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 2uwu_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE HGM VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.606 177.584 0.036 0.000 1.274 1 A CA 0.000 52.051 52.037 0.024 0.000 0.836 1 A CB 0.000 19.016 19.000 0.027 0.000 0.831 2 E N 1.117 121.337 120.200 0.033 0.000 2.283 2 E HA 0.442 4.792 4.350 0.000 0.000 0.271 2 E C -0.566 176.086 176.600 0.087 0.000 1.031 2 E CA -0.794 55.637 56.400 0.052 0.000 0.868 2 E CB 1.236 30.949 29.700 0.022 0.000 1.094 2 E HN 0.656 nan 8.360 nan 0.000 0.401 3 Y N 1.827 122.121 120.300 -0.011 0.000 2.620 3 Y HA -0.071 4.479 4.550 0.000 0.000 0.330 3 Y C 0.486 176.373 175.900 -0.021 0.000 1.186 3 Y CA 0.384 58.481 58.100 -0.006 0.000 1.467 3 Y CB 0.571 39.029 38.460 -0.003 0.000 1.262 3 Y HN 0.452 nan 8.280 nan 0.000 0.550 4 Q N 3.880 123.321 119.800 -0.599 0.000 2.217 4 Q HA 0.027 4.367 4.340 0.000 0.000 0.217 4 Q C 0.353 175.926 176.000 -0.713 0.000 0.844 4 Q CA 0.292 55.784 55.803 -0.519 0.000 0.957 4 Q CB -0.009 28.576 28.738 -0.254 0.000 1.127 4 Q HN 0.902 nan 8.270 nan 0.000 0.503 5 N N 0.390 118.267 118.700 -1.373 0.000 2.741 5 N HA -0.170 4.570 4.740 0.000 0.000 0.250 5 N C 0.422 175.712 175.510 -0.367 0.000 1.115 5 N CA 0.390 52.967 53.050 -0.788 0.000 0.724 5 N CB -0.849 37.360 38.487 -0.463 0.000 1.090 5 N HN 0.202 nan 8.380 nan 0.000 0.558 6 I N -1.376 118.990 120.570 -0.339 0.000 2.400 6 I HA 0.022 4.192 4.170 0.000 0.000 0.248 6 I C 0.675 176.527 176.117 -0.442 0.000 1.109 6 I CA 1.138 62.206 61.300 -0.386 0.000 1.425 6 I CB -0.541 37.212 38.000 -0.411 0.000 1.094 6 I HN 0.007 nan 8.210 nan 0.000 0.425 7 F N 0.326 120.380 119.950 0.173 0.000 2.546 7 F HA 0.386 4.914 4.527 0.000 0.000 0.320 7 F C 0.871 176.896 175.800 0.375 0.000 1.076 7 F CA -0.934 57.242 58.000 0.294 0.000 0.928 7 F CB 1.156 40.315 39.000 0.266 0.000 1.189 7 F HN -0.302 nan 8.300 nan 0.000 0.465 8 S N 1.293 117.344 115.700 0.585 0.000 2.579 8 S HA 0.079 4.549 4.470 0.000 0.000 0.275 8 S C 0.857 175.738 174.600 0.468 0.000 1.345 8 S CA -0.504 57.973 58.200 0.461 0.000 1.031 8 S CB 1.007 64.387 63.200 0.300 0.000 0.892 8 S HN 0.703 nan 8.310 nan 0.000 0.529 9 Q N 0.212 120.131 119.800 0.198 0.000 2.297 9 Q HA 0.150 4.490 4.340 0.000 0.000 0.203 9 Q C -0.402 175.727 176.000 0.217 0.000 0.931 9 Q CA 0.597 56.475 55.803 0.123 0.000 0.885 9 Q CB 0.293 28.924 28.738 -0.179 0.000 0.991 9 Q HN 0.453 nan 8.270 nan 0.000 0.498 10 V N 1.385 121.373 119.914 0.122 0.000 2.623 10 V HA 0.239 4.359 4.120 0.000 0.000 0.304 10 V C -0.849 175.233 176.094 -0.019 0.000 1.054 10 V CA -0.894 61.438 62.300 0.055 0.000 0.882 10 V CB 1.838 33.664 31.823 0.005 0.000 1.002 10 V HN 0.101 nan 8.190 nan 0.000 0.424 11 Q N 2.449 122.175 119.800 -0.123 0.000 2.222 11 Q HA 0.794 5.134 4.340 0.000 0.000 0.252 11 Q C -0.620 175.310 176.000 -0.117 0.000 0.926 11 Q CA -0.727 54.973 55.803 -0.172 0.000 0.899 11 Q CB 2.715 31.244 28.738 -0.348 0.000 1.250 11 Q HN 0.781 nan 8.270 nan 0.000 0.441 12 V N -0.981 118.880 119.914 -0.089 0.000 2.914 12 V HA 0.796 4.917 4.120 0.000 0.000 0.314 12 V C -0.853 175.193 176.094 -0.079 0.000 1.084 12 V CA -1.052 61.203 62.300 -0.076 0.000 0.963 12 V CB 2.161 33.953 31.823 -0.051 0.000 1.025 12 V HN 0.830 nan 8.190 nan 0.000 0.432 13 R N 0.907 121.347 120.500 -0.099 0.000 2.725 13 R HA 0.803 5.143 4.340 0.000 0.000 0.277 13 R C -0.285 175.945 176.300 -0.118 0.000 0.987 13 R CA 0.141 56.166 56.100 -0.125 0.000 0.901 13 R CB 2.291 32.444 30.300 -0.245 0.000 1.207 13 R HN 1.271 nan 8.270 nan 0.000 0.463 14 G N 2.053 110.796 108.800 -0.094 0.000 3.086 14 G HA2 0.546 4.506 3.960 0.000 0.000 0.282 14 G HA3 0.546 4.506 3.960 0.000 0.000 0.282 14 G C -2.626 172.234 174.900 -0.067 0.000 1.343 14 G CA -1.102 43.954 45.100 -0.072 0.000 0.895 14 G HN 0.442 nan 8.290 nan 0.000 0.557 15 P HA 0.371 nan 4.420 nan 0.000 0.266 15 P C 0.143 177.489 177.300 0.077 0.000 1.193 15 P CA 0.074 63.175 63.100 0.002 0.000 0.770 15 P CB 0.538 32.242 31.700 0.006 0.000 0.836 16 A N 2.311 125.219 122.820 0.146 0.000 2.567 16 A HA 0.010 4.330 4.320 0.000 0.000 0.240 16 A C 0.463 178.123 177.584 0.126 0.000 1.053 16 A CA 0.215 52.407 52.037 0.258 0.000 0.755 16 A CB -0.348 18.800 19.000 0.246 0.000 0.978 16 A HN 0.514 nan 8.150 nan 0.000 0.507 17 D N 2.689 123.154 120.400 0.108 0.000 2.339 17 D HA 0.276 4.916 4.640 0.000 0.000 0.241 17 D C 0.737 177.048 176.300 0.019 0.000 1.183 17 D CA -0.052 53.977 54.000 0.048 0.000 0.859 17 D CB 0.690 41.512 40.800 0.036 0.000 1.067 17 D HN 0.496 nan 8.370 nan 0.000 0.484 18 L N 2.910 124.142 121.223 0.015 0.000 2.567 18 L HA 0.241 4.581 4.340 0.000 0.000 0.225 18 L C 1.427 178.295 176.870 -0.003 0.000 1.119 18 L CA 0.146 54.989 54.840 0.006 0.000 0.871 18 L CB -0.520 41.544 42.059 0.010 0.000 1.036 18 L HN 0.599 nan 8.230 nan 0.000 0.459 19 G N 0.262 109.058 108.800 -0.007 0.000 2.757 19 G HA2 -0.177 3.783 3.960 0.000 0.000 0.638 19 G HA3 -0.177 3.783 3.960 0.000 0.000 0.638 19 G C -0.458 174.429 174.900 -0.021 0.000 1.344 19 G CA -0.908 44.181 45.100 -0.018 0.000 0.855 19 G HN -0.137 nan 8.290 nan 0.000 0.537 20 M N 0.401 119.981 119.600 -0.033 0.000 2.250 20 M HA 0.362 4.842 4.480 0.000 0.000 0.344 20 M C 1.674 177.951 176.300 -0.038 0.000 1.150 20 M CA 0.214 55.492 55.300 -0.036 0.000 1.147 20 M CB 0.442 33.013 32.600 -0.048 0.000 1.498 20 M HN 0.683 nan 8.290 nan 0.000 0.461 21 T N 0.326 114.861 114.554 -0.033 0.000 2.904 21 T HA 0.011 4.362 4.350 0.000 0.000 0.243 21 T C 0.702 175.376 174.700 -0.043 0.000 1.024 21 T CA 0.260 62.342 62.100 -0.029 0.000 1.158 21 T CB 0.196 69.053 68.868 -0.019 0.000 0.867 21 T HN 0.608 nan 8.240 nan 0.000 0.429 22 E N 1.110 121.284 120.200 -0.044 0.000 3.439 22 E HA -0.220 4.130 4.350 0.000 0.000 0.385 22 E C 0.158 176.729 176.600 -0.048 0.000 1.557 22 E CA 1.683 58.052 56.400 -0.051 0.000 1.684 22 E CB -1.195 28.462 29.700 -0.070 0.000 1.677 22 E HN 0.362 nan 8.360 nan 0.000 0.455 23 D N 0.858 121.220 120.400 -0.062 0.000 2.358 23 D HA 0.193 4.834 4.640 0.000 0.000 0.224 23 D C -0.268 175.998 176.300 -0.058 0.000 1.123 23 D CA 0.075 54.042 54.000 -0.055 0.000 0.833 23 D CB 0.159 40.922 40.800 -0.061 0.000 0.946 23 D HN -0.045 nan 8.370 nan 0.000 0.505 24 V N 1.870 121.746 119.914 -0.063 0.000 2.555 24 V HA -0.012 4.108 4.120 0.000 0.000 0.286 24 V C 0.903 177.015 176.094 0.030 0.000 1.044 24 V CA -0.677 61.587 62.300 -0.059 0.000 1.026 24 V CB 0.937 32.711 31.823 -0.082 0.000 0.981 24 V HN 0.089 nan 8.190 nan 0.000 0.480 25 N N 4.715 123.475 118.700 0.101 0.000 2.400 25 N HA 0.070 4.810 4.740 0.000 0.000 0.278 25 N C 0.871 176.475 175.510 0.156 0.000 1.247 25 N CA 0.260 53.387 53.050 0.129 0.000 0.970 25 N CB 0.285 38.859 38.487 0.145 0.000 1.312 25 N HN 0.672 nan 8.380 nan 0.000 0.488 26 L N 2.132 123.402 121.223 0.078 0.000 2.353 26 L HA -0.143 4.197 4.340 0.000 0.000 0.220 26 L C 2.103 178.982 176.870 0.015 0.000 1.133 26 L CA 0.874 55.747 54.840 0.055 0.000 0.798 26 L CB -0.407 41.668 42.059 0.026 0.000 0.922 26 L HN 0.531 nan 8.230 nan 0.000 0.445 27 A N 0.216 123.035 122.820 -0.002 0.000 2.019 27 A HA -0.166 4.155 4.320 0.000 0.000 0.219 27 A C 1.791 179.318 177.584 -0.095 0.000 1.164 27 A CA 1.488 53.502 52.037 -0.037 0.000 0.644 27 A CB -0.352 18.629 19.000 -0.031 0.000 0.805 27 A HN 0.429 nan 8.150 nan 0.000 0.449 28 N N -0.292 118.313 118.700 -0.159 0.000 2.322 28 N HA 0.059 4.799 4.740 0.000 0.000 0.194 28 N C 0.119 175.369 175.510 -0.434 0.000 1.126 28 N CA 0.187 52.990 53.050 -0.411 0.000 0.845 28 N CB 0.096 38.092 38.487 -0.818 0.000 0.976 28 N HN 0.441 nan 8.380 nan 0.000 0.475 29 R N 0.795 121.204 120.500 -0.153 0.000 2.349 29 R HA 0.209 4.550 4.340 0.000 0.000 0.299 29 R C 0.778 177.042 176.300 -0.061 0.000 1.027 29 R CA -0.250 55.816 56.100 -0.057 0.000 0.958 29 R CB 1.107 31.431 30.300 0.040 0.000 1.047 29 R HN 0.113 nan 8.270 nan 0.000 0.468 30 S N 1.442 117.111 115.700 -0.052 0.000 2.617 30 S HA 0.212 4.682 4.470 0.000 0.000 0.255 30 S C 0.745 175.330 174.600 -0.024 0.000 1.318 30 S CA -0.430 57.746 58.200 -0.039 0.000 0.978 30 S CB 0.751 63.932 63.200 -0.032 0.000 0.961 30 S HN 0.645 nan 8.310 nan 0.000 0.582 31 G N -0.744 108.044 108.800 -0.020 0.000 2.588 31 G HA2 0.486 4.446 3.960 0.000 0.000 0.281 31 G HA3 0.486 4.446 3.960 0.000 0.000 0.281 31 G C 0.054 174.943 174.900 -0.020 0.000 1.236 31 G CA -0.427 44.666 45.100 -0.011 0.000 0.969 31 G HN 1.475 nan 8.290 nan 0.000 0.504 32 V N -0.911 118.993 119.914 -0.017 0.000 2.686 32 V HA 0.663 4.783 4.120 0.000 0.000 0.295 32 V C 1.101 177.159 176.094 -0.060 0.000 1.055 32 V CA -0.253 62.016 62.300 -0.052 0.000 1.050 32 V CB 0.471 32.265 31.823 -0.048 0.000 0.984 32 V HN 0.924 nan 8.190 nan 0.000 0.482 33 G N 3.550 112.283 108.800 -0.111 0.000 2.516 33 G HA2 0.542 4.502 3.960 0.000 0.000 0.276 33 G HA3 0.542 4.502 3.960 0.000 0.000 0.276 33 G C -2.152 172.678 174.900 -0.116 0.000 1.390 33 G CA -0.926 44.118 45.100 -0.093 0.000 1.050 33 G HN 0.802 nan 8.290 nan 0.000 0.519 34 P HA 0.304 nan 4.420 nan 0.000 0.277 34 P C -1.234 175.986 177.300 -0.134 0.000 1.276 34 P CA -0.248 62.850 63.100 -0.003 0.000 0.788 34 P CB 0.644 32.362 31.700 0.030 0.000 1.114 35 F N -0.737 119.205 119.950 -0.014 0.000 2.444 35 F HA 0.321 4.848 4.527 0.000 0.000 0.342 35 F C 0.881 176.666 175.800 -0.025 0.000 1.121 35 F CA -0.302 57.684 58.000 -0.023 0.000 0.997 35 F CB 1.701 40.681 39.000 -0.034 0.000 1.130 35 F HN 0.079 nan 8.300 nan 0.000 0.454 36 S N 2.224 117.989 115.700 0.110 0.000 2.520 36 S HA 0.212 4.682 4.470 0.000 0.000 0.324 36 S C 0.846 175.466 174.600 0.033 0.000 1.069 36 S CA -0.506 57.733 58.200 0.065 0.000 1.121 36 S CB 0.789 64.012 63.200 0.039 0.000 0.971 36 S HN 0.732 nan 8.310 nan 0.000 0.463 37 T N 5.399 119.954 114.554 0.001 0.000 2.833 37 T HA -0.111 4.239 4.350 0.000 0.000 0.269 37 T C 1.706 176.316 174.700 -0.150 0.000 1.054 37 T CA 1.453 63.474 62.100 -0.133 0.000 1.135 37 T CB -0.316 68.492 68.868 -0.100 0.000 0.869 37 T HN 0.582 nan 8.240 nan 0.000 0.466 38 L N 0.794 122.056 121.223 0.064 0.000 1.976 38 L HA -0.032 4.308 4.340 0.000 0.000 0.209 38 L C 2.100 179.097 176.870 0.211 0.000 1.071 38 L CA 1.574 56.546 54.840 0.219 0.000 0.746 38 L CB -0.757 41.399 42.059 0.162 0.000 0.890 38 L HN 0.113 nan 8.230 nan 0.000 0.432 39 L N 0.225 121.522 121.223 0.124 0.000 2.042 39 L HA -0.129 4.211 4.340 0.000 0.000 0.210 39 L C 2.471 179.433 176.870 0.154 0.000 1.076 39 L CA 2.043 56.969 54.840 0.144 0.000 0.749 39 L CB -1.828 40.284 42.059 0.087 0.000 0.893 39 L HN 0.445 nan 8.230 nan 0.000 0.432 40 G N -2.494 106.312 108.800 0.010 0.000 2.535 40 G HA2 -0.270 3.690 3.960 0.000 0.000 0.218 40 G HA3 -0.270 3.690 3.960 0.000 0.000 0.218 40 G C 1.284 176.130 174.900 -0.090 0.000 1.122 40 G CA 0.282 45.333 45.100 -0.081 0.000 0.769 40 G HN 0.486 nan 8.290 nan 0.000 0.549 41 W N -1.338 120.073 121.300 0.185 0.000 2.465 41 W HA 0.232 4.892 4.660 0.000 0.000 0.268 41 W C 1.846 178.631 176.519 0.444 0.000 1.242 41 W CA -0.117 57.377 57.345 0.249 0.000 1.248 41 W CB -0.070 29.480 29.460 0.149 0.000 1.118 41 W HN 0.191 nan 8.180 nan 0.000 0.587 42 F N -1.407 118.785 119.950 0.404 0.000 2.581 42 F HA 0.441 4.968 4.527 0.000 0.000 0.278 42 F C 1.401 177.287 175.800 0.143 0.000 1.000 42 F CA 1.004 59.192 58.000 0.314 0.000 1.230 42 F CB -0.261 38.933 39.000 0.323 0.000 1.008 42 F HN -0.261 nan 8.300 nan 0.000 0.695 43 G N -0.330 108.612 108.800 0.236 0.000 3.243 43 G HA2 0.224 4.184 3.960 0.000 0.000 0.248 43 G HA3 0.224 4.184 3.960 0.000 0.000 0.248 43 G C -1.252 173.685 174.900 0.063 0.000 1.267 43 G CA -0.784 44.367 45.100 0.086 0.000 0.906 43 G HN -0.066 nan 8.290 nan 0.000 0.592 44 N N 0.345 119.067 118.700 0.038 0.000 2.518 44 N HA 0.344 5.084 4.740 0.000 0.000 0.266 44 N C 1.165 176.691 175.510 0.026 0.000 1.196 44 N CA 0.415 53.479 53.050 0.023 0.000 0.947 44 N CB 1.686 40.175 38.487 0.004 0.000 1.098 44 N HN 0.533 nan 8.380 nan 0.000 0.450 45 A N 2.217 125.060 122.820 0.038 0.000 2.016 45 A HA -0.096 4.224 4.320 0.000 0.000 0.217 45 A C 0.996 178.568 177.584 -0.019 0.000 1.162 45 A CA 0.689 52.763 52.037 0.060 0.000 0.662 45 A CB -0.193 18.889 19.000 0.137 0.000 0.812 45 A HN 0.758 nan 8.150 nan 0.000 0.450 46 Q N 0.444 120.169 119.800 -0.125 0.000 2.327 46 Q HA 0.406 4.746 4.340 0.000 0.000 0.254 46 Q C -1.322 174.475 176.000 -0.338 0.000 0.952 46 Q CA -0.348 55.150 55.803 -0.508 0.000 0.884 46 Q CB 0.465 28.930 28.738 -0.455 0.000 1.224 46 Q HN 0.241 nan 8.270 nan 0.000 0.422 47 L N 2.995 123.973 121.223 -0.408 0.000 2.334 47 L HA 0.614 4.954 4.340 0.000 0.000 0.276 47 L C 0.722 177.466 176.870 -0.210 0.000 1.014 47 L CA 0.751 55.456 54.840 -0.224 0.000 0.815 47 L CB 0.577 42.538 42.059 -0.164 0.000 1.268 47 L HN 1.002 nan 8.230 nan 0.000 0.428 48 G N 4.011 112.737 108.800 -0.123 0.000 2.806 48 G HA2 -0.161 3.799 3.960 0.000 0.000 0.236 48 G HA3 -0.161 3.799 3.960 0.000 0.000 0.236 48 G C -2.806 172.037 174.900 -0.095 0.000 1.387 48 G CA -0.880 44.167 45.100 -0.089 0.000 0.884 48 G HN 0.423 nan 8.290 nan 0.000 0.560 49 P HA 0.544 nan 4.420 nan 0.000 0.274 49 P C 0.138 177.431 177.300 -0.012 0.000 1.256 49 P CA -0.508 62.573 63.100 -0.031 0.000 0.795 49 P CB 0.680 32.373 31.700 -0.012 0.000 1.038 50 I N -0.043 120.528 120.570 0.002 0.000 2.693 50 I HA 0.394 4.565 4.170 0.000 0.000 0.303 50 I C -1.031 175.121 176.117 0.058 0.000 1.025 50 I CA -1.357 59.962 61.300 0.032 0.000 1.086 50 I CB 1.469 39.487 38.000 0.030 0.000 1.268 50 I HN 0.200 nan 8.210 nan 0.000 0.440 51 Y N 6.698 126.963 120.300 -0.057 0.000 2.327 51 Y HA 0.285 4.836 4.550 0.000 0.000 0.336 51 Y C -0.351 175.513 175.900 -0.060 0.000 1.035 51 Y CA -0.402 57.658 58.100 -0.067 0.000 1.165 51 Y CB 0.836 39.237 38.460 -0.098 0.000 1.181 51 Y HN 0.453 nan 8.280 nan 0.000 0.494 52 L N 4.148 125.104 121.223 -0.446 0.000 2.185 52 L HA 0.517 4.857 4.340 0.000 0.000 0.202 52 L C 1.193 177.859 176.870 -0.341 0.000 1.234 52 L CA 1.078 55.747 54.840 -0.284 0.000 1.175 52 L CB -1.697 40.221 42.059 -0.235 0.000 1.136 52 L HN 0.903 nan 8.230 nan 0.000 0.643 53 G N -0.856 107.705 108.800 -0.397 0.000 2.787 53 G HA2 -0.201 3.760 3.960 0.000 0.000 0.685 53 G HA3 -0.201 3.760 3.960 0.000 0.000 0.685 53 G C 0.654 175.514 174.900 -0.068 0.000 1.437 53 G CA 0.301 45.268 45.100 -0.221 0.000 0.872 53 G HN 0.596 nan 8.290 nan 0.000 0.566 54 S N -0.188 115.500 115.700 -0.021 0.000 2.395 54 S HA 0.069 4.539 4.470 0.000 0.000 0.225 54 S C 2.423 177.042 174.600 0.031 0.000 1.027 54 S CA 1.222 59.422 58.200 0.000 0.000 0.965 54 S CB -0.108 63.092 63.200 -0.000 0.000 0.812 54 S HN 0.780 nan 8.310 nan 0.000 0.482 55 L N 1.723 122.971 121.223 0.041 0.000 2.042 55 L HA -0.088 4.252 4.340 0.000 0.000 0.210 55 L C 2.743 179.652 176.870 0.065 0.000 1.076 55 L CA 1.783 56.656 54.840 0.054 0.000 0.749 55 L CB -1.394 40.685 42.059 0.033 0.000 0.893 55 L HN 0.548 nan 8.230 nan 0.000 0.432 56 G N -0.864 107.962 108.800 0.042 0.000 2.446 56 G HA2 -0.243 3.718 3.960 0.000 0.000 0.217 56 G HA3 -0.243 3.718 3.960 0.000 0.000 0.217 56 G C 1.580 176.550 174.900 0.116 0.000 1.168 56 G CA 0.986 46.122 45.100 0.060 0.000 0.771 56 G HN 0.277 nan 8.290 nan 0.000 0.551 57 V N 0.724 120.685 119.914 0.079 0.000 2.343 57 V HA -0.139 3.981 4.120 0.000 0.000 0.247 57 V C 2.689 178.877 176.094 0.157 0.000 1.051 57 V CA 1.677 64.033 62.300 0.094 0.000 1.036 57 V CB -0.481 31.364 31.823 0.037 0.000 0.654 57 V HN 0.370 nan 8.190 nan 0.000 0.451 58 L N 0.529 121.838 121.223 0.144 0.000 1.989 58 L HA -0.175 4.165 4.340 0.000 0.000 0.211 58 L C 2.547 179.565 176.870 0.248 0.000 1.071 58 L CA 2.543 57.502 54.840 0.199 0.000 0.749 58 L CB -0.823 41.329 42.059 0.156 0.000 0.890 58 L HN 0.349 nan 8.230 nan 0.000 0.431 59 S N -0.308 115.525 115.700 0.222 0.000 2.368 59 S HA -0.190 4.280 4.470 0.000 0.000 0.225 59 S C 1.839 176.547 174.600 0.179 0.000 1.030 59 S CA 1.557 59.899 58.200 0.236 0.000 0.999 59 S CB -0.786 62.654 63.200 0.399 0.000 0.844 59 S HN 0.494 nan 8.310 nan 0.000 0.459 60 L N 1.154 122.496 121.223 0.198 0.000 2.027 60 L HA 0.045 4.385 4.340 0.000 0.000 0.206 60 L C 2.023 178.947 176.870 0.091 0.000 1.074 60 L CA 1.606 56.515 54.840 0.115 0.000 0.745 60 L CB -0.824 41.315 42.059 0.135 0.000 0.898 60 L HN 0.283 nan 8.230 nan 0.000 0.433 61 F N -0.441 119.527 119.950 0.031 0.000 2.102 61 F HA -0.210 4.317 4.527 0.000 0.000 0.298 61 F C 2.698 178.474 175.800 -0.040 0.000 1.105 61 F CA 1.898 59.903 58.000 0.010 0.000 1.239 61 F CB -0.833 38.184 39.000 0.029 0.000 0.991 61 F HN 0.180 nan 8.300 nan 0.000 0.474 62 S N -0.034 115.640 115.700 -0.044 0.000 2.370 62 S HA -0.119 4.351 4.470 0.000 0.000 0.226 62 S C 2.301 176.809 174.600 -0.154 0.000 1.033 62 S CA 1.448 59.579 58.200 -0.116 0.000 1.011 62 S CB -1.227 62.071 63.200 0.164 0.000 0.852 62 S HN 0.620 nan 8.310 nan 0.000 0.457 63 G N 1.158 109.902 108.800 -0.093 0.000 2.402 63 G HA2 -0.074 3.886 3.960 0.000 0.000 0.216 63 G HA3 -0.074 3.886 3.960 0.000 0.000 0.216 63 G C 1.407 176.267 174.900 -0.067 0.000 1.162 63 G CA 0.670 45.730 45.100 -0.066 0.000 0.777 63 G HN 0.498 nan 8.290 nan 0.000 0.539 64 L N -0.016 121.062 121.223 -0.242 0.000 2.046 64 L HA -0.064 4.277 4.340 0.000 0.000 0.208 64 L C 3.046 179.626 176.870 -0.484 0.000 1.077 64 L CA 0.708 55.285 54.840 -0.438 0.000 0.747 64 L CB -0.316 41.552 42.059 -0.318 0.000 0.896 64 L HN 0.131 nan 8.230 nan 0.000 0.432 65 M N -1.296 117.989 119.600 -0.524 0.000 2.213 65 M HA -0.245 4.235 4.480 0.000 0.000 0.263 65 M C 2.078 178.199 176.300 -0.298 0.000 1.062 65 M CA 1.643 56.551 55.300 -0.652 0.000 1.105 65 M CB -1.199 30.397 32.600 -1.674 0.000 1.385 65 M HN 0.467 nan 8.290 nan 0.000 0.417 66 W N 0.493 121.618 121.300 -0.292 0.000 2.379 66 W HA -0.255 4.405 4.660 0.000 0.000 0.307 66 W C 2.197 178.617 176.519 -0.166 0.000 1.200 66 W CA 1.327 58.602 57.345 -0.117 0.000 1.297 66 W CB -0.915 28.467 29.460 -0.130 0.000 1.140 66 W HN 0.170 nan 8.180 nan 0.000 0.507 67 F N -0.032 119.595 119.950 -0.537 0.000 2.134 67 F HA -0.115 4.412 4.527 0.000 0.000 0.299 67 F C 2.048 177.538 175.800 -0.517 0.000 1.097 67 F CA 1.959 59.478 58.000 -0.802 0.000 1.264 67 F CB -0.931 37.666 39.000 -0.672 0.000 1.001 67 F HN -0.101 nan 8.300 nan 0.000 0.479 68 F N -0.714 119.095 119.950 -0.235 0.000 2.293 68 F HA -0.148 4.380 4.527 0.000 0.000 0.297 68 F C 2.370 178.048 175.800 -0.203 0.000 1.089 68 F CA 1.030 58.892 58.000 -0.231 0.000 1.377 68 F CB -0.787 38.147 39.000 -0.110 0.000 1.051 68 F HN -0.189 nan 8.300 nan 0.000 0.511 69 T N 1.051 115.600 114.554 -0.007 0.000 2.720 69 T HA -0.181 4.169 4.350 0.000 0.000 0.268 69 T C 1.906 176.559 174.700 -0.078 0.000 1.037 69 T CA 1.441 63.550 62.100 0.015 0.000 1.144 69 T CB -0.399 68.520 68.868 0.084 0.000 0.864 69 T HN 0.177 nan 8.240 nan 0.000 0.444 70 I N 1.018 121.376 120.570 -0.353 0.000 2.252 70 I HA -0.045 4.126 4.170 0.000 0.000 0.245 70 I C 2.922 178.707 176.117 -0.553 0.000 1.102 70 I CA 1.251 62.256 61.300 -0.492 0.000 1.385 70 I CB -0.718 36.762 38.000 -0.867 0.000 1.064 70 I HN 0.288 nan 8.210 nan 0.000 0.414 71 G N 0.917 109.406 108.800 -0.519 0.000 2.408 71 G HA2 -0.235 3.725 3.960 0.000 0.000 0.217 71 G HA3 -0.235 3.725 3.960 0.000 0.000 0.217 71 G C 1.684 176.691 174.900 0.178 0.000 1.150 71 G CA 0.537 45.482 45.100 -0.258 0.000 0.776 71 G HN 0.267 nan 8.290 nan 0.000 0.542 72 I N -0.364 120.314 120.570 0.181 0.000 2.226 72 I HA -0.061 4.109 4.170 0.000 0.000 0.245 72 I C 2.366 178.655 176.117 0.287 0.000 1.100 72 I CA 0.962 62.432 61.300 0.284 0.000 1.374 72 I CB -0.214 37.925 38.000 0.232 0.000 1.057 72 I HN 0.448 nan 8.210 nan 0.000 0.413 73 W N 0.178 121.537 121.300 0.097 0.000 2.342 73 W HA -0.307 4.353 4.660 0.000 0.000 0.297 73 W C 2.028 178.677 176.519 0.216 0.000 1.213 73 W CA 1.247 58.688 57.345 0.160 0.000 1.251 73 W CB -0.347 29.223 29.460 0.184 0.000 1.136 73 W HN 0.129 nan 8.180 nan 0.000 0.526 74 F N -0.579 119.283 119.950 -0.147 0.000 2.146 74 F HA -0.115 4.413 4.527 0.000 0.000 0.298 74 F C 2.105 177.409 175.800 -0.828 0.000 1.096 74 F CA 0.979 58.614 58.000 -0.608 0.000 1.275 74 F CB -1.701 37.074 39.000 -0.376 0.000 1.008 74 F HN -0.099 nan 8.300 nan 0.000 0.480 75 W N -1.121 120.061 121.300 -0.197 0.000 2.355 75 W HA -0.268 4.393 4.660 0.000 0.000 0.309 75 W C 2.655 178.556 176.519 -1.030 0.000 1.206 75 W CA 1.796 58.882 57.345 -0.431 0.000 1.284 75 W CB -1.174 28.101 29.460 -0.309 0.000 1.145 75 W HN 0.064 nan 8.180 nan 0.000 0.502 76 Y N 1.296 120.943 120.300 -1.088 0.000 2.114 76 Y HA -0.356 4.194 4.550 0.000 0.000 0.282 76 Y C 2.346 177.669 175.900 -0.961 0.000 1.165 76 Y CA 2.347 59.663 58.100 -1.307 0.000 1.148 76 Y CB -0.736 37.250 38.460 -0.791 0.000 0.972 76 Y HN 0.043 nan 8.280 nan 0.000 0.504 77 Q N -0.581 118.626 119.800 -0.988 0.000 2.224 77 Q HA -0.086 4.254 4.340 0.000 0.000 0.203 77 Q C 2.181 177.827 176.000 -0.590 0.000 0.970 77 Q CA 0.946 56.255 55.803 -0.824 0.000 0.865 77 Q CB -0.231 28.099 28.738 -0.679 0.000 0.922 77 Q HN 0.603 nan 8.270 nan 0.000 0.445 78 A N 0.360 122.759 122.820 -0.701 0.000 2.235 78 A HA 0.223 4.543 4.320 0.000 0.000 0.208 78 A C 1.423 178.858 177.584 -0.249 0.000 1.172 78 A CA 0.677 52.523 52.037 -0.320 0.000 0.786 78 A CB -0.482 18.366 19.000 -0.254 0.000 0.804 78 A HN 0.427 nan 8.150 nan 0.000 0.479 79 G N -2.041 106.473 108.800 -0.476 0.000 2.305 79 G HA2 -0.301 3.660 3.960 0.000 0.000 0.287 79 G HA3 -0.301 3.660 3.960 0.000 0.000 0.287 79 G C 0.292 175.155 174.900 -0.062 0.000 1.036 79 G CA 0.315 45.207 45.100 -0.347 0.000 0.887 79 G HN 1.181 nan 8.290 nan 0.000 0.505 80 W N -2.679 118.681 121.300 0.100 0.000 3.520 80 W HA -0.200 4.460 4.660 0.000 0.000 0.305 80 W C 0.600 177.276 176.519 0.262 0.000 1.150 80 W CA 0.243 57.717 57.345 0.214 0.000 0.656 80 W CB -1.975 27.519 29.460 0.057 0.000 2.198 80 W HN 0.609 nan 8.180 nan 0.000 1.417 81 N N 0.975 119.882 118.700 0.345 0.000 2.457 81 N HA 0.224 4.964 4.740 0.000 0.000 0.250 81 N C -1.141 174.558 175.510 0.315 0.000 0.982 81 N CA -1.979 51.237 53.050 0.278 0.000 0.941 81 N CB 1.506 40.082 38.487 0.148 0.000 1.120 81 N HN -0.257 nan 8.380 nan 0.000 0.505 82 P HA -0.114 nan 4.420 nan 0.000 0.216 82 P C 0.832 178.258 177.300 0.211 0.000 1.150 82 P CA 1.269 64.591 63.100 0.370 0.000 0.843 82 P CB 0.293 32.200 31.700 0.345 0.000 0.787 83 A N -0.760 122.153 122.820 0.155 0.000 1.898 83 A HA -0.134 4.187 4.320 0.000 0.000 0.216 83 A C 2.327 179.949 177.584 0.064 0.000 1.181 83 A CA 1.731 53.823 52.037 0.092 0.000 0.620 83 A CB -1.587 17.453 19.000 0.066 0.000 0.819 83 A HN 0.060 nan 8.150 nan 0.000 0.442 84 V N -1.362 118.599 119.914 0.078 0.000 2.548 84 V HA -0.164 3.956 4.120 0.000 0.000 0.249 84 V C 2.188 178.355 176.094 0.121 0.000 1.055 84 V CA 1.682 64.017 62.300 0.058 0.000 1.065 84 V CB -0.897 30.960 31.823 0.056 0.000 0.681 84 V HN 0.610 nan 8.190 nan 0.000 0.462 85 F N 0.580 120.479 119.950 -0.086 0.000 2.069 85 F HA -0.219 4.308 4.527 0.000 0.000 0.298 85 F C 2.032 177.789 175.800 -0.070 0.000 1.113 85 F CA 1.883 59.758 58.000 -0.209 0.000 1.214 85 F CB -0.157 38.327 39.000 -0.860 0.000 0.978 85 F HN 0.026 nan 8.300 nan 0.000 0.474 86 L N -0.372 120.849 121.223 -0.002 0.000 2.109 86 L HA -0.132 4.209 4.340 0.000 0.000 0.207 86 L C 2.684 179.436 176.870 -0.196 0.000 1.086 86 L CA 1.182 55.958 54.840 -0.107 0.000 0.760 86 L CB -0.688 41.379 42.059 0.012 0.000 0.910 86 L HN 0.106 nan 8.230 nan 0.000 0.437 87 R N 0.379 120.796 120.500 -0.139 0.000 2.081 87 R HA -0.172 4.169 4.340 0.000 0.000 0.235 87 R C 0.759 176.906 176.300 -0.256 0.000 1.131 87 R CA 1.865 57.864 56.100 -0.169 0.000 0.960 87 R CB 0.055 30.277 30.300 -0.131 0.000 0.856 87 R HN 0.274 nan 8.270 nan 0.000 0.436 88 D N 0.121 120.299 120.400 -0.370 0.000 2.402 88 D HA -0.002 4.639 4.640 0.000 0.000 0.216 88 D C 1.260 176.962 176.300 -0.997 0.000 1.128 88 D CA -0.135 53.472 54.000 -0.655 0.000 0.833 88 D CB 0.415 40.656 40.800 -0.932 0.000 0.971 88 D HN 0.087 nan 8.370 nan 0.000 0.503 89 L N 0.281 121.123 121.223 -0.635 0.000 2.010 89 L HA -0.226 4.114 4.340 0.000 0.000 0.219 89 L C 1.464 178.139 176.870 -0.325 0.000 1.077 89 L CA 1.803 56.345 54.840 -0.497 0.000 0.773 89 L CB -0.502 41.249 42.059 -0.513 0.000 0.892 89 L HN 0.002 nan 8.230 nan 0.000 0.436 90 F N -1.857 117.737 119.950 -0.593 0.000 2.748 90 F HA 0.021 4.548 4.527 0.000 0.000 0.299 90 F C 1.883 177.067 175.800 -1.026 0.000 1.154 90 F CA 0.203 57.631 58.000 -0.952 0.000 1.446 90 F CB -1.008 37.027 39.000 -1.609 0.000 1.112 90 F HN 0.077 nan 8.300 nan 0.000 0.584 91 F N -2.014 117.606 119.950 -0.551 0.000 2.678 91 F HA 0.147 4.674 4.527 0.000 0.000 0.291 91 F C 0.852 176.393 175.800 -0.430 0.000 1.123 91 F CA -0.407 57.368 58.000 -0.374 0.000 1.395 91 F CB -0.396 38.362 39.000 -0.402 0.000 1.121 91 F HN -0.357 nan 8.300 nan 0.000 0.592 92 F N 0.530 120.269 119.950 -0.351 0.000 2.539 92 F HA 0.330 4.858 4.527 0.000 0.000 0.340 92 F C 0.736 176.266 175.800 -0.449 0.000 1.185 92 F CA -0.467 57.129 58.000 -0.673 0.000 1.333 92 F CB 0.233 38.231 39.000 -1.670 0.000 1.152 92 F HN -0.338 nan 8.300 nan 0.000 0.602 93 S N 1.888 117.717 115.700 0.214 0.000 2.592 93 S HA 0.461 4.932 4.470 0.000 0.000 0.275 93 S C -1.780 173.262 174.600 0.738 0.000 1.169 93 S CA -0.736 57.766 58.200 0.503 0.000 0.958 93 S CB 0.688 64.096 63.200 0.346 0.000 1.095 93 S HN 0.561 nan 8.310 nan 0.000 0.471 94 L N 5.053 126.721 121.223 0.741 0.000 2.260 94 L HA 0.604 4.944 4.340 0.000 0.000 0.289 94 L C -0.263 176.806 176.870 0.332 0.000 1.057 94 L CA 0.447 55.508 54.840 0.367 0.000 0.811 94 L CB 0.598 42.856 42.059 0.331 0.000 1.184 94 L HN 0.624 nan 8.230 nan 0.000 0.429 95 E N 6.891 127.165 120.200 0.124 0.000 2.202 95 E HA 0.482 4.832 4.350 0.000 0.000 0.272 95 E C -2.495 173.942 176.600 -0.271 0.000 0.951 95 E CA -1.909 54.484 56.400 -0.011 0.000 0.813 95 E CB 1.230 30.956 29.700 0.044 0.000 1.151 95 E HN 0.447 nan 8.360 nan 0.000 0.398 96 P HA 0.193 nan 4.420 nan 0.000 0.272 96 P C -2.530 174.534 177.300 -0.394 0.000 1.240 96 P CA -1.411 61.014 63.100 -1.124 0.000 0.791 96 P CB -0.559 30.281 31.700 -1.434 0.000 0.978 97 P HA 0.012 nan 4.420 nan 0.000 0.267 97 P C -0.085 177.244 177.300 0.049 0.000 1.201 97 P CA 0.363 63.444 63.100 -0.032 0.000 0.775 97 P CB -0.014 31.719 31.700 0.055 0.000 0.854 98 A N 4.763 127.691 122.820 0.180 0.000 2.507 98 A HA 0.155 4.475 4.320 0.000 0.000 0.235 98 A C -1.167 176.487 177.584 0.117 0.000 1.070 98 A CA -0.549 51.578 52.037 0.150 0.000 0.768 98 A CB -1.183 17.923 19.000 0.177 0.000 1.011 98 A HN 0.439 nan 8.150 nan 0.000 0.502 99 P HA -0.163 nan 4.420 nan 0.000 0.217 99 P C 0.784 178.059 177.300 -0.042 0.000 1.148 99 P CA 1.634 64.727 63.100 -0.012 0.000 0.828 99 P CB 0.102 31.783 31.700 -0.032 0.000 0.783 100 E N -1.702 118.445 120.200 -0.089 0.000 2.204 100 E HA -0.184 4.166 4.350 0.000 0.000 0.195 100 E C 1.392 177.830 176.600 -0.270 0.000 0.990 100 E CA 1.088 57.360 56.400 -0.214 0.000 0.821 100 E CB -0.913 28.594 29.700 -0.322 0.000 0.750 100 E HN 0.473 nan 8.360 nan 0.000 0.477 101 Y N 0.083 120.372 120.300 -0.019 0.000 2.546 101 Y HA 0.097 4.647 4.550 0.000 0.000 0.287 101 Y C 1.804 177.674 175.900 -0.049 0.000 1.158 101 Y CA 0.203 58.297 58.100 -0.011 0.000 1.307 101 Y CB -0.263 38.213 38.460 0.027 0.000 1.036 101 Y HN 0.103 nan 8.280 nan 0.000 0.532 102 G N 1.081 109.887 108.800 0.009 0.000 2.672 102 G HA2 -0.370 3.590 3.960 0.000 0.000 0.324 102 G HA3 -0.370 3.590 3.960 0.000 0.000 0.324 102 G C 0.634 175.383 174.900 -0.252 0.000 1.286 102 G CA 0.785 45.813 45.100 -0.120 0.000 1.004 102 G HN 0.303 nan 8.290 nan 0.000 0.548 103 L N 1.921 122.909 121.223 -0.392 0.000 2.653 103 L HA 0.335 4.675 4.340 0.000 0.000 0.231 103 L C 1.768 178.455 176.870 -0.304 0.000 1.153 103 L CA 0.527 54.943 54.840 -0.706 0.000 0.933 103 L CB -0.073 41.536 42.059 -0.750 0.000 1.175 103 L HN 0.644 nan 8.230 nan 0.000 0.473 104 S N -0.734 114.898 115.700 -0.113 0.000 2.603 104 S HA 0.206 4.676 4.470 0.000 0.000 0.268 104 S C 0.166 174.696 174.600 -0.116 0.000 1.317 104 S CA -0.313 57.845 58.200 -0.069 0.000 1.012 104 S CB 0.497 63.744 63.200 0.078 0.000 0.926 104 S HN 0.177 nan 8.310 nan 0.000 0.539 105 F N 0.862 120.926 119.950 0.189 0.000 2.798 105 F HA 0.461 4.989 4.527 0.000 0.000 0.291 105 F C 1.526 177.346 175.800 0.033 0.000 1.174 105 F CA -0.223 57.835 58.000 0.096 0.000 1.392 105 F CB -0.261 38.767 39.000 0.045 0.000 0.966 105 F HN 0.778 nan 8.300 nan 0.000 0.509 106 A N -0.042 122.863 122.820 0.142 0.000 2.430 106 A HA 0.656 4.976 4.320 0.000 0.000 0.243 106 A C 1.182 178.731 177.584 -0.058 0.000 1.254 106 A CA -0.025 52.071 52.037 0.098 0.000 0.914 106 A CB -0.360 18.738 19.000 0.164 0.000 0.998 106 A HN 0.186 nan 8.150 nan 0.000 0.515 107 A N 1.331 123.957 122.820 -0.322 0.000 2.425 107 A HA 0.556 4.876 4.320 0.000 0.000 0.249 107 A C -2.400 174.986 177.584 -0.330 0.000 1.084 107 A CA -1.029 50.524 52.037 -0.806 0.000 0.781 107 A CB -0.383 18.069 19.000 -0.913 0.000 1.019 107 A HN 0.233 nan 8.150 nan 0.000 0.490 108 P HA 0.106 nan 4.420 nan 0.000 0.269 108 P C 0.947 178.196 177.300 -0.085 0.000 1.209 108 P CA -0.249 62.798 63.100 -0.088 0.000 0.776 108 P CB 0.390 32.080 31.700 -0.017 0.000 0.876 109 L N 1.743 122.942 121.223 -0.041 0.000 2.034 109 L HA -0.269 4.071 4.340 0.000 0.000 0.217 109 L C 1.993 178.811 176.870 -0.087 0.000 1.077 109 L CA 1.962 56.775 54.840 -0.044 0.000 0.769 109 L CB -0.638 41.419 42.059 -0.003 0.000 0.890 109 L HN 0.472 nan 8.230 nan 0.000 0.435 110 K N -0.509 119.876 120.400 -0.024 0.000 2.432 110 K HA -0.049 4.272 4.320 0.000 0.000 0.196 110 K C 0.627 177.201 176.600 -0.044 0.000 1.038 110 K CA 0.623 56.924 56.287 0.023 0.000 0.986 110 K CB 0.167 32.790 32.500 0.205 0.000 0.782 110 K HN 0.347 nan 8.250 nan 0.000 0.485 111 E N -0.793 119.368 120.200 -0.066 0.000 3.157 111 E HA 0.136 4.486 4.350 0.000 0.000 0.203 111 E C 0.234 176.763 176.600 -0.118 0.000 0.982 111 E CA -0.136 56.237 56.400 -0.045 0.000 1.217 111 E CB 1.347 31.061 29.700 0.022 0.000 1.123 111 E HN 0.376 nan 8.360 nan 0.000 0.457 112 G N -0.051 108.664 108.800 -0.141 0.000 2.797 112 G HA2 -0.243 3.717 3.960 0.000 0.000 0.195 112 G HA3 -0.243 3.717 3.960 0.000 0.000 0.195 112 G C 1.157 176.051 174.900 -0.010 0.000 1.026 112 G CA -0.145 44.907 45.100 -0.079 0.000 0.759 112 G HN 0.406 nan 8.290 nan 0.000 0.475 113 G N 0.952 109.707 108.800 -0.075 0.000 2.476 113 G HA2 -0.067 3.893 3.960 0.000 0.000 0.218 113 G HA3 -0.067 3.893 3.960 0.000 0.000 0.218 113 G C 1.728 176.624 174.900 -0.007 0.000 1.164 113 G CA 1.701 46.781 45.100 -0.034 0.000 0.768 113 G HN 0.678 nan 8.290 nan 0.000 0.560 114 L N -0.704 120.491 121.223 -0.047 0.000 2.141 114 L HA 0.107 4.447 4.340 0.000 0.000 0.209 114 L C 2.294 179.179 176.870 0.024 0.000 1.094 114 L CA 0.974 55.791 54.840 -0.040 0.000 0.763 114 L CB -0.856 41.116 42.059 -0.145 0.000 0.908 114 L HN 0.548 nan 8.230 nan 0.000 0.437 115 W N -0.389 120.845 121.300 -0.110 0.000 2.381 115 W HA -0.191 4.470 4.660 0.000 0.000 0.301 115 W C 2.195 178.746 176.519 0.052 0.000 1.205 115 W CA 1.433 58.787 57.345 0.014 0.000 1.285 115 W CB -0.105 29.329 29.460 -0.042 0.000 1.133 115 W HN 0.070 nan 8.180 nan 0.000 0.521 116 L N 0.188 121.496 121.223 0.141 0.000 2.093 116 L HA -0.215 4.126 4.340 0.000 0.000 0.208 116 L C 2.392 179.170 176.870 -0.153 0.000 1.085 116 L CA 1.284 56.076 54.840 -0.080 0.000 0.755 116 L CB -0.740 41.338 42.059 0.032 0.000 0.904 116 L HN 0.030 nan 8.230 nan 0.000 0.435 117 I N -0.258 120.249 120.570 -0.105 0.000 2.142 117 I HA -0.293 3.878 4.170 0.000 0.000 0.240 117 I C 2.833 178.877 176.117 -0.121 0.000 1.078 117 I CA 1.217 62.418 61.300 -0.164 0.000 1.343 117 I CB -0.541 37.406 38.000 -0.089 0.000 1.046 117 I HN 0.192 nan 8.210 nan 0.000 0.405 118 A N 0.275 123.094 122.820 -0.000 0.000 1.892 118 A HA -0.250 4.070 4.320 0.000 0.000 0.218 118 A C 2.483 180.134 177.584 0.111 0.000 1.188 118 A CA 2.524 54.625 52.037 0.106 0.000 0.631 118 A CB -0.895 18.037 19.000 -0.114 0.000 0.822 118 A HN 0.423 nan 8.150 nan 0.000 0.447 119 S N -1.303 114.297 115.700 -0.166 0.000 2.368 119 S HA -0.127 4.343 4.470 0.000 0.000 0.225 119 S C 1.644 176.217 174.600 -0.045 0.000 1.030 119 S CA 1.395 59.470 58.200 -0.208 0.000 0.999 119 S CB -0.529 62.217 63.200 -0.756 0.000 0.844 119 S HN 0.636 nan 8.310 nan 0.000 0.459 120 F N 1.903 121.721 119.950 -0.220 0.000 2.095 120 F HA -0.146 4.381 4.527 0.000 0.000 0.298 120 F C 1.692 177.475 175.800 -0.029 0.000 1.104 120 F CA 1.372 59.254 58.000 -0.197 0.000 1.232 120 F CB -0.473 38.299 39.000 -0.381 0.000 0.987 120 F HN 0.111 nan 8.300 nan 0.000 0.475 121 F N -0.017 119.979 119.950 0.077 0.000 2.171 121 F HA -0.218 4.310 4.527 0.000 0.000 0.300 121 F C 2.628 178.373 175.800 -0.091 0.000 1.090 121 F CA 1.555 59.551 58.000 -0.006 0.000 1.293 121 F CB -1.100 37.965 39.000 0.108 0.000 1.013 121 F HN 0.075 nan 8.300 nan 0.000 0.486 122 M N -1.317 118.308 119.600 0.042 0.000 2.132 122 M HA -0.228 4.253 4.480 0.000 0.000 0.263 122 M C 2.328 178.635 176.300 0.011 0.000 1.065 122 M CA 1.683 56.820 55.300 -0.272 0.000 1.122 122 M CB -0.443 31.841 32.600 -0.528 0.000 1.365 122 M HN 0.184 nan 8.290 nan 0.000 0.411 123 F N 0.281 120.253 119.950 0.037 0.000 2.069 123 F HA -0.257 4.270 4.527 0.000 0.000 0.298 123 F C 2.262 178.136 175.800 0.124 0.000 1.113 123 F CA 2.221 60.338 58.000 0.194 0.000 1.214 123 F CB -0.569 38.413 39.000 -0.031 0.000 0.978 123 F HN 0.100 nan 8.300 nan 0.000 0.474 124 V N 0.306 120.286 119.914 0.110 0.000 2.515 124 V HA -0.115 4.005 4.120 0.000 0.000 0.250 124 V C 2.212 178.353 176.094 0.078 0.000 1.058 124 V CA 1.773 64.113 62.300 0.068 0.000 1.064 124 V CB -1.236 30.567 31.823 -0.033 0.000 0.675 124 V HN 0.399 nan 8.190 nan 0.000 0.461 125 A N 0.141 122.972 122.820 0.019 0.000 1.877 125 A HA -0.089 4.231 4.320 0.000 0.000 0.216 125 A C 2.384 179.950 177.584 -0.030 0.000 1.186 125 A CA 2.371 54.403 52.037 -0.008 0.000 0.620 125 A CB -0.945 17.979 19.000 -0.127 0.000 0.822 125 A HN 0.522 nan 8.150 nan 0.000 0.443 126 V N -2.383 117.389 119.914 -0.237 0.000 2.307 126 V HA -0.259 3.862 4.120 0.000 0.000 0.245 126 V C 2.264 178.230 176.094 -0.213 0.000 1.045 126 V CA 1.735 63.784 62.300 -0.418 0.000 1.024 126 V CB -0.999 30.089 31.823 -1.225 0.000 0.651 126 V HN 0.785 nan 8.190 nan 0.000 0.449 127 W N 0.781 121.967 121.300 -0.189 0.000 2.388 127 W HA -0.169 4.491 4.660 0.000 0.000 0.294 127 W C 2.928 179.518 176.519 0.119 0.000 1.212 127 W CA 1.469 58.754 57.345 -0.101 0.000 1.271 127 W CB -0.351 28.920 29.460 -0.316 0.000 1.126 127 W HN 0.362 nan 8.180 nan 0.000 0.535 128 S N -1.138 114.747 115.700 0.309 0.000 2.428 128 S HA -0.218 4.253 4.470 0.000 0.000 0.230 128 S C 1.665 176.410 174.600 0.241 0.000 1.014 128 S CA 0.732 59.083 58.200 0.251 0.000 0.957 128 S CB -1.125 62.194 63.200 0.198 0.000 0.784 128 S HN 0.471 nan 8.310 nan 0.000 0.499 129 W N 0.906 122.278 121.300 0.121 0.000 2.388 129 W HA -0.068 4.592 4.660 0.000 0.000 0.294 129 W C 1.888 178.571 176.519 0.273 0.000 1.212 129 W CA 0.927 58.349 57.345 0.127 0.000 1.271 129 W CB -0.462 29.041 29.460 0.072 0.000 1.126 129 W HN 0.510 nan 8.180 nan 0.000 0.535 130 W N 1.553 123.066 121.300 0.355 0.000 2.355 130 W HA -0.110 4.551 4.660 0.000 0.000 0.309 130 W C 2.486 179.096 176.519 0.151 0.000 1.206 130 W CA 3.339 60.849 57.345 0.276 0.000 1.284 130 W CB -0.920 28.491 29.460 -0.082 0.000 1.145 130 W HN -0.111 nan 8.180 nan 0.000 0.502 131 G N 0.496 109.360 108.800 0.107 0.000 2.469 131 G HA2 -0.380 3.580 3.960 0.000 0.000 0.219 131 G HA3 -0.380 3.580 3.960 0.000 0.000 0.219 131 G C 1.622 176.359 174.900 -0.272 0.000 1.150 131 G CA 1.269 46.285 45.100 -0.140 0.000 0.763 131 G HN 0.373 nan 8.290 nan 0.000 0.561 132 R N 0.460 120.793 120.500 -0.277 0.000 2.096 132 R HA -0.104 4.236 4.340 0.000 0.000 0.235 132 R C 2.801 178.817 176.300 -0.473 0.000 1.127 132 R CA 2.123 57.978 56.100 -0.407 0.000 0.968 132 R CB -0.648 29.278 30.300 -0.622 0.000 0.861 132 R HN 0.474 nan 8.270 nan 0.000 0.440 133 T N -2.061 112.203 114.554 -0.484 0.000 2.867 133 T HA -0.197 4.154 4.350 0.000 0.000 0.268 133 T C 1.796 176.229 174.700 -0.445 0.000 1.057 133 T CA 1.098 62.946 62.100 -0.420 0.000 1.136 133 T CB -0.550 68.156 68.868 -0.270 0.000 0.874 133 T HN 0.405 nan 8.240 nan 0.000 0.466 134 Y N 1.752 121.650 120.300 -0.669 0.000 2.184 134 Y HA 0.188 4.738 4.550 0.000 0.000 0.290 134 Y C 2.151 177.780 175.900 -0.452 0.000 1.129 134 Y CA 1.039 58.752 58.100 -0.646 0.000 1.144 134 Y CB -0.310 37.662 38.460 -0.814 0.000 0.995 134 Y HN 0.132 nan 8.280 nan 0.000 0.513 135 L N -0.476 120.641 121.223 -0.177 0.000 2.109 135 L HA -0.170 4.170 4.340 0.000 0.000 0.207 135 L C 2.439 179.128 176.870 -0.302 0.000 1.086 135 L CA 0.781 55.520 54.840 -0.168 0.000 0.760 135 L CB -0.418 41.559 42.059 -0.137 0.000 0.910 135 L HN 0.080 nan 8.230 nan 0.000 0.437 136 R N 0.235 120.512 120.500 -0.371 0.000 2.115 136 R HA -0.035 4.306 4.340 0.000 0.000 0.230 136 R C 2.228 178.316 176.300 -0.353 0.000 1.111 136 R CA 1.305 57.161 56.100 -0.407 0.000 0.976 136 R CB -0.871 29.187 30.300 -0.404 0.000 0.870 136 R HN 0.338 nan 8.270 nan 0.000 0.445 137 A N 0.836 123.430 122.820 -0.377 0.000 1.897 137 A HA -0.162 4.158 4.320 0.000 0.000 0.215 137 A C 2.200 179.573 177.584 -0.353 0.000 1.181 137 A CA 1.160 52.978 52.037 -0.366 0.000 0.620 137 A CB -0.438 18.293 19.000 -0.448 0.000 0.821 137 A HN 0.339 nan 8.150 nan 0.000 0.443 138 Q N -0.384 119.172 119.800 -0.406 0.000 2.077 138 Q HA -0.196 4.144 4.340 0.000 0.000 0.206 138 Q C 2.117 177.990 176.000 -0.211 0.000 0.989 138 Q CA 1.848 57.468 55.803 -0.305 0.000 0.853 138 Q CB -0.344 28.251 28.738 -0.239 0.000 0.907 138 Q HN 0.603 nan 8.270 nan 0.000 0.418 139 A N 0.033 122.719 122.820 -0.222 0.000 2.067 139 A HA -0.063 4.257 4.320 0.000 0.000 0.219 139 A C 1.713 179.196 177.584 -0.169 0.000 1.158 139 A CA 0.821 52.745 52.037 -0.189 0.000 0.661 139 A CB -0.197 18.656 19.000 -0.245 0.000 0.801 139 A HN 0.440 nan 8.150 nan 0.000 0.452 140 L N -1.685 119.426 121.223 -0.187 0.000 2.607 140 L HA 0.257 4.598 4.340 0.000 0.000 0.228 140 L C 1.614 178.404 176.870 -0.133 0.000 1.123 140 L CA 0.496 55.244 54.840 -0.154 0.000 0.890 140 L CB 0.135 42.096 42.059 -0.164 0.000 1.103 140 L HN 0.515 nan 8.230 nan 0.000 0.468 141 G N 0.279 108.995 108.800 -0.141 0.000 2.148 141 G HA2 -0.311 3.649 3.960 0.000 0.000 0.254 141 G HA3 -0.311 3.649 3.960 0.000 0.000 0.254 141 G C 0.307 175.131 174.900 -0.126 0.000 0.981 141 G CA 0.199 45.227 45.100 -0.119 0.000 0.670 141 G HN 0.261 nan 8.290 nan 0.000 0.528 142 M N 0.621 120.125 119.600 -0.161 0.000 2.247 142 M HA 0.514 4.994 4.480 0.000 0.000 0.326 142 M C 1.471 177.668 176.300 -0.171 0.000 1.134 142 M CA 0.166 55.375 55.300 -0.152 0.000 1.136 142 M CB 0.615 33.115 32.600 -0.166 0.000 1.454 142 M HN 0.219 nan 8.290 nan 0.000 0.467 143 G N 0.733 109.483 108.800 -0.084 0.000 2.699 143 G HA2 0.103 4.063 3.960 0.000 0.000 0.246 143 G HA3 0.103 4.063 3.960 0.000 0.000 0.246 143 G C 0.245 175.013 174.900 -0.221 0.000 1.219 143 G CA -0.509 44.563 45.100 -0.047 0.000 0.866 143 G HN 0.629 nan 8.290 nan 0.000 0.572 144 K N -0.288 119.828 120.400 -0.474 0.000 2.493 144 K HA 0.132 4.452 4.320 0.000 0.000 0.207 144 K C 1.343 177.454 176.600 -0.816 0.000 1.033 144 K CA -0.147 55.639 56.287 -0.835 0.000 1.161 144 K CB 0.010 31.770 32.500 -1.235 0.000 0.873 144 K HN 0.600 nan 8.250 nan 0.000 0.491 145 H N 0.071 118.919 119.070 -0.369 0.000 2.387 145 H HA -0.074 4.482 4.556 0.000 0.000 0.299 145 H C 1.679 176.932 175.328 -0.126 0.000 1.099 145 H CA 1.978 57.926 56.048 -0.166 0.000 1.315 145 H CB -0.137 29.566 29.762 -0.098 0.000 1.380 145 H HN 0.071 nan 8.280 nan 0.000 0.513 146 T N 0.210 114.724 114.554 -0.066 0.000 2.674 146 T HA -0.160 4.190 4.350 0.000 0.000 0.265 146 T C 2.410 177.129 174.700 0.032 0.000 1.039 146 T CA 1.363 63.437 62.100 -0.044 0.000 1.150 146 T CB -0.555 68.244 68.868 -0.116 0.000 0.864 146 T HN 0.522 nan 8.240 nan 0.000 0.427 147 A N 0.435 123.183 122.820 -0.121 0.000 1.933 147 A HA -0.086 4.234 4.320 0.000 0.000 0.218 147 A C 2.184 180.098 177.584 0.549 0.000 1.175 147 A CA 1.233 53.291 52.037 0.035 0.000 0.628 147 A CB -1.165 17.568 19.000 -0.445 0.000 0.814 147 A HN 0.746 nan 8.150 nan 0.000 0.444 148 W N -0.491 120.942 121.300 0.221 0.000 2.358 148 W HA -0.085 4.575 4.660 0.000 0.000 0.303 148 W C 2.788 179.357 176.519 0.082 0.000 1.208 148 W CA 0.494 57.925 57.345 0.144 0.000 1.274 148 W CB -0.094 29.354 29.460 -0.019 0.000 1.138 148 W HN 0.423 nan 8.180 nan 0.000 0.515 149 A N 0.266 123.259 122.820 0.288 0.000 1.902 149 A HA -0.251 4.069 4.320 0.000 0.000 0.217 149 A C 1.739 179.484 177.584 0.269 0.000 1.181 149 A CA 1.445 53.576 52.037 0.158 0.000 0.623 149 A CB -1.234 17.816 19.000 0.082 0.000 0.818 149 A HN 0.341 nan 8.150 nan 0.000 0.443 150 F N 0.261 120.313 119.950 0.170 0.000 2.171 150 F HA -0.118 4.410 4.527 0.000 0.000 0.300 150 F C 1.771 177.664 175.800 0.155 0.000 1.090 150 F CA 1.199 59.302 58.000 0.172 0.000 1.293 150 F CB -0.702 38.449 39.000 0.251 0.000 1.013 150 F HN 0.183 nan 8.300 nan 0.000 0.486 151 L N -0.256 121.100 121.223 0.221 0.000 2.127 151 L HA -0.185 4.155 4.340 0.000 0.000 0.211 151 L C 2.728 179.595 176.870 -0.005 0.000 1.089 151 L CA 2.055 56.858 54.840 -0.062 0.000 0.757 151 L CB -1.196 40.930 42.059 0.112 0.000 0.899 151 L HN 0.257 nan 8.230 nan 0.000 0.434 152 S N -1.235 114.515 115.700 0.083 0.000 2.368 152 S HA -0.138 4.332 4.470 0.000 0.000 0.224 152 S C 2.162 176.872 174.600 0.183 0.000 1.029 152 S CA 1.086 59.355 58.200 0.115 0.000 0.988 152 S CB -0.303 62.935 63.200 0.062 0.000 0.838 152 S HN 0.589 nan 8.310 nan 0.000 0.462 153 A N 1.512 124.421 122.820 0.148 0.000 1.877 153 A HA 0.015 4.336 4.320 0.000 0.000 0.216 153 A C 2.110 179.744 177.584 0.082 0.000 1.186 153 A CA 1.504 53.625 52.037 0.141 0.000 0.620 153 A CB -0.841 18.277 19.000 0.196 0.000 0.822 153 A HN 0.620 nan 8.150 nan 0.000 0.443 154 I N -1.163 119.352 120.570 -0.091 0.000 2.335 154 I HA -0.296 3.874 4.170 0.000 0.000 0.251 154 I C 2.493 178.691 176.117 0.134 0.000 1.129 154 I CA 1.467 62.663 61.300 -0.172 0.000 1.402 154 I CB -0.319 37.223 38.000 -0.763 0.000 1.069 154 I HN 0.784 nan 8.210 nan 0.000 0.424 155 W N 1.715 122.989 121.300 -0.043 0.000 2.355 155 W HA -0.286 4.374 4.660 0.000 0.000 0.309 155 W C 2.298 178.850 176.519 0.055 0.000 1.206 155 W CA 1.165 58.517 57.345 0.012 0.000 1.284 155 W CB -0.337 29.119 29.460 -0.006 0.000 1.145 155 W HN 0.146 nan 8.180 nan 0.000 0.502 156 L N 1.156 122.336 121.223 -0.071 0.000 2.017 156 L HA -0.159 4.182 4.340 0.000 0.000 0.208 156 L C 2.357 179.178 176.870 -0.082 0.000 1.073 156 L CA 2.823 57.548 54.840 -0.191 0.000 0.745 156 L CB -1.702 40.352 42.059 -0.009 0.000 0.894 156 L HN 0.240 nan 8.230 nan 0.000 0.432 157 W N -0.141 121.072 121.300 -0.145 0.000 2.335 157 W HA -0.271 4.389 4.660 0.000 0.000 0.311 157 W C 2.255 178.728 176.519 -0.078 0.000 1.213 157 W CA 2.109 59.383 57.345 -0.119 0.000 1.274 157 W CB -0.255 29.113 29.460 -0.153 0.000 1.148 157 W HN 0.110 nan 8.180 nan 0.000 0.498 158 M N 0.047 119.491 119.600 -0.261 0.000 2.159 158 M HA -0.169 4.311 4.480 0.000 0.000 0.263 158 M C 1.936 178.120 176.300 -0.193 0.000 1.063 158 M CA 1.372 56.468 55.300 -0.339 0.000 1.110 158 M CB -1.589 31.006 32.600 -0.008 0.000 1.374 158 M HN -0.006 nan 8.290 nan 0.000 0.411 159 V N 0.811 120.532 119.914 -0.322 0.000 2.255 159 V HA -0.281 3.839 4.120 0.000 0.000 0.247 159 V C 2.510 178.500 176.094 -0.174 0.000 1.051 159 V CA 1.618 63.703 62.300 -0.357 0.000 1.018 159 V CB -0.672 30.756 31.823 -0.658 0.000 0.641 159 V HN 0.388 nan 8.190 nan 0.000 0.445 160 L N 0.162 121.280 121.223 -0.175 0.000 2.017 160 L HA -0.079 4.261 4.340 0.000 0.000 0.208 160 L C 2.388 179.219 176.870 -0.065 0.000 1.073 160 L CA 1.935 56.706 54.840 -0.115 0.000 0.745 160 L CB -0.829 41.134 42.059 -0.160 0.000 0.894 160 L HN 0.475 nan 8.230 nan 0.000 0.432 161 G N -2.712 106.027 108.800 -0.102 0.000 2.887 161 G HA2 -0.046 3.914 3.960 0.000 0.000 0.211 161 G HA3 -0.046 3.914 3.960 0.000 0.000 0.211 161 G C 0.938 176.013 174.900 0.293 0.000 1.152 161 G CA 0.055 45.188 45.100 0.055 0.000 0.769 161 G HN 0.271 nan 8.290 nan 0.000 0.541 162 F N -0.364 119.606 119.950 0.034 0.000 1.901 162 F HA 0.349 4.876 4.527 0.000 0.000 0.239 162 F C 2.065 177.941 175.800 0.127 0.000 1.133 162 F CA -0.058 58.045 58.000 0.172 0.000 1.271 162 F CB -0.064 38.981 39.000 0.075 0.000 1.652 162 F HN -0.044 nan 8.300 nan 0.000 0.543 163 I N 0.932 121.604 120.570 0.170 0.000 2.179 163 I HA -0.213 3.958 4.170 0.000 0.000 0.242 163 I C 2.557 178.640 176.117 -0.056 0.000 1.088 163 I CA 1.499 62.819 61.300 0.032 0.000 1.357 163 I CB -0.533 37.520 38.000 0.088 0.000 1.051 163 I HN 0.161 nan 8.210 nan 0.000 0.409 164 R N 0.878 121.361 120.500 -0.029 0.000 2.062 164 R HA -0.121 4.219 4.340 0.000 0.000 0.231 164 R C -0.306 175.979 176.300 -0.025 0.000 1.136 164 R CA 1.680 57.777 56.100 -0.005 0.000 0.948 164 R CB -1.153 29.180 30.300 0.054 0.000 0.845 164 R HN 0.199 nan 8.270 nan 0.000 0.430 165 P HA -0.166 nan 4.420 nan 0.000 0.216 165 P C 1.169 178.271 177.300 -0.331 0.000 1.153 165 P CA 1.424 64.469 63.100 -0.091 0.000 0.858 165 P CB -0.040 31.708 31.700 0.080 0.000 0.789 166 I N -1.561 118.758 120.570 -0.420 0.000 2.226 166 I HA -0.229 3.941 4.170 0.000 0.000 0.245 166 I C 2.204 178.138 176.117 -0.304 0.000 1.100 166 I CA 1.381 62.378 61.300 -0.505 0.000 1.374 166 I CB -0.534 37.151 38.000 -0.524 0.000 1.057 166 I HN -0.095 nan 8.210 nan 0.000 0.413 167 L N -0.490 120.618 121.223 -0.192 0.000 2.156 167 L HA -0.165 4.175 4.340 0.000 0.000 0.208 167 L C 2.405 179.209 176.870 -0.111 0.000 1.095 167 L CA 0.768 55.536 54.840 -0.120 0.000 0.770 167 L CB -0.332 41.690 42.059 -0.063 0.000 0.914 167 L HN 0.284 nan 8.230 nan 0.000 0.439 168 M N -0.824 118.707 119.600 -0.114 0.000 2.492 168 M HA 0.112 4.592 4.480 0.000 0.000 0.262 168 M C 1.581 177.796 176.300 -0.142 0.000 1.090 168 M CA 1.064 56.308 55.300 -0.094 0.000 1.110 168 M CB -0.834 31.737 32.600 -0.048 0.000 1.407 168 M HN 0.409 nan 8.290 nan 0.000 0.470 169 G N 1.707 110.375 108.800 -0.220 0.000 2.132 169 G HA2 -0.197 3.763 3.960 0.000 0.000 0.234 169 G HA3 -0.197 3.763 3.960 0.000 0.000 0.234 169 G C 0.098 174.810 174.900 -0.313 0.000 0.989 169 G CA 0.440 45.386 45.100 -0.257 0.000 0.676 169 G HN 0.709 nan 8.290 nan 0.000 0.522 170 S N -2.322 113.160 115.700 -0.364 0.000 2.542 170 S HA 0.486 4.957 4.470 0.000 0.000 0.276 170 S C 0.307 174.712 174.600 -0.325 0.000 1.148 170 S CA -0.094 57.891 58.200 -0.359 0.000 0.886 170 S CB 0.375 63.474 63.200 -0.169 0.000 1.109 170 S HN 0.473 nan 8.310 nan 0.000 0.458 171 W N 1.742 122.966 121.300 -0.127 0.000 2.525 171 W HA -0.022 4.638 4.660 0.000 0.000 0.259 171 W C 2.609 178.945 176.519 -0.305 0.000 1.253 171 W CA 0.661 57.891 57.345 -0.192 0.000 1.262 171 W CB -0.067 29.284 29.460 -0.181 0.000 1.122 171 W HN 0.938 nan 8.180 nan 0.000 0.607 172 S N -0.018 115.672 115.700 -0.017 0.000 2.442 172 S HA -0.182 4.288 4.470 0.000 0.000 0.236 172 S C 1.431 176.043 174.600 0.020 0.000 1.007 172 S CA 1.128 59.298 58.200 -0.050 0.000 0.965 172 S CB -0.292 62.902 63.200 -0.010 0.000 0.773 172 S HN 0.260 nan 8.310 nan 0.000 0.504 173 E N 1.655 121.894 120.200 0.066 0.000 2.358 173 E HA 0.269 4.619 4.350 0.000 0.000 0.195 173 E C 1.129 177.930 176.600 0.336 0.000 1.010 173 E CA 0.548 57.073 56.400 0.208 0.000 0.856 173 E CB -0.287 29.507 29.700 0.157 0.000 0.795 173 E HN 0.731 nan 8.360 nan 0.000 0.504 174 A N 0.956 123.853 122.820 0.129 0.000 2.280 174 A HA 0.304 4.624 4.320 0.000 0.000 0.268 174 A C 0.369 177.803 177.584 -0.251 0.000 1.111 174 A CA -0.442 51.619 52.037 0.040 0.000 0.814 174 A CB 0.588 19.690 19.000 0.170 0.000 1.093 174 A HN -0.037 nan 8.150 nan 0.000 0.498 175 V N 2.360 121.972 119.914 -0.504 0.000 2.546 175 V HA 0.315 4.435 4.120 0.000 0.000 0.284 175 V C -1.905 173.971 176.094 -0.363 0.000 1.050 175 V CA -1.133 60.635 62.300 -0.886 0.000 0.981 175 V CB 0.962 32.272 31.823 -0.854 0.000 0.990 175 V HN 0.832 nan 8.190 nan 0.000 0.474 176 P HA 0.182 nan 4.420 nan 0.000 0.274 176 P C -1.242 176.027 177.300 -0.050 0.000 1.231 176 P CA -0.309 62.757 63.100 -0.057 0.000 0.790 176 P CB 0.399 32.159 31.700 0.100 0.000 0.951 177 Y N 0.974 121.501 120.300 0.378 0.000 2.556 177 Y HA 0.545 5.096 4.550 0.000 0.000 0.352 177 Y C 1.433 177.553 175.900 0.367 0.000 1.006 177 Y CA 0.198 58.467 58.100 0.282 0.000 1.277 177 Y CB 0.307 38.863 38.460 0.160 0.000 1.136 177 Y HN 0.531 nan 8.280 nan 0.000 0.523 178 G N 2.046 111.101 108.800 0.424 0.000 2.616 178 G HA2 0.284 4.244 3.960 0.000 0.000 0.294 178 G HA3 0.284 4.244 3.960 0.000 0.000 0.294 178 G C -0.154 174.909 174.900 0.272 0.000 1.489 178 G CA -0.760 44.593 45.100 0.421 0.000 0.836 178 G HN 0.295 nan 8.290 nan 0.000 0.527 179 I N 0.744 121.397 120.570 0.139 0.000 2.094 179 I HA -0.002 4.168 4.170 0.000 0.000 0.234 179 I C 2.565 178.812 176.117 0.218 0.000 1.063 179 I CA 1.355 62.662 61.300 0.012 0.000 1.328 179 I CB -0.985 36.733 38.000 -0.470 0.000 1.058 179 I HN 0.456 nan 8.210 nan 0.000 0.400 180 F N 1.863 121.792 119.950 -0.036 0.000 2.186 180 F HA -0.142 4.385 4.527 0.000 0.000 0.299 180 F C 3.006 178.834 175.800 0.048 0.000 1.090 180 F CA 1.226 59.185 58.000 -0.068 0.000 1.307 180 F CB -1.669 37.184 39.000 -0.246 0.000 1.019 180 F HN 0.196 nan 8.300 nan 0.000 0.489 181 S N -0.174 115.710 115.700 0.305 0.000 2.402 181 S HA -0.230 4.241 4.470 0.000 0.000 0.229 181 S C 2.082 176.880 174.600 0.330 0.000 1.021 181 S CA 1.338 59.708 58.200 0.283 0.000 0.974 181 S CB -1.202 62.161 63.200 0.272 0.000 0.800 181 S HN 0.642 nan 8.310 nan 0.000 0.484 182 H N 2.341 121.541 119.070 0.217 0.000 2.423 182 H HA 0.118 4.674 4.556 0.000 0.000 0.297 182 H C 1.890 177.383 175.328 0.274 0.000 1.075 182 H CA 1.308 57.487 56.048 0.218 0.000 1.342 182 H CB -0.656 29.191 29.762 0.142 0.000 1.395 182 H HN 0.447 nan 8.280 nan 0.000 0.530 183 L N 0.756 121.932 121.223 -0.078 0.000 2.056 183 L HA -0.134 4.206 4.340 0.000 0.000 0.207 183 L C 2.358 179.255 176.870 0.044 0.000 1.078 183 L CA 1.350 56.128 54.840 -0.103 0.000 0.749 183 L CB -0.381 41.634 42.059 -0.074 0.000 0.901 183 L HN 0.146 nan 8.230 nan 0.000 0.433 184 D N -0.527 119.936 120.400 0.106 0.000 2.117 184 D HA -0.241 4.399 4.640 0.000 0.000 0.197 184 D C 1.739 178.129 176.300 0.150 0.000 0.987 184 D CA 1.148 55.209 54.000 0.101 0.000 0.829 184 D CB -0.362 40.507 40.800 0.115 0.000 0.961 184 D HN 0.393 nan 8.370 nan 0.000 0.460 185 W N 1.775 123.116 121.300 0.068 0.000 2.305 185 W HA -0.269 4.391 4.660 0.000 0.000 0.308 185 W C 2.284 178.872 176.519 0.115 0.000 1.226 185 W CA 2.484 59.890 57.345 0.101 0.000 1.253 185 W CB -0.425 29.108 29.460 0.121 0.000 1.146 185 W HN -0.121 nan 8.180 nan 0.000 0.507 186 T N -0.021 114.730 114.554 0.328 0.000 2.737 186 T HA -0.274 4.076 4.350 0.000 0.000 0.265 186 T C 1.714 176.414 174.700 0.001 0.000 1.038 186 T CA 1.560 63.763 62.100 0.170 0.000 1.144 186 T CB -0.776 68.188 68.868 0.160 0.000 0.866 186 T HN 0.398 nan 8.240 nan 0.000 0.434 187 N N 1.332 120.027 118.700 -0.007 0.000 2.069 187 N HA -0.186 4.554 4.740 0.000 0.000 0.191 187 N C 1.982 177.448 175.510 -0.074 0.000 1.031 187 N CA 1.248 54.269 53.050 -0.047 0.000 0.852 187 N CB -0.300 38.162 38.487 -0.042 0.000 1.018 187 N HN 0.390 nan 8.380 nan 0.000 0.423 188 N N -0.078 118.565 118.700 -0.095 0.000 2.104 188 N HA -0.204 4.536 4.740 0.000 0.000 0.190 188 N C 1.880 177.272 175.510 -0.198 0.000 1.024 188 N CA 0.885 53.847 53.050 -0.146 0.000 0.853 188 N CB -0.319 38.073 38.487 -0.158 0.000 1.008 188 N HN 0.234 nan 8.380 nan 0.000 0.424 189 F N 1.583 121.271 119.950 -0.436 0.000 2.095 189 F HA -0.194 4.333 4.527 0.000 0.000 0.298 189 F C 2.963 178.730 175.800 -0.055 0.000 1.104 189 F CA 1.802 59.577 58.000 -0.375 0.000 1.232 189 F CB -0.791 37.755 39.000 -0.758 0.000 0.987 189 F HN -0.008 nan 8.300 nan 0.000 0.475 190 S N -0.060 115.709 115.700 0.114 0.000 2.356 190 S HA -0.147 4.323 4.470 0.000 0.000 0.223 190 S C 2.047 176.629 174.600 -0.030 0.000 1.032 190 S CA 1.276 59.501 58.200 0.041 0.000 1.005 190 S CB -0.575 62.567 63.200 -0.097 0.000 0.867 190 S HN 0.258 nan 8.310 nan 0.000 0.449 191 L N 1.662 122.834 121.223 -0.085 0.000 2.012 191 L HA -0.026 4.314 4.340 0.000 0.000 0.210 191 L C 2.539 179.326 176.870 -0.139 0.000 1.073 191 L CA 1.488 56.269 54.840 -0.099 0.000 0.748 191 L CB -1.407 40.588 42.059 -0.107 0.000 0.891 191 L HN 0.226 nan 8.230 nan 0.000 0.431 192 V N -0.856 118.910 119.914 -0.246 0.000 2.913 192 V HA -0.202 3.918 4.120 0.000 0.000 0.260 192 V C 1.594 177.336 176.094 -0.586 0.000 1.098 192 V CA 1.088 63.140 62.300 -0.415 0.000 1.121 192 V CB -0.724 30.784 31.823 -0.525 0.000 0.714 192 V HN 0.520 nan 8.190 nan 0.000 0.487 193 H N -0.608 118.346 119.070 -0.193 0.000 2.486 193 H HA 0.335 4.891 4.556 0.000 0.000 0.284 193 H C 1.669 177.054 175.328 0.094 0.000 1.103 193 H CA 0.661 56.651 56.048 -0.097 0.000 1.089 193 H CB 0.376 30.069 29.762 -0.115 0.000 1.603 193 H HN 0.422 nan 8.280 nan 0.000 0.557 194 G N 2.251 111.123 108.800 0.119 0.000 2.176 194 G HA2 -0.325 3.635 3.960 0.000 0.000 0.252 194 G HA3 -0.325 3.635 3.960 0.000 0.000 0.252 194 G C -0.174 174.934 174.900 0.346 0.000 1.024 194 G CA 0.348 45.569 45.100 0.202 0.000 0.755 194 G HN 0.588 nan 8.290 nan 0.000 0.507 195 N N -1.834 116.999 118.700 0.221 0.000 3.367 195 N HA -0.138 4.603 4.740 0.000 0.000 0.269 195 N C 0.970 176.554 175.510 0.123 0.000 1.861 195 N CA 0.797 53.922 53.050 0.124 0.000 1.994 195 N CB -1.139 37.468 38.487 0.199 0.000 0.686 195 N HN 0.452 nan 8.380 nan 0.000 0.502 196 L N 2.677 123.817 121.223 -0.138 0.000 2.353 196 L HA -0.101 4.239 4.340 0.000 0.000 0.220 196 L C 1.625 178.361 176.870 -0.223 0.000 1.133 196 L CA 0.746 55.405 54.840 -0.301 0.000 0.798 196 L CB -0.364 41.309 42.059 -0.643 0.000 0.922 196 L HN 0.456 nan 8.230 nan 0.000 0.445 197 F N -0.969 118.844 119.950 -0.228 0.000 2.449 197 F HA -0.205 4.322 4.527 0.000 0.000 0.299 197 F C 1.696 177.370 175.800 -0.210 0.000 1.092 197 F CA 0.730 58.610 58.000 -0.201 0.000 1.446 197 F CB -0.865 37.948 39.000 -0.312 0.000 1.084 197 F HN 0.120 nan 8.300 nan 0.000 0.567 198 Y N -1.217 119.259 120.300 0.293 0.000 2.458 198 Y HA 0.130 4.680 4.550 0.000 0.000 0.256 198 Y C 0.809 176.845 175.900 0.227 0.000 1.159 198 Y CA -0.685 57.613 58.100 0.331 0.000 1.261 198 Y CB -0.626 38.114 38.460 0.468 0.000 1.119 198 Y HN -0.036 nan 8.280 nan 0.000 0.524 199 N N 2.544 121.209 118.700 -0.057 0.000 2.420 199 N HA 0.081 4.821 4.740 0.000 0.000 0.249 199 N C -1.894 173.418 175.510 -0.330 0.000 1.033 199 N CA -1.715 50.867 53.050 -0.781 0.000 0.944 199 N CB 1.231 38.894 38.487 -1.374 0.000 1.113 199 N HN -0.126 nan 8.380 nan 0.000 0.502 200 P HA -0.133 nan 4.420 nan 0.000 0.218 200 P C 0.715 177.855 177.300 -0.266 0.000 1.149 200 P CA 1.139 64.127 63.100 -0.186 0.000 0.817 200 P CB 0.018 31.603 31.700 -0.191 0.000 0.785 201 F N -0.893 118.953 119.950 -0.174 0.000 2.293 201 F HA -0.124 4.403 4.527 0.000 0.000 0.300 201 F C 2.801 178.576 175.800 -0.041 0.000 1.086 201 F CA 1.120 59.075 58.000 -0.075 0.000 1.375 201 F CB -1.160 37.798 39.000 -0.069 0.000 1.045 201 F HN 0.116 nan 8.300 nan 0.000 0.516 202 H N -0.252 118.794 119.070 -0.041 0.000 2.363 202 H HA -0.034 4.522 4.556 0.000 0.000 0.301 202 H C 2.409 177.723 175.328 -0.023 0.000 1.074 202 H CA 1.376 57.407 56.048 -0.028 0.000 1.354 202 H CB -0.382 29.335 29.762 -0.075 0.000 1.397 202 H HN 0.313 nan 8.280 nan 0.000 0.516 203 G N 1.260 110.054 108.800 -0.010 0.000 2.422 203 G HA2 -0.192 3.768 3.960 0.000 0.000 0.218 203 G HA3 -0.192 3.768 3.960 0.000 0.000 0.218 203 G C 1.716 176.511 174.900 -0.175 0.000 1.146 203 G CA 0.379 45.420 45.100 -0.099 0.000 0.769 203 G HN 0.248 nan 8.290 nan 0.000 0.547 204 L N 0.995 122.151 121.223 -0.113 0.000 2.027 204 L HA 0.047 4.387 4.340 0.000 0.000 0.206 204 L C 3.022 179.892 176.870 0.000 0.000 1.074 204 L CA 1.823 56.607 54.840 -0.094 0.000 0.745 204 L CB -1.115 40.993 42.059 0.082 0.000 0.898 204 L HN 0.292 nan 8.230 nan 0.000 0.433 205 S N -0.653 115.094 115.700 0.077 0.000 2.370 205 S HA -0.162 4.308 4.470 0.000 0.000 0.226 205 S C 2.085 176.644 174.600 -0.068 0.000 1.033 205 S CA 1.226 59.491 58.200 0.107 0.000 1.011 205 S CB -0.150 63.072 63.200 0.036 0.000 0.852 205 S HN 0.358 nan 8.310 nan 0.000 0.457 206 I N 1.313 121.709 120.570 -0.291 0.000 2.179 206 I HA -0.168 4.002 4.170 0.000 0.000 0.242 206 I C 2.755 178.547 176.117 -0.543 0.000 1.088 206 I CA 1.063 62.059 61.300 -0.507 0.000 1.357 206 I CB -0.551 37.074 38.000 -0.626 0.000 1.051 206 I HN 0.366 nan 8.210 nan 0.000 0.409 207 A N 0.958 123.522 122.820 -0.426 0.000 1.883 207 A HA -0.234 4.086 4.320 0.000 0.000 0.217 207 A C 2.036 179.437 177.584 -0.304 0.000 1.186 207 A CA 1.772 53.573 52.037 -0.394 0.000 0.624 207 A CB -1.014 17.674 19.000 -0.521 0.000 0.822 207 A HN 0.350 nan 8.150 nan 0.000 0.444 208 F N -0.891 119.052 119.950 -0.012 0.000 2.186 208 F HA -0.057 4.470 4.527 0.000 0.000 0.299 208 F C 2.001 177.840 175.800 0.065 0.000 1.090 208 F CA 1.051 59.083 58.000 0.053 0.000 1.307 208 F CB -0.742 38.304 39.000 0.076 0.000 1.019 208 F HN 0.238 nan 8.300 nan 0.000 0.489 209 L N -0.988 120.332 121.223 0.163 0.000 2.027 209 L HA -0.209 4.131 4.340 0.000 0.000 0.206 209 L C 2.271 179.292 176.870 0.251 0.000 1.074 209 L CA 1.818 56.753 54.840 0.158 0.000 0.745 209 L CB -1.011 41.092 42.059 0.072 0.000 0.898 209 L HN 0.033 nan 8.230 nan 0.000 0.433 210 Y N 0.105 120.441 120.300 0.060 0.000 2.181 210 Y HA -0.045 4.505 4.550 0.000 0.000 0.288 210 Y C 2.564 178.498 175.900 0.057 0.000 1.146 210 Y CA 0.775 58.901 58.100 0.044 0.000 1.164 210 Y CB -1.624 36.839 38.460 0.005 0.000 0.982 210 Y HN 0.268 nan 8.280 nan 0.000 0.515 211 G N -1.263 107.674 108.800 0.227 0.000 2.432 211 G HA2 -0.197 3.764 3.960 0.000 0.000 0.219 211 G HA3 -0.197 3.764 3.960 0.000 0.000 0.219 211 G C 1.940 176.946 174.900 0.177 0.000 1.135 211 G CA 1.111 46.312 45.100 0.168 0.000 0.767 211 G HN 0.374 nan 8.290 nan 0.000 0.550 212 S N 0.794 116.619 115.700 0.210 0.000 2.383 212 S HA 0.043 4.513 4.470 0.000 0.000 0.227 212 S C 2.718 177.441 174.600 0.204 0.000 1.026 212 S CA 1.098 59.412 58.200 0.191 0.000 0.981 212 S CB -0.198 63.119 63.200 0.194 0.000 0.818 212 S HN 0.567 nan 8.310 nan 0.000 0.472 213 A N 1.265 124.202 122.820 0.196 0.000 1.898 213 A HA 0.090 4.410 4.320 0.000 0.000 0.214 213 A C 2.057 179.726 177.584 0.141 0.000 1.183 213 A CA 0.927 53.070 52.037 0.175 0.000 0.622 213 A CB -0.640 18.442 19.000 0.137 0.000 0.824 213 A HN 0.410 nan 8.150 nan 0.000 0.444 214 L N -0.529 120.762 121.223 0.113 0.000 2.012 214 L HA -0.148 4.192 4.340 0.000 0.000 0.210 214 L C 2.184 179.092 176.870 0.062 0.000 1.073 214 L CA 2.202 57.085 54.840 0.072 0.000 0.748 214 L CB -0.726 41.364 42.059 0.050 0.000 0.891 214 L HN 0.310 nan 8.230 nan 0.000 0.431 215 L N -1.622 119.640 121.223 0.065 0.000 2.056 215 L HA -0.131 4.209 4.340 0.000 0.000 0.207 215 L C 2.276 179.227 176.870 0.134 0.000 1.078 215 L CA 1.626 56.473 54.840 0.013 0.000 0.749 215 L CB -0.962 41.091 42.059 -0.011 0.000 0.901 215 L HN 0.278 nan 8.230 nan 0.000 0.433 216 F N 0.166 120.145 119.950 0.048 0.000 2.186 216 F HA -0.053 4.474 4.527 0.000 0.000 0.299 216 F C 2.404 178.241 175.800 0.063 0.000 1.090 216 F CA 0.710 58.757 58.000 0.078 0.000 1.307 216 F CB -1.015 38.036 39.000 0.084 0.000 1.019 216 F HN 0.194 nan 8.300 nan 0.000 0.489 217 A N -0.072 122.886 122.820 0.229 0.000 1.877 217 A HA -0.226 4.094 4.320 0.000 0.000 0.216 217 A C 2.350 180.014 177.584 0.134 0.000 1.186 217 A CA 1.807 53.915 52.037 0.118 0.000 0.620 217 A CB -0.746 18.304 19.000 0.084 0.000 0.822 217 A HN 0.363 nan 8.150 nan 0.000 0.443 218 M N -1.822 117.858 119.600 0.134 0.000 2.073 218 M HA -0.220 4.260 4.480 0.000 0.000 0.258 218 M C 2.320 178.731 176.300 0.186 0.000 1.070 218 M CA 2.288 57.676 55.300 0.147 0.000 1.103 218 M CB -0.533 31.982 32.600 -0.141 0.000 1.321 218 M HN 0.727 nan 8.290 nan 0.000 0.405 219 H N -0.325 118.785 119.070 0.067 0.000 2.333 219 H HA -0.003 4.553 4.556 0.000 0.000 0.302 219 H C 1.953 177.365 175.328 0.140 0.000 1.075 219 H CA 2.093 58.184 56.048 0.071 0.000 1.348 219 H CB -0.651 29.116 29.762 0.008 0.000 1.393 219 H HN 0.311 nan 8.280 nan 0.000 0.509 220 G N 0.070 108.954 108.800 0.140 0.000 2.440 220 G HA2 -0.288 3.672 3.960 0.000 0.000 0.218 220 G HA3 -0.288 3.672 3.960 0.000 0.000 0.218 220 G C 1.906 176.747 174.900 -0.099 0.000 1.154 220 G CA 1.141 46.216 45.100 -0.042 0.000 0.767 220 G HN 0.622 nan 8.290 nan 0.000 0.552 221 A N 0.057 122.852 122.820 -0.042 0.000 1.898 221 A HA 0.021 4.341 4.320 0.000 0.000 0.216 221 A C 2.533 180.053 177.584 -0.107 0.000 1.181 221 A CA 2.394 54.386 52.037 -0.075 0.000 0.620 221 A CB -0.884 18.093 19.000 -0.038 0.000 0.819 221 A HN 0.301 nan 8.150 nan 0.000 0.442 222 T N 0.657 115.183 114.554 -0.046 0.000 2.674 222 T HA -0.119 4.232 4.350 0.000 0.000 0.265 222 T C 1.823 176.475 174.700 -0.079 0.000 1.039 222 T CA 1.525 63.598 62.100 -0.044 0.000 1.150 222 T CB -0.316 68.661 68.868 0.183 0.000 0.864 222 T HN 0.298 nan 8.240 nan 0.000 0.427 223 I N 1.295 121.786 120.570 -0.131 0.000 2.208 223 I HA -0.118 4.053 4.170 0.000 0.000 0.245 223 I C 2.402 178.452 176.117 -0.112 0.000 1.097 223 I CA 1.368 62.590 61.300 -0.131 0.000 1.363 223 I CB -1.387 36.472 38.000 -0.235 0.000 1.051 223 I HN 0.280 nan 8.210 nan 0.000 0.413 224 L N 0.597 121.734 121.223 -0.143 0.000 2.046 224 L HA -0.175 4.165 4.340 0.000 0.000 0.208 224 L C 2.790 179.572 176.870 -0.147 0.000 1.077 224 L CA 1.386 56.133 54.840 -0.155 0.000 0.747 224 L CB -0.789 41.160 42.059 -0.183 0.000 0.896 224 L HN 0.190 nan 8.230 nan 0.000 0.432 225 A N 0.056 122.791 122.820 -0.142 0.000 1.972 225 A HA -0.127 4.193 4.320 0.000 0.000 0.219 225 A C 1.922 179.468 177.584 -0.063 0.000 1.169 225 A CA 1.788 53.744 52.037 -0.135 0.000 0.635 225 A CB -0.641 18.241 19.000 -0.196 0.000 0.810 225 A HN 0.374 nan 8.150 nan 0.000 0.446 226 V N -1.789 118.122 119.914 -0.005 0.000 3.342 226 V HA 0.145 4.265 4.120 0.000 0.000 0.322 226 V C 1.514 177.638 176.094 0.049 0.000 1.370 226 V CA 0.870 63.263 62.300 0.156 0.000 1.170 226 V CB -0.752 31.223 31.823 0.252 0.000 1.101 226 V HN 0.541 nan 8.190 nan 0.000 0.442 227 S N 2.167 117.820 115.700 -0.079 0.000 2.453 227 S HA -0.189 4.281 4.470 0.000 0.000 0.231 227 S C 1.919 176.425 174.600 -0.156 0.000 1.005 227 S CA 1.030 59.177 58.200 -0.088 0.000 0.949 227 S CB -0.676 62.464 63.200 -0.100 0.000 0.774 227 S HN 0.861 nan 8.310 nan 0.000 0.510 228 R N 0.419 120.720 120.500 -0.330 0.000 2.357 228 R HA 0.077 4.417 4.340 0.000 0.000 0.202 228 R C 0.125 176.031 176.300 -0.658 0.000 1.047 228 R CA 0.900 56.700 56.100 -0.500 0.000 1.034 228 R CB -0.733 29.173 30.300 -0.657 0.000 0.875 228 R HN 0.570 nan 8.270 nan 0.000 0.473 229 F N -0.315 119.630 119.950 -0.009 0.000 2.775 229 F HA 0.442 4.969 4.527 0.000 0.000 0.313 229 F C 1.066 176.864 175.800 -0.003 0.000 1.121 229 F CA -0.265 57.732 58.000 -0.005 0.000 1.206 229 F CB 1.420 40.415 39.000 -0.008 0.000 1.052 229 F HN 0.143 nan 8.300 nan 0.000 0.524 230 G N 0.776 109.625 108.800 0.083 0.000 2.147 230 G HA2 -0.285 3.676 3.960 0.000 0.000 0.244 230 G HA3 -0.285 3.676 3.960 0.000 0.000 0.244 230 G C 1.385 176.327 174.900 0.071 0.000 1.005 230 G CA 0.203 45.340 45.100 0.062 0.000 0.713 230 G HN 0.678 nan 8.290 nan 0.000 0.515 231 G N 1.036 109.888 108.800 0.087 0.000 2.475 231 G HA2 -0.155 3.805 3.960 0.000 0.000 0.220 231 G HA3 -0.155 3.805 3.960 0.000 0.000 0.220 231 G C 1.476 176.409 174.900 0.055 0.000 1.125 231 G CA 1.599 46.748 45.100 0.081 0.000 0.755 231 G HN 0.909 nan 8.290 nan 0.000 0.565 232 E N 0.984 121.199 120.200 0.024 0.000 2.418 232 E HA -0.069 4.281 4.350 0.000 0.000 0.197 232 E C 0.932 177.547 176.600 0.025 0.000 1.026 232 E CA 0.007 56.418 56.400 0.018 0.000 0.862 232 E CB -0.209 29.482 29.700 -0.015 0.000 0.799 232 E HN 0.319 nan 8.360 nan 0.000 0.518 233 R N 1.666 122.182 120.500 0.027 0.000 3.710 233 R HA 0.137 4.478 4.340 0.000 0.000 0.201 233 R C 0.807 177.123 176.300 0.026 0.000 1.641 233 R CA -0.001 56.110 56.100 0.019 0.000 1.390 233 R CB 0.135 30.445 30.300 0.017 0.000 1.341 233 R HN 0.260 nan 8.270 nan 0.000 0.728 234 E N 0.944 121.159 120.200 0.025 0.000 2.107 234 E HA -0.147 4.203 4.350 0.000 0.000 0.191 234 E C 1.411 178.014 176.600 0.007 0.000 0.982 234 E CA 0.855 57.282 56.400 0.045 0.000 0.809 234 E CB 0.093 29.831 29.700 0.065 0.000 0.756 234 E HN 0.460 nan 8.360 nan 0.000 0.459 235 L N 0.905 122.109 121.223 -0.031 0.000 2.012 235 L HA -0.229 4.111 4.340 0.000 0.000 0.210 235 L C 2.557 179.419 176.870 -0.013 0.000 1.073 235 L CA 1.279 56.096 54.840 -0.038 0.000 0.748 235 L CB -0.233 41.794 42.059 -0.053 0.000 0.891 235 L HN 0.094 nan 8.230 nan 0.000 0.431 236 E N -0.561 119.637 120.200 -0.003 0.000 2.208 236 E HA -0.170 4.181 4.350 0.000 0.000 0.193 236 E C 2.227 178.836 176.600 0.016 0.000 0.988 236 E CA 0.738 57.141 56.400 0.005 0.000 0.828 236 E CB 0.102 29.806 29.700 0.006 0.000 0.763 236 E HN 0.328 nan 8.360 nan 0.000 0.478 237 Q N -0.182 119.634 119.800 0.027 0.000 2.167 237 Q HA -0.102 4.239 4.340 0.000 0.000 0.202 237 Q C 2.276 178.299 176.000 0.037 0.000 0.970 237 Q CA 0.980 56.806 55.803 0.038 0.000 0.855 237 Q CB -0.035 28.737 28.738 0.057 0.000 0.911 237 Q HN 0.435 nan 8.270 nan 0.000 0.438 238 I N 0.585 121.175 120.570 0.033 0.000 2.202 238 I HA -0.243 3.927 4.170 0.000 0.000 0.242 238 I C 2.323 178.452 176.117 0.019 0.000 1.091 238 I CA 1.150 62.468 61.300 0.030 0.000 1.368 238 I CB -0.317 37.693 38.000 0.017 0.000 1.058 238 I HN 0.062 nan 8.210 nan 0.000 0.410 239 A N -0.940 121.886 122.820 0.011 0.000 2.014 239 A HA -0.153 4.167 4.320 0.000 0.000 0.218 239 A C 0.866 178.456 177.584 0.010 0.000 1.163 239 A CA 1.492 53.533 52.037 0.007 0.000 0.652 239 A CB -0.067 18.934 19.000 0.001 0.000 0.808 239 A HN 0.422 nan 8.150 nan 0.000 0.449 240 D N -1.295 119.113 120.400 0.014 0.000 2.752 240 D HA 0.111 4.751 4.640 0.000 0.000 0.242 240 D C -0.395 175.915 176.300 0.017 0.000 1.295 240 D CA -0.444 53.564 54.000 0.014 0.000 0.846 240 D CB -0.124 40.683 40.800 0.011 0.000 1.454 240 D HN 0.252 nan 8.370 nan 0.000 0.535 241 R N 0.932 121.443 120.500 0.018 0.000 2.481 241 R HA 0.281 4.622 4.340 0.000 0.000 0.291 241 R C 0.331 176.637 176.300 0.009 0.000 0.934 241 R CA 0.816 56.927 56.100 0.017 0.000 1.116 241 R CB 0.237 30.546 30.300 0.016 0.000 0.895 241 R HN 0.369 nan 8.270 nan 0.000 0.410 242 G N 0.849 109.654 108.800 0.008 0.000 2.667 242 G HA2 0.099 4.060 3.960 0.000 0.000 0.310 242 G HA3 0.099 4.060 3.960 0.000 0.000 0.310 242 G C 0.457 175.331 174.900 -0.045 0.000 1.259 242 G CA -0.296 44.802 45.100 -0.004 0.000 1.019 242 G HN 0.580 nan 8.290 nan 0.000 0.496 243 T N -0.376 114.125 114.554 -0.088 0.000 2.929 243 T HA -0.058 4.293 4.350 0.000 0.000 0.271 243 T C 2.551 177.071 174.700 -0.299 0.000 1.085 243 T CA 2.324 64.293 62.100 -0.219 0.000 1.125 243 T CB -0.525 68.160 68.868 -0.305 0.000 0.874 243 T HN 0.659 nan 8.240 nan 0.000 0.494 244 A N 1.167 123.913 122.820 -0.125 0.000 1.865 244 A HA 0.117 4.438 4.320 0.000 0.000 0.217 244 A C 2.728 180.310 177.584 -0.004 0.000 1.191 244 A CA 2.133 54.180 52.037 0.017 0.000 0.623 244 A CB -1.406 17.693 19.000 0.166 0.000 0.826 244 A HN 0.645 nan 8.150 nan 0.000 0.444 245 A N -0.604 122.220 122.820 0.007 0.000 1.969 245 A HA -0.132 4.188 4.320 0.000 0.000 0.218 245 A C 1.923 179.500 177.584 -0.012 0.000 1.169 245 A CA 1.593 53.645 52.037 0.025 0.000 0.635 245 A CB -0.452 18.572 19.000 0.040 0.000 0.810 245 A HN 0.673 nan 8.150 nan 0.000 0.445 246 E N -0.448 119.714 120.200 -0.064 0.000 2.072 246 E HA -0.130 4.220 4.350 0.000 0.000 0.190 246 E C 2.313 178.819 176.600 -0.156 0.000 0.982 246 E CA 0.860 57.202 56.400 -0.097 0.000 0.803 246 E CB -0.153 29.483 29.700 -0.108 0.000 0.755 246 E HN 0.555 nan 8.360 nan 0.000 0.453 247 R N 0.802 121.183 120.500 -0.199 0.000 2.092 247 R HA -0.066 4.274 4.340 0.000 0.000 0.231 247 R C 2.409 178.623 176.300 -0.142 0.000 1.119 247 R CA 1.043 57.006 56.100 -0.229 0.000 0.970 247 R CB -0.337 29.797 30.300 -0.277 0.000 0.864 247 R HN 0.084 nan 8.270 nan 0.000 0.440 248 A N 1.642 124.433 122.820 -0.049 0.000 1.865 248 A HA -0.173 4.147 4.320 0.000 0.000 0.217 248 A C 2.439 180.099 177.584 0.127 0.000 1.191 248 A CA 1.877 53.948 52.037 0.056 0.000 0.623 248 A CB -0.847 18.216 19.000 0.105 0.000 0.826 248 A HN 0.398 nan 8.150 nan 0.000 0.444 249 A N -0.552 122.302 122.820 0.057 0.000 1.908 249 A HA -0.055 4.265 4.320 0.000 0.000 0.218 249 A C 2.182 179.730 177.584 -0.060 0.000 1.181 249 A CA 1.603 53.672 52.037 0.053 0.000 0.627 249 A CB -0.590 18.418 19.000 0.014 0.000 0.818 249 A HN 0.483 nan 8.150 nan 0.000 0.445 250 L N -2.157 118.912 121.223 -0.256 0.000 2.156 250 L HA -0.073 4.267 4.340 0.000 0.000 0.208 250 L C 2.397 178.804 176.870 -0.772 0.000 1.095 250 L CA 1.017 55.469 54.840 -0.647 0.000 0.770 250 L CB -0.475 41.013 42.059 -0.951 0.000 0.914 250 L HN 0.515 nan 8.230 nan 0.000 0.439 251 F N 0.189 119.786 119.950 -0.589 0.000 2.091 251 F HA -0.280 4.247 4.527 0.000 0.000 0.299 251 F C 1.963 177.453 175.800 -0.515 0.000 1.103 251 F CA 1.781 59.440 58.000 -0.569 0.000 1.228 251 F CB -0.403 38.215 39.000 -0.637 0.000 0.984 251 F HN -0.011 nan 8.300 nan 0.000 0.477 252 W N 0.254 121.518 121.300 -0.060 0.000 2.418 252 W HA 0.009 4.669 4.660 0.000 0.000 0.292 252 W C 2.793 179.184 176.519 -0.212 0.000 1.213 252 W CA 1.033 58.294 57.345 -0.139 0.000 1.283 252 W CB -0.480 28.909 29.460 -0.117 0.000 1.119 252 W HN -0.121 nan 8.180 nan 0.000 0.542 253 R N -0.221 120.283 120.500 0.006 0.000 2.073 253 R HA -0.192 4.148 4.340 0.000 0.000 0.234 253 R C 1.934 178.340 176.300 0.176 0.000 1.134 253 R CA 2.103 58.244 56.100 0.069 0.000 0.952 253 R CB -0.684 29.647 30.300 0.052 0.000 0.850 253 R HN 0.109 nan 8.270 nan 0.000 0.433 254 W N 0.288 121.511 121.300 -0.130 0.000 2.402 254 W HA -0.010 4.650 4.660 0.000 0.000 0.286 254 W C 2.145 178.531 176.519 -0.222 0.000 1.221 254 W CA 1.010 58.252 57.345 -0.172 0.000 1.257 254 W CB -1.090 28.239 29.460 -0.218 0.000 1.120 254 W HN 0.134 nan 8.180 nan 0.000 0.551 255 T N 0.728 115.203 114.554 -0.131 0.000 2.698 255 T HA -0.114 4.236 4.350 0.000 0.000 0.260 255 T C 1.680 176.386 174.700 0.009 0.000 1.044 255 T CA 1.962 63.947 62.100 -0.192 0.000 1.149 255 T CB -0.277 68.285 68.868 -0.511 0.000 0.864 255 T HN 0.197 nan 8.240 nan 0.000 0.419 256 M N -0.908 118.745 119.600 0.088 0.000 2.300 256 M HA 0.598 5.078 4.480 0.000 0.000 0.313 256 M C 1.261 177.708 176.300 0.246 0.000 0.988 256 M CA 0.227 55.624 55.300 0.161 0.000 1.012 256 M CB 1.051 33.756 32.600 0.175 0.000 1.586 256 M HN 0.295 nan 8.290 nan 0.000 0.562 257 G N 2.125 111.049 108.800 0.206 0.000 2.176 257 G HA2 -0.260 3.700 3.960 0.000 0.000 0.253 257 G HA3 -0.260 3.700 3.960 0.000 0.000 0.253 257 G C -0.226 174.898 174.900 0.373 0.000 0.979 257 G CA 0.461 45.716 45.100 0.259 0.000 0.641 257 G HN 0.848 nan 8.290 nan 0.000 0.530 258 F N -0.509 119.501 119.950 0.100 0.000 2.779 258 F HA 0.762 5.290 4.527 0.000 0.000 0.316 258 F C -0.867 174.994 175.800 0.101 0.000 1.164 258 F CA -1.197 56.857 58.000 0.090 0.000 0.924 258 F CB 0.679 39.721 39.000 0.070 0.000 1.348 258 F HN 0.446 nan 8.300 nan 0.000 0.467 259 N N 1.023 119.712 118.700 -0.019 0.000 3.106 259 N HA 0.721 5.461 4.740 0.000 0.000 0.253 259 N C -1.863 173.671 175.510 0.040 0.000 1.506 259 N CA -0.609 52.384 53.050 -0.095 0.000 0.876 259 N CB 1.801 40.308 38.487 0.035 0.000 1.452 259 N HN 1.108 nan 8.380 nan 0.000 0.542 260 A N -0.104 122.731 122.820 0.025 0.000 2.373 260 A HA 0.825 5.145 4.320 0.000 0.000 0.291 260 A C 0.073 177.726 177.584 0.115 0.000 1.171 260 A CA -0.197 51.913 52.037 0.122 0.000 0.922 260 A CB 0.618 19.663 19.000 0.075 0.000 1.400 260 A HN 0.853 nan 8.150 nan 0.000 0.474 261 T N -3.267 111.364 114.554 0.128 0.000 2.949 261 T HA 0.438 4.788 4.350 0.000 0.000 0.287 261 T C 0.945 175.713 174.700 0.113 0.000 1.034 261 T CA -0.067 62.096 62.100 0.105 0.000 1.018 261 T CB 0.893 69.818 68.868 0.095 0.000 1.135 261 T HN 0.475 nan 8.240 nan 0.000 0.532 262 M N 0.401 120.073 119.600 0.120 0.000 2.108 262 M HA -0.044 4.436 4.480 0.000 0.000 0.261 262 M C 2.157 178.590 176.300 0.222 0.000 1.066 262 M CA 1.838 57.239 55.300 0.169 0.000 1.107 262 M CB -0.828 31.857 32.600 0.140 0.000 1.356 262 M HN 0.902 nan 8.290 nan 0.000 0.406 263 E N -1.416 118.873 120.200 0.148 0.000 2.046 263 E HA -0.094 4.256 4.350 0.000 0.000 0.190 263 E C 1.924 178.611 176.600 0.145 0.000 0.982 263 E CA 1.123 57.607 56.400 0.140 0.000 0.800 263 E CB -0.465 29.276 29.700 0.068 0.000 0.756 263 E HN 0.615 nan 8.360 nan 0.000 0.449 264 G N 1.223 110.092 108.800 0.115 0.000 2.448 264 G HA2 -0.219 3.741 3.960 0.000 0.000 0.218 264 G HA3 -0.219 3.741 3.960 0.000 0.000 0.218 264 G C 1.501 176.494 174.900 0.154 0.000 1.135 264 G CA 0.458 45.622 45.100 0.106 0.000 0.784 264 G HN 0.283 nan 8.290 nan 0.000 0.543 265 I N 1.116 121.746 120.570 0.100 0.000 2.248 265 I HA -0.189 3.981 4.170 0.000 0.000 0.248 265 I C 2.331 178.298 176.117 -0.250 0.000 1.107 265 I CA 1.231 62.490 61.300 -0.069 0.000 1.373 265 I CB -0.499 37.312 38.000 -0.315 0.000 1.055 265 I HN 0.312 nan 8.210 nan 0.000 0.418 266 H N -0.372 118.643 119.070 -0.091 0.000 2.491 266 H HA 0.029 4.586 4.556 0.000 0.000 0.290 266 H C 2.265 177.567 175.328 -0.044 0.000 1.050 266 H CA 1.173 57.144 56.048 -0.128 0.000 1.309 266 H CB -0.080 29.606 29.762 -0.126 0.000 1.392 266 H HN 0.313 nan 8.280 nan 0.000 0.554 267 R N -0.602 119.950 120.500 0.088 0.000 2.075 267 R HA -0.101 4.239 4.340 0.000 0.000 0.226 267 R C 1.613 178.019 176.300 0.176 0.000 1.114 267 R CA 1.136 57.309 56.100 0.122 0.000 0.972 267 R CB -0.334 30.009 30.300 0.070 0.000 0.869 267 R HN 0.377 nan 8.270 nan 0.000 0.437 268 W N 1.376 122.713 121.300 0.062 0.000 2.338 268 W HA -0.188 4.472 4.660 0.000 0.000 0.304 268 W C 2.610 179.139 176.519 0.018 0.000 1.212 268 W CA 1.307 58.683 57.345 0.053 0.000 1.264 268 W CB -0.336 29.105 29.460 -0.032 0.000 1.142 268 W HN 0.185 nan 8.180 nan 0.000 0.512 269 A N 0.189 123.083 122.820 0.124 0.000 1.865 269 A HA -0.242 4.078 4.320 0.000 0.000 0.217 269 A C 1.940 179.516 177.584 -0.014 0.000 1.191 269 A CA 1.881 53.889 52.037 -0.049 0.000 0.623 269 A CB -1.084 17.754 19.000 -0.269 0.000 0.826 269 A HN 0.370 nan 8.150 nan 0.000 0.444 270 I N -2.387 118.172 120.570 -0.020 0.000 2.394 270 I HA -0.229 3.942 4.170 0.000 0.000 0.251 270 I C 2.218 178.244 176.117 -0.152 0.000 1.136 270 I CA 1.270 62.504 61.300 -0.111 0.000 1.425 270 I CB -0.077 37.822 38.000 -0.167 0.000 1.079 270 I HN 0.612 nan 8.210 nan 0.000 0.425 271 W N -0.166 121.131 121.300 -0.006 0.000 2.453 271 W HA -0.144 4.516 4.660 0.000 0.000 0.289 271 W C 2.420 178.895 176.519 -0.074 0.000 1.215 271 W CA 0.660 57.975 57.345 -0.050 0.000 1.297 271 W CB -0.256 29.158 29.460 -0.076 0.000 1.113 271 W HN 0.114 nan 8.180 nan 0.000 0.551 272 M N 1.138 120.889 119.600 0.253 0.000 2.082 272 M HA -0.167 4.313 4.480 0.000 0.000 0.258 272 M C 2.109 178.495 176.300 0.142 0.000 1.069 272 M CA 2.513 57.959 55.300 0.244 0.000 1.102 272 M CB -0.937 31.829 32.600 0.277 0.000 1.336 272 M HN -0.037 nan 8.290 nan 0.000 0.404 273 A N -0.637 122.234 122.820 0.086 0.000 1.858 273 A HA -0.120 4.200 4.320 0.000 0.000 0.216 273 A C 2.195 179.794 177.584 0.026 0.000 1.190 273 A CA 2.540 54.613 52.037 0.061 0.000 0.617 273 A CB -1.730 17.286 19.000 0.027 0.000 0.827 273 A HN 0.734 nan 8.150 nan 0.000 0.443 274 V N -1.938 117.952 119.914 -0.040 0.000 2.759 274 V HA -0.080 4.040 4.120 0.000 0.000 0.256 274 V C 2.093 178.164 176.094 -0.038 0.000 1.080 274 V CA 1.828 64.097 62.300 -0.052 0.000 1.101 274 V CB -0.796 30.923 31.823 -0.173 0.000 0.698 274 V HN 0.422 nan 8.190 nan 0.000 0.477 275 L N -0.302 120.847 121.223 -0.124 0.000 2.376 275 L HA -0.034 4.306 4.340 0.000 0.000 0.219 275 L C 2.587 179.388 176.870 -0.114 0.000 1.133 275 L CA 0.766 55.431 54.840 -0.291 0.000 0.816 275 L CB -0.417 41.025 42.059 -1.029 0.000 0.933 275 L HN 0.248 nan 8.230 nan 0.000 0.449 276 V N 0.189 120.128 119.914 0.042 0.000 2.219 276 V HA -0.357 3.763 4.120 0.000 0.000 0.248 276 V C 2.615 178.805 176.094 0.161 0.000 1.053 276 V CA 2.716 65.122 62.300 0.176 0.000 1.009 276 V CB -1.037 30.881 31.823 0.159 0.000 0.636 276 V HN 0.673 nan 8.190 nan 0.000 0.445 277 T N -2.515 112.128 114.554 0.149 0.000 3.067 277 T HA 0.092 4.442 4.350 0.000 0.000 0.261 277 T C 1.813 176.698 174.700 0.308 0.000 1.110 277 T CA 0.643 62.858 62.100 0.192 0.000 1.113 277 T CB -0.170 68.807 68.868 0.181 0.000 0.917 277 T HN 0.297 nan 8.240 nan 0.000 0.499 278 L N 1.857 123.227 121.223 0.245 0.000 2.005 278 L HA -0.069 4.271 4.340 0.000 0.000 0.207 278 L C 3.333 180.391 176.870 0.312 0.000 1.072 278 L CA 1.940 56.932 54.840 0.254 0.000 0.744 278 L CB -1.032 41.063 42.059 0.061 0.000 0.895 278 L HN 0.484 nan 8.230 nan 0.000 0.433 279 T N -3.111 111.602 114.554 0.265 0.000 2.777 279 T HA -0.097 4.253 4.350 0.000 0.000 0.266 279 T C 1.925 176.799 174.700 0.289 0.000 1.040 279 T CA 0.939 63.259 62.100 0.366 0.000 1.141 279 T CB -1.044 68.118 68.868 0.490 0.000 0.868 279 T HN 0.387 nan 8.240 nan 0.000 0.444 280 G N 1.616 110.555 108.800 0.232 0.000 2.491 280 G HA2 -0.032 3.928 3.960 0.000 0.000 0.218 280 G HA3 -0.032 3.928 3.960 0.000 0.000 0.218 280 G C 1.768 176.710 174.900 0.071 0.000 1.180 280 G CA 0.807 45.994 45.100 0.145 0.000 0.774 280 G HN 0.676 nan 8.290 nan 0.000 0.562 281 G N 0.651 109.492 108.800 0.067 0.000 2.432 281 G HA2 -0.117 3.844 3.960 0.000 0.000 0.219 281 G HA3 -0.117 3.844 3.960 0.000 0.000 0.219 281 G C 1.784 176.613 174.900 -0.119 0.000 1.135 281 G CA 0.790 45.723 45.100 -0.278 0.000 0.767 281 G HN 0.465 nan 8.290 nan 0.000 0.550 282 I N 1.145 121.818 120.570 0.171 0.000 2.202 282 I HA -0.057 4.113 4.170 0.000 0.000 0.242 282 I C 3.105 179.103 176.117 -0.200 0.000 1.091 282 I CA 1.027 62.294 61.300 -0.055 0.000 1.368 282 I CB -0.482 37.236 38.000 -0.471 0.000 1.058 282 I HN 0.225 nan 8.210 nan 0.000 0.410 283 G N 1.480 110.201 108.800 -0.133 0.000 2.440 283 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 283 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 283 G C 1.577 176.512 174.900 0.058 0.000 1.154 283 G CA 0.618 45.711 45.100 -0.012 0.000 0.767 283 G HN 0.186 nan 8.290 nan 0.000 0.552 284 I N 0.499 121.079 120.570 0.016 0.000 2.252 284 I HA -0.052 4.118 4.170 0.000 0.000 0.245 284 I C 2.626 178.790 176.117 0.078 0.000 1.102 284 I CA 0.638 61.958 61.300 0.033 0.000 1.385 284 I CB -1.212 36.716 38.000 -0.120 0.000 1.064 284 I HN 0.154 nan 8.210 nan 0.000 0.414 285 L N 0.730 121.940 121.223 -0.022 0.000 2.131 285 L HA -0.127 4.213 4.340 0.000 0.000 0.210 285 L C 2.239 179.144 176.870 0.057 0.000 1.092 285 L CA 1.682 56.513 54.840 -0.016 0.000 0.759 285 L CB -0.514 41.504 42.059 -0.068 0.000 0.903 285 L HN 0.124 nan 8.230 nan 0.000 0.435 286 L N -1.314 119.973 121.223 0.107 0.000 2.313 286 L HA 0.016 4.356 4.340 0.000 0.000 0.214 286 L C 0.946 177.898 176.870 0.137 0.000 1.119 286 L CA -0.009 54.915 54.840 0.140 0.000 0.809 286 L CB -0.312 41.897 42.059 0.250 0.000 0.933 286 L HN 0.037 nan 8.230 nan 0.000 0.449 287 S N 0.284 116.113 115.700 0.215 0.000 2.430 287 S HA 0.362 4.832 4.470 0.000 0.000 0.282 287 S C 1.066 175.599 174.600 -0.112 0.000 1.186 287 S CA 0.513 58.767 58.200 0.089 0.000 1.060 287 S CB 0.690 63.982 63.200 0.154 0.000 0.966 287 S HN 0.569 nan 8.310 nan 0.000 0.501 288 G N 3.184 111.946 108.800 -0.064 0.000 2.268 288 G HA2 -0.352 3.608 3.960 0.000 0.000 0.240 288 G HA3 -0.352 3.608 3.960 0.000 0.000 0.240 288 G C 1.051 175.948 174.900 -0.006 0.000 1.010 288 G CA 0.764 45.887 45.100 0.039 0.000 0.618 288 G HN 0.793 nan 8.290 nan 0.000 0.516 289 T N -2.299 112.247 114.554 -0.013 0.000 2.939 289 T HA 0.403 4.753 4.350 0.000 0.000 0.254 289 T C 2.054 176.737 174.700 -0.028 0.000 1.041 289 T CA 2.019 64.110 62.100 -0.014 0.000 1.142 289 T CB 0.237 69.106 68.868 0.002 0.000 0.874 289 T HN 0.642 nan 8.240 nan 0.000 0.452 290 V N 0.060 119.946 119.914 -0.047 0.000 3.250 290 V HA 0.382 4.502 4.120 0.000 0.000 0.240 290 V C 0.212 176.225 176.094 -0.134 0.000 1.275 290 V CA -0.087 62.179 62.300 -0.056 0.000 1.206 290 V CB 1.220 33.029 31.823 -0.022 0.000 0.976 290 V HN 0.313 nan 8.190 nan 0.000 0.467 291 V N 1.154 120.905 119.914 -0.271 0.000 2.407 291 V HA 0.414 4.534 4.120 0.000 0.000 0.291 291 V C 0.245 176.101 176.094 -0.397 0.000 1.018 291 V CA -0.398 61.603 62.300 -0.499 0.000 0.842 291 V CB 1.624 32.669 31.823 -1.297 0.000 0.996 291 V HN 0.262 nan 8.190 nan 0.000 0.426 292 D N 2.346 122.602 120.400 -0.239 0.000 2.249 292 D HA 0.020 4.660 4.640 0.000 0.000 0.205 292 D C 0.654 176.879 176.300 -0.125 0.000 0.962 292 D CA 1.081 55.005 54.000 -0.127 0.000 0.860 292 D CB 0.388 41.129 40.800 -0.099 0.000 0.955 292 D HN 0.503 nan 8.370 nan 0.000 0.505 293 N N -0.539 118.046 118.700 -0.191 0.000 2.571 293 N HA 0.000 4.740 4.740 0.000 0.000 0.286 293 N C -0.136 175.368 175.510 -0.011 0.000 1.138 293 N CA -0.388 52.635 53.050 -0.044 0.000 0.859 293 N CB 0.415 38.915 38.487 0.023 0.000 1.414 293 N HN -0.120 nan 8.380 nan 0.000 0.529 294 W N 1.873 123.315 121.300 0.236 0.000 2.363 294 W HA -0.123 4.537 4.660 0.000 0.000 0.296 294 W C 1.845 178.577 176.519 0.355 0.000 1.212 294 W CA 0.639 58.169 57.345 0.309 0.000 1.260 294 W CB -0.297 29.338 29.460 0.291 0.000 1.131 294 W HN 0.678 nan 8.180 nan 0.000 0.530 295 Y N 0.637 121.122 120.300 0.308 0.000 2.165 295 Y HA -0.289 4.261 4.550 0.000 0.000 0.286 295 Y C 2.199 178.063 175.900 -0.059 0.000 1.155 295 Y CA 2.091 60.097 58.100 -0.156 0.000 1.164 295 Y CB -0.810 37.502 38.460 -0.246 0.000 0.978 295 Y HN -0.217 nan 8.280 nan 0.000 0.513 296 V N -0.653 119.280 119.914 0.032 0.000 2.295 296 V HA -0.304 3.816 4.120 0.000 0.000 0.246 296 V C 2.110 178.175 176.094 -0.049 0.000 1.049 296 V CA 2.010 64.268 62.300 -0.069 0.000 1.024 296 V CB -1.148 30.695 31.823 0.032 0.000 0.648 296 V HN 0.719 nan 8.190 nan 0.000 0.447 297 W N 1.447 122.688 121.300 -0.099 0.000 2.318 297 W HA -0.190 4.470 4.660 0.000 0.000 0.313 297 W C 2.315 178.850 176.519 0.027 0.000 1.221 297 W CA 2.146 59.463 57.345 -0.047 0.000 1.266 297 W CB -0.728 28.683 29.460 -0.082 0.000 1.150 297 W HN 0.259 nan 8.180 nan 0.000 0.496 298 G N -0.448 108.532 108.800 0.300 0.000 2.470 298 G HA2 -0.257 3.703 3.960 0.000 0.000 0.220 298 G HA3 -0.257 3.703 3.960 0.000 0.000 0.220 298 G C 1.395 176.167 174.900 -0.214 0.000 1.121 298 G CA 0.856 46.040 45.100 0.141 0.000 0.766 298 G HN 0.291 nan 8.290 nan 0.000 0.553 299 Q N 0.506 120.087 119.800 -0.364 0.000 2.187 299 Q HA 0.021 4.361 4.340 0.000 0.000 0.199 299 Q C 1.885 177.647 176.000 -0.398 0.000 0.957 299 Q CA 0.617 56.165 55.803 -0.425 0.000 0.857 299 Q CB -0.179 28.290 28.738 -0.448 0.000 0.929 299 Q HN 0.502 nan 8.270 nan 0.000 0.453 300 N N -0.087 118.389 118.700 -0.374 0.000 2.398 300 N HA -0.059 4.682 4.740 0.000 0.000 0.188 300 N C -0.111 175.174 175.510 -0.375 0.000 1.122 300 N CA 0.088 52.931 53.050 -0.345 0.000 0.866 300 N CB 0.192 38.502 38.487 -0.293 0.000 0.970 300 N HN 0.256 nan 8.380 nan 0.000 0.462 301 H N -0.453 118.309 119.070 -0.514 0.000 3.857 301 H HA -0.190 4.366 4.556 0.000 0.000 0.214 301 H C 0.969 175.616 175.328 -1.135 0.000 0.983 301 H CA 1.481 57.124 56.048 -0.674 0.000 1.216 301 H CB -1.198 28.364 29.762 -0.334 0.000 1.161 301 H HN 0.478 nan 8.280 nan 0.000 0.327 302 G N -1.637 106.626 108.800 -0.894 0.000 5.338 302 G HA2 0.651 4.612 3.960 0.000 0.000 0.198 302 G HA3 0.651 4.612 3.960 0.000 0.000 0.198 302 G C -0.081 174.594 174.900 -0.374 0.000 0.708 302 G CA 0.744 45.437 45.100 -0.679 0.000 0.626 302 G HN 0.652 nan 8.290 nan 0.000 0.419 303 M N 0.000 119.339 119.600 -0.436 0.000 2.572 303 M HA 0.000 4.480 4.480 0.000 0.000 0.227 303 M CA 0.000 nan 55.300 nan 0.000 0.988 303 M CB 0.000 nan 32.600 nan 0.000 1.302 303 M HN 0.000 nan 8.290 nan 0.000 0.411