110 220 N HN 0.265 nan 8.380 nan 0.000 0.490 221 P HA -0.141 nan 4.420 nan 0.000 0.218 221 P C 1.418 178.726 177.300 0.015 0.000 1.148 221 P CA 0.717 63.824 63.100 0.011 0.000 0.822 221 P CB 0.413 32.117 31.700 0.007 0.000 0.784 222 V N -0.158 119.757 119.914 0.002 0.000 2.343 222 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 222 V C 2.595 178.696 176.094 0.011 0.000 1.051 222 V CA 1.570 63.872 62.300 0.002 0.000 1.036 222 V CB -1.112 30.705 31.823 -0.010 0.000 0.654 222 V HN 0.058 nan 8.190 nan 0.000 0.451 223 L N -0.173 121.057 121.223 0.012 0.000 2.156 223 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 223 L C 2.693 179.597 176.870 0.056 0.000 1.095 223 L CA 1.202 56.059 54.840 0.028 0.000 0.770 223 L CB -0.787 41.290 42.059 0.029 0.000 0.914 223 L HN 0.347 nan 8.230 nan 0.000 0.439 224 A N 0.372 123.229 122.820 0.062 0.000 1.898 224 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 224 A C 2.409 180.038 177.584 0.075 0.000 1.181 224 A CA 1.303 53.389 52.037 0.081 0.000 0.620 224 A CB -0.387 18.662 19.000 0.081 0.000 0.819 224 A HN 0.296 nan 8.150 nan 0.000 0.442 225 R N -0.657 119.877 120.500 0.057 0.000 2.092 225 R HA -0.018 4.322 4.340 -0.000 0.000 0.231 225 R C 2.476 178.808 176.300 0.053 0.000 1.119 225 R CA 1.058 57.191 56.100 0.055 0.000 0.970 225 R CB -0.392 29.931 30.300 0.037 0.000 0.864 225 R HN 0.512 nan 8.270 nan 0.000 0.440 226 A N 1.027 123.872 122.820 0.042 0.000 1.902 226 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 226 A C 2.104 179.717 177.584 0.048 0.000 1.181 226 A CA 1.397 53.455 52.037 0.035 0.000 0.623 226 A CB -0.367 18.644 19.000 0.019 0.000 0.818 226 A HN 0.222 nan 8.150 nan 0.000 0.443 227 M N 0.575 120.211 119.600 0.060 0.000 2.117 227 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 227 M C 1.660 178.000 176.300 0.066 0.000 1.065 227 M CA 2.249 57.589 55.300 0.068 0.000 1.114 227 M CB -0.884 31.774 32.600 0.096 0.000 1.361 227 M HN 0.517 nan 8.290 nan 0.000 0.408 228 N N -0.414 118.341 118.700 0.093 0.000 2.104 228 N HA -0.151 4.589 4.740 -0.000 0.000 0.190 228 N C 1.854 177.464 175.510 0.167 0.000 1.024 228 N CA 1.667 54.801 53.050 0.139 0.000 0.853 228 N CB -0.067 38.506 38.487 0.143 0.000 1.008 228 N HN 0.380 nan 8.380 nan 0.000 0.424 229 R N -0.088 120.482 120.500 0.118 0.000 2.075 229 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 229 R C 2.229 178.606 176.300 0.128 0.000 1.126 229 R CA 1.163 57.330 56.100 0.111 0.000 0.963 229 R CB -0.375 29.965 30.300 0.066 0.000 0.858 229 R HN 0.362 nan 8.270 nan 0.000 0.435 230 I N 1.035 121.668 120.570 0.106 0.000 2.226 230 I HA -0.314 3.856 4.170 -0.000 0.000 0.245 230 I C 2.203 178.447 176.117 0.212 0.000 1.100 230 I CA 1.303 62.686 61.300 0.139 0.000 1.374 230 I CB -0.172 37.861 38.000 0.055 0.000 1.057 230 I HN 0.177 nan 8.210 nan 0.000 0.413 231 L N 0.136 121.422 121.223 0.106 0.000 2.046 231 L HA -0.221 4.118 4.340 -0.000 0.000 0.208 231 L C 2.489 179.748 176.870 0.649 0.000 1.077 231 L CA 1.425 56.301 54.840 0.060 0.000 0.747 231 L CB -0.471 41.128 42.059 -0.767 0.000 0.896 231 L HN 0.212 nan 8.230 nan 0.000 0.432 232 I N -0.147 120.767 120.570 0.572 0.000 2.226 232 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 232 I C 2.328 178.552 176.117 0.177 0.000 1.100 232 I CA 1.367 62.847 61.300 0.299 0.000 1.374 232 I CB -0.195 37.913 38.000 0.179 0.000 1.057 232 I HN 0.222 nan 8.210 nan 0.000 0.413 233 L N -0.440 120.864 121.223 0.136 0.000 2.362 233 L HA -0.197 4.143 4.340 -0.000 0.000 0.219 233 L C 1.614 178.365 176.870 -0.199 0.000 1.134 233 L CA 1.167 55.991 54.840 -0.027 0.000 0.807 233 L CB -0.607 41.378 42.059 -0.122 0.000 0.927 233 L HN 0.368 nan 8.230 nan 0.000 0.447 234 H N -1.935 117.120 119.070 -0.025 0.000 2.755 234 H HA 0.272 4.828 4.556 -0.000 0.000 0.273 234 H C 1.979 177.330 175.328 0.038 0.000 1.055 234 H CA 0.409 56.383 56.048 -0.123 0.000 1.191 234 H CB 0.378 29.926 29.762 -0.357 0.000 1.536 234 H HN 0.163 nan 8.280 nan 0.000 0.529 235 A N 0.326 123.238 122.820 0.154 0.000 1.892 235 A HA -0.140 4.180 4.320 -0.000 0.000 0.218 235 A C 0.591 178.155 177.584 -0.034 0.000 1.188 235 A CA 2.078 54.139 52.037 0.038 0.000 0.631 235 A CB -0.090 18.820 19.000 -0.150 0.000 0.822 235 A HN 0.486 nan 8.150 nan 0.000 0.447 236 D N -4.907 115.499 120.400 0.010 0.000 2.717 236 D HA 0.413 5.053 4.640 -0.000 0.000 0.223 236 D C -0.947 175.570 176.300 0.363 0.000 1.240 236 D CA -0.532 53.525 54.000 0.096 0.000 0.801 236 D CB 0.781 41.553 40.800 -0.047 0.000 1.556 236 D HN 0.183 nan 8.370 nan 0.000 0.462 237 H N 3.339 122.538 119.070 0.216 0.000 3.083 237 H HA 0.180 4.736 4.556 -0.000 0.000 0.217 237 H C -0.022 175.405 175.328 0.165 0.000 1.397 237 H CA -0.136 56.049 56.048 0.228 0.000 1.248 237 H CB 0.222 30.145 29.762 0.267 0.000 2.199 237 H HN 0.703 nan 8.280 nan 0.000 0.521 238 E N 0.287 120.524 120.200 0.062 0.000 3.365 238 E HA -0.233 4.117 4.350 -0.000 0.000 0.286 238 E C -0.375 176.262 176.600 0.060 0.000 1.466 238 E CA 0.981 57.383 56.400 0.003 0.000 1.995 238 E CB -0.354 29.249 29.700 -0.161 0.000 1.981 238 E HN 0.457 nan 8.360 nan 0.000 0.495 239 Q N 1.427 121.235 119.800 0.014 0.000 2.938 239 Q HA 0.124 4.464 4.340 -0.000 0.000 0.343 239 Q C -0.179 175.841 176.000 0.034 0.000 1.185 239 Q CA 0.445 56.264 55.803 0.027 0.000 0.939 239 Q CB -1.229 27.498 28.738 -0.018 0.000 1.480 239 Q HN 0.322 nan 8.270 nan 0.000 0.442 240 N N -1.225 117.538 118.700 0.105 0.000 2.288 240 N HA 0.179 4.919 4.740 -0.000 0.000 0.237 240 N C 1.105 176.620 175.510 0.009 0.000 1.311 240 N CA 0.310 53.401 53.050 0.069 0.000 0.909 240 N CB 0.542 39.171 38.487 0.235 0.000 1.167 240 N HN 0.016 nan 8.380 nan 0.000 0.476 241 A N 0.299 123.002 122.820 -0.195 0.000 1.892 241 A HA -0.256 4.064 4.320 -0.000 0.000 0.218 241 A C 2.249 179.878 177.584 0.075 0.000 1.188 241 A CA 2.467 54.429 52.037 -0.125 0.000 0.631 241 A CB -1.691 17.154 19.000 -0.259 0.000 0.822 241 A HN 0.850 nan 8.150 nan 0.000 0.447 242 S N -1.471 114.436 115.700 0.346 0.000 2.368 242 S HA -0.138 4.332 4.470 -0.000 0.000 0.224 242 S C 1.864 176.556 174.600 0.152 0.000 1.029 242 S CA 1.878 60.265 58.200 0.312 0.000 0.988 242 S CB -1.177 62.363 63.200 0.567 0.000 0.838 242 S HN 0.469 nan 8.310 nan 0.000 0.462 243 T N 2.254 117.031 114.554 0.371 0.000 2.788 243 T HA -0.002 4.347 4.350 -0.000 0.000 0.268 243 T C 2.090 176.851 174.700 0.102 0.000 1.044 243 T CA 1.539 63.823 62.100 0.307 0.000 1.139 243 T CB -0.560 68.523 68.868 0.358 0.000 0.867 243 T HN 0.516 nan 8.240 nan 0.000 0.454 244 S N 0.874 116.607 115.700 0.054 0.000 2.383 244 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 244 S C 2.339 176.905 174.600 -0.056 0.000 1.026 244 S CA 1.238 59.419 58.200 -0.031 0.000 0.981 244 S CB -0.478 62.672 63.200 -0.084 0.000 0.818 244 S HN 0.525 nan 8.310 nan 0.000 0.472 245 T N 1.904 116.427 114.554 -0.053 0.000 2.777 245 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 245 T C 1.940 176.578 174.700 -0.104 0.000 1.040 245 T CA 1.005 63.059 62.100 -0.077 0.000 1.141 245 T CB -0.347 68.470 68.868 -0.084 0.000 0.868 245 T HN 0.172 nan 8.240 nan 0.000 0.444 246 V N 1.424 121.248 119.914 -0.150 0.000 2.343 246 V HA -0.173 3.947 4.120 -0.000 0.000 0.247 246 V C 2.637 178.738 176.094 0.011 0.000 1.051 246 V CA 1.652 63.867 62.300 -0.141 0.000 1.036 246 V CB -0.516 31.184 31.823 -0.205 0.000 0.654 246 V HN 0.370 nan 8.190 nan 0.000 0.451 247 R N -0.731 119.788 120.500 0.032 0.000 2.075 247 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 247 R C 2.330 178.642 176.300 0.019 0.000 1.126 247 R CA 1.356 57.487 56.100 0.052 0.000 0.963 247 R CB -0.380 29.929 30.300 0.015 0.000 0.858 247 R HN 0.405 nan 8.270 nan 0.000 0.435 248 L N 0.115 121.325 121.223 -0.021 0.000 1.994 248 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 248 L C 2.466 179.334 176.870 -0.004 0.000 1.071 248 L CA 1.453 56.275 54.840 -0.030 0.000 0.745 248 L CB -0.353 41.674 42.059 -0.053 0.000 0.892 248 L HN 0.234 nan 8.230 nan 0.000 0.431 249 A N -0.510 122.306 122.820 -0.006 0.000 1.930 249 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 249 A C 2.262 179.875 177.584 0.048 0.000 1.175 249 A CA 1.519 53.557 52.037 0.002 0.000 0.627 249 A CB -1.259 17.723 19.000 -0.031 0.000 0.815 249 A HN 0.512 nan 8.150 nan 0.000 0.443 250 G N 0.016 108.878 108.800 0.103 0.000 2.448 250 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.219 250 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.219 250 G C 1.840 176.835 174.900 0.159 0.000 1.127 250 G CA 1.556 46.801 45.100 0.241 0.000 0.766 250 G HN 0.878 nan 8.290 nan 0.000 0.552 251 S N 0.781 116.526 115.700 0.075 0.000 2.469 251 S HA -0.138 4.332 4.470 -0.000 0.000 0.238 251 S C 2.165 176.783 174.600 0.030 0.000 0.998 251 S CA 1.918 60.136 58.200 0.030 0.000 0.957 251 S CB -0.694 62.507 63.200 0.001 0.000 0.764 251 S HN 0.495 nan 8.310 nan 0.000 0.514 252 T N -3.153 111.427 114.554 0.043 0.000 3.100 252 T HA 0.473 4.822 4.350 -0.000 0.000 0.253 252 T C 1.535 176.264 174.700 0.049 0.000 1.118 252 T CA 0.635 62.756 62.100 0.034 0.000 1.058 252 T CB -0.281 68.604 68.868 0.027 0.000 0.953 252 T HN 1.254 nan 8.240 nan 0.000 0.515 253 G N 1.051 109.900 108.800 0.081 0.000 2.141 253 G HA2 0.018 3.978 3.960 -0.000 0.000 0.231 253 G HA3 0.018 3.978 3.960 -0.000 0.000 0.231 253 G C 0.266 175.239 174.900 0.122 0.000 0.984 253 G CA -0.166 44.996 45.100 0.104 0.000 0.660 253 G HN 1.139 nan 8.290 nan 0.000 0.525 254 A N 0.122 123.007 122.820 0.109 0.000 2.483 254 A HA 0.502 4.822 4.320 -0.000 0.000 0.238 254 A C 0.903 178.531 177.584 0.073 0.000 1.070 254 A CA 0.391 52.472 52.037 0.074 0.000 0.770 254 A CB 0.220 19.243 19.000 0.038 0.000 1.008 254 A HN 0.845 nan 8.150 nan 0.000 0.497 255 N N 2.859 121.586 118.700 0.045 0.000 2.294 255 N HA -0.049 4.691 4.740 -0.000 0.000 0.263 255 N C -1.259 174.196 175.510 -0.092 0.000 1.281 255 N CA -0.721 52.350 53.050 0.036 0.000 0.846 255 N CB 0.842 39.367 38.487 0.064 0.000 1.061 255 N HN 0.378 nan 8.380 nan 0.000 0.478 256 P HA -0.145 nan 4.420 nan 0.000 0.219 256 P C 1.182 178.155 177.300 -0.545 0.000 1.146 256 P CA 1.286 63.898 63.100 -0.814 0.000 0.808 256 P CB -0.041 30.701 31.700 -1.596 0.000 0.779 257 F N 1.068 120.835 119.950 -0.306 0.000 2.186 257 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 257 F C 2.758 178.453 175.800 -0.175 0.000 1.090 257 F CA 1.335 59.216 58.000 -0.199 0.000 1.307 257 F CB -1.389 37.557 39.000 -0.089 0.000 1.019 257 F HN -0.052 nan 8.300 nan 0.000 0.489 258 A N -1.073 121.760 122.820 0.021 0.000 1.930 258 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 258 A C 2.237 179.756 177.584 -0.108 0.000 1.175 258 A CA 1.600 53.617 52.037 -0.033 0.000 0.627 258 A CB -1.448 17.541 19.000 -0.019 0.000 0.815 258 A HN 0.474 nan 8.150 nan 0.000 0.443 259 C N -0.914 118.281 119.300 -0.176 0.000 2.440 259 C HA -0.053 4.407 4.460 -0.000 0.000 0.278 259 C C 2.411 177.223 174.990 -0.297 0.000 1.295 259 C CA 0.809 59.695 59.018 -0.220 0.000 1.738 259 C CB -1.227 26.353 27.740 -0.266 0.000 1.987 259 C HN 0.576 nan 8.230 nan 0.000 0.492 260 I N 1.748 122.134 120.570 -0.308 0.000 2.439 260 I HA -0.074 4.096 4.170 -0.000 0.000 0.251 260 I C 2.578 178.500 176.117 -0.325 0.000 1.139 260 I CA 1.243 62.338 61.300 -0.341 0.000 1.438 260 I CB -0.977 36.915 38.000 -0.181 0.000 1.085 260 I HN 0.236 nan 8.210 nan 0.000 0.427 261 A N 0.324 123.030 122.820 -0.190 0.000 1.933 261 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 261 A C 2.539 180.026 177.584 -0.163 0.000 1.175 261 A CA 1.799 53.759 52.037 -0.129 0.000 0.628 261 A CB -0.963 17.998 19.000 -0.065 0.000 0.814 261 A HN 0.381 nan 8.150 nan 0.000 0.444 262 A N -0.477 122.228 122.820 -0.192 0.000 1.902 262 A HA 0.128 4.448 4.320 -0.000 0.000 0.217 262 A C 2.396 179.813 177.584 -0.278 0.000 1.181 262 A CA 1.892 53.825 52.037 -0.174 0.000 0.623 262 A CB -1.332 17.578 19.000 -0.149 0.000 0.818 262 A HN 0.713 nan 8.150 nan 0.000 0.443 263 G N 0.006 108.474 108.800 -0.553 0.000 2.418 263 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.217 263 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.217 263 G C 1.516 176.001 174.900 -0.692 0.000 1.158 263 G CA 1.085 45.623 45.100 -0.936 0.000 0.771 263 G HN 0.476 nan 8.290 nan 0.000 0.545 264 I N 1.416 121.670 120.570 -0.527 0.000 2.226 264 I HA -0.195 3.974 4.170 -0.000 0.000 0.245 264 I C 3.299 179.440 176.117 0.040 0.000 1.100 264 I CA 0.957 62.207 61.300 -0.082 0.000 1.374 264 I CB -0.213 37.773 38.000 -0.023 0.000 1.057 264 I HN 0.245 nan 8.210 nan 0.000 0.413 265 A N 0.803 123.642 122.820 0.031 0.000 1.883 265 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 265 A C 2.553 180.240 177.584 0.173 0.000 1.186 265 A CA 2.115 54.254 52.037 0.170 0.000 0.624 265 A CB -0.951 18.112 19.000 0.104 0.000 0.822 265 A HN 0.442 nan 8.150 nan 0.000 0.444 266 A N -0.756 122.112 122.820 0.081 0.000 1.902 266 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 266 A C 2.138 179.855 177.584 0.222 0.000 1.181 266 A CA 1.724 53.842 52.037 0.135 0.000 0.623 266 A CB -0.653 18.411 19.000 0.107 0.000 0.818 266 A HN 0.659 nan 8.150 nan 0.000 0.443 267 L N -1.555 119.756 121.223 0.147 0.000 2.131 267 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 267 L C 2.154 179.060 176.870 0.060 0.000 1.092 267 L CA 1.729 56.518 54.840 -0.085 0.000 0.759 267 L CB -0.549 41.471 42.059 -0.065 0.000 0.903 267 L HN 0.662 nan 8.230 nan 0.000 0.435 268 W N 1.224 122.506 121.300 -0.031 0.000 2.350 268 W HA 0.002 4.662 4.660 -0.001 0.000 0.289 268 W C 1.408 177.930 176.519 0.005 0.000 1.215 268 W CA 0.731 58.066 57.345 -0.017 0.000 1.236 268 W CB -1.151 28.294 29.460 -0.024 0.000 1.130 268 W HN 0.182 nan 8.180 nan 0.000 0.541 269 G N 1.799 110.693 108.800 0.157 0.000 2.321 269 G HA2 -0.005 3.954 3.960 -0.000 0.000 0.237 269 G HA3 -0.005 3.954 3.960 -0.000 0.000 0.237 269 G C -1.309 173.658 174.900 0.112 0.000 1.282 269 G CA -0.264 44.867 45.100 0.051 0.000 0.886 269 G HN 0.125 nan 8.290 nan 0.000 0.528 270 P HA -0.085 nan 4.420 nan 0.000 0.225 270 P C 1.463 178.860 177.300 0.161 0.000 1.148 270 P CA 1.315 64.490 63.100 0.125 0.000 0.779 270 P CB 0.333 32.085 31.700 0.088 0.000 0.780 271 A N -1.928 120.979 122.820 0.145 0.000 2.169 271 A HA -0.041 4.278 4.320 -0.000 0.000 0.212 271 A C 1.656 179.365 177.584 0.209 0.000 1.153 271 A CA 0.810 52.937 52.037 0.149 0.000 0.756 271 A CB -0.832 18.224 19.000 0.094 0.000 0.813 271 A HN 0.208 nan 8.150 nan 0.000 0.471 272 H N -1.823 117.312 119.070 0.108 0.000 4.150 272 H HA 0.466 5.022 4.556 -0.000 0.000 0.267 272 H C 1.969 177.382 175.328 0.142 0.000 1.481 272 H CA 0.415 56.528 56.048 0.108 0.000 1.230 272 H CB -0.322 29.483 29.762 0.071 0.000 0.975 272 H HN 0.032 nan 8.280 nan 0.000 0.637 273 G N -0.673 108.029 108.800 -0.163 0.000 2.462 273 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.220 273 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.220 273 G C 1.501 176.513 174.900 0.185 0.000 1.121 273 G CA 0.788 45.783 45.100 -0.175 0.000 0.758 273 G HN 0.624 nan 8.290 nan 0.000 0.559 274 G N 0.689 109.610 108.800 0.201 0.000 2.535 274 G HA2 0.115 4.075 3.960 -0.000 0.000 0.218 274 G HA3 0.115 4.075 3.960 -0.000 0.000 0.218 274 G C 1.798 176.860 174.900 0.269 0.000 1.122 274 G CA 1.194 46.457 45.100 0.271 0.000 0.769 274 G HN 0.602 nan 8.290 nan 0.000 0.549 275 A N 1.962 124.949 122.820 0.278 0.000 2.015 275 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 275 A C 2.232 179.994 177.584 0.295 0.000 1.163 275 A CA 1.878 54.082 52.037 0.279 0.000 0.646 275 A CB -0.388 18.790 19.000 0.297 0.000 0.806 275 A HN 0.531 nan 8.150 nan 0.000 0.448 276 N N 0.544 119.450 118.700 0.343 0.000 2.244 276 N HA -0.194 4.546 4.740 -0.000 0.000 0.183 276 N C 1.438 177.196 175.510 0.413 0.000 1.016 276 N CA 1.692 54.939 53.050 0.329 0.000 0.866 276 N CB -0.612 38.055 38.487 0.300 0.000 0.980 276 N HN 0.720 nan 8.380 nan 0.000 0.430 277 E N 0.257 120.703 120.200 0.410 0.000 2.072 277 E HA 0.023 4.373 4.350 -0.000 0.000 0.190 277 E C 1.844 178.580 176.600 0.228 0.000 0.982 277 E CA 0.872 57.473 56.400 0.335 0.000 0.803 277 E CB -0.219 29.640 29.700 0.265 0.000 0.755 277 E HN 0.410 nan 8.360 nan 0.000 0.453 278 A N 0.634 123.584 122.820 0.217 0.000 1.933 278 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 278 A C 2.384 180.054 177.584 0.145 0.000 1.175 278 A CA 1.389 53.527 52.037 0.169 0.000 0.628 278 A CB -0.680 18.426 19.000 0.177 0.000 0.814 278 A HN 0.234 nan 8.150 nan 0.000 0.444 279 V N -0.589 119.422 119.914 0.162 0.000 2.287 279 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 279 V C 2.483 178.595 176.094 0.029 0.000 1.053 279 V CA 2.029 64.385 62.300 0.094 0.000 1.027 279 V CB -0.672 31.191 31.823 0.067 0.000 0.646 279 V HN 0.533 nan 8.190 nan 0.000 0.447 280 L N -0.043 121.237 121.223 0.094 0.000 2.141 280 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 280 L C 2.417 179.305 176.870 0.030 0.000 1.094 280 L CA 1.962 56.847 54.840 0.075 0.000 0.763 280 L CB -0.670 41.510 42.059 0.201 0.000 0.908 280 L HN 0.290 nan 8.230 nan 0.000 0.437 281 K N -0.851 119.575 120.400 0.043 0.000 2.097 281 K HA -0.212 4.107 4.320 -0.000 0.000 0.205 281 K C 2.175 178.769 176.600 -0.010 0.000 1.050 281 K CA 1.588 57.889 56.287 0.023 0.000 0.938 281 K CB -0.140 32.389 32.500 0.049 0.000 0.718 281 K HN 0.320 nan 8.250 nan 0.000 0.442 282 M N 0.671 120.257 119.600 -0.024 0.000 2.099 282 M HA -0.138 4.342 4.480 -0.000 0.000 0.262 282 M C 1.735 177.912 176.300 -0.205 0.000 1.067 282 M CA 1.468 56.697 55.300 -0.118 0.000 1.124 282 M CB -0.058 32.480 32.600 -0.103 0.000 1.353 282 M HN 0.174 nan 8.290 nan 0.000 0.410 283 L N 0.510 121.640 121.223 -0.154 0.000 2.083 283 L HA -0.154 4.186 4.340 -0.000 0.000 0.209 283 L C 2.830 179.638 176.870 -0.105 0.000 1.083 283 L CA 1.185 55.934 54.840 -0.152 0.000 0.752 283 L CB -1.062 40.920 42.059 -0.129 0.000 0.899 283 L HN 0.441 nan 8.230 nan 0.000 0.433 284 A N -0.130 122.649 122.820 -0.067 0.000 1.898 284 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 284 A C 2.432 179.988 177.584 -0.046 0.000 1.181 284 A CA 1.244 53.257 52.037 -0.041 0.000 0.620 284 A CB -0.405 18.583 19.000 -0.019 0.000 0.819 284 A HN 0.280 nan 8.150 nan 0.000 0.442 285 R N -0.626 119.837 120.500 -0.061 0.000 2.075 285 R HA -0.036 4.303 4.340 -0.000 0.000 0.232 285 R C 2.024 178.284 176.300 -0.066 0.000 1.126 285 R CA 1.512 57.582 56.100 -0.050 0.000 0.963 285 R CB -0.510 29.766 30.300 -0.040 0.000 0.858 285 R HN 0.589 nan 8.270 nan 0.000 0.435 286 I N -0.348 120.141 120.570 -0.136 0.000 2.226 286 I HA -0.224 3.945 4.170 -0.000 0.000 0.245 286 I C 2.080 178.164 176.117 -0.056 0.000 1.100 286 I CA 1.455 62.681 61.300 -0.123 0.000 1.374 286 I CB -0.501 37.369 38.000 -0.216 0.000 1.057 286 I HN 0.456 nan 8.210 nan 0.000 0.413 287 G N 1.356 110.124 108.800 -0.055 0.000 4.236 287 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.222 287 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.222 287 G C 0.530 175.420 174.900 -0.017 0.000 1.354 287 G CA 0.852 45.936 45.100 -0.027 0.000 0.966 287 G HN 0.527 nan 8.290 nan 0.000 0.624 288 K N 0.399 120.794 120.400 -0.009 0.000 2.443 288 K HA 0.708 5.028 4.320 -0.000 0.000 0.251 288 K C 0.890 177.495 176.600 0.008 0.000 0.972 288 K CA -0.321 55.968 56.287 0.002 0.000 0.833 288 K CB 2.250 34.755 32.500 0.008 0.000 1.317 288 K HN 0.127 nan 8.250 nan 0.000 0.441 289 K N 1.130 121.540 120.400 0.016 0.000 2.059 289 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 289 K C 1.124 177.740 176.600 0.028 0.000 1.050 289 K CA 2.372 58.674 56.287 0.025 0.000 0.927 289 K CB -0.050 32.468 32.500 0.029 0.000 0.714 289 K HN 0.700 nan 8.250 nan 0.000 0.447 290 E N -0.028 120.187 120.200 0.025 0.000 2.333 290 E HA -0.137 4.213 4.350 -0.000 0.000 0.198 290 E C 1.207 177.827 176.600 0.033 0.000 1.007 290 E CA 0.623 57.039 56.400 0.027 0.000 0.845 290 E CB -0.019 29.695 29.700 0.023 0.000 0.766 290 E HN 0.338 nan 8.360 nan 0.000 0.507 291 N N 0.265 118.985 118.700 0.034 0.000 2.336 291 N HA 0.085 4.824 4.740 -0.000 0.000 0.189 291 N C 1.504 177.062 175.510 0.079 0.000 1.113 291 N CA 0.222 53.301 53.050 0.047 0.000 0.858 291 N CB 0.331 38.838 38.487 0.033 0.000 0.970 291 N HN 0.222 nan 8.380 nan 0.000 0.471 292 I N 1.736 122.348 120.570 0.071 0.000 2.142 292 I HA -0.169 4.000 4.170 -0.000 0.000 0.240 292 I C -0.648 175.546 176.117 0.128 0.000 1.078 292 I CA 1.308 62.673 61.300 0.109 0.000 1.343 292 I CB -1.326 36.715 38.000 0.069 0.000 1.046 292 I HN -0.002 nan 8.210 nan 0.000 0.405 293 P HA -0.228 nan 4.420 nan 0.000 0.215 293 P C 1.478 178.810 177.300 0.053 0.000 1.157 293 P CA 2.062 65.195 63.100 0.056 0.000 0.874 293 P CB -0.046 31.677 31.700 0.039 0.000 0.790 294 A N -1.635 121.226 122.820 0.068 0.000 1.972 294 A HA -0.192 4.127 4.320 -0.000 0.000 0.219 294 A C 2.086 179.715 177.584 0.075 0.000 1.169 294 A CA 1.305 53.377 52.037 0.058 0.000 0.635 294 A CB -1.744 17.294 19.000 0.064 0.000 0.810 294 A HN 0.173 nan 8.150 nan 0.000 0.446 295 F N 0.684 120.629 119.950 -0.007 0.000 2.163 295 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 295 F C 1.908 177.700 175.800 -0.014 0.000 1.094 295 F CA 1.080 59.076 58.000 -0.006 0.000 1.290 295 F CB -0.062 38.938 39.000 -0.001 0.000 1.017 295 F HN 0.117 nan 8.300 nan 0.000 0.483 296 I N 0.912 121.446 120.570 -0.060 0.000 2.286 296 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 296 I C 2.725 178.719 176.117 -0.206 0.000 1.115 296 I CA 1.437 62.660 61.300 -0.128 0.000 1.392 296 I CB -2.053 35.958 38.000 0.018 0.000 1.065 296 I HN 0.258 nan 8.210 nan 0.000 0.418 297 A N 0.483 123.218 122.820 -0.141 0.000 1.908 297 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 297 A C 2.255 179.716 177.584 -0.205 0.000 1.181 297 A CA 1.570 53.521 52.037 -0.143 0.000 0.627 297 A CB -0.623 18.331 19.000 -0.076 0.000 0.818 297 A HN 0.531 nan 8.150 nan 0.000 0.445 298 Q N -0.656 119.001 119.800 -0.238 0.000 2.119 298 Q HA -0.075 4.265 4.340 -0.000 0.000 0.201 298 Q C 2.052 177.852 176.000 -0.334 0.000 0.972 298 Q CA 1.432 57.088 55.803 -0.246 0.000 0.847 298 Q CB -0.334 28.269 28.738 -0.226 0.000 0.903 298 Q HN 0.466 nan 8.270 nan 0.000 0.433 299 V N 1.387 121.004 119.914 -0.495 0.000 2.490 299 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 299 V C 1.924 177.690 176.094 -0.548 0.000 1.061 299 V CA 1.726 63.737 62.300 -0.481 0.000 1.064 299 V CB -0.303 31.236 31.823 -0.473 0.000 0.670 299 V HN 0.294 nan 8.190 nan 0.000 0.461 300 K N -0.560 119.490 120.400 -0.583 0.000 2.211 300 K HA -0.008 4.312 4.320 -0.000 0.000 0.201 300 K C 0.813 177.212 176.600 -0.334 0.000 1.052 300 K CA 0.141 56.021 56.287 -0.679 0.000 0.973 300 K CB -0.051 32.126 32.500 -0.539 0.000 0.766 300 K HN 0.345 nan 8.250 nan 0.000 0.466 301 D N 2.235 122.491 120.400 -0.240 0.000 2.389 301 D HA -0.035 4.605 4.640 -0.000 0.000 0.263 301 D C 0.404 176.635 176.300 -0.115 0.000 1.255 301 D CA 0.474 54.388 54.000 -0.143 0.000 0.914 301 D CB 0.805 41.535 40.800 -0.117 0.000 1.116 301 D HN -0.021 nan 8.370 nan 0.000 0.502 302 K N 2.638 122.991 120.400 -0.077 0.000 2.160 302 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 302 K C 0.706 177.282 176.600 -0.039 0.000 1.047 302 K CA 1.143 57.403 56.287 -0.046 0.000 0.930 302 K CB -0.052 32.432 32.500 -0.025 0.000 0.720 302 K HN 0.358 nan 8.250 nan 0.000 0.450 303 N N 0.150 118.825 118.700 -0.042 0.000 2.441 303 N HA -0.021 4.718 4.740 -0.000 0.000 0.225 303 N C 0.623 176.113 175.510 -0.034 0.000 1.208 303 N CA 0.256 53.287 53.050 -0.031 0.000 0.847 303 N CB 0.472 38.943 38.487 -0.027 0.000 1.121 303 N HN 0.205 nan 8.380 nan 0.000 0.479 304 S N -1.820 113.854 115.700 -0.044 0.000 2.591 304 S HA 0.287 4.757 4.470 -0.000 0.000 0.235 304 S C 1.614 176.201 174.600 -0.023 0.000 1.074 304 S CA 0.471 58.645 58.200 -0.043 0.000 0.925 304 S CB 0.031 63.182 63.200 -0.082 0.000 0.818 304 S HN 0.265 nan 8.310 nan 0.000 0.535 305 G N 0.677 109.465 108.800 -0.019 0.000 2.157 305 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.248 305 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.248 305 G C -0.034 174.874 174.900 0.014 0.000 0.979 305 G CA 0.114 45.215 45.100 0.002 0.000 0.650 305 G HN 0.846 nan 8.290 nan 0.000 0.529 306 V N 1.959 121.865 119.914 -0.013 0.000 2.394 306 V HA 0.598 4.718 4.120 -0.000 0.000 0.282 306 V C 0.153 176.233 176.094 -0.025 0.000 1.031 306 V CA -0.689 61.607 62.300 -0.007 0.000 0.881 306 V CB 1.679 33.465 31.823 -0.062 0.000 0.982 306 V HN 0.233 nan 8.190 nan 0.000 0.451 307 K N 3.467 123.914 120.400 0.078 0.000 2.221 307 K HA 0.539 4.858 4.320 -0.000 0.000 0.243 307 K C -0.813 175.937 176.600 0.249 0.000 0.968 307 K CA -1.089 55.275 56.287 0.129 0.000 0.846 307 K CB 2.594 35.195 32.500 0.167 0.000 1.141 307 K HN 0.455 nan 8.250 nan 0.000 0.434 308 L N 3.446 124.840 121.223 0.285 0.000 2.356 308 L HA 0.174 4.514 4.340 -0.000 0.000 0.282 308 L C -0.416 176.690 176.870 0.393 0.000 1.132 308 L CA -0.029 55.038 54.840 0.379 0.000 0.923 308 L CB -0.166 42.009 42.059 0.193 0.000 1.278 308 L HN 0.443 nan 8.230 nan 0.000 0.436 309 M N 4.110 123.947 119.600 0.394 0.000 2.249 309 M HA 0.225 4.705 4.480 -0.000 0.000 0.340 309 M C 1.483 178.071 176.300 0.481 0.000 1.166 309 M CA 0.893 56.412 55.300 0.364 0.000 1.115 309 M CB -0.405 32.365 32.600 0.284 0.000 1.606 309 M HN 0.812 nan 8.290 nan 0.000 0.448 310 G N 1.986 111.061 108.800 0.458 0.000 2.175 310 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.244 310 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.244 310 G C -0.277 174.891 174.900 0.446 0.000 0.982 310 G CA -0.440 44.980 45.100 0.533 0.000 0.641 310 G HN 0.526 nan 8.290 nan 0.000 0.527 311 F N 0.488 120.550 119.950 0.187 0.000 2.579 311 F HA 0.690 5.217 4.527 -0.000 0.000 0.324 311 F C 0.816 176.734 175.800 0.196 0.000 1.058 311 F CA 0.261 58.328 58.000 0.112 0.000 0.944 311 F CB 2.167 41.216 39.000 0.082 0.000 1.245 311 F HN 1.125 nan 8.300 nan 0.000 0.477 312 G N 1.960 110.953 108.800 0.322 0.000 2.705 312 G HA2 0.150 4.110 3.960 -0.000 0.000 0.686 312 G HA3 0.150 4.110 3.960 -0.000 0.000 0.686 312 G C -1.711 173.384 174.900 0.325 0.000 1.285 312 G CA -0.746 44.533 45.100 0.299 0.000 0.800 312 G HN 1.079 nan 8.290 nan 0.000 0.611 313 H N 0.598 119.772 119.070 0.173 0.000 3.121 313 H HA 0.381 4.937 4.556 -0.000 0.000 0.337 313 H C 1.177 176.564 175.328 0.099 0.000 1.198 313 H CA -0.175 55.970 56.048 0.162 0.000 1.274 313 H CB 1.702 31.610 29.762 0.242 0.000 1.954 313 H HN 0.658 nan 8.280 nan 0.000 0.531 314 R N 2.347 122.765 120.500 -0.137 0.000 2.092 314 R HA -0.028 4.311 4.340 -0.000 0.000 0.231 314 R C 0.737 177.080 176.300 0.071 0.000 1.119 314 R CA 2.308 58.386 56.100 -0.036 0.000 0.970 314 R CB -0.452 29.780 30.300 -0.114 0.000 0.864 314 R HN 0.338 nan 8.270 nan 0.000 0.440 315 V N -1.026 119.029 119.914 0.235 0.000 2.521 315 V HA 0.116 4.236 4.120 -0.000 0.000 0.239 315 V C 0.498 176.601 176.094 0.014 0.000 1.053 315 V CA 0.279 62.619 62.300 0.067 0.000 1.073 315 V CB -0.416 31.338 31.823 -0.115 0.000 0.746 315 V HN 0.102 nan 8.190 nan 0.000 0.476 316 Y N 1.611 122.003 120.300 0.153 0.000 2.526 316 Y HA 0.189 4.739 4.550 -0.000 0.000 0.330 316 Y C 0.990 176.907 175.900 0.028 0.000 1.156 316 Y CA 0.093 58.168 58.100 -0.041 0.000 1.419 316 Y CB 0.495 38.826 38.460 -0.215 0.000 1.250 316 Y HN -0.010 nan 8.280 nan 0.000 0.540 317 K N 3.191 123.677 120.400 0.143 0.000 3.084 317 K HA 0.261 4.581 4.320 -0.000 0.000 0.210 317 K C -0.906 175.668 176.600 -0.043 0.000 1.137 317 K CA -0.193 56.168 56.287 0.123 0.000 1.010 317 K CB -0.005 32.553 32.500 0.098 0.000 0.806 317 K HN 0.663 nan 8.250 nan 0.000 0.460 318 N N -0.267 118.219 118.700 -0.357 0.000 3.339 318 N HA 0.277 5.017 4.740 -0.000 0.000 0.275 318 N C -1.224 173.619 175.510 -1.111 0.000 1.514 318 N CA -0.606 51.832 53.050 -1.020 0.000 0.879 318 N CB 0.497 38.744 38.487 -0.400 0.000 1.557 318 N HN -0.118 nan 8.380 nan 0.000 0.524 319 F N 1.116 120.515 119.950 -0.917 0.000 2.563 319 F HA 0.071 4.597 4.527 -0.000 0.000 0.363 319 F C 1.400 176.840 175.800 -0.601 0.000 1.123 319 F CA 0.240 57.911 58.000 -0.549 0.000 1.307 319 F CB 0.313 39.114 39.000 -0.332 0.000 1.115 319 F HN 0.223 nan 8.300 nan 0.000 0.592 320 D N 5.573 125.712 120.400 -0.436 0.000 2.317 320 D HA 0.099 4.739 4.640 -0.000 0.000 0.252 320 D C -1.477 174.544 176.300 -0.464 0.000 1.174 320 D CA -2.367 51.109 54.000 -0.872 0.000 0.866 320 D CB 1.410 41.879 40.800 -0.552 0.000 1.127 320 D HN 0.153 nan 8.370 nan 0.000 0.467 321 P HA -0.127 nan 4.420 nan 0.000 0.220 321 P C 0.982 178.196 177.300 -0.144 0.000 1.148 321 P CA 0.839 63.812 63.100 -0.211 0.000 0.803 321 P CB 0.460 32.072 31.700 -0.146 0.000 0.782 322 R N -0.044 120.362 120.500 -0.157 0.000 2.115 322 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 322 R C 2.544 178.795 176.300 -0.081 0.000 1.100 322 R CA 1.203 57.234 56.100 -0.115 0.000 0.980 322 R CB -0.832 29.375 30.300 -0.155 0.000 0.875 322 R HN 0.144 nan 8.270 nan 0.000 0.445 323 A N 1.632 124.412 122.820 -0.066 0.000 1.930 323 A HA -0.177 4.142 4.320 -0.000 0.000 0.217 323 A C 2.053 179.673 177.584 0.061 0.000 1.175 323 A CA 1.277 53.352 52.037 0.064 0.000 0.627 323 A CB -0.313 18.742 19.000 0.092 0.000 0.815 323 A HN 0.208 nan 8.150 nan 0.000 0.443 324 K N -0.085 120.300 120.400 -0.026 0.000 2.009 324 K HA -0.142 4.178 4.320 -0.000 0.000 0.210 324 K C 1.802 178.363 176.600 -0.065 0.000 1.049 324 K CA 1.894 58.139 56.287 -0.069 0.000 0.929 324 K CB -0.358 32.069 32.500 -0.123 0.000 0.714 324 K HN 0.495 nan 8.250 nan 0.000 0.440 325 I N 0.592 121.129 120.570 -0.056 0.000 2.286 325 I HA -0.272 3.898 4.170 -0.000 0.000 0.248 325 I C 2.582 178.677 176.117 -0.037 0.000 1.115 325 I CA 0.860 62.133 61.300 -0.044 0.000 1.392 325 I CB -0.183 37.796 38.000 -0.034 0.000 1.065 325 I HN 0.274 nan 8.210 nan 0.000 0.418 326 M N 0.442 120.029 119.600 -0.022 0.000 2.080 326 M HA -0.262 4.217 4.480 -0.000 0.000 0.260 326 M C 2.320 178.578 176.300 -0.070 0.000 1.068 326 M CA 1.891 57.191 55.300 -0.001 0.000 1.109 326 M CB -0.511 32.138 32.600 0.081 0.000 1.342 326 M HN 0.146 nan 8.290 nan 0.000 0.405 327 Q N -0.747 118.949 119.800 -0.175 0.000 2.079 327 Q HA -0.239 4.101 4.340 -0.000 0.000 0.200 327 Q C 2.099 178.016 176.000 -0.140 0.000 0.974 327 Q CA 1.786 57.331 55.803 -0.431 0.000 0.840 327 Q CB -0.084 28.257 28.738 -0.661 0.000 0.898 327 Q HN 0.642 nan 8.270 nan 0.000 0.430 328 Q N -0.720 119.049 119.800 -0.053 0.000 2.077 328 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 328 Q C 2.023 178.030 176.000 0.011 0.000 0.989 328 Q CA 2.166 57.978 55.803 0.015 0.000 0.853 328 Q CB -0.062 28.662 28.738 -0.023 0.000 0.907 328 Q HN 0.386 nan 8.270 nan 0.000 0.418 329 T N 0.015 114.551 114.554 -0.030 0.000 2.788 329 T HA -0.183 4.166 4.350 -0.000 0.000 0.268 329 T C 1.987 176.649 174.700 -0.062 0.000 1.044 329 T CA 1.112 63.194 62.100 -0.030 0.000 1.139 329 T CB -0.442 68.413 68.868 -0.022 0.000 0.867 329 T HN 0.384 nan 8.240 nan 0.000 0.454 330 C N 0.988 120.206 119.300 -0.135 0.000 2.413 330 C HA -0.104 4.356 4.460 -0.000 0.000 0.276 330 C C 2.701 177.544 174.990 -0.245 0.000 1.236 330 C CA 0.383 59.267 59.018 -0.223 0.000 1.735 330 C CB -1.179 26.337 27.740 -0.374 0.000 2.031 330 C HN 0.618 nan 8.230 nan 0.000 0.474 331 H N 0.437 119.460 119.070 -0.078 0.000 2.357 331 H HA -0.079 4.477 4.556 -0.000 0.000 0.301 331 H C 2.152 177.454 175.328 -0.044 0.000 1.082 331 H CA 1.554 57.566 56.048 -0.060 0.000 1.342 331 H CB -0.474 29.245 29.762 -0.072 0.000 1.389 331 H HN 0.655 nan 8.280 nan 0.000 0.511 332 E N 0.300 120.539 120.200 0.066 0.000 2.106 332 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 332 E C 2.438 179.042 176.600 0.006 0.000 0.984 332 E CA 0.878 57.295 56.400 0.028 0.000 0.806 332 E CB 0.146 29.855 29.700 0.015 0.000 0.750 332 E HN 0.102 nan 8.360 nan 0.000 0.458 333 V N 1.267 121.174 119.914 -0.011 0.000 2.323 333 V HA -0.213 3.907 4.120 -0.000 0.000 0.244 333 V C 2.257 178.338 176.094 -0.022 0.000 1.041 333 V CA 1.317 63.606 62.300 -0.018 0.000 1.025 333 V CB -0.355 31.451 31.823 -0.027 0.000 0.656 333 V HN 0.244 nan 8.190 nan 0.000 0.451 334 L N -0.349 120.855 121.223 -0.031 0.000 2.083 334 L HA -0.178 4.161 4.340 -0.000 0.000 0.209 334 L C 2.611 179.476 176.870 -0.008 0.000 1.083 334 L CA 1.868 56.693 54.840 -0.026 0.000 0.752 334 L CB -0.889 41.147 42.059 -0.039 0.000 0.899 334 L HN 0.365 nan 8.230 nan 0.000 0.433 335 T N -0.884 113.673 114.554 0.006 0.000 2.643 335 T HA -0.197 4.152 4.350 -0.000 0.000 0.264 335 T C 1.721 176.420 174.700 -0.001 0.000 1.045 335 T CA 1.248 63.354 62.100 0.010 0.000 1.155 335 T CB -0.195 68.684 68.868 0.020 0.000 0.863 335 T HN 0.339 nan 8.240 nan 0.000 0.420 336 E N 0.615 120.814 120.200 -0.003 0.000 2.233 336 E HA -0.106 4.244 4.350 -0.000 0.000 0.199 336 E C 1.589 178.181 176.600 -0.012 0.000 1.004 336 E CA 0.812 57.208 56.400 -0.007 0.000 0.819 336 E CB -0.233 29.463 29.700 -0.006 0.000 0.738 336 E HN 0.448 nan 8.360 nan 0.000 0.478 337 L N -0.403 120.811 121.223 -0.015 0.000 2.629 337 L HA 0.160 4.500 4.340 -0.000 0.000 0.230 337 L C 1.204 178.063 176.870 -0.019 0.000 1.151 337 L CA 0.125 54.952 54.840 -0.021 0.000 0.924 337 L CB 0.169 42.212 42.059 -0.027 0.000 1.137 337 L HN 0.173 nan 8.230 nan 0.000 0.457 338 G N 1.227 110.019 108.800 -0.013 0.000 2.203 338 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.263 338 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.263 338 G C 0.190 175.084 174.900 -0.010 0.000 1.012 338 G CA 0.037 45.130 45.100 -0.010 0.000 0.749 338 G HN 0.358 nan 8.290 nan 0.000 0.512 339 I N 0.940 121.504 120.570 -0.010 0.000 2.337 339 I HA 0.173 4.342 4.170 -0.000 0.000 0.291 339 I C 1.788 177.904 176.117 -0.002 0.000 1.046 339 I CA -0.151 61.143 61.300 -0.009 0.000 1.324 339 I CB 0.993 38.984 38.000 -0.015 0.000 1.409 339 I HN 0.380 nan 8.210 nan 0.000 0.494 340 K N 4.435 124.835 120.400 -0.000 0.000 1.978 340 K HA -0.101 4.219 4.320 -0.000 0.000 0.214 340 K C 0.126 176.732 176.600 0.011 0.000 1.049 340 K CA 1.198 57.488 56.287 0.005 0.000 0.939 340 K CB -0.040 32.462 32.500 0.002 0.000 0.721 340 K HN 0.549 nan 8.250 nan 0.000 0.441 341 D N -0.838 119.567 120.400 0.008 0.000 2.661 341 D HA 0.225 4.865 4.640 -0.000 0.000 0.228 341 D C -2.074 174.229 176.300 0.006 0.000 1.210 341 D CA -0.761 53.247 54.000 0.013 0.000 0.826 341 D CB 2.006 42.815 40.800 0.015 0.000 1.542 341 D HN 0.214 nan 8.370 nan 0.000 0.447 342 D N 2.778 123.182 120.400 0.007 0.000 2.358 342 D HA 0.279 4.919 4.640 -0.000 0.000 0.253 342 D C -2.026 174.279 176.300 0.008 0.000 1.288 342 D CA -1.987 52.013 54.000 -0.001 0.000 0.950 342 D CB 2.118 42.907 40.800 -0.019 0.000 1.197 342 D HN 0.075 nan 8.370 nan 0.000 0.550 343 P HA -0.135 nan 4.420 nan 0.000 0.216 343 P C 1.603 178.909 177.300 0.010 0.000 1.153 343 P CA 0.453 63.561 63.100 0.012 0.000 0.858 343 P CB 0.525 32.230 31.700 0.008 0.000 0.789 344 L N -1.588 119.636 121.223 0.002 0.000 2.141 344 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 344 L C 2.222 179.090 176.870 -0.003 0.000 1.094 344 L CA 1.417 56.251 54.840 -0.010 0.000 0.763 344 L CB -1.568 40.483 42.059 -0.015 0.000 0.908 344 L HN -0.057 nan 8.230 nan 0.000 0.437 345 L N -0.706 120.524 121.223 0.011 0.000 2.027 345 L HA -0.181 4.159 4.340 -0.000 0.000 0.206 345 L C 2.057 178.982 176.870 0.092 0.000 1.074 345 L CA 1.792 56.658 54.840 0.044 0.000 0.745 345 L CB -0.853 41.194 42.059 -0.020 0.000 0.898 345 L HN 0.252 nan 8.230 nan 0.000 0.433 346 D N -0.390 120.052 120.400 0.070 0.000 2.123 346 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 346 D C 2.190 178.546 176.300 0.092 0.000 0.992 346 D CA 1.637 55.690 54.000 0.087 0.000 0.833 346 D CB -0.251 40.586 40.800 0.061 0.000 0.954 346 D HN 0.344 nan 8.370 nan 0.000 0.455 347 L N 0.786 122.045 121.223 0.060 0.000 2.093 347 L HA -0.022 4.318 4.340 -0.000 0.000 0.208 347 L C 2.130 179.047 176.870 0.079 0.000 1.085 347 L CA 1.575 56.444 54.840 0.048 0.000 0.755 347 L CB -0.665 41.397 42.059 0.005 0.000 0.904 347 L HN -0.038 nan 8.230 nan 0.000 0.435 348 A N -1.144 121.717 122.820 0.069 0.000 1.902 348 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 348 A C 2.229 180.047 177.584 0.389 0.000 1.181 348 A CA 1.916 54.005 52.037 0.087 0.000 0.623 348 A CB -1.068 17.822 19.000 -0.184 0.000 0.818 348 A HN 0.285 nan 8.150 nan 0.000 0.443 349 V N 0.020 120.161 119.914 0.378 0.000 2.407 349 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 349 V C 2.551 178.809 176.094 0.274 0.000 1.055 349 V CA 2.341 64.880 62.300 0.398 0.000 1.049 349 V CB -0.667 31.330 31.823 0.290 0.000 0.662 349 V HN 0.681 nan 8.190 nan 0.000 0.455 350 E N 0.184 120.501 120.200 0.194 0.000 2.152 350 E HA -0.162 4.188 4.350 -0.000 0.000 0.192 350 E C 1.857 178.530 176.600 0.122 0.000 0.983 350 E CA 0.822 57.302 56.400 0.133 0.000 0.818 350 E CB -0.272 29.484 29.700 0.093 0.000 0.758 350 E HN 0.445 nan 8.360 nan 0.000 0.467 351 L N 0.963 122.282 121.223 0.159 0.000 2.072 351 L HA -0.034 4.306 4.340 -0.000 0.000 0.205 351 L C 2.177 179.081 176.870 0.056 0.000 1.079 351 L CA 2.127 57.033 54.840 0.111 0.000 0.752 351 L CB -0.633 41.535 42.059 0.181 0.000 0.906 351 L HN 0.251 nan 8.230 nan 0.000 0.436 352 E N -0.349 119.981 120.200 0.217 0.000 2.077 352 E HA -0.309 4.041 4.350 -0.000 0.000 0.193 352 E C 2.251 178.933 176.600 0.137 0.000 0.989 352 E CA 1.506 58.029 56.400 0.205 0.000 0.800 352 E CB -0.165 29.732 29.700 0.328 0.000 0.746 352 E HN 0.523 nan 8.360 nan 0.000 0.452 353 K N 0.406 120.889 120.400 0.139 0.000 1.991 353 K HA -0.191 4.129 4.320 -0.000 0.000 0.212 353 K C 2.235 178.858 176.600 0.038 0.000 1.049 353 K CA 1.909 58.257 56.287 0.102 0.000 0.932 353 K CB -0.238 32.322 32.500 0.101 0.000 0.717 353 K HN 0.180 nan 8.250 nan 0.000 0.441 354 I N 0.899 121.472 120.570 0.004 0.000 2.163 354 I HA -0.290 3.880 4.170 -0.000 0.000 0.243 354 I C 2.505 178.550 176.117 -0.119 0.000 1.085 354 I CA 1.393 62.674 61.300 -0.031 0.000 1.347 354 I CB -0.330 37.658 38.000 -0.020 0.000 1.044 354 I HN 0.306 nan 8.210 nan 0.000 0.408 355 A N 0.612 123.243 122.820 -0.314 0.000 1.902 355 A HA -0.149 4.170 4.320 -0.000 0.000 0.217 355 A C 2.284 179.644 177.584 -0.374 0.000 1.181 355 A CA 1.360 52.958 52.037 -0.732 0.000 0.623 355 A CB -0.879 17.202 19.000 -1.533 0.000 0.818 355 A HN 0.403 nan 8.150 nan 0.000 0.443 356 L N 0.463 121.599 121.223 -0.144 0.000 2.265 356 L HA -0.124 4.216 4.340 -0.000 0.000 0.215 356 L C 2.382 179.260 176.870 0.013 0.000 1.117 356 L CA 1.451 56.276 54.840 -0.026 0.000 0.782 356 L CB -0.291 41.804 42.059 0.061 0.000 0.914 356 L HN 0.605 nan 8.230 nan 0.000 0.441 357 S N -2.978 112.738 115.700 0.026 0.000 2.577 357 S HA 0.036 4.506 4.470 -0.000 0.000 0.219 357 S C 0.458 175.102 174.600 0.072 0.000 0.962 357 S CA -0.561 57.669 58.200 0.051 0.000 0.921 357 S CB -0.143 63.087 63.200 0.050 0.000 0.789 357 S HN 0.242 nan 8.310 nan 0.000 0.497 358 D N 1.579 122.048 120.400 0.114 0.000 2.198 358 D HA 0.179 4.819 4.640 -0.000 0.000 0.245 358 D C 0.259 176.692 176.300 0.223 0.000 1.079 358 D CA -0.144 53.974 54.000 0.196 0.000 0.854 358 D CB 1.765 42.758 40.800 0.323 0.000 1.148 358 D HN 0.032 nan 8.370 nan 0.000 0.456 359 D N 2.568 123.053 120.400 0.142 0.000 2.182 359 D HA -0.265 4.375 4.640 -0.000 0.000 0.201 359 D C 1.591 177.930 176.300 0.065 0.000 0.986 359 D CA 1.187 55.240 54.000 0.088 0.000 0.847 359 D CB -0.137 40.697 40.800 0.057 0.000 0.942 359 D HN 0.569 nan 8.370 nan 0.000 0.467 360 Y N -0.287 119.978 120.300 -0.059 0.000 2.128 360 Y HA -0.236 4.314 4.550 -0.000 0.000 0.284 360 Y C 1.660 177.360 175.900 -0.333 0.000 1.154 360 Y CA 1.819 59.764 58.100 -0.259 0.000 1.149 360 Y CB -0.473 37.712 38.460 -0.458 0.000 0.976 360 Y HN -0.023 nan 8.280 nan 0.000 0.505 361 F N -1.208 118.769 119.950 0.045 0.000 2.206 361 F HA -0.126 4.401 4.527 -0.000 0.000 0.298 361 F C 2.315 178.018 175.800 -0.162 0.000 1.090 361 F CA 1.131 59.092 58.000 -0.065 0.000 1.323 361 F CB -1.002 37.999 39.000 0.002 0.000 1.028 361 F HN -0.122 nan 8.300 nan 0.000 0.492 362 V N -0.196 119.739 119.914 0.035 0.000 2.261 362 V HA -0.270 3.850 4.120 -0.000 0.000 0.246 362 V C 2.442 178.502 176.094 -0.057 0.000 1.047 362 V CA 1.650 63.926 62.300 -0.039 0.000 1.015 362 V CB -0.669 31.157 31.823 0.004 0.000 0.642 362 V HN 0.270 nan 8.190 nan 0.000 0.446 363 Q N 0.021 119.774 119.800 -0.080 0.000 2.181 363 Q HA -0.149 4.190 4.340 -0.000 0.000 0.205 363 Q C 2.254 178.178 176.000 -0.125 0.000 0.980 363 Q CA 1.458 57.203 55.803 -0.096 0.000 0.862 363 Q CB -0.353 28.315 28.738 -0.118 0.000 0.905 363 Q HN 0.598 nan 8.270 nan 0.000 0.429 364 R N 0.323 120.704 120.500 -0.197 0.000 2.317 364 R HA 0.096 4.436 4.340 -0.000 0.000 0.208 364 R C -0.012 176.256 176.300 -0.054 0.000 0.914 364 R CA -0.105 55.886 56.100 -0.183 0.000 1.060 364 R CB 0.340 30.420 30.300 -0.367 0.000 1.015 364 R HN 0.081 nan 8.270 nan 0.000 0.498 365 K N 1.072 121.458 120.400 -0.023 0.000 3.148 365 K HA -0.182 4.138 4.320 -0.000 0.000 0.267 365 K C -0.931 175.760 176.600 0.151 0.000 0.996 365 K CA 0.604 56.950 56.287 0.098 0.000 0.737 365 K CB -1.688 30.918 32.500 0.177 0.000 1.308 365 K HN 0.268 nan 8.250 nan 0.000 0.470 366 L N 1.296 122.522 121.223 0.006 0.000 2.275 366 L HA 0.482 4.822 4.340 -0.000 0.000 0.288 366 L C 0.045 176.876 176.870 -0.065 0.000 1.046 366 L CA -0.737 54.204 54.840 0.169 0.000 0.805 366 L CB 0.411 42.692 42.059 0.371 0.000 1.193 366 L HN 0.003 nan 8.230 nan 0.000 0.426 367 Y N 2.323 122.529 120.300 -0.158 0.000 2.634 367 Y HA 0.501 5.051 4.550 -0.000 0.000 0.340 367 Y C -2.332 172.861 175.900 -1.177 0.000 1.058 367 Y CA -2.827 54.878 58.100 -0.660 0.000 1.081 367 Y CB 1.107 39.202 38.460 -0.609 0.000 1.295 367 Y HN 0.391 nan 8.280 nan 0.000 0.487 368 P HA 0.067 nan 4.420 nan 0.000 0.268 368 P C -1.089 176.019 177.300 -0.319 0.000 1.205 368 P CA 0.087 62.577 63.100 -1.018 0.000 0.771 368 P CB 0.435 31.769 31.700 -0.610 0.000 0.858 369 N N 0.583 119.228 118.700 -0.092 0.000 2.741 369 N HA 0.185 4.925 4.740 -0.000 0.000 0.310 369 N C 0.769 176.336 175.510 0.096 0.000 1.295 369 N CA -0.915 52.172 53.050 0.062 0.000 0.893 369 N CB -0.364 38.274 38.487 0.252 0.000 1.247 369 N HN 0.045 nan 8.380 nan 0.000 0.596 370 V N -0.266 119.689 119.914 0.068 0.000 2.453 370 V HA -0.237 3.883 4.120 -0.000 0.000 0.252 370 V C 0.577 176.719 176.094 0.081 0.000 1.068 370 V CA 2.190 64.488 62.300 -0.003 0.000 1.070 370 V CB -0.754 30.967 31.823 -0.170 0.000 0.664 370 V HN 0.619 nan 8.190 nan 0.000 0.461 371 D N -1.241 119.270 120.400 0.185 0.000 2.347 371 D HA -0.073 4.566 4.640 -0.000 0.000 0.213 371 D C 1.721 178.128 176.300 0.179 0.000 0.985 371 D CA 0.615 54.743 54.000 0.214 0.000 0.879 371 D CB -0.005 40.976 40.800 0.300 0.000 0.919 371 D HN 0.566 nan 8.370 nan 0.000 0.526 372 F N 0.295 120.243 119.950 -0.003 0.000 2.186 372 F HA -0.175 4.352 4.527 -0.000 0.000 0.299 372 F C 1.390 176.999 175.800 -0.318 0.000 1.090 372 F CA 1.337 59.238 58.000 -0.164 0.000 1.307 372 F CB -0.042 38.781 39.000 -0.295 0.000 1.019 372 F HN -0.068 nan 8.300 nan 0.000 0.489 373 Y N -1.315 119.025 120.300 0.066 0.000 2.445 373 Y HA 0.063 4.612 4.550 -0.000 0.000 0.247 373 Y C 2.446 178.294 175.900 -0.087 0.000 1.129 373 Y CA 0.282 58.352 58.100 -0.051 0.000 1.251 373 Y CB -0.203 38.270 38.460 0.023 0.000 1.176 373 Y HN 0.023 nan 8.280 nan 0.000 0.522 374 S N -0.402 115.328 115.700 0.049 0.000 2.356 374 S HA -0.168 4.302 4.470 -0.000 0.000 0.223 374 S C 2.331 176.774 174.600 -0.262 0.000 1.032 374 S CA 1.295 59.466 58.200 -0.049 0.000 1.005 374 S CB -1.177 62.030 63.200 0.012 0.000 0.867 374 S HN 0.446 nan 8.310 nan 0.000 0.449 375 G N 1.896 110.493 108.800 -0.339 0.000 2.442 375 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.219 375 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.219 375 G C 1.400 176.105 174.900 -0.326 0.000 1.141 375 G CA 1.048 45.752 45.100 -0.660 0.000 0.763 375 G HN 0.571 nan 8.290 nan 0.000 0.554 376 I N 0.697 121.188 120.570 -0.132 0.000 2.179 376 I HA -0.166 4.004 4.170 -0.000 0.000 0.242 376 I C 2.662 178.733 176.117 -0.077 0.000 1.088 376 I CA 0.959 62.225 61.300 -0.056 0.000 1.357 376 I CB -0.188 37.802 38.000 -0.015 0.000 1.051 376 I HN 0.177 nan 8.210 nan 0.000 0.409 377 I N 0.237 120.746 120.570 -0.101 0.000 2.202 377 I HA -0.282 3.888 4.170 -0.000 0.000 0.242 377 I C 2.456 178.512 176.117 -0.102 0.000 1.091 377 I CA 1.376 62.623 61.300 -0.089 0.000 1.368 377 I CB -0.530 37.427 38.000 -0.073 0.000 1.058 377 I HN 0.188 nan 8.210 nan 0.000 0.410 378 L N 0.905 122.004 121.223 -0.206 0.000 2.043 378 L HA -0.259 4.081 4.340 -0.000 0.000 0.212 378 L C 2.727 179.596 176.870 -0.002 0.000 1.075 378 L CA 1.661 56.383 54.840 -0.197 0.000 0.752 378 L CB -0.681 41.025 42.059 -0.588 0.000 0.891 378 L HN 0.296 nan 8.230 nan 0.000 0.432 379 K N 0.408 120.838 120.400 0.049 0.000 2.057 379 K HA -0.160 4.160 4.320 -0.000 0.000 0.206 379 K C 2.079 178.712 176.600 0.055 0.000 1.050 379 K CA 1.274 57.665 56.287 0.173 0.000 0.935 379 K CB -0.053 32.574 32.500 0.210 0.000 0.715 379 K HN 0.270 nan 8.250 nan 0.000 0.439 380 A N 0.704 123.528 122.820 0.006 0.000 2.067 380 A HA -0.085 4.235 4.320 -0.000 0.000 0.219 380 A C 1.802 179.364 177.584 -0.037 0.000 1.158 380 A CA 1.174 53.199 52.037 -0.020 0.000 0.661 380 A CB -0.326 18.654 19.000 -0.034 0.000 0.801 380 A HN 0.354 nan 8.150 nan 0.000 0.452 381 M N -1.576 118.006 119.600 -0.029 0.000 2.495 381 M HA 0.205 4.685 4.480 -0.000 0.000 0.237 381 M C 1.333 177.563 176.300 -0.117 0.000 1.131 381 M CA 0.792 56.065 55.300 -0.045 0.000 1.032 381 M CB 0.410 33.013 32.600 0.004 0.000 1.513 381 M HN 0.573 nan 8.290 nan 0.000 0.488 382 G N 1.435 110.180 108.800 -0.092 0.000 2.175 382 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.244 382 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.244 382 G C 0.045 174.963 174.900 0.030 0.000 0.982 382 G CA -0.472 44.520 45.100 -0.180 0.000 0.641 382 G HN 0.414 nan 8.290 nan 0.000 0.527 383 I N 3.674 124.355 120.570 0.186 0.000 2.416 383 I HA 0.322 4.492 4.170 -0.000 0.000 0.288 383 I C -1.151 175.096 176.117 0.216 0.000 1.051 383 I CA -2.107 59.331 61.300 0.231 0.000 1.375 383 I CB 1.026 39.155 38.000 0.215 0.000 1.407 383 I HN -0.046 nan 8.210 nan 0.000 0.516 384 P HA 0.042 nan 4.420 nan 0.000 0.274 384 P C 0.715 177.770 177.300 -0.409 0.000 1.237 384 P CA -0.293 62.765 63.100 -0.070 0.000 0.793 384 P CB 0.684 32.387 31.700 0.005 0.000 0.977 385 T N -2.369 111.744 114.554 -0.735 0.000 2.881 385 T HA -0.148 4.202 4.350 -0.000 0.000 0.270 385 T C 1.709 175.989 174.700 -0.701 0.000 1.068 385 T CA 1.641 62.881 62.100 -1.433 0.000 1.131 385 T CB -1.224 67.170 68.868 -0.790 0.000 0.871 385 T HN 0.482 nan 8.240 nan 0.000 0.479 386 S N 0.563 116.049 115.700 -0.355 0.000 2.507 386 S HA 0.095 4.565 4.470 -0.000 0.000 0.235 386 S C 1.748 176.224 174.600 -0.206 0.000 0.988 386 S CA 0.362 58.400 58.200 -0.270 0.000 0.944 386 S CB -0.444 62.623 63.200 -0.223 0.000 0.762 386 S HN 0.366 nan 8.310 nan 0.000 0.526 387 M N -0.109 119.418 119.600 -0.121 0.000 2.313 387 M HA 0.370 4.850 4.480 -0.000 0.000 0.273 387 M C 0.499 176.932 176.300 0.221 0.000 1.049 387 M CA -0.146 55.163 55.300 0.015 0.000 1.004 387 M CB -0.691 31.866 32.600 -0.071 0.000 1.461 387 M HN 0.213 nan 8.290 nan 0.000 0.514 388 F N 1.416 121.392 119.950 0.042 0.000 2.069 388 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 388 F C 2.452 178.321 175.800 0.115 0.000 1.113 388 F CA 1.471 59.512 58.000 0.068 0.000 1.214 388 F CB -1.799 37.258 39.000 0.096 0.000 0.978 388 F HN 0.160 nan 8.300 nan 0.000 0.474 389 T N -0.282 114.491 114.554 0.366 0.000 2.951 389 T HA -0.055 4.294 4.350 -0.000 0.000 0.268 389 T C 2.336 177.148 174.700 0.186 0.000 1.073 389 T CA 0.833 63.108 62.100 0.291 0.000 1.134 389 T CB -0.503 68.526 68.868 0.268 0.000 0.884 389 T HN 0.029 nan 8.240 nan 0.000 0.479 390 V N 1.645 121.644 119.914 0.142 0.000 2.427 390 V HA -0.078 4.041 4.120 -0.000 0.000 0.248 390 V C 2.363 178.510 176.094 0.088 0.000 1.051 390 V CA 1.035 63.384 62.300 0.082 0.000 1.048 390 V CB -0.555 31.304 31.823 0.060 0.000 0.666 390 V HN 0.329 nan 8.190 nan 0.000 0.456 391 L N -0.607 120.690 121.223 0.124 0.000 2.083 391 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 391 L C 2.130 178.987 176.870 -0.023 0.000 1.083 391 L CA 1.926 56.808 54.840 0.070 0.000 0.752 391 L CB -1.142 40.966 42.059 0.081 0.000 0.899 391 L HN 0.326 nan 8.230 nan 0.000 0.433 392 F N 0.594 120.437 119.950 -0.178 0.000 2.102 392 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 392 F C 2.405 178.087 175.800 -0.197 0.000 1.105 392 F CA 1.313 59.178 58.000 -0.224 0.000 1.239 392 F CB -1.002 37.943 39.000 -0.093 0.000 0.991 392 F HN 0.174 nan 8.300 nan 0.000 0.474 393 A N -0.342 122.529 122.820 0.086 0.000 1.902 393 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 393 A C 2.421 179.921 177.584 -0.139 0.000 1.181 393 A CA 1.968 53.963 52.037 -0.070 0.000 0.623 393 A CB -1.360 17.702 19.000 0.103 0.000 0.818 393 A HN 0.243 nan 8.150 nan 0.000 0.443 394 V N -0.209 119.634 119.914 -0.118 0.000 2.287 394 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 394 V C 3.056 179.064 176.094 -0.144 0.000 1.053 394 V CA 2.116 64.291 62.300 -0.208 0.000 1.027 394 V CB -1.235 30.296 31.823 -0.487 0.000 0.646 394 V HN 0.636 nan 8.190 nan 0.000 0.447 395 A N 0.180 122.932 122.820 -0.113 0.000 1.873 395 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 395 A C 2.284 179.885 177.584 0.029 0.000 1.186 395 A CA 1.937 53.994 52.037 0.034 0.000 0.616 395 A CB -0.537 18.500 19.000 0.063 0.000 0.823 395 A HN 0.427 nan 8.150 nan 0.000 0.442 396 R N 0.019 120.431 120.500 -0.148 0.000 2.237 396 R HA -0.031 4.309 4.340 -0.000 0.000 0.219 396 R C 1.771 177.589 176.300 -0.803 0.000 1.080 396 R CA 1.814 57.621 56.100 -0.488 0.000 0.995 396 R CB -1.438 28.441 30.300 -0.702 0.000 0.875 396 R HN 0.463 nan 8.270 nan 0.000 0.462 397 T N -0.476 113.783 114.554 -0.492 0.000 2.803 397 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 397 T C 1.455 176.150 174.700 -0.009 0.000 1.052 397 T CA 1.929 63.971 62.100 -0.096 0.000 1.136 397 T CB -0.259 68.639 68.868 0.051 0.000 0.864 397 T HN 0.350 nan 8.240 nan 0.000 0.467 398 T N 0.951 115.481 114.554 -0.041 0.000 2.708 398 T HA -0.055 4.295 4.350 -0.000 0.000 0.266 398 T C 2.230 176.917 174.700 -0.022 0.000 1.037 398 T CA 1.411 63.500 62.100 -0.019 0.000 1.146 398 T CB -0.794 68.045 68.868 -0.048 0.000 0.865 398 T HN 0.521 nan 8.240 nan 0.000 0.435 399 G N 0.273 109.028 108.800 -0.076 0.000 2.418 399 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.217 399 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.217 399 G C 1.354 176.338 174.900 0.140 0.000 1.158 399 G CA 0.481 45.571 45.100 -0.016 0.000 0.771 399 G HN 0.412 nan 8.290 nan 0.000 0.545 400 W N 1.040 122.381 121.300 0.069 0.000 2.333 400 W HA -0.139 4.521 4.660 -0.000 0.000 0.316 400 W C 2.875 179.445 176.519 0.084 0.000 1.215 400 W CA 1.829 59.213 57.345 0.064 0.000 1.278 400 W CB -1.392 28.081 29.460 0.023 0.000 1.154 400 W HN 0.213 nan 8.180 nan 0.000 0.486 401 V N -1.690 118.395 119.914 0.286 0.000 2.515 401 V HA -0.186 3.934 4.120 -0.000 0.000 0.250 401 V C 2.029 178.282 176.094 0.265 0.000 1.058 401 V CA 2.252 64.694 62.300 0.238 0.000 1.064 401 V CB -1.177 30.698 31.823 0.086 0.000 0.675 401 V HN -0.014 nan 8.190 nan 0.000 0.461 402 S N 0.064 115.859 115.700 0.159 0.000 2.368 402 S HA -0.173 4.297 4.470 -0.000 0.000 0.225 402 S C 2.066 176.725 174.600 0.097 0.000 1.030 402 S CA 1.748 60.003 58.200 0.091 0.000 0.999 402 S CB -0.401 62.818 63.200 0.031 0.000 0.844 402 S HN 0.691 nan 8.310 nan 0.000 0.459 403 Q N -0.359 119.529 119.800 0.147 0.000 2.079 403 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 403 Q C 1.922 177.995 176.000 0.122 0.000 0.974 403 Q CA 1.153 57.033 55.803 0.127 0.000 0.840 403 Q CB -0.413 28.430 28.738 0.176 0.000 0.898 403 Q HN 0.765 nan 8.270 nan 0.000 0.430 404 W N 2.463 123.779 121.300 0.027 0.000 2.355 404 W HA -0.203 4.457 4.660 -0.000 0.000 0.309 404 W C 2.263 178.772 176.519 -0.016 0.000 1.206 404 W CA 1.867 59.209 57.345 -0.004 0.000 1.284 404 W CB -0.215 29.234 29.460 -0.017 0.000 1.145 404 W HN 0.032 nan 8.180 nan 0.000 0.502 405 K N 0.513 120.811 120.400 -0.170 0.000 2.032 405 K HA -0.312 4.008 4.320 -0.000 0.000 0.209 405 K C 2.160 178.543 176.600 -0.361 0.000 1.048 405 K CA 2.162 58.186 56.287 -0.437 0.000 0.927 405 K CB -0.670 31.774 32.500 -0.093 0.000 0.712 405 K HN 0.357 nan 8.250 nan 0.000 0.441 406 E N 0.223 120.312 120.200 -0.185 0.000 2.058 406 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 406 E C 2.138 178.634 176.600 -0.173 0.000 0.997 406 E CA 1.308 57.623 56.400 -0.141 0.000 0.801 406 E CB -0.092 29.567 29.700 -0.068 0.000 0.746 406 E HN 0.301 nan 8.360 nan 0.000 0.450 407 M N 0.817 120.305 119.600 -0.186 0.000 2.065 407 M HA -0.171 4.309 4.480 -0.000 0.000 0.259 407 M C 2.224 178.378 176.300 -0.243 0.000 1.069 407 M CA 1.399 56.595 55.300 -0.174 0.000 1.110 407 M CB -0.520 32.003 32.600 -0.128 0.000 1.328 407 M HN 0.277 nan 8.290 nan 0.000 0.405 408 I N 0.950 121.260 120.570 -0.434 0.000 2.614 408 I HA -0.181 3.988 4.170 -0.000 0.000 0.258 408 I C 1.789 177.723 176.117 -0.304 0.000 1.189 408 I CA 1.359 62.401 61.300 -0.430 0.000 1.462 408 I CB -0.293 37.241 38.000 -0.776 0.000 1.092 408 I HN 0.394 nan 8.210 nan 0.000 0.442 409 E N -0.076 119.953 120.200 -0.285 0.000 2.478 409 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 409 E C 0.282 176.806 176.600 -0.127 0.000 1.045 409 E CA -0.047 56.240 56.400 -0.189 0.000 0.868 409 E CB 0.086 29.679 29.700 -0.179 0.000 0.885 409 E HN 0.530 nan 8.360 nan 0.000 0.505 410 E N 2.380 122.507 120.200 -0.122 0.000 2.366 410 E HA 0.069 4.419 4.350 -0.000 0.000 0.266 410 E C -2.374 174.185 176.600 -0.069 0.000 1.015 410 E CA -1.767 54.583 56.400 -0.084 0.000 0.906 410 E CB 0.466 30.121 29.700 -0.076 0.000 0.979 410 E HN -0.035 nan 8.360 nan 0.000 0.443 411 P HA 0.010 nan 4.420 nan 0.000 0.268 411 P C 0.365 177.642 177.300 -0.037 0.000 1.204 411 P CA 0.461 63.535 63.100 -0.042 0.000 0.768 411 P CB 0.616 32.296 31.700 -0.034 0.000 0.842 412 G N 0.947 109.728 108.800 -0.032 0.000 2.176 412 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 412 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 412 G C 0.181 175.063 174.900 -0.031 0.000 1.024 412 G CA -0.314 44.770 45.100 -0.027 0.000 0.755 412 G HN 0.706 nan 8.290 nan 0.000 0.507 413 Q N 0.178 119.953 119.800 -0.041 0.000 2.332 413 Q HA 0.451 4.791 4.340 -0.000 0.000 0.263 413 Q C 0.426 176.406 176.000 -0.034 0.000 0.979 413 Q CA 0.296 56.071 55.803 -0.046 0.000 0.885 413 Q CB 0.432 29.129 28.738 -0.068 0.000 1.218 413 Q HN 0.633 nan 8.270 nan 0.000 0.405 414 R N 2.743 123.225 120.500 -0.030 0.000 2.888 414 R HA 0.509 4.849 4.340 -0.000 0.000 0.266 414 R C -0.155 176.133 176.300 -0.020 0.000 1.020 414 R CA -0.959 55.129 56.100 -0.021 0.000 0.963 414 R CB 1.565 31.855 30.300 -0.017 0.000 1.197 414 R HN 0.726 nan 8.270 nan 0.000 0.481 415 I N 0.741 121.303 120.570 -0.014 0.000 2.754 415 I HA -0.016 4.154 4.170 -0.000 0.000 0.285 415 I C -0.325 175.780 176.117 -0.019 0.000 1.166 415 I CA 0.615 61.908 61.300 -0.012 0.000 1.417 415 I CB 0.928 38.924 38.000 -0.006 0.000 1.382 415 I HN 0.495 nan 8.210 nan 0.000 0.588 416 S N 7.251 122.938 115.700 -0.022 0.000 2.430 416 S HA 0.413 4.883 4.470 -0.000 0.000 0.289 416 S C -0.241 174.346 174.600 -0.023 0.000 1.143 416 S CA -0.519 57.661 58.200 -0.033 0.000 1.067 416 S CB 0.254 63.424 63.200 -0.050 0.000 0.964 416 S HN 0.424 nan 8.310 nan 0.000 0.485 417 R N 4.209 124.696 120.500 -0.023 0.000 2.921 417 R HA 0.285 4.624 4.340 -0.000 0.000 0.269 417 R C -2.741 173.538 176.300 -0.035 0.000 1.696 417 R CA -1.323 54.764 56.100 -0.021 0.000 1.161 417 R CB 0.619 30.905 30.300 -0.023 0.000 1.337 417 R HN 0.508 nan 8.270 nan 0.000 0.496 418 P HA 0.479 nan 4.420 nan 0.000 0.289 418 P C -0.395 176.838 177.300 -0.112 0.000 1.299 418 P CA -0.579 62.500 63.100 -0.035 0.000 0.766 418 P CB 1.193 32.937 31.700 0.074 0.000 1.226 419 R N -0.996 119.387 120.500 -0.196 0.000 3.024 419 R HA 0.503 4.843 4.340 -0.000 0.000 0.224 419 R C 0.300 176.549 176.300 -0.085 0.000 1.490 419 R CA -0.515 55.427 56.100 -0.263 0.000 1.057 419 R CB 0.255 30.083 30.300 -0.787 0.000 1.723 419 R HN 0.771 nan 8.270 nan 0.000 0.520 420 Q N -0.480 119.331 119.800 0.019 0.000 2.648 420 Q HA 0.567 4.907 4.340 -0.000 0.000 0.300 420 Q C -1.501 174.645 176.000 0.243 0.000 0.954 420 Q CA -1.013 54.868 55.803 0.129 0.000 0.757 420 Q CB 1.305 30.118 28.738 0.124 0.000 1.482 420 Q HN 0.228 nan 8.270 nan 0.000 0.437 421 L N 1.811 123.190 121.223 0.259 0.000 2.294 421 L HA 0.434 4.774 4.340 -0.000 0.000 0.283 421 L C -1.726 175.255 176.870 0.184 0.000 1.015 421 L CA -0.545 54.426 54.840 0.219 0.000 0.831 421 L CB 0.977 43.116 42.059 0.134 0.000 1.217 421 L HN 0.681 nan 8.230 nan 0.000 0.420 422 Y N 6.469 126.815 120.300 0.077 0.000 2.436 422 Y HA 0.423 4.973 4.550 -0.000 0.000 0.343 422 Y C 0.787 176.702 175.900 0.026 0.000 1.008 422 Y CA -0.428 57.702 58.100 0.051 0.000 1.241 422 Y CB 0.718 39.209 38.460 0.051 0.000 1.153 422 Y HN 0.639 nan 8.280 nan 0.000 0.521 423 I N 3.580 123.811 120.570 -0.564 0.000 3.491 423 I HA 0.577 4.747 4.170 -0.000 0.000 0.332 423 I C 0.640 176.399 176.117 -0.597 0.000 1.565 423 I CA -0.405 60.621 61.300 -0.458 0.000 1.050 423 I CB 0.031 37.902 38.000 -0.215 0.000 1.348 423 I HN 0.656 nan 8.210 nan 0.000 0.506 424 G N 1.204 109.261 108.800 -1.240 0.000 2.574 424 G HA2 0.707 4.667 3.960 -0.000 0.000 0.248 424 G HA3 0.707 4.667 3.960 -0.000 0.000 0.248 424 G C -0.104 174.636 174.900 -0.267 0.000 1.422 424 G CA -0.267 44.431 45.100 -0.669 0.000 1.051 424 G HN 0.441 nan 8.290 nan 0.000 0.560 425 A N 0.549 123.382 122.820 0.020 0.000 2.407 425 A HA 0.583 4.903 4.320 -0.000 0.000 0.248 425 A C -1.358 176.346 177.584 0.200 0.000 1.082 425 A CA -0.708 51.384 52.037 0.092 0.000 0.785 425 A CB -0.198 18.852 19.000 0.083 0.000 1.020 425 A HN 0.531 nan 8.150 nan 0.000 0.489 426 P HA 0.132 nan 4.420 nan 0.000 0.277 426 P C -0.465 176.892 177.300 0.095 0.000 1.271 426 P CA -0.557 62.619 63.100 0.127 0.000 0.795 426 P CB 0.375 32.120 31.700 0.075 0.000 1.101 427 Q N 0.568 120.408 119.800 0.066 0.000 2.330 427 Q HA 0.067 4.406 4.340 -0.000 0.000 0.279 427 Q C -0.064 175.962 176.000 0.042 0.000 1.024 427 Q CA 0.309 56.139 55.803 0.045 0.000 0.900 427 Q CB 0.310 29.064 28.738 0.027 0.000 1.221 427 Q HN 0.382 nan 8.270 nan 0.000 0.396 428 R N 1.709 122.235 120.500 0.044 0.000 2.707 428 R HA 0.462 4.802 4.340 -0.000 0.000 0.272 428 R C -1.489 174.841 176.300 0.050 0.000 1.011 428 R CA -1.057 55.067 56.100 0.039 0.000 0.893 428 R CB 0.974 31.294 30.300 0.034 0.000 1.233 428 R HN 0.379 nan 8.270 nan 0.000 0.464 429 D N 1.464 121.893 120.400 0.047 0.000 2.304 429 D HA 0.056 4.695 4.640 -0.000 0.000 0.247 429 D C -0.595 175.761 176.300 0.095 0.000 1.089 429 D CA -0.104 53.941 54.000 0.074 0.000 0.910 429 D CB 0.674 41.510 40.800 0.061 0.000 1.199 429 D HN 0.408 nan 8.370 nan 0.000 0.426 430 Y N 1.294 121.598 120.300 0.007 0.000 2.702 430 Y HA 0.142 4.691 4.550 -0.000 0.000 0.336 430 Y C -0.543 175.361 175.900 0.007 0.000 1.235 430 Y CA 0.255 58.360 58.100 0.007 0.000 1.492 430 Y CB 0.480 38.943 38.460 0.006 0.000 1.308 430 Y HN 0.028 nan 8.280 nan 0.000 0.589 431 V N 8.693 128.190 119.914 -0.695 0.000 2.409 431 V HA 0.320 4.439 4.120 -0.000 0.000 0.291 431 V C -2.150 173.530 176.094 -0.691 0.000 1.020 431 V CA -2.180 59.833 62.300 -0.480 0.000 0.848 431 V CB 1.389 33.050 31.823 -0.270 0.000 0.990 431 V HN 0.741 nan 8.190 nan 0.000 0.430 432 P HA 0.074 nan 4.420 nan 0.000 0.266 432 P C 1.217 178.447 177.300 -0.118 0.000 1.193 432 P CA 0.089 63.135 63.100 -0.090 0.000 0.770 432 P CB 0.728 32.445 31.700 0.029 0.000 0.836 433 L N 2.527 123.723 121.223 -0.044 0.000 2.010 433 L HA -0.343 3.997 4.340 -0.000 0.000 0.219 433 L C 2.059 178.909 176.870 -0.033 0.000 1.077 433 L CA 2.502 57.321 54.840 -0.034 0.000 0.773 433 L CB -0.846 41.220 42.059 0.011 0.000 0.892 433 L HN 0.451 nan 8.230 nan 0.000 0.436 434 A N -0.615 122.195 122.820 -0.017 0.000 1.972 434 A HA -0.227 4.092 4.320 -0.000 0.000 0.219 434 A C 2.079 179.649 177.584 -0.023 0.000 1.169 434 A CA 1.672 53.701 52.037 -0.014 0.000 0.635 434 A CB -0.309 18.689 19.000 -0.003 0.000 0.810 434 A HN 0.446 nan 8.150 nan 0.000 0.446 435 K N -0.555 119.824 120.400 -0.036 0.000 2.444 435 K HA 0.101 4.421 4.320 -0.000 0.000 0.193 435 K C 0.693 177.261 176.600 -0.054 0.000 1.024 435 K CA -0.104 56.159 56.287 -0.041 0.000 1.077 435 K CB 0.198 32.672 32.500 -0.043 0.000 0.833 435 K HN 0.419 nan 8.250 nan 0.000 0.517 436 R N 0.000 120.463 120.500 -0.062 0.000 2.786 436 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 436 R CA 0.000 56.062 56.100 -0.063 0.000 0.921 436 R CB 0.000 30.255 30.300 -0.075 0.000 0.687 436 R HN 0.000 nan 8.270 nan 0.000 0.535