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 3ef6_1_A DATA FIRST_RESID 3 DATA SEQUENCE THVAIIGNGV GGFTTAQALR AEGFEGRISL IGDEPHLPYD RPSLSKAVLD DATA SEQUENCE GSLERPPILA EADWYGEARI DMLTGPEVTA LDVQTRTISL DDGTTLSADA DATA SEQUENCE IVIATGSRAR TMALPGSQLP GVVTLRTYGD VQVLRDSWTS ATRLLIVGGG DATA SEQUENCE LIGCEVATTA RKLGLSVTIL EAGDELLVRV LGRRIGAWLR GLLTELGVQV DATA SEQUENCE ELGTGVVGFS GEGQLEQVMA SDGRSFVADS ALICVGAEPA DQLARQAGLA DATA SEQUENCE CDRGVIVDHC GATLAKGVFA VGDVASWPLR AGGRRSLETY MNAQRQAAAV DATA SEQUENCE AAAILGKNVS APQLPVSWTE IAGHRMQMAG DIEGPGDFVS RGMPGSGAAL DATA SEQUENCE LFRLQERRIQ AVVAVDAPRD FALATRLVEA RAAIEPARLA DLSNSMRDFV 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.921 174.700 0.369 0.000 1.109 3 T CA 0.000 62.264 62.100 0.274 0.000 1.349 3 T CB 0.000 68.945 68.868 0.129 0.000 0.612 4 H N 1.281 120.483 119.070 0.220 0.000 2.689 4 H HA 0.668 5.225 4.556 0.001 0.000 0.346 4 H C -1.675 173.740 175.328 0.145 0.000 1.037 4 H CA -0.492 55.669 56.048 0.188 0.000 1.234 4 H CB 1.799 31.622 29.762 0.103 0.000 1.572 4 H HN 0.126 nan 8.280 nan 0.000 0.524 5 V N 3.994 123.903 119.914 -0.009 0.000 2.417 5 V HA 0.536 4.656 4.120 0.001 0.000 0.291 5 V C -0.052 175.854 176.094 -0.313 0.000 1.024 5 V CA -0.628 61.551 62.300 -0.201 0.000 0.861 5 V CB 1.139 32.849 31.823 -0.189 0.000 0.985 5 V HN 0.856 nan 8.190 nan 0.000 0.436 6 A N 6.274 128.902 122.820 -0.320 0.000 2.303 6 A HA 0.872 5.192 4.320 0.001 0.000 0.320 6 A C -0.695 176.850 177.584 -0.064 0.000 1.192 6 A CA -0.473 51.455 52.037 -0.183 0.000 0.821 6 A CB 0.538 19.427 19.000 -0.185 0.000 1.188 6 A HN 0.787 nan 8.150 nan 0.000 0.492 7 I N 3.432 123.995 120.570 -0.013 0.000 2.355 7 I HA 0.289 4.460 4.170 0.001 0.000 0.288 7 I C -0.586 175.546 176.117 0.026 0.000 0.999 7 I CA -0.195 61.111 61.300 0.010 0.000 1.163 7 I CB 1.518 39.531 38.000 0.021 0.000 1.316 7 I HN 0.507 nan 8.210 nan 0.000 0.454 8 I N 6.489 127.075 120.570 0.027 0.000 2.281 8 I HA 0.533 4.703 4.170 0.001 0.000 0.293 8 I C 0.626 176.763 176.117 0.034 0.000 1.085 8 I CA -0.109 61.209 61.300 0.029 0.000 1.257 8 I CB 0.420 38.435 38.000 0.025 0.000 1.430 8 I HN 0.838 nan 8.210 nan 0.000 0.489 9 G N 5.016 113.838 108.800 0.036 0.000 2.885 9 G HA2 -0.156 3.804 3.960 0.001 0.000 0.685 9 G HA3 -0.156 3.804 3.960 0.001 0.000 0.685 9 G C -0.575 174.354 174.900 0.048 0.000 1.216 9 G CA -0.758 44.364 45.100 0.036 0.000 0.790 9 G HN 0.789 nan 8.290 nan 0.000 0.631 10 N N 0.578 119.307 118.700 0.048 0.000 2.517 10 N HA 0.429 5.169 4.740 0.001 0.000 0.285 10 N C 0.880 176.419 175.510 0.049 0.000 1.528 10 N CA 0.497 53.596 53.050 0.081 0.000 0.892 10 N CB 0.588 39.125 38.487 0.084 0.000 1.356 10 N HN 1.059 nan 8.380 nan 0.000 0.495 11 G N -0.372 108.426 108.800 -0.003 0.000 2.553 11 G HA2 0.205 4.165 3.960 0.001 0.000 0.278 11 G HA3 0.205 4.165 3.960 0.001 0.000 0.278 11 G C 0.974 175.875 174.900 0.001 0.000 1.349 11 G CA -0.134 44.921 45.100 -0.076 0.000 1.037 11 G HN 0.070 nan 8.290 nan 0.000 0.508 12 V N 0.768 120.651 119.914 -0.051 0.000 2.370 12 V HA -0.156 3.964 4.120 0.001 0.000 0.252 12 V C 2.721 178.815 176.094 -0.000 0.000 1.068 12 V CA 3.302 65.573 62.300 -0.048 0.000 1.061 12 V CB -1.026 30.614 31.823 -0.304 0.000 0.656 12 V HN 0.860 nan 8.190 nan 0.000 0.455 13 G N -0.597 108.181 108.800 -0.037 0.000 2.545 13 G HA2 -0.222 3.738 3.960 0.001 0.000 0.217 13 G HA3 -0.222 3.738 3.960 0.001 0.000 0.217 13 G C 1.597 176.509 174.900 0.021 0.000 1.218 13 G CA 0.935 46.020 45.100 -0.026 0.000 0.787 13 G HN 0.714 nan 8.290 nan 0.000 0.571 14 G N 0.149 108.982 108.800 0.055 0.000 2.402 14 G HA2 -0.139 3.822 3.960 0.001 0.000 0.216 14 G HA3 -0.139 3.822 3.960 0.001 0.000 0.216 14 G C 1.654 176.620 174.900 0.111 0.000 1.162 14 G CA 0.967 46.110 45.100 0.071 0.000 0.777 14 G HN 0.380 nan 8.290 nan 0.000 0.539 15 F N 2.338 122.314 119.950 0.043 0.000 2.069 15 F HA -0.144 4.384 4.527 0.001 0.000 0.298 15 F C 2.807 178.653 175.800 0.077 0.000 1.113 15 F CA 2.350 60.416 58.000 0.109 0.000 1.214 15 F CB -0.625 38.432 39.000 0.095 0.000 0.978 15 F HN 0.116 nan 8.300 nan 0.000 0.474 16 T N -0.448 114.117 114.554 0.019 0.000 2.833 16 T HA -0.167 4.183 4.350 0.001 0.000 0.269 16 T C 1.818 176.432 174.700 -0.144 0.000 1.054 16 T CA 1.808 63.833 62.100 -0.126 0.000 1.135 16 T CB -0.711 68.142 68.868 -0.025 0.000 0.869 16 T HN 0.354 nan 8.240 nan 0.000 0.466 17 T N 2.104 116.605 114.554 -0.089 0.000 2.708 17 T HA -0.055 4.295 4.350 0.001 0.000 0.266 17 T C 2.462 177.107 174.700 -0.091 0.000 1.037 17 T CA 1.234 63.281 62.100 -0.088 0.000 1.146 17 T CB -0.597 68.231 68.868 -0.066 0.000 0.865 17 T HN 0.465 nan 8.240 nan 0.000 0.435 18 A N 1.130 123.907 122.820 -0.071 0.000 1.877 18 A HA -0.183 4.138 4.320 0.001 0.000 0.216 18 A C 2.300 179.885 177.584 0.002 0.000 1.186 18 A CA 1.895 53.924 52.037 -0.015 0.000 0.620 18 A CB -0.811 18.220 19.000 0.051 0.000 0.822 18 A HN 0.550 nan 8.150 nan 0.000 0.443 19 Q N -0.703 119.027 119.800 -0.116 0.000 2.061 19 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 19 Q C 2.242 178.241 176.000 -0.003 0.000 0.984 19 Q CA 1.686 57.461 55.803 -0.047 0.000 0.846 19 Q CB -0.312 28.173 28.738 -0.422 0.000 0.902 19 Q HN 0.629 nan 8.270 nan 0.000 0.421 20 A N 0.502 123.286 122.820 -0.060 0.000 1.898 20 A HA -0.124 4.196 4.320 0.001 0.000 0.216 20 A C 2.050 179.627 177.584 -0.012 0.000 1.181 20 A CA 0.886 52.901 52.037 -0.037 0.000 0.620 20 A CB -0.642 18.320 19.000 -0.064 0.000 0.819 20 A HN 0.423 nan 8.150 nan 0.000 0.442 21 L N -0.833 120.376 121.223 -0.024 0.000 2.013 21 L HA -0.235 4.105 4.340 0.001 0.000 0.212 21 L C 2.904 179.853 176.870 0.131 0.000 1.073 21 L CA 1.361 56.203 54.840 0.004 0.000 0.753 21 L CB -0.444 41.574 42.059 -0.068 0.000 0.890 21 L HN 0.291 nan 8.230 nan 0.000 0.432 22 R N -0.143 120.433 120.500 0.126 0.000 2.075 22 R HA -0.065 4.275 4.340 0.001 0.000 0.232 22 R C 2.270 178.628 176.300 0.096 0.000 1.126 22 R CA 1.429 57.600 56.100 0.119 0.000 0.963 22 R CB -0.941 29.412 30.300 0.089 0.000 0.858 22 R HN 0.369 nan 8.270 nan 0.000 0.435 23 A N 1.459 124.331 122.820 0.087 0.000 1.972 23 A HA -0.117 4.203 4.320 0.001 0.000 0.219 23 A C 1.620 179.235 177.584 0.051 0.000 1.169 23 A CA 1.147 53.223 52.037 0.066 0.000 0.635 23 A CB -0.128 18.900 19.000 0.047 0.000 0.810 23 A HN 0.211 nan 8.150 nan 0.000 0.446 24 E N -1.299 118.933 120.200 0.053 0.000 2.489 24 E HA 0.198 4.548 4.350 0.001 0.000 0.193 24 E C 1.069 177.710 176.600 0.069 0.000 1.057 24 E CA 0.587 57.015 56.400 0.048 0.000 0.866 24 E CB 0.006 29.724 29.700 0.030 0.000 0.916 24 E HN 0.782 nan 8.360 nan 0.000 0.500 25 G N 1.926 110.775 108.800 0.082 0.000 2.141 25 G HA2 -0.284 3.676 3.960 0.001 0.000 0.231 25 G HA3 -0.284 3.676 3.960 0.001 0.000 0.231 25 G C -0.017 174.947 174.900 0.107 0.000 0.984 25 G CA -0.097 45.047 45.100 0.073 0.000 0.660 25 G HN 0.310 nan 8.290 nan 0.000 0.525 26 F N 1.808 121.753 119.950 -0.009 0.000 2.578 26 F HA 0.452 4.980 4.527 0.000 0.000 0.376 26 F C 1.207 177.000 175.800 -0.010 0.000 1.085 26 F CA 0.636 58.630 58.000 -0.010 0.000 1.260 26 F CB 0.659 39.651 39.000 -0.013 0.000 1.095 26 F HN 0.222 nan 8.300 nan 0.000 0.573 27 E N 3.083 122.860 120.200 -0.704 0.000 2.539 27 E HA 0.189 4.540 4.350 0.001 0.000 0.215 27 E C 1.104 177.274 176.600 -0.717 0.000 0.965 27 E CA -0.028 56.054 56.400 -0.529 0.000 1.019 27 E CB 0.456 29.984 29.700 -0.288 0.000 1.059 27 E HN 0.789 nan 8.360 nan 0.000 0.496 28 G N 1.242 109.157 108.800 -1.474 0.000 2.570 28 G HA2 0.150 4.110 3.960 0.001 0.000 0.276 28 G HA3 0.150 4.110 3.960 0.001 0.000 0.276 28 G C 0.021 174.728 174.900 -0.321 0.000 1.346 28 G CA -0.578 44.016 45.100 -0.843 0.000 1.034 28 G HN -0.039 nan 8.290 nan 0.000 0.512 29 R N -0.846 119.687 120.500 0.055 0.000 2.441 29 R HA 0.373 4.713 4.340 0.001 0.000 0.284 29 R C -0.668 175.891 176.300 0.431 0.000 1.070 29 R CA -0.048 56.151 56.100 0.166 0.000 1.047 29 R CB 1.003 31.319 30.300 0.026 0.000 1.016 29 R HN 0.300 nan 8.270 nan 0.000 0.477 30 I N 1.096 121.847 120.570 0.303 0.000 2.447 30 I HA 0.160 4.330 4.170 0.001 0.000 0.287 30 I C -0.397 175.854 176.117 0.224 0.000 1.023 30 I CA -0.440 61.028 61.300 0.280 0.000 1.083 30 I CB 2.282 40.407 38.000 0.208 0.000 1.245 30 I HN 0.438 nan 8.210 nan 0.000 0.434 31 S N 6.571 122.418 115.700 0.246 0.000 2.433 31 S HA 0.533 5.003 4.470 0.001 0.000 0.310 31 S C -0.657 174.008 174.600 0.108 0.000 1.097 31 S CA -0.447 57.867 58.200 0.191 0.000 1.103 31 S CB 1.415 64.782 63.200 0.278 0.000 0.992 31 S HN 0.375 nan 8.310 nan 0.000 0.469 32 L N 5.512 126.788 121.223 0.089 0.000 2.294 32 L HA 0.630 4.970 4.340 0.001 0.000 0.283 32 L C -1.221 175.680 176.870 0.052 0.000 1.015 32 L CA -0.320 54.565 54.840 0.075 0.000 0.831 32 L CB 0.318 42.438 42.059 0.103 0.000 1.217 32 L HN 0.582 nan 8.230 nan 0.000 0.420 33 I N 4.494 125.093 120.570 0.048 0.000 2.441 33 I HA 0.813 4.983 4.170 0.001 0.000 0.295 33 I C 0.492 176.631 176.117 0.036 0.000 0.994 33 I CA -0.443 60.880 61.300 0.037 0.000 1.144 33 I CB 1.886 39.908 38.000 0.036 0.000 1.314 33 I HN 0.719 nan 8.210 nan 0.000 0.445 34 G N 2.837 111.654 108.800 0.030 0.000 2.733 34 G HA2 0.379 4.339 3.960 0.001 0.000 0.297 34 G HA3 0.379 4.339 3.960 0.001 0.000 0.297 34 G C -0.568 174.350 174.900 0.030 0.000 1.422 34 G CA -0.470 44.651 45.100 0.034 0.000 0.942 34 G HN 0.648 nan 8.290 nan 0.000 0.510 35 D N -0.149 120.271 120.400 0.032 0.000 2.354 35 D HA 0.011 4.652 4.640 0.001 0.000 0.209 35 D C 0.515 176.830 176.300 0.026 0.000 1.015 35 D CA 0.214 54.228 54.000 0.024 0.000 0.867 35 D CB 0.345 41.157 40.800 0.021 0.000 0.933 35 D HN 0.487 nan 8.370 nan 0.000 0.520 36 E N 1.293 121.528 120.200 0.059 0.000 2.366 36 E HA 0.136 4.486 4.350 0.001 0.000 0.266 36 E C -1.805 174.784 176.600 -0.019 0.000 1.051 36 E CA -1.668 54.779 56.400 0.079 0.000 0.884 36 E CB 0.997 30.846 29.700 0.248 0.000 1.006 36 E HN 0.089 nan 8.360 nan 0.000 0.417 37 P HA 0.019 nan 4.420 nan 0.000 0.254 37 P C -1.038 175.944 177.300 -0.530 0.000 1.631 37 P CA 0.541 63.422 63.100 -0.366 0.000 0.861 37 P CB 0.135 31.589 31.700 -0.411 0.000 1.663 38 H N -0.751 118.389 119.070 0.115 0.000 2.974 38 H HA 0.283 4.840 4.556 0.000 0.000 0.366 38 H C 0.372 175.784 175.328 0.140 0.000 1.155 38 H CA -0.978 55.148 56.048 0.131 0.000 1.186 38 H CB 1.298 31.156 29.762 0.159 0.000 1.799 38 H HN -0.067 nan 8.280 nan 0.000 0.541 39 L N 2.727 124.085 121.223 0.224 0.000 2.483 39 L HA 0.108 4.448 4.340 0.001 0.000 0.275 39 L C -1.793 175.207 176.870 0.217 0.000 1.220 39 L CA -1.505 53.418 54.840 0.140 0.000 0.833 39 L CB -0.122 42.010 42.059 0.121 0.000 1.102 39 L HN 0.298 nan 8.230 nan 0.000 0.490 40 P HA -0.053 nan 4.420 nan 0.000 0.261 40 P C -1.458 175.879 177.300 0.062 0.000 1.173 40 P CA 0.635 63.780 63.100 0.075 0.000 0.760 40 P CB 0.114 31.865 31.700 0.085 0.000 0.783 41 Y N -0.136 120.131 120.300 -0.054 0.000 2.638 41 Y HA 0.567 5.118 4.550 0.001 0.000 0.339 41 Y C -0.429 175.440 175.900 -0.051 0.000 1.084 41 Y CA -1.763 56.284 58.100 -0.088 0.000 1.068 41 Y CB 0.750 39.135 38.460 -0.125 0.000 1.294 41 Y HN 0.092 nan 8.280 nan 0.000 0.480 42 D N 1.708 122.209 120.400 0.168 0.000 2.383 42 D HA 0.105 4.745 4.640 0.001 0.000 0.245 42 D C 0.896 177.297 176.300 0.168 0.000 1.263 42 D CA 0.233 54.302 54.000 0.114 0.000 0.936 42 D CB 0.675 41.496 40.800 0.036 0.000 1.053 42 D HN 0.792 nan 8.370 nan 0.000 0.507 43 R N 3.868 124.415 120.500 0.079 0.000 2.075 43 R HA -0.030 4.310 4.340 0.001 0.000 0.232 43 R C -0.853 175.480 176.300 0.056 0.000 1.126 43 R CA 0.798 56.948 56.100 0.084 0.000 0.963 43 R CB -0.458 29.834 30.300 -0.013 0.000 0.858 43 R HN 0.334 nan 8.270 nan 0.000 0.435 44 P HA -0.137 nan 4.420 nan 0.000 0.220 44 P C 0.974 178.270 177.300 -0.007 0.000 1.144 44 P CA 1.702 64.756 63.100 -0.076 0.000 0.800 44 P CB -0.017 31.596 31.700 -0.144 0.000 0.772 45 S N -1.441 114.277 115.700 0.029 0.000 2.481 45 S HA -0.056 4.414 4.470 0.001 0.000 0.231 45 S C 1.822 176.432 174.600 0.017 0.000 0.996 45 S CA 0.589 58.804 58.200 0.025 0.000 0.942 45 S CB -1.435 61.766 63.200 0.002 0.000 0.768 45 S HN 0.097 nan 8.310 nan 0.000 0.520 46 L N 2.067 123.310 121.223 0.033 0.000 2.046 46 L HA -0.078 4.262 4.340 0.001 0.000 0.208 46 L C 2.764 179.648 176.870 0.023 0.000 1.077 46 L CA 1.570 56.435 54.840 0.040 0.000 0.747 46 L CB -0.749 41.359 42.059 0.083 0.000 0.896 46 L HN 0.548 nan 8.230 nan 0.000 0.432 47 S N -1.877 113.832 115.700 0.014 0.000 2.593 47 S HA 0.084 4.554 4.470 0.001 0.000 0.217 47 S C 1.091 175.707 174.600 0.027 0.000 0.966 47 S CA -0.165 58.046 58.200 0.018 0.000 0.914 47 S CB 0.224 63.425 63.200 0.003 0.000 0.776 47 S HN 0.378 nan 8.310 nan 0.000 0.523 48 K N 1.200 121.614 120.400 0.023 0.000 4.623 48 K HA 0.626 4.947 4.320 0.001 0.000 0.211 48 K C 2.136 178.751 176.600 0.025 0.000 1.111 48 K CA 0.200 56.504 56.287 0.029 0.000 1.955 48 K CB -0.527 31.997 32.500 0.040 0.000 2.808 48 K HN 0.097 nan 8.250 nan 0.000 0.599 49 A N 1.218 124.047 122.820 0.015 0.000 1.972 49 A HA -0.090 4.230 4.320 0.001 0.000 0.219 49 A C 2.261 179.845 177.584 -0.001 0.000 1.169 49 A CA 1.500 53.540 52.037 0.004 0.000 0.635 49 A CB -0.789 18.206 19.000 -0.008 0.000 0.810 49 A HN 0.193 nan 8.150 nan 0.000 0.446 50 V N -0.556 119.354 119.914 -0.007 0.000 2.323 50 V HA -0.180 3.940 4.120 0.001 0.000 0.244 50 V C 2.424 178.526 176.094 0.014 0.000 1.041 50 V CA 1.734 64.028 62.300 -0.010 0.000 1.025 50 V CB -0.768 31.035 31.823 -0.033 0.000 0.656 50 V HN 0.554 nan 8.190 nan 0.000 0.451 51 L N 1.945 123.178 121.223 0.017 0.000 2.083 51 L HA -0.171 4.169 4.340 0.001 0.000 0.209 51 L C 2.098 179.004 176.870 0.059 0.000 1.083 51 L CA 2.511 57.362 54.840 0.017 0.000 0.752 51 L CB -0.846 41.233 42.059 0.033 0.000 0.899 51 L HN 0.662 nan 8.230 nan 0.000 0.433 52 D N -1.384 119.052 120.400 0.059 0.000 2.363 52 D HA 0.075 4.716 4.640 0.001 0.000 0.220 52 D C 1.658 177.987 176.300 0.047 0.000 0.994 52 D CA 0.827 54.867 54.000 0.065 0.000 0.890 52 D CB -0.293 40.536 40.800 0.049 0.000 0.906 52 D HN 0.420 nan 8.370 nan 0.000 0.530 53 G N -0.216 108.603 108.800 0.032 0.000 2.179 53 G HA2 -0.369 3.592 3.960 0.001 0.000 0.260 53 G HA3 -0.369 3.592 3.960 0.001 0.000 0.260 53 G C 1.243 176.149 174.900 0.011 0.000 0.977 53 G CA 0.926 46.039 45.100 0.022 0.000 0.641 53 G HN 0.727 nan 8.290 nan 0.000 0.533 54 S N -0.905 114.799 115.700 0.007 0.000 2.453 54 S HA 0.386 4.856 4.470 0.001 0.000 0.231 54 S C 0.937 175.530 174.600 -0.013 0.000 1.005 54 S CA 0.696 58.895 58.200 -0.002 0.000 0.949 54 S CB 0.220 63.419 63.200 -0.003 0.000 0.774 54 S HN 0.582 nan 8.310 nan 0.000 0.510 55 L N 1.396 122.608 121.223 -0.019 0.000 2.333 55 L HA 0.466 4.806 4.340 0.001 0.000 0.280 55 L C 1.142 177.989 176.870 -0.038 0.000 1.004 55 L CA -0.505 54.311 54.840 -0.039 0.000 0.820 55 L CB 2.041 44.064 42.059 -0.060 0.000 1.247 55 L HN 0.061 nan 8.230 nan 0.000 0.416 56 E N 3.169 123.348 120.200 -0.036 0.000 2.106 56 E HA -0.030 4.320 4.350 0.001 0.000 0.192 56 E C 0.059 176.634 176.600 -0.042 0.000 0.984 56 E CA 1.499 57.892 56.400 -0.012 0.000 0.806 56 E CB 0.421 30.121 29.700 -0.001 0.000 0.750 56 E HN 0.457 nan 8.360 nan 0.000 0.458 57 R N 0.088 120.479 120.500 -0.181 0.000 2.795 57 R HA 0.414 4.754 4.340 0.001 0.000 0.275 57 R C -2.484 173.533 176.300 -0.473 0.000 0.981 57 R CA -2.360 53.436 56.100 -0.508 0.000 0.917 57 R CB 1.642 31.679 30.300 -0.439 0.000 1.202 57 R HN 0.036 nan 8.270 nan 0.000 0.469 58 P HA 0.095 nan 4.420 nan 0.000 0.269 58 P C -2.505 174.659 177.300 -0.227 0.000 1.209 58 P CA -1.279 61.604 63.100 -0.362 0.000 0.776 58 P CB -0.176 31.308 31.700 -0.359 0.000 0.876 59 P HA 0.028 nan 4.420 nan 0.000 0.265 59 P C 0.153 177.430 177.300 -0.039 0.000 1.187 59 P CA 0.344 63.399 63.100 -0.075 0.000 0.766 59 P CB 0.079 31.744 31.700 -0.059 0.000 0.820 60 I N 0.064 120.610 120.570 -0.040 0.000 2.720 60 I HA 0.145 4.315 4.170 0.001 0.000 0.287 60 I C 1.056 177.115 176.117 -0.097 0.000 1.090 60 I CA -0.349 60.940 61.300 -0.019 0.000 1.384 60 I CB 0.465 38.480 38.000 0.025 0.000 1.420 60 I HN 0.247 nan 8.210 nan 0.000 0.575 61 L N 3.485 124.581 121.223 -0.212 0.000 2.240 61 L HA 0.254 4.594 4.340 0.001 0.000 0.211 61 L C 1.052 177.621 176.870 -0.503 0.000 1.106 61 L CA 0.702 55.223 54.840 -0.532 0.000 0.793 61 L CB -0.386 40.961 42.059 -1.188 0.000 0.927 61 L HN 0.895 nan 8.230 nan 0.000 0.446 62 A N -0.916 121.757 122.820 -0.244 0.000 2.587 62 A HA 0.465 4.786 4.320 0.001 0.000 0.293 62 A C -0.703 176.886 177.584 0.009 0.000 1.087 62 A CA -0.713 51.221 52.037 -0.171 0.000 0.692 62 A CB 1.138 19.958 19.000 -0.301 0.000 1.291 62 A HN -0.057 nan 8.150 nan 0.000 0.407 63 E N 0.777 120.985 120.200 0.015 0.000 2.442 63 E HA 0.175 4.525 4.350 0.001 0.000 0.262 63 E C 1.472 178.192 176.600 0.200 0.000 1.004 63 E CA 0.651 57.109 56.400 0.098 0.000 0.928 63 E CB 1.006 30.761 29.700 0.092 0.000 0.937 63 E HN 0.776 nan 8.360 nan 0.000 0.446 64 A N 4.009 126.969 122.820 0.232 0.000 1.978 64 A HA -0.233 4.087 4.320 0.001 0.000 0.220 64 A C 1.471 179.254 177.584 0.333 0.000 1.170 64 A CA 1.999 54.239 52.037 0.338 0.000 0.636 64 A CB -0.287 18.849 19.000 0.226 0.000 0.810 64 A HN 0.648 nan 8.150 nan 0.000 0.448 65 D N -2.241 118.288 120.400 0.215 0.000 2.347 65 D HA -0.163 4.477 4.640 0.001 0.000 0.215 65 D C 1.559 177.945 176.300 0.144 0.000 0.976 65 D CA 0.678 54.775 54.000 0.162 0.000 0.884 65 D CB -0.754 40.111 40.800 0.109 0.000 0.915 65 D HN 0.693 nan 8.370 nan 0.000 0.526 66 W N 0.991 122.264 121.300 -0.046 0.000 2.363 66 W HA -0.171 4.489 4.660 0.000 0.000 0.296 66 W C 1.459 177.885 176.519 -0.155 0.000 1.212 66 W CA 1.284 58.543 57.345 -0.144 0.000 1.260 66 W CB -0.407 28.903 29.460 -0.250 0.000 1.131 66 W HN -0.128 nan 8.180 nan 0.000 0.530 67 Y N 0.155 120.505 120.300 0.084 0.000 2.165 67 Y HA -0.115 4.435 4.550 0.000 0.000 0.286 67 Y C 2.747 178.503 175.900 -0.239 0.000 1.155 67 Y CA 1.866 59.888 58.100 -0.130 0.000 1.164 67 Y CB -1.374 37.153 38.460 0.111 0.000 0.978 67 Y HN 0.029 nan 8.280 nan 0.000 0.513 68 G N -0.349 108.459 108.800 0.012 0.000 2.402 68 G HA2 -0.212 3.748 3.960 0.001 0.000 0.216 68 G HA3 -0.212 3.748 3.960 0.001 0.000 0.216 68 G C 1.441 176.254 174.900 -0.145 0.000 1.162 68 G CA 0.963 46.037 45.100 -0.044 0.000 0.777 68 G HN 0.422 nan 8.290 nan 0.000 0.539 69 E N 0.488 120.561 120.200 -0.212 0.000 2.077 69 E HA -0.012 4.338 4.350 0.001 0.000 0.193 69 E C 2.620 179.013 176.600 -0.345 0.000 0.989 69 E CA 0.859 57.119 56.400 -0.234 0.000 0.800 69 E CB -0.137 29.451 29.700 -0.186 0.000 0.746 69 E HN 0.411 nan 8.360 nan 0.000 0.452 70 A N 0.870 123.302 122.820 -0.647 0.000 2.238 70 A HA -0.007 4.314 4.320 0.001 0.000 0.208 70 A C 0.074 177.442 177.584 -0.359 0.000 1.177 70 A CA -0.148 51.503 52.037 -0.643 0.000 0.804 70 A CB -0.085 18.117 19.000 -1.329 0.000 0.823 70 A HN 0.072 nan 8.150 nan 0.000 0.482 71 R N -0.654 119.696 120.500 -0.250 0.000 3.251 71 R HA -0.161 4.179 4.340 0.001 0.000 0.249 71 R C -0.672 175.575 176.300 -0.089 0.000 0.949 71 R CA 0.586 56.606 56.100 -0.132 0.000 0.645 71 R CB -2.413 27.823 30.300 -0.105 0.000 1.065 71 R HN 0.388 nan 8.270 nan 0.000 0.452 72 I N 1.461 121.983 120.570 -0.081 0.000 2.315 72 I HA 0.163 4.333 4.170 0.001 0.000 0.291 72 I C 0.784 176.931 176.117 0.050 0.000 1.006 72 I CA -0.862 60.450 61.300 0.020 0.000 1.265 72 I CB 1.152 39.214 38.000 0.102 0.000 1.387 72 I HN -0.015 nan 8.210 nan 0.000 0.475 73 D N 7.656 128.090 120.400 0.056 0.000 2.336 73 D HA 0.200 4.840 4.640 0.001 0.000 0.249 73 D C 0.142 176.470 176.300 0.046 0.000 1.213 73 D CA -0.111 53.915 54.000 0.044 0.000 0.870 73 D CB 1.155 41.978 40.800 0.039 0.000 1.076 73 D HN 0.213 nan 8.370 nan 0.000 0.483 74 M N 2.661 122.274 119.600 0.021 0.000 2.144 74 M HA 0.286 4.766 4.480 0.001 0.000 0.356 74 M C 0.026 176.325 176.300 -0.001 0.000 1.217 74 M CA -0.376 54.917 55.300 -0.011 0.000 1.087 74 M CB 1.069 33.626 32.600 -0.071 0.000 1.609 74 M HN 0.188 nan 8.290 nan 0.000 0.467 75 L N 3.464 124.690 121.223 0.005 0.000 2.495 75 L HA 0.306 4.647 4.340 0.001 0.000 0.248 75 L C -0.305 176.568 176.870 0.005 0.000 1.229 75 L CA -0.241 54.605 54.840 0.011 0.000 0.942 75 L CB 0.891 42.966 42.059 0.028 0.000 1.242 75 L HN 0.639 nan 8.230 nan 0.000 0.484 76 T N 0.604 115.154 114.554 -0.006 0.000 2.767 76 T HA 0.607 4.957 4.350 0.001 0.000 0.288 76 T C 0.903 175.599 174.700 -0.006 0.000 0.963 76 T CA 0.571 62.668 62.100 -0.006 0.000 1.019 76 T CB 1.788 70.646 68.868 -0.017 0.000 0.923 76 T HN 0.836 nan 8.240 nan 0.000 0.468 77 G N 5.381 114.179 108.800 -0.003 0.000 2.905 77 G HA2 -0.121 3.839 3.960 0.001 0.000 0.199 77 G HA3 -0.121 3.839 3.960 0.001 0.000 0.199 77 G C -2.432 172.467 174.900 -0.002 0.000 1.370 77 G CA -0.991 44.103 45.100 -0.009 0.000 0.966 77 G HN 0.640 nan 8.290 nan 0.000 0.522 78 P HA 0.382 nan 4.420 nan 0.000 0.269 78 P C -0.392 176.915 177.300 0.011 0.000 1.209 78 P CA 0.337 63.442 63.100 0.008 0.000 0.776 78 P CB 0.896 32.603 31.700 0.012 0.000 0.876 79 E N 1.817 122.023 120.200 0.010 0.000 2.197 79 E HA 0.265 4.615 4.350 0.001 0.000 0.281 79 E C -0.949 175.659 176.600 0.014 0.000 0.995 79 E CA -0.794 55.614 56.400 0.013 0.000 0.808 79 E CB 0.786 30.492 29.700 0.010 0.000 1.093 79 E HN 0.080 nan 8.360 nan 0.000 0.394 80 V N 4.588 124.512 119.914 0.016 0.000 2.455 80 V HA 0.040 4.160 4.120 0.001 0.000 0.273 80 V C 1.229 177.330 176.094 0.013 0.000 1.045 80 V CA 0.439 62.749 62.300 0.016 0.000 0.976 80 V CB 0.965 32.799 31.823 0.018 0.000 0.993 80 V HN 0.946 nan 8.190 nan 0.000 0.475 81 T N 1.083 115.644 114.554 0.011 0.000 2.990 81 T HA 0.584 4.934 4.350 0.001 0.000 0.250 81 T C 0.405 175.110 174.700 0.008 0.000 1.041 81 T CA 0.488 62.593 62.100 0.009 0.000 1.010 81 T CB 0.544 69.417 68.868 0.008 0.000 1.003 81 T HN 0.944 nan 8.240 nan 0.000 0.499 82 A N 0.686 123.512 122.820 0.008 0.000 2.604 82 A HA 0.758 5.078 4.320 0.001 0.000 0.295 82 A C -2.175 175.412 177.584 0.006 0.000 1.067 82 A CA -0.926 51.115 52.037 0.006 0.000 0.683 82 A CB 1.590 20.593 19.000 0.005 0.000 1.281 82 A HN 0.436 nan 8.150 nan 0.000 0.407 83 L N 1.055 122.280 121.223 0.003 0.000 2.409 83 L HA 0.727 5.068 4.340 0.001 0.000 0.272 83 L C -1.514 175.354 176.870 -0.003 0.000 0.980 83 L CA -0.165 54.676 54.840 0.001 0.000 0.826 83 L CB 2.032 44.090 42.059 -0.000 0.000 1.268 83 L HN 0.666 nan 8.230 nan 0.000 0.407 84 D N 3.586 123.984 120.400 -0.003 0.000 2.427 84 D HA 0.211 4.851 4.640 0.001 0.000 0.226 84 D C 0.937 177.229 176.300 -0.013 0.000 1.076 84 D CA -0.176 53.819 54.000 -0.007 0.000 0.849 84 D CB 1.799 42.598 40.800 -0.003 0.000 1.052 84 D HN 0.492 nan 8.370 nan 0.000 0.515 85 V N 2.059 121.961 119.914 -0.022 0.000 3.041 85 V HA -0.081 4.039 4.120 0.001 0.000 0.260 85 V C 1.592 177.665 176.094 -0.035 0.000 1.105 85 V CA 0.797 63.076 62.300 -0.034 0.000 1.125 85 V CB -0.137 31.658 31.823 -0.047 0.000 0.730 85 V HN 0.355 nan 8.190 nan 0.000 0.479 86 Q N 2.047 121.832 119.800 -0.025 0.000 2.089 86 Q HA -0.040 4.300 4.340 0.001 0.000 0.195 86 Q C 2.488 178.479 176.000 -0.014 0.000 0.963 86 Q CA 2.363 58.153 55.803 -0.022 0.000 0.834 86 Q CB -0.844 27.884 28.738 -0.018 0.000 0.906 86 Q HN 0.875 nan 8.270 nan 0.000 0.452 87 T N -2.347 112.202 114.554 -0.008 0.000 3.081 87 T HA 0.141 4.491 4.350 0.001 0.000 0.255 87 T C 0.496 175.198 174.700 0.003 0.000 1.113 87 T CA -0.136 61.964 62.100 -0.000 0.000 1.082 87 T CB 0.029 68.899 68.868 0.003 0.000 0.939 87 T HN 0.232 nan 8.240 nan 0.000 0.506 88 R N 1.203 121.701 120.500 -0.004 0.000 3.264 88 R HA -0.110 4.231 4.340 0.001 0.000 0.251 88 R C -0.986 175.318 176.300 0.007 0.000 0.971 88 R CA 0.667 56.764 56.100 -0.004 0.000 0.658 88 R CB -2.403 27.895 30.300 -0.003 0.000 1.095 88 R HN 0.464 nan 8.270 nan 0.000 0.443 89 T N 1.089 115.647 114.554 0.007 0.000 2.841 89 T HA 0.680 5.030 4.350 0.001 0.000 0.283 89 T C 0.265 174.972 174.700 0.013 0.000 1.000 89 T CA -0.748 61.362 62.100 0.016 0.000 0.977 89 T CB 1.730 70.608 68.868 0.016 0.000 0.979 89 T HN 0.392 nan 8.240 nan 0.000 0.446 90 I N -0.714 119.867 120.570 0.020 0.000 2.646 90 I HA 0.835 5.006 4.170 0.001 0.000 0.299 90 I C -0.566 175.564 176.117 0.022 0.000 1.036 90 I CA -0.689 60.622 61.300 0.018 0.000 1.074 90 I CB 2.327 40.337 38.000 0.017 0.000 1.258 90 I HN 0.379 nan 8.210 nan 0.000 0.430 91 S N 6.220 121.930 115.700 0.017 0.000 2.451 91 S HA 0.656 5.127 4.470 0.001 0.000 0.301 91 S C -0.248 174.362 174.600 0.016 0.000 1.116 91 S CA -0.706 57.503 58.200 0.016 0.000 1.093 91 S CB 1.258 64.466 63.200 0.012 0.000 1.017 91 S HN 0.468 nan 8.310 nan 0.000 0.482 92 L N 2.348 123.581 121.223 0.017 0.000 2.375 92 L HA 0.390 4.730 4.340 0.001 0.000 0.268 92 L C 1.264 178.141 176.870 0.012 0.000 1.058 92 L CA -0.903 53.947 54.840 0.016 0.000 0.803 92 L CB 0.632 42.702 42.059 0.018 0.000 1.212 92 L HN 0.630 nan 8.230 nan 0.000 0.451 93 D N -0.237 120.169 120.400 0.010 0.000 2.309 93 D HA -0.212 4.428 4.640 0.001 0.000 0.212 93 D C 0.914 177.217 176.300 0.006 0.000 0.968 93 D CA 0.919 54.923 54.000 0.007 0.000 0.882 93 D CB -0.322 40.481 40.800 0.005 0.000 0.918 93 D HN 0.669 nan 8.370 nan 0.000 0.503 94 D N -1.220 119.184 120.400 0.007 0.000 2.339 94 D HA 0.171 4.811 4.640 0.001 0.000 0.217 94 D C 1.696 177.999 176.300 0.006 0.000 1.050 94 D CA 0.574 54.577 54.000 0.005 0.000 0.856 94 D CB 0.025 40.828 40.800 0.005 0.000 0.922 94 D HN 0.332 nan 8.370 nan 0.000 0.518 95 G N -0.509 108.295 108.800 0.008 0.000 2.213 95 G HA2 -0.247 3.713 3.960 0.001 0.000 0.226 95 G HA3 -0.247 3.713 3.960 0.001 0.000 0.226 95 G C 0.448 175.354 174.900 0.011 0.000 0.992 95 G CA 0.133 45.238 45.100 0.008 0.000 0.632 95 G HN 0.444 nan 8.290 nan 0.000 0.511 96 T N 2.190 116.751 114.554 0.012 0.000 2.916 96 T HA 0.482 4.832 4.350 0.001 0.000 0.303 96 T C 0.263 174.975 174.700 0.020 0.000 1.025 96 T CA 1.021 63.130 62.100 0.016 0.000 1.142 96 T CB 1.421 70.300 68.868 0.019 0.000 0.947 96 T HN 0.225 nan 8.240 nan 0.000 0.544 97 T N 4.247 118.814 114.554 0.023 0.000 2.779 97 T HA 0.552 4.902 4.350 0.001 0.000 0.280 97 T C -0.254 174.470 174.700 0.040 0.000 0.987 97 T CA -0.592 61.525 62.100 0.027 0.000 0.966 97 T CB 0.409 69.290 68.868 0.022 0.000 0.933 97 T HN 0.332 nan 8.240 nan 0.000 0.442 98 L N 3.031 124.285 121.223 0.052 0.000 2.346 98 L HA 0.705 5.045 4.340 0.001 0.000 0.276 98 L C 0.329 177.250 176.870 0.085 0.000 1.006 98 L CA -0.887 54.005 54.840 0.086 0.000 0.817 98 L CB 1.982 44.108 42.059 0.112 0.000 1.272 98 L HN 0.666 nan 8.230 nan 0.000 0.421 99 S N 1.854 117.624 115.700 0.117 0.000 2.532 99 S HA 0.944 5.414 4.470 0.001 0.000 0.301 99 S C -0.704 173.997 174.600 0.167 0.000 1.083 99 S CA -0.515 57.746 58.200 0.102 0.000 1.025 99 S CB 2.354 65.599 63.200 0.074 0.000 1.056 99 S HN 0.805 nan 8.310 nan 0.000 0.494 100 A N 1.454 124.309 122.820 0.058 0.000 2.556 100 A HA 0.652 4.972 4.320 0.001 0.000 0.294 100 A C 0.062 177.649 177.584 0.005 0.000 1.091 100 A CA -0.734 51.283 52.037 -0.033 0.000 0.704 100 A CB 0.990 19.806 19.000 -0.307 0.000 1.300 100 A HN 0.823 nan 8.150 nan 0.000 0.406 101 D N 0.283 120.699 120.400 0.026 0.000 2.194 101 D HA 0.223 4.864 4.640 0.001 0.000 0.204 101 D C 0.711 177.030 176.300 0.032 0.000 0.964 101 D CA 1.793 55.822 54.000 0.048 0.000 0.846 101 D CB 0.384 41.238 40.800 0.091 0.000 0.962 101 D HN 0.709 nan 8.370 nan 0.000 0.490 102 A N 0.597 123.416 122.820 -0.002 0.000 2.422 102 A HA 0.627 4.948 4.320 0.001 0.000 0.302 102 A C -0.955 176.628 177.584 -0.000 0.000 1.041 102 A CA -0.539 51.525 52.037 0.045 0.000 0.708 102 A CB 1.519 20.540 19.000 0.035 0.000 1.257 102 A HN 0.003 nan 8.150 nan 0.000 0.414 103 I N 2.162 122.770 120.570 0.064 0.000 2.436 103 I HA 0.443 4.613 4.170 0.001 0.000 0.289 103 I C -0.840 175.345 176.117 0.113 0.000 1.010 103 I CA -0.962 60.358 61.300 0.034 0.000 1.098 103 I CB 2.185 40.188 38.000 0.004 0.000 1.266 103 I HN 0.318 nan 8.210 nan 0.000 0.434 104 V N 7.218 127.174 119.914 0.070 0.000 2.357 104 V HA 0.397 4.518 4.120 0.001 0.000 0.284 104 V C 0.135 176.271 176.094 0.069 0.000 1.018 104 V CA -0.506 61.853 62.300 0.097 0.000 0.841 104 V CB 1.438 33.285 31.823 0.040 0.000 0.991 104 V HN 0.470 nan 8.190 nan 0.000 0.437 105 I N 4.357 124.977 120.570 0.083 0.000 2.322 105 I HA 0.505 4.676 4.170 0.001 0.000 0.292 105 I C 0.750 176.907 176.117 0.068 0.000 1.060 105 I CA 0.186 61.522 61.300 0.060 0.000 1.309 105 I CB 1.080 39.109 38.000 0.049 0.000 1.415 105 I HN 0.698 nan 8.210 nan 0.000 0.492 106 A N 3.713 126.563 122.820 0.051 0.000 2.992 106 A HA 0.239 4.560 4.320 0.001 0.000 0.263 106 A C 0.962 178.566 177.584 0.033 0.000 0.928 106 A CA -0.349 51.715 52.037 0.046 0.000 1.061 106 A CB -0.351 18.674 19.000 0.042 0.000 1.173 106 A HN 0.727 nan 8.150 nan 0.000 0.482 107 T N -3.053 111.521 114.554 0.033 0.000 3.148 107 T HA 0.433 4.784 4.350 0.001 0.000 0.253 107 T C 1.334 176.046 174.700 0.021 0.000 1.134 107 T CA 0.993 63.109 62.100 0.026 0.000 1.051 107 T CB -0.254 68.630 68.868 0.026 0.000 0.959 107 T HN 2.010 nan 8.240 nan 0.000 0.525 108 G N 1.017 109.829 108.800 0.019 0.000 2.562 108 G HA2 -0.110 3.850 3.960 0.001 0.000 0.250 108 G HA3 -0.110 3.850 3.960 0.001 0.000 0.250 108 G C -0.345 174.564 174.900 0.016 0.000 1.269 108 G CA -0.281 44.826 45.100 0.012 0.000 0.919 108 G HN 0.775 nan 8.290 nan 0.000 0.574 109 S N -0.417 115.290 115.700 0.012 0.000 2.599 109 S HA 0.799 5.269 4.470 0.001 0.000 0.287 109 S C 0.017 174.625 174.600 0.013 0.000 1.105 109 S CA -0.754 57.454 58.200 0.013 0.000 0.899 109 S CB 1.991 65.197 63.200 0.011 0.000 1.100 109 S HN 0.762 nan 8.310 nan 0.000 0.482 110 R N 0.530 121.038 120.500 0.014 0.000 2.787 110 R HA 0.725 5.065 4.340 0.001 0.000 0.271 110 R C -0.411 175.895 176.300 0.011 0.000 0.993 110 R CA -0.874 55.234 56.100 0.013 0.000 0.993 110 R CB 1.251 31.559 30.300 0.013 0.000 1.155 110 R HN 0.696 nan 8.270 nan 0.000 0.486 111 A N 2.273 125.098 122.820 0.009 0.000 2.520 111 A HA 0.112 4.432 4.320 0.001 0.000 0.245 111 A C 0.117 177.706 177.584 0.008 0.000 1.072 111 A CA -0.024 52.017 52.037 0.007 0.000 0.761 111 A CB 0.155 19.158 19.000 0.005 0.000 1.004 111 A HN 0.607 nan 8.150 nan 0.000 0.499 112 R N 1.111 121.618 120.500 0.011 0.000 2.590 112 R HA 0.288 4.628 4.340 0.001 0.000 0.274 112 R C 0.570 176.879 176.300 0.016 0.000 1.061 112 R CA 0.753 56.861 56.100 0.014 0.000 1.081 112 R CB 0.405 30.715 30.300 0.017 0.000 0.984 112 R HN 0.876 nan 8.270 nan 0.000 0.448 113 T N -1.223 113.342 114.554 0.018 0.000 2.950 113 T HA 0.276 4.626 4.350 0.001 0.000 0.288 113 T C 1.284 176.009 174.700 0.042 0.000 1.035 113 T CA -1.063 61.050 62.100 0.021 0.000 1.028 113 T CB 1.256 70.127 68.868 0.006 0.000 1.109 113 T HN 0.264 nan 8.240 nan 0.000 0.514 114 M N 0.802 120.443 119.600 0.068 0.000 2.236 114 M HA 0.243 4.724 4.480 0.001 0.000 0.266 114 M C 1.708 178.063 176.300 0.092 0.000 1.070 114 M CA 1.396 56.761 55.300 0.110 0.000 1.137 114 M CB -1.855 30.883 32.600 0.230 0.000 1.378 114 M HN 1.200 nan 8.290 nan 0.000 0.426 115 A N 1.784 124.651 122.820 0.079 0.000 2.578 115 A HA -0.161 4.159 4.320 0.001 0.000 0.298 115 A C -0.152 177.482 177.584 0.084 0.000 1.472 115 A CA 0.453 52.529 52.037 0.065 0.000 0.734 115 A CB -2.212 16.814 19.000 0.043 0.000 1.091 115 A HN 0.472 nan 8.150 nan 0.000 0.426 116 L N -0.792 120.510 121.223 0.131 0.000 2.283 116 L HA 0.645 4.986 4.340 0.001 0.000 0.259 116 L C -2.275 174.687 176.870 0.152 0.000 1.027 116 L CA -2.887 52.036 54.840 0.139 0.000 0.828 116 L CB 1.704 43.866 42.059 0.172 0.000 1.380 116 L HN 0.090 nan 8.230 nan 0.000 0.425 117 P HA 0.109 nan 4.420 nan 0.000 0.263 117 P C 0.615 178.037 177.300 0.203 0.000 1.195 117 P CA 0.755 63.923 63.100 0.114 0.000 0.762 117 P CB 0.564 32.305 31.700 0.069 0.000 0.799 118 G N 2.816 111.720 108.800 0.173 0.000 2.176 118 G HA2 -0.322 3.639 3.960 0.001 0.000 0.253 118 G HA3 -0.322 3.639 3.960 0.001 0.000 0.253 118 G C 1.203 176.189 174.900 0.144 0.000 0.979 118 G CA 0.531 45.753 45.100 0.203 0.000 0.641 118 G HN 0.612 nan 8.290 nan 0.000 0.530 119 S N -0.621 115.163 115.700 0.139 0.000 2.507 119 S HA 0.041 4.511 4.470 0.001 0.000 0.235 119 S C 1.649 176.131 174.600 -0.198 0.000 0.988 119 S CA 1.597 59.703 58.200 -0.157 0.000 0.944 119 S CB -0.017 63.213 63.200 0.050 0.000 0.762 119 S HN 0.640 nan 8.310 nan 0.000 0.526 120 Q N 0.216 119.964 119.800 -0.086 0.000 2.247 120 Q HA 0.391 4.732 4.340 0.001 0.000 0.204 120 Q C -0.335 175.622 176.000 -0.071 0.000 0.872 120 Q CA -0.310 55.447 55.803 -0.076 0.000 0.951 120 Q CB 0.188 28.906 28.738 -0.034 0.000 1.099 120 Q HN 0.538 nan 8.270 nan 0.000 0.501 121 L N 2.705 123.881 121.223 -0.079 0.000 2.490 121 L HA 0.066 4.406 4.340 0.001 0.000 0.274 121 L C -2.028 174.801 176.870 -0.069 0.000 1.201 121 L CA -1.619 53.190 54.840 -0.051 0.000 0.869 121 L CB 0.059 42.106 42.059 -0.019 0.000 1.123 121 L HN -0.122 nan 8.230 nan 0.000 0.484 122 P HA -0.013 nan 4.420 nan 0.000 0.260 122 P C 0.674 177.956 177.300 -0.030 0.000 1.172 122 P CA 1.033 64.112 63.100 -0.034 0.000 0.760 122 P CB 0.623 32.313 31.700 -0.016 0.000 0.773 123 G N 1.465 110.245 108.800 -0.034 0.000 2.259 123 G HA2 -0.193 3.767 3.960 0.001 0.000 0.217 123 G HA3 -0.193 3.767 3.960 0.001 0.000 0.217 123 G C -0.094 174.779 174.900 -0.044 0.000 1.001 123 G CA -0.237 44.857 45.100 -0.010 0.000 0.627 123 G HN 0.509 nan 8.290 nan 0.000 0.501 124 V N 2.694 122.526 119.914 -0.136 0.000 2.368 124 V HA 0.608 4.728 4.120 0.001 0.000 0.266 124 V C 0.822 176.818 176.094 -0.164 0.000 1.045 124 V CA 0.061 62.214 62.300 -0.246 0.000 0.899 124 V CB 0.714 32.195 31.823 -0.571 0.000 1.006 124 V HN 1.175 nan 8.190 nan 0.000 0.470 125 V N 2.106 121.961 119.914 -0.098 0.000 3.167 125 V HA 0.975 5.096 4.120 0.001 0.000 0.310 125 V C -0.174 175.895 176.094 -0.042 0.000 1.207 125 V CA -0.480 61.780 62.300 -0.067 0.000 1.059 125 V CB 2.272 34.062 31.823 -0.056 0.000 1.079 125 V HN 0.754 nan 8.190 nan 0.000 0.446 126 T N -0.652 113.880 114.554 -0.036 0.000 2.907 126 T HA 0.767 5.117 4.350 0.001 0.000 0.290 126 T C -0.889 173.798 174.700 -0.022 0.000 1.066 126 T CA -0.669 61.420 62.100 -0.018 0.000 1.012 126 T CB 1.949 70.809 68.868 -0.014 0.000 1.184 126 T HN 1.084 nan 8.240 nan 0.000 0.522 127 L N 1.397 122.615 121.223 -0.009 0.000 2.442 127 L HA 0.618 4.958 4.340 0.001 0.000 0.261 127 L C 0.419 177.294 176.870 0.008 0.000 1.000 127 L CA -0.676 54.158 54.840 -0.011 0.000 0.882 127 L CB 1.376 43.428 42.059 -0.010 0.000 1.207 127 L HN 0.811 nan 8.230 nan 0.000 0.443 128 R N 1.397 121.910 120.500 0.022 0.000 2.320 128 R HA 0.257 4.598 4.340 0.001 0.000 0.193 128 R C 0.396 176.752 176.300 0.093 0.000 0.885 128 R CA 1.223 57.349 56.100 0.043 0.000 1.085 128 R CB 0.442 30.763 30.300 0.034 0.000 1.253 128 R HN 0.605 nan 8.270 nan 0.000 0.636 129 T N -2.780 111.841 114.554 0.112 0.000 2.940 129 T HA 0.181 4.532 4.350 0.001 0.000 0.288 129 T C 0.577 175.392 174.700 0.190 0.000 1.045 129 T CA -0.582 61.649 62.100 0.218 0.000 1.018 129 T CB 0.804 69.796 68.868 0.205 0.000 1.151 129 T HN 0.094 nan 8.240 nan 0.000 0.529 130 Y N 1.721 122.037 120.300 0.027 0.000 2.128 130 Y HA 0.025 4.575 4.550 0.000 0.000 0.284 130 Y C 2.500 178.332 175.900 -0.113 0.000 1.154 130 Y CA 2.056 60.024 58.100 -0.220 0.000 1.149 130 Y CB -1.182 36.852 38.460 -0.709 0.000 0.976 130 Y HN 0.870 nan 8.280 nan 0.000 0.505 131 G N 0.322 109.064 108.800 -0.097 0.000 2.556 131 G HA2 -0.372 3.589 3.960 0.001 0.000 0.220 131 G HA3 -0.372 3.589 3.960 0.001 0.000 0.220 131 G C 1.452 176.251 174.900 -0.167 0.000 1.156 131 G CA 1.427 46.436 45.100 -0.152 0.000 0.766 131 G HN 0.444 nan 8.290 nan 0.000 0.583 132 D N 0.014 120.362 120.400 -0.088 0.000 2.149 132 D HA -0.086 4.554 4.640 0.001 0.000 0.198 132 D C 2.752 178.954 176.300 -0.164 0.000 0.990 132 D CA 0.962 54.902 54.000 -0.101 0.000 0.839 132 D CB -0.466 40.305 40.800 -0.048 0.000 0.948 132 D HN 0.268 nan 8.370 nan 0.000 0.460 133 V N 0.941 120.763 119.914 -0.154 0.000 2.427 133 V HA -0.225 3.896 4.120 0.001 0.000 0.248 133 V C 2.481 178.411 176.094 -0.273 0.000 1.051 133 V CA 1.405 63.593 62.300 -0.187 0.000 1.048 133 V CB -0.522 31.272 31.823 -0.049 0.000 0.666 133 V HN 0.180 nan 8.190 nan 0.000 0.456 134 Q N -0.329 119.270 119.800 -0.334 0.000 2.061 134 Q HA -0.180 4.160 4.340 0.001 0.000 0.204 134 Q C 2.409 178.249 176.000 -0.267 0.000 0.984 134 Q CA 1.935 57.536 55.803 -0.336 0.000 0.846 134 Q CB -0.400 28.076 28.738 -0.438 0.000 0.902 134 Q HN 0.528 nan 8.270 nan 0.000 0.421 135 V N 1.220 120.986 119.914 -0.246 0.000 2.332 135 V HA -0.279 3.841 4.120 0.001 0.000 0.248 135 V C 2.237 178.164 176.094 -0.279 0.000 1.055 135 V CA 1.581 63.756 62.300 -0.209 0.000 1.038 135 V CB -0.525 31.200 31.823 -0.163 0.000 0.651 135 V HN 0.344 nan 8.190 nan 0.000 0.450 136 L N -0.729 120.256 121.223 -0.397 0.000 1.976 136 L HA -0.190 4.150 4.340 0.001 0.000 0.209 136 L C 2.853 179.180 176.870 -0.905 0.000 1.071 136 L CA 1.825 56.232 54.840 -0.722 0.000 0.746 136 L CB -0.499 41.043 42.059 -0.862 0.000 0.890 136 L HN 0.217 nan 8.230 nan 0.000 0.432 137 R N -0.296 119.827 120.500 -0.628 0.000 2.105 137 R HA -0.173 4.167 4.340 0.001 0.000 0.239 137 R C 1.762 177.962 176.300 -0.167 0.000 1.135 137 R CA 1.494 57.377 56.100 -0.361 0.000 0.967 137 R CB -0.356 29.820 30.300 -0.207 0.000 0.861 137 R HN 0.399 nan 8.270 nan 0.000 0.442 138 D N -0.342 119.955 120.400 -0.172 0.000 2.269 138 D HA -0.087 4.554 4.640 0.001 0.000 0.208 138 D C 1.860 178.131 176.300 -0.049 0.000 0.963 138 D CA 1.392 55.337 54.000 -0.091 0.000 0.864 138 D CB 0.043 40.783 40.800 -0.101 0.000 0.936 138 D HN 0.238 nan 8.370 nan 0.000 0.505 139 S N -1.195 114.458 115.700 -0.079 0.000 2.478 139 S HA -0.038 4.433 4.470 0.001 0.000 0.222 139 S C 0.582 175.304 174.600 0.205 0.000 1.008 139 S CA -0.354 57.861 58.200 0.024 0.000 0.928 139 S CB -0.094 63.103 63.200 -0.005 0.000 0.781 139 S HN 0.035 nan 8.310 nan 0.000 0.518 140 W N 3.735 125.026 121.300 -0.016 0.000 2.272 140 W HA 0.588 5.248 4.660 -0.000 0.000 0.318 140 W C 0.818 177.332 176.519 -0.009 0.000 1.255 140 W CA -0.977 56.361 57.345 -0.011 0.000 1.200 140 W CB 0.407 29.860 29.460 -0.011 0.000 1.170 140 W HN 0.293 nan 8.180 nan 0.000 0.549 141 T N -1.833 112.834 114.554 0.188 0.000 2.883 141 T HA 0.282 4.632 4.350 0.001 0.000 0.284 141 T C 0.894 175.616 174.700 0.037 0.000 1.041 141 T CA -0.506 61.651 62.100 0.095 0.000 1.007 141 T CB 1.749 70.654 68.868 0.061 0.000 1.220 141 T HN 0.191 nan 8.240 nan 0.000 0.552 142 S N -0.657 115.055 115.700 0.020 0.000 2.447 142 S HA 0.062 4.532 4.470 0.001 0.000 0.233 142 S C 1.871 176.452 174.600 -0.031 0.000 1.006 142 S CA 0.941 59.136 58.200 -0.008 0.000 0.957 142 S CB -1.033 62.166 63.200 -0.001 0.000 0.773 142 S HN 0.878 nan 8.310 nan 0.000 0.507 143 A N 0.245 123.052 122.820 -0.022 0.000 2.275 143 A HA 0.310 4.630 4.320 0.001 0.000 0.212 143 A C 0.921 178.475 177.584 -0.050 0.000 1.201 143 A CA -0.062 51.957 52.037 -0.030 0.000 0.843 143 A CB -0.328 18.664 19.000 -0.012 0.000 0.873 143 A HN 0.390 nan 8.150 nan 0.000 0.492 144 T N 1.902 116.410 114.554 -0.076 0.000 2.908 144 T HA 0.126 4.476 4.350 0.001 0.000 0.301 144 T C 0.253 174.860 174.700 -0.155 0.000 1.019 144 T CA 0.535 62.562 62.100 -0.121 0.000 1.152 144 T CB 0.084 68.821 68.868 -0.218 0.000 0.966 144 T HN 0.369 nan 8.240 nan 0.000 0.540 145 R N 2.564 123.002 120.500 -0.103 0.000 2.215 145 R HA 0.394 4.735 4.340 0.001 0.000 0.337 145 R C -0.634 175.606 176.300 -0.101 0.000 1.010 145 R CA -0.844 55.202 56.100 -0.090 0.000 0.871 145 R CB 0.771 31.055 30.300 -0.027 0.000 1.134 145 R HN 0.363 nan 8.270 nan 0.000 0.477 146 L N 4.452 125.573 121.223 -0.169 0.000 2.289 146 L HA 0.475 4.815 4.340 0.001 0.000 0.285 146 L C -1.186 175.641 176.870 -0.071 0.000 1.049 146 L CA -0.418 54.333 54.840 -0.147 0.000 0.804 146 L CB 1.246 43.114 42.059 -0.317 0.000 1.195 146 L HN 0.565 nan 8.230 nan 0.000 0.428 147 L N 6.019 127.236 121.223 -0.011 0.000 2.333 147 L HA 0.620 4.960 4.340 0.001 0.000 0.280 147 L C -1.118 175.756 176.870 0.007 0.000 1.004 147 L CA -0.348 54.478 54.840 -0.023 0.000 0.820 147 L CB 1.370 43.422 42.059 -0.011 0.000 1.247 147 L HN 0.651 nan 8.230 nan 0.000 0.416 148 I N 5.482 126.037 120.570 -0.026 0.000 2.339 148 I HA 0.295 4.465 4.170 0.001 0.000 0.290 148 I C -0.551 175.555 176.117 -0.018 0.000 0.994 148 I CA -0.793 60.508 61.300 0.002 0.000 1.191 148 I CB 1.832 39.830 38.000 -0.004 0.000 1.343 148 I HN 0.254 nan 8.210 nan 0.000 0.458 149 V N 5.844 125.770 119.914 0.020 0.000 2.334 149 V HA 0.700 4.820 4.120 0.001 0.000 0.267 149 V C 0.499 176.598 176.094 0.009 0.000 1.040 149 V CA -0.367 61.941 62.300 0.015 0.000 0.866 149 V CB 0.378 32.249 31.823 0.081 0.000 1.019 149 V HN 1.060 nan 8.190 nan 0.000 0.468 150 G N 3.513 112.304 108.800 -0.015 0.000 3.444 150 G HA2 0.152 4.112 3.960 0.001 0.000 0.685 150 G HA3 0.152 4.112 3.960 0.001 0.000 0.685 150 G C 0.063 174.951 174.900 -0.020 0.000 1.145 150 G CA -0.529 44.563 45.100 -0.012 0.000 0.973 150 G HN 1.204 nan 8.290 nan 0.000 0.525 151 G N 0.946 109.730 108.800 -0.026 0.000 4.084 151 G HA2 0.670 4.631 3.960 0.001 0.000 0.293 151 G HA3 0.670 4.631 3.960 0.001 0.000 0.293 151 G C 0.904 175.789 174.900 -0.025 0.000 1.303 151 G CA 0.882 45.964 45.100 -0.030 0.000 1.289 151 G HN 1.220 nan 8.290 nan 0.000 0.609 152 G N -0.237 108.550 108.800 -0.021 0.000 2.531 152 G HA2 0.345 4.306 3.960 0.001 0.000 0.253 152 G HA3 0.345 4.306 3.960 0.001 0.000 0.253 152 G C 1.227 176.110 174.900 -0.028 0.000 1.439 152 G CA -0.684 44.403 45.100 -0.022 0.000 1.056 152 G HN 0.193 nan 8.290 nan 0.000 0.555 153 L N -0.374 120.827 121.223 -0.036 0.000 1.994 153 L HA -0.090 4.251 4.340 0.001 0.000 0.208 153 L C 2.837 179.678 176.870 -0.049 0.000 1.071 153 L CA 0.774 55.583 54.840 -0.051 0.000 0.745 153 L CB -0.455 41.557 42.059 -0.079 0.000 0.892 153 L HN 0.302 nan 8.230 nan 0.000 0.431 154 I N 0.314 120.857 120.570 -0.045 0.000 2.315 154 I HA -0.124 4.046 4.170 0.001 0.000 0.248 154 I C 2.716 178.826 176.117 -0.011 0.000 1.117 154 I CA 1.471 62.752 61.300 -0.033 0.000 1.404 154 I CB -2.137 35.846 38.000 -0.028 0.000 1.071 154 I HN 0.212 nan 8.210 nan 0.000 0.419 155 G N 0.508 109.302 108.800 -0.010 0.000 2.491 155 G HA2 -0.277 3.683 3.960 0.001 0.000 0.218 155 G HA3 -0.277 3.683 3.960 0.001 0.000 0.218 155 G C 1.805 176.700 174.900 -0.009 0.000 1.180 155 G CA 1.290 46.388 45.100 -0.004 0.000 0.774 155 G HN 0.433 nan 8.290 nan 0.000 0.562 156 C N 0.304 119.591 119.300 -0.021 0.000 2.440 156 C HA 0.073 4.534 4.460 0.001 0.000 0.278 156 C C 2.756 177.734 174.990 -0.020 0.000 1.295 156 C CA 0.802 59.803 59.018 -0.028 0.000 1.738 156 C CB -0.798 26.919 27.740 -0.037 0.000 1.987 156 C HN 0.571 nan 8.230 nan 0.000 0.492 157 E N 0.595 120.786 120.200 -0.016 0.000 2.051 157 E HA -0.183 4.168 4.350 0.001 0.000 0.192 157 E C 2.165 178.777 176.600 0.019 0.000 0.991 157 E CA 1.389 57.786 56.400 -0.005 0.000 0.799 157 E CB -0.171 29.518 29.700 -0.018 0.000 0.748 157 E HN 0.491 nan 8.360 nan 0.000 0.449 158 V N 1.424 121.359 119.914 0.035 0.000 2.343 158 V HA -0.261 3.859 4.120 0.001 0.000 0.247 158 V C 2.359 178.493 176.094 0.066 0.000 1.051 158 V CA 1.730 64.081 62.300 0.085 0.000 1.036 158 V CB -0.756 31.137 31.823 0.117 0.000 0.654 158 V HN 0.304 nan 8.190 nan 0.000 0.451 159 A N -0.037 122.794 122.820 0.017 0.000 1.908 159 A HA -0.259 4.061 4.320 0.001 0.000 0.218 159 A C 2.410 179.979 177.584 -0.026 0.000 1.181 159 A CA 2.677 54.701 52.037 -0.020 0.000 0.627 159 A CB -1.068 17.909 19.000 -0.037 0.000 0.818 159 A HN 0.505 nan 8.150 nan 0.000 0.445 160 T N -0.280 114.264 114.554 -0.016 0.000 2.652 160 T HA -0.144 4.207 4.350 0.001 0.000 0.267 160 T C 2.051 176.750 174.700 -0.002 0.000 1.039 160 T CA 2.085 64.174 62.100 -0.018 0.000 1.153 160 T CB -0.655 68.204 68.868 -0.015 0.000 0.863 160 T HN 0.565 nan 8.240 nan 0.000 0.428 161 T N 1.909 116.481 114.554 0.028 0.000 2.708 161 T HA -0.008 4.342 4.350 0.001 0.000 0.266 161 T C 2.396 177.135 174.700 0.065 0.000 1.037 161 T CA 1.209 63.345 62.100 0.061 0.000 1.146 161 T CB -0.604 68.326 68.868 0.102 0.000 0.865 161 T HN 0.422 nan 8.240 nan 0.000 0.435 162 A N 1.559 124.407 122.820 0.047 0.000 1.933 162 A HA -0.108 4.212 4.320 0.001 0.000 0.218 162 A C 2.271 179.775 177.584 -0.132 0.000 1.175 162 A CA 1.815 53.791 52.037 -0.101 0.000 0.628 162 A CB -0.491 18.339 19.000 -0.282 0.000 0.814 162 A HN 0.267 nan 8.150 nan 0.000 0.444 163 R N 0.216 120.662 120.500 -0.088 0.000 2.092 163 R HA -0.050 4.290 4.340 0.001 0.000 0.231 163 R C 2.043 178.310 176.300 -0.055 0.000 1.119 163 R CA 1.998 58.050 56.100 -0.081 0.000 0.970 163 R CB -0.519 29.741 30.300 -0.067 0.000 0.864 163 R HN 0.557 nan 8.270 nan 0.000 0.440 164 K N -0.063 120.319 120.400 -0.031 0.000 2.097 164 K HA -0.054 4.266 4.320 0.001 0.000 0.206 164 K C 1.399 177.994 176.600 -0.010 0.000 1.049 164 K CA 1.312 57.589 56.287 -0.016 0.000 0.933 164 K CB -0.100 32.398 32.500 -0.003 0.000 0.717 164 K HN 0.220 nan 8.250 nan 0.000 0.442 165 L N -0.125 121.096 121.223 -0.004 0.000 2.650 165 L HA 0.074 4.414 4.340 0.001 0.000 0.235 165 L C 1.059 177.910 176.870 -0.031 0.000 1.149 165 L CA 0.535 55.380 54.840 0.007 0.000 0.887 165 L CB -0.181 41.915 42.059 0.062 0.000 1.021 165 L HN 0.584 nan 8.230 nan 0.000 0.441 166 G N -0.151 108.617 108.800 -0.054 0.000 2.143 166 G HA2 -0.267 3.694 3.960 0.001 0.000 0.249 166 G HA3 -0.267 3.694 3.960 0.001 0.000 0.249 166 G C 0.008 174.849 174.900 -0.098 0.000 0.981 166 G CA -0.281 44.782 45.100 -0.062 0.000 0.665 166 G HN 0.148 nan 8.290 nan 0.000 0.528 167 L N 1.107 122.235 121.223 -0.158 0.000 2.436 167 L HA 0.617 4.958 4.340 0.001 0.000 0.265 167 L C 1.331 178.098 176.870 -0.171 0.000 1.168 167 L CA 0.450 55.157 54.840 -0.222 0.000 0.815 167 L CB 1.380 43.186 42.059 -0.422 0.000 1.109 167 L HN 0.217 nan 8.230 nan 0.000 0.462 168 S N 1.149 116.757 115.700 -0.152 0.000 2.531 168 S HA 0.467 4.937 4.470 0.001 0.000 0.279 168 S C -0.573 173.944 174.600 -0.138 0.000 1.305 168 S CA -0.525 57.608 58.200 -0.112 0.000 1.058 168 S CB 0.037 63.191 63.200 -0.077 0.000 0.899 168 S HN 0.335 nan 8.310 nan 0.000 0.493 169 V N 5.296 125.145 119.914 -0.109 0.000 2.569 169 V HA 0.460 4.580 4.120 0.001 0.000 0.301 169 V C -0.259 175.786 176.094 -0.081 0.000 1.044 169 V CA -0.752 61.480 62.300 -0.113 0.000 0.874 169 V CB 2.065 33.816 31.823 -0.119 0.000 1.002 169 V HN 0.912 nan 8.190 nan 0.000 0.424 170 T N 5.956 120.458 114.554 -0.085 0.000 2.824 170 T HA 0.675 5.025 4.350 0.001 0.000 0.282 170 T C -0.353 174.269 174.700 -0.131 0.000 0.993 170 T CA -0.235 61.803 62.100 -0.105 0.000 0.967 170 T CB 1.348 70.143 68.868 -0.121 0.000 0.960 170 T HN 0.401 nan 8.240 nan 0.000 0.441 171 I N 3.563 124.057 120.570 -0.127 0.000 2.359 171 I HA 0.387 4.558 4.170 0.001 0.000 0.294 171 I C -0.381 175.634 176.117 -0.171 0.000 0.987 171 I CA -0.801 60.426 61.300 -0.122 0.000 1.225 171 I CB 1.190 39.140 38.000 -0.082 0.000 1.366 171 I HN 0.330 nan 8.210 nan 0.000 0.466 172 L N 5.930 127.044 121.223 -0.182 0.000 2.276 172 L HA 0.456 4.796 4.340 0.001 0.000 0.286 172 L C -0.375 176.432 176.870 -0.104 0.000 1.024 172 L CA -0.479 54.246 54.840 -0.192 0.000 0.826 172 L CB 1.221 43.127 42.059 -0.255 0.000 1.211 172 L HN 0.535 nan 8.230 nan 0.000 0.422 173 E N 2.328 122.481 120.200 -0.079 0.000 2.176 173 E HA 0.480 4.830 4.350 0.001 0.000 0.267 173 E C 0.309 176.887 176.600 -0.037 0.000 0.893 173 E CA -0.367 56.004 56.400 -0.049 0.000 0.761 173 E CB 2.085 31.759 29.700 -0.042 0.000 1.133 173 E HN 0.563 nan 8.360 nan 0.000 0.409 174 A N 3.858 126.662 122.820 -0.027 0.000 1.969 174 A HA 0.153 4.474 4.320 0.001 0.000 0.218 174 A C 1.273 178.850 177.584 -0.013 0.000 1.169 174 A CA 1.243 53.270 52.037 -0.018 0.000 0.635 174 A CB -0.802 18.190 19.000 -0.012 0.000 0.810 174 A HN 0.606 nan 8.150 nan 0.000 0.445 175 G N -0.529 108.263 108.800 -0.013 0.000 2.616 175 G HA2 0.326 4.286 3.960 0.001 0.000 0.268 175 G HA3 0.326 4.286 3.960 0.001 0.000 0.268 175 G C 0.248 175.141 174.900 -0.012 0.000 1.213 175 G CA 0.412 45.506 45.100 -0.011 0.000 0.926 175 G HN 0.357 nan 8.290 nan 0.000 0.523 176 D N -1.833 118.561 120.400 -0.011 0.000 2.349 176 D HA 0.131 4.771 4.640 0.001 0.000 0.224 176 D C 0.509 176.801 176.300 -0.013 0.000 1.029 176 D CA 0.225 54.219 54.000 -0.010 0.000 0.879 176 D CB 0.545 41.340 40.800 -0.008 0.000 0.906 176 D HN 0.291 nan 8.370 nan 0.000 0.528 177 E N -0.704 119.487 120.200 -0.016 0.000 2.401 177 E HA 0.397 4.747 4.350 0.001 0.000 0.280 177 E C -1.609 174.980 176.600 -0.019 0.000 1.039 177 E CA -0.705 55.685 56.400 -0.017 0.000 0.814 177 E CB 1.087 30.776 29.700 -0.017 0.000 1.275 177 E HN 0.018 nan 8.360 nan 0.000 0.448 178 L N 4.295 125.505 121.223 -0.021 0.000 2.371 178 L HA 0.369 4.709 4.340 0.001 0.000 0.272 178 L C 0.621 177.481 176.870 -0.017 0.000 1.124 178 L CA -0.344 54.482 54.840 -0.024 0.000 0.816 178 L CB 0.152 42.191 42.059 -0.033 0.000 1.129 178 L HN 0.745 nan 8.230 nan 0.000 0.448 179 L N 1.786 122.999 121.223 -0.016 0.000 4.429 179 L HA -0.297 4.044 4.340 0.001 0.000 0.422 179 L C 1.328 178.193 176.870 -0.008 0.000 1.149 179 L CA -0.269 54.565 54.840 -0.011 0.000 0.972 179 L CB -1.703 40.352 42.059 -0.007 0.000 2.059 179 L HN 0.511 nan 8.230 nan 0.000 0.870 180 V N -0.295 119.611 119.914 -0.014 0.000 2.287 180 V HA -0.320 3.801 4.120 0.001 0.000 0.248 180 V C 2.596 178.681 176.094 -0.015 0.000 1.053 180 V CA 2.666 64.953 62.300 -0.022 0.000 1.027 180 V CB -0.484 31.323 31.823 -0.027 0.000 0.646 180 V HN 0.617 nan 8.190 nan 0.000 0.447 181 R N -0.426 120.072 120.500 -0.003 0.000 2.081 181 R HA -0.121 4.220 4.340 0.001 0.000 0.235 181 R C 2.076 178.390 176.300 0.022 0.000 1.131 181 R CA 1.817 57.925 56.100 0.012 0.000 0.960 181 R CB -0.161 30.147 30.300 0.013 0.000 0.856 181 R HN 0.405 nan 8.270 nan 0.000 0.436 182 V N 0.257 120.179 119.914 0.014 0.000 2.685 182 V HA -0.031 4.089 4.120 0.001 0.000 0.244 182 V C 1.849 177.957 176.094 0.024 0.000 1.054 182 V CA 1.069 63.380 62.300 0.019 0.000 1.076 182 V CB 0.202 32.027 31.823 0.004 0.000 0.725 182 V HN 0.315 nan 8.190 nan 0.000 0.467 183 L N -0.639 120.594 121.223 0.017 0.000 2.701 183 L HA 0.555 4.895 4.340 0.001 0.000 0.238 183 L C 1.000 177.875 176.870 0.008 0.000 1.106 183 L CA 0.613 55.467 54.840 0.022 0.000 0.898 183 L CB 0.253 42.331 42.059 0.032 0.000 1.188 183 L HN 0.486 nan 8.230 nan 0.000 0.508 184 G N 0.918 109.708 108.800 -0.017 0.000 2.730 184 G HA2 -0.253 3.707 3.960 0.001 0.000 0.686 184 G HA3 -0.253 3.707 3.960 0.001 0.000 0.686 184 G C 0.166 175.021 174.900 -0.074 0.000 1.343 184 G CA 0.043 45.093 45.100 -0.083 0.000 0.826 184 G HN 0.181 nan 8.290 nan 0.000 0.582 185 R N 0.493 120.921 120.500 -0.120 0.000 2.092 185 R HA -0.083 4.257 4.340 0.001 0.000 0.231 185 R C 2.962 179.237 176.300 -0.041 0.000 1.119 185 R CA 1.868 57.922 56.100 -0.077 0.000 0.970 185 R CB -0.250 29.992 30.300 -0.096 0.000 0.864 185 R HN 0.660 nan 8.270 nan 0.000 0.440 186 R N 0.382 120.846 120.500 -0.060 0.000 2.066 186 R HA -0.104 4.236 4.340 0.001 0.000 0.232 186 R C 2.187 178.519 176.300 0.054 0.000 1.131 186 R CA 1.451 57.539 56.100 -0.020 0.000 0.955 186 R CB -1.009 29.258 30.300 -0.055 0.000 0.851 186 R HN 0.286 nan 8.270 nan 0.000 0.432 187 I N 1.666 122.267 120.570 0.053 0.000 2.252 187 I HA -0.130 4.040 4.170 0.001 0.000 0.245 187 I C 2.714 178.960 176.117 0.216 0.000 1.102 187 I CA 1.610 63.015 61.300 0.176 0.000 1.385 187 I CB -0.716 37.352 38.000 0.113 0.000 1.064 187 I HN 0.362 nan 8.210 nan 0.000 0.414 188 G N 0.496 109.351 108.800 0.092 0.000 2.446 188 G HA2 -0.272 3.688 3.960 0.001 0.000 0.217 188 G HA3 -0.272 3.688 3.960 0.001 0.000 0.217 188 G C 1.869 176.792 174.900 0.038 0.000 1.168 188 G CA 0.882 46.009 45.100 0.046 0.000 0.771 188 G HN 0.489 nan 8.290 nan 0.000 0.551 189 A N 0.073 122.925 122.820 0.053 0.000 1.883 189 A HA -0.103 4.217 4.320 0.001 0.000 0.217 189 A C 2.166 179.799 177.584 0.082 0.000 1.186 189 A CA 1.792 53.859 52.037 0.049 0.000 0.624 189 A CB -0.842 18.186 19.000 0.046 0.000 0.822 189 A HN 0.614 nan 8.150 nan 0.000 0.444 190 W N 0.718 121.986 121.300 -0.054 0.000 2.333 190 W HA -0.173 4.488 4.660 0.001 0.000 0.316 190 W C 1.737 178.216 176.519 -0.067 0.000 1.215 190 W CA 1.995 59.301 57.345 -0.064 0.000 1.278 190 W CB -0.585 28.826 29.460 -0.082 0.000 1.154 190 W HN 0.242 nan 8.180 nan 0.000 0.486 191 L N 0.612 121.667 121.223 -0.279 0.000 2.083 191 L HA -0.212 4.129 4.340 0.001 0.000 0.209 191 L C 2.824 179.528 176.870 -0.277 0.000 1.083 191 L CA 1.930 56.498 54.840 -0.454 0.000 0.752 191 L CB -1.057 40.856 42.059 -0.243 0.000 0.899 191 L HN 0.042 nan 8.230 nan 0.000 0.433 192 R N 0.438 120.849 120.500 -0.148 0.000 2.091 192 R HA -0.166 4.175 4.340 0.001 0.000 0.238 192 R C 2.263 178.492 176.300 -0.118 0.000 1.136 192 R CA 1.693 57.729 56.100 -0.106 0.000 0.959 192 R CB -0.585 29.681 30.300 -0.058 0.000 0.856 192 R HN 0.376 nan 8.270 nan 0.000 0.437 193 G N 1.155 109.879 108.800 -0.126 0.000 2.418 193 G HA2 -0.224 3.737 3.960 0.001 0.000 0.217 193 G HA3 -0.224 3.737 3.960 0.001 0.000 0.217 193 G C 1.521 176.332 174.900 -0.148 0.000 1.158 193 G CA 0.738 45.775 45.100 -0.106 0.000 0.771 193 G HN 0.242 nan 8.290 nan 0.000 0.545 194 L N -0.200 120.862 121.223 -0.268 0.000 2.046 194 L HA -0.041 4.299 4.340 0.001 0.000 0.208 194 L C 2.949 179.721 176.870 -0.163 0.000 1.077 194 L CA 0.674 55.359 54.840 -0.258 0.000 0.747 194 L CB -0.461 41.328 42.059 -0.450 0.000 0.896 194 L HN 0.205 nan 8.230 nan 0.000 0.432 195 L N -0.885 120.242 121.223 -0.159 0.000 2.017 195 L HA -0.196 4.144 4.340 0.001 0.000 0.208 195 L C 2.654 179.475 176.870 -0.081 0.000 1.073 195 L CA 1.485 56.260 54.840 -0.108 0.000 0.745 195 L CB -0.846 41.151 42.059 -0.102 0.000 0.894 195 L HN 0.225 nan 8.230 nan 0.000 0.432 196 T N -0.940 113.567 114.554 -0.077 0.000 2.665 196 T HA -0.269 4.082 4.350 0.001 0.000 0.268 196 T C 1.793 176.465 174.700 -0.047 0.000 1.035 196 T CA 1.829 63.896 62.100 -0.055 0.000 1.151 196 T CB -0.166 68.674 68.868 -0.046 0.000 0.862 196 T HN 0.249 nan 8.240 nan 0.000 0.438 197 E N 0.762 120.930 120.200 -0.053 0.000 2.204 197 E HA 0.001 4.351 4.350 0.001 0.000 0.194 197 E C 1.845 178.422 176.600 -0.039 0.000 0.989 197 E CA 0.743 57.119 56.400 -0.040 0.000 0.824 197 E CB -0.464 29.213 29.700 -0.039 0.000 0.756 197 E HN 0.466 nan 8.360 nan 0.000 0.477 198 L N -1.238 119.956 121.223 -0.049 0.000 2.465 198 L HA 0.106 4.447 4.340 0.001 0.000 0.224 198 L C 1.508 178.352 176.870 -0.043 0.000 1.145 198 L CA 0.662 55.475 54.840 -0.045 0.000 0.834 198 L CB -0.080 41.947 42.059 -0.053 0.000 0.944 198 L HN 0.470 nan 8.230 nan 0.000 0.451 199 G N -0.726 108.049 108.800 -0.042 0.000 2.163 199 G HA2 -0.221 3.739 3.960 0.001 0.000 0.213 199 G HA3 -0.221 3.739 3.960 0.001 0.000 0.213 199 G C 0.196 175.070 174.900 -0.044 0.000 0.991 199 G CA -0.119 44.958 45.100 -0.039 0.000 0.653 199 G HN 0.047 nan 8.290 nan 0.000 0.518 200 V N 1.271 121.154 119.914 -0.051 0.000 2.637 200 V HA 0.364 4.485 4.120 0.001 0.000 0.296 200 V C 0.918 176.984 176.094 -0.045 0.000 1.046 200 V CA 0.511 62.778 62.300 -0.055 0.000 1.066 200 V CB 1.676 33.461 31.823 -0.063 0.000 0.968 200 V HN 0.516 nan 8.190 nan 0.000 0.483 201 Q N 4.225 124.000 119.800 -0.041 0.000 2.361 201 Q HA 0.370 4.710 4.340 0.001 0.000 0.250 201 Q C -1.116 174.857 176.000 -0.045 0.000 1.023 201 Q CA -0.362 55.426 55.803 -0.025 0.000 0.915 201 Q CB 1.118 29.858 28.738 0.002 0.000 1.238 201 Q HN 0.632 nan 8.270 nan 0.000 0.451 202 V N 4.946 124.836 119.914 -0.040 0.000 2.364 202 V HA 0.228 4.348 4.120 0.001 0.000 0.272 202 V C -0.265 175.805 176.094 -0.040 0.000 1.036 202 V CA -0.503 61.766 62.300 -0.051 0.000 0.880 202 V CB 1.305 33.099 31.823 -0.049 0.000 0.991 202 V HN 0.738 nan 8.190 nan 0.000 0.460 203 E N 5.827 125.986 120.200 -0.068 0.000 2.121 203 E HA 0.427 4.777 4.350 0.001 0.000 0.255 203 E C -0.482 176.089 176.600 -0.049 0.000 0.906 203 E CA -0.262 56.108 56.400 -0.049 0.000 0.745 203 E CB 1.722 31.362 29.700 -0.100 0.000 1.155 203 E HN 0.541 nan 8.360 nan 0.000 0.424 204 L N -0.108 121.101 121.223 -0.024 0.000 2.468 204 L HA 0.372 4.712 4.340 0.001 0.000 0.254 204 L C 1.420 178.283 176.870 -0.010 0.000 1.171 204 L CA -0.337 54.491 54.840 -0.021 0.000 0.809 204 L CB 0.432 42.482 42.059 -0.015 0.000 1.155 204 L HN 0.724 nan 8.230 nan 0.000 0.473 205 G N 0.775 109.569 108.800 -0.011 0.000 2.379 205 G HA2 -0.244 3.717 3.960 0.001 0.000 0.297 205 G HA3 -0.244 3.717 3.960 0.001 0.000 0.297 205 G C 0.093 174.992 174.900 -0.001 0.000 1.004 205 G CA 0.524 45.621 45.100 -0.005 0.000 0.921 205 G HN 0.591 nan 8.290 nan 0.000 0.511 206 T N -0.453 114.095 114.554 -0.011 0.000 2.879 206 T HA 0.674 5.025 4.350 0.001 0.000 0.290 206 T C 0.587 175.271 174.700 -0.027 0.000 0.993 206 T CA 0.114 62.209 62.100 -0.008 0.000 0.975 206 T CB 2.064 70.930 68.868 -0.004 0.000 0.981 206 T HN 0.937 nan 8.240 nan 0.000 0.439 207 G N 1.025 109.814 108.800 -0.018 0.000 2.552 207 G HA2 0.685 4.645 3.960 0.001 0.000 0.324 207 G HA3 0.685 4.645 3.960 0.001 0.000 0.324 207 G C -1.103 173.769 174.900 -0.046 0.000 1.217 207 G CA -0.645 44.438 45.100 -0.029 0.000 0.989 207 G HN 0.661 nan 8.290 nan 0.000 0.490 208 V N 0.289 120.163 119.914 -0.067 0.000 2.495 208 V HA 0.358 4.478 4.120 0.001 0.000 0.298 208 V C 0.955 176.969 176.094 -0.133 0.000 1.031 208 V CA -0.332 61.888 62.300 -0.135 0.000 0.871 208 V CB 1.607 33.315 31.823 -0.193 0.000 0.988 208 V HN 0.865 nan 8.190 nan 0.000 0.432 209 V N 1.182 120.999 119.914 -0.162 0.000 3.645 209 V HA 0.831 4.951 4.120 0.001 0.000 0.275 209 V C 0.575 176.582 176.094 -0.145 0.000 1.356 209 V CA 0.871 63.104 62.300 -0.112 0.000 1.051 209 V CB 0.251 32.036 31.823 -0.063 0.000 0.828 209 V HN 1.050 nan 8.190 nan 0.000 0.441 210 G N -0.388 108.227 108.800 -0.308 0.000 2.441 210 G HA2 0.570 4.530 3.960 0.001 0.000 0.294 210 G HA3 0.570 4.530 3.960 0.001 0.000 0.294 210 G C -2.022 172.515 174.900 -0.605 0.000 1.393 210 G CA -0.690 44.229 45.100 -0.302 0.000 0.796 210 G HN 0.114 nan 8.290 nan 0.000 0.494 211 F N 0.030 119.997 119.950 0.029 0.000 2.565 211 F HA 0.783 5.310 4.527 0.001 0.000 0.313 211 F C 0.409 176.225 175.800 0.027 0.000 1.091 211 F CA -0.735 57.284 58.000 0.032 0.000 0.915 211 F CB 2.883 41.900 39.000 0.028 0.000 1.208 211 F HN 0.416 nan 8.300 nan 0.000 0.453 212 S N 0.457 116.274 115.700 0.195 0.000 2.568 212 S HA 0.952 5.423 4.470 0.001 0.000 0.293 212 S C -0.382 174.279 174.600 0.101 0.000 1.089 212 S CA -0.733 57.536 58.200 0.114 0.000 0.945 212 S CB 2.139 65.379 63.200 0.068 0.000 1.077 212 S HN 1.137 nan 8.310 nan 0.000 0.485 213 G N 0.927 109.770 108.800 0.070 0.000 2.347 213 G HA2 0.280 4.240 3.960 0.001 0.000 0.303 213 G HA3 0.280 4.240 3.960 0.001 0.000 0.303 213 G C -2.030 172.893 174.900 0.039 0.000 1.481 213 G CA -0.859 44.273 45.100 0.054 0.000 0.914 213 G HN 0.541 nan 8.290 nan 0.000 0.638 214 E N 0.570 120.788 120.200 0.030 0.000 1.924 214 E HA 0.435 4.785 4.350 0.001 0.000 0.261 214 E C 1.193 177.805 176.600 0.020 0.000 1.088 214 E CA 0.432 56.846 56.400 0.023 0.000 0.909 214 E CB 0.694 30.404 29.700 0.018 0.000 1.112 214 E HN 1.757 nan 8.360 nan 0.000 0.425 215 G N 3.439 112.250 108.800 0.019 0.000 2.205 215 G HA2 -0.313 3.648 3.960 0.001 0.000 0.261 215 G HA3 -0.313 3.648 3.960 0.001 0.000 0.261 215 G C 0.161 175.069 174.900 0.013 0.000 0.980 215 G CA 0.746 45.854 45.100 0.014 0.000 0.632 215 G HN 0.542 nan 8.290 nan 0.000 0.533 216 Q N -1.481 118.331 119.800 0.020 0.000 2.633 216 Q HA 0.670 5.010 4.340 0.001 0.000 0.289 216 Q C -0.681 175.340 176.000 0.035 0.000 0.940 216 Q CA -1.217 54.598 55.803 0.020 0.000 0.785 216 Q CB 1.087 29.837 28.738 0.020 0.000 1.467 216 Q HN 0.833 nan 8.270 nan 0.000 0.401 217 L N 1.402 122.647 121.223 0.036 0.000 2.559 217 L HA 0.053 4.393 4.340 0.001 0.000 0.274 217 L C 0.073 176.987 176.870 0.073 0.000 1.205 217 L CA 1.390 56.270 54.840 0.068 0.000 0.907 217 L CB 0.245 42.343 42.059 0.064 0.000 1.153 217 L HN 0.893 nan 8.230 nan 0.000 0.490 218 E N 2.525 122.777 120.200 0.086 0.000 2.441 218 E HA 0.201 4.551 4.350 0.001 0.000 0.207 218 E C -0.310 176.341 176.600 0.086 0.000 0.803 218 E CA -0.069 56.374 56.400 0.071 0.000 1.240 218 E CB 0.633 30.365 29.700 0.052 0.000 1.233 218 E HN 0.666 nan 8.360 nan 0.000 0.590 219 Q N 0.774 120.641 119.800 0.111 0.000 2.379 219 Q HA 0.450 4.790 4.340 0.001 0.000 0.278 219 Q C -1.435 174.652 176.000 0.144 0.000 1.068 219 Q CA -0.596 55.274 55.803 0.112 0.000 0.816 219 Q CB 3.531 32.308 28.738 0.065 0.000 1.387 219 Q HN -0.094 nan 8.270 nan 0.000 0.413 220 V N 2.585 122.581 119.914 0.137 0.000 2.384 220 V HA 0.406 4.526 4.120 0.001 0.000 0.287 220 V C -0.519 175.595 176.094 0.034 0.000 1.020 220 V CA -0.617 61.703 62.300 0.035 0.000 0.850 220 V CB 1.334 33.190 31.823 0.054 0.000 0.987 220 V HN 0.743 nan 8.190 nan 0.000 0.436 221 M N 4.627 124.165 119.600 -0.103 0.000 2.108 221 M HA 0.600 5.081 4.480 0.001 0.000 0.354 221 M C 0.350 176.623 176.300 -0.045 0.000 1.229 221 M CA 0.337 55.607 55.300 -0.049 0.000 1.081 221 M CB 1.299 33.854 32.600 -0.074 0.000 1.606 221 M HN 0.739 nan 8.290 nan 0.000 0.467 222 A N 1.972 124.834 122.820 0.069 0.000 2.302 222 A HA 0.489 4.810 4.320 0.001 0.000 0.285 222 A C 1.185 178.782 177.584 0.022 0.000 1.105 222 A CA -0.164 51.923 52.037 0.082 0.000 0.816 222 A CB 0.282 19.443 19.000 0.268 0.000 1.067 222 A HN 0.991 nan 8.150 nan 0.000 0.489 223 S N 0.604 116.309 115.700 0.008 0.000 2.392 223 S HA -0.250 4.220 4.470 0.001 0.000 0.232 223 S C 0.936 175.539 174.600 0.005 0.000 1.041 223 S CA 1.877 60.076 58.200 -0.002 0.000 1.026 223 S CB -0.626 62.572 63.200 -0.003 0.000 0.845 223 S HN 0.864 nan 8.310 nan 0.000 0.465 224 D N 0.110 120.521 120.400 0.019 0.000 2.340 224 D HA 0.337 4.977 4.640 0.001 0.000 0.220 224 D C 1.394 177.694 176.300 -0.001 0.000 1.039 224 D CA 0.611 54.618 54.000 0.012 0.000 0.866 224 D CB -0.430 40.383 40.800 0.022 0.000 0.913 224 D HN 0.635 nan 8.370 nan 0.000 0.523 225 G N -0.068 108.729 108.800 -0.005 0.000 2.232 225 G HA2 -0.284 3.676 3.960 0.001 0.000 0.226 225 G HA3 -0.284 3.676 3.960 0.001 0.000 0.226 225 G C 0.389 175.260 174.900 -0.048 0.000 0.996 225 G CA -0.250 44.836 45.100 -0.024 0.000 0.626 225 G HN 0.415 nan 8.290 nan 0.000 0.509 226 R N 0.756 121.222 120.500 -0.057 0.000 2.694 226 R HA 0.536 4.877 4.340 0.001 0.000 0.268 226 R C -0.103 176.092 176.300 -0.175 0.000 1.061 226 R CA 0.593 56.591 56.100 -0.169 0.000 1.133 226 R CB 0.704 30.850 30.300 -0.255 0.000 1.020 226 R HN 0.197 nan 8.270 nan 0.000 0.475 227 S N 1.265 116.784 115.700 -0.303 0.000 2.532 227 S HA 0.571 5.042 4.470 0.001 0.000 0.301 227 S C -1.246 173.112 174.600 -0.403 0.000 1.083 227 S CA -0.606 57.476 58.200 -0.197 0.000 1.025 227 S CB 0.833 63.967 63.200 -0.109 0.000 1.056 227 S HN 0.306 nan 8.310 nan 0.000 0.494 228 F N 1.330 121.266 119.950 -0.025 0.000 2.529 228 F HA 0.443 4.970 4.527 0.000 0.000 0.320 228 F C -0.163 175.636 175.800 -0.002 0.000 1.118 228 F CA -0.881 57.109 58.000 -0.015 0.000 0.915 228 F CB 1.442 40.432 39.000 -0.017 0.000 1.161 228 F HN 0.167 nan 8.300 nan 0.000 0.445 229 V N 3.415 123.413 119.914 0.141 0.000 2.432 229 V HA 0.721 4.842 4.120 0.001 0.000 0.271 229 V C -0.022 176.132 176.094 0.100 0.000 1.046 229 V CA -0.289 62.064 62.300 0.089 0.000 0.945 229 V CB 0.580 32.428 31.823 0.042 0.000 0.992 229 V HN 0.855 nan 8.190 nan 0.000 0.471 230 A N 3.630 126.507 122.820 0.094 0.000 2.540 230 A HA 0.595 4.916 4.320 0.001 0.000 0.297 230 A C 0.239 177.867 177.584 0.074 0.000 1.056 230 A CA -0.442 51.641 52.037 0.077 0.000 0.700 230 A CB 1.434 20.492 19.000 0.096 0.000 1.280 230 A HN 0.787 nan 8.150 nan 0.000 0.398 231 D N 0.568 120.999 120.400 0.052 0.000 2.367 231 D HA 0.098 4.739 4.640 0.001 0.000 0.207 231 D C 0.377 176.727 176.300 0.084 0.000 1.034 231 D CA 0.592 54.628 54.000 0.061 0.000 0.861 231 D CB 0.696 41.524 40.800 0.047 0.000 0.943 231 D HN 0.317 nan 8.370 nan 0.000 0.515 232 S N -0.142 115.612 115.700 0.090 0.000 2.647 232 S HA 0.591 5.061 4.470 0.001 0.000 0.300 232 S C -1.415 173.259 174.600 0.124 0.000 1.129 232 S CA -0.575 57.713 58.200 0.147 0.000 1.029 232 S CB 1.429 64.798 63.200 0.282 0.000 1.007 232 S HN 0.322 nan 8.310 nan 0.000 0.484 233 A N 4.411 127.295 122.820 0.107 0.000 2.311 233 A HA 0.734 5.055 4.320 0.001 0.000 0.306 233 A C -1.120 176.510 177.584 0.077 0.000 1.189 233 A CA -0.564 51.537 52.037 0.108 0.000 0.791 233 A CB 0.840 19.936 19.000 0.159 0.000 1.172 233 A HN 0.795 nan 8.150 nan 0.000 0.481 234 L N 4.545 125.829 121.223 0.102 0.000 2.265 234 L HA 0.479 4.819 4.340 0.001 0.000 0.289 234 L C -0.782 176.127 176.870 0.064 0.000 1.033 234 L CA -0.465 54.426 54.840 0.084 0.000 0.814 234 L CB 0.836 42.972 42.059 0.129 0.000 1.203 234 L HN 0.553 nan 8.230 nan 0.000 0.423 235 I N 5.256 125.851 120.570 0.041 0.000 2.363 235 I HA 0.129 4.300 4.170 0.001 0.000 0.292 235 I C -0.113 176.024 176.117 0.032 0.000 1.075 235 I CA -0.036 61.293 61.300 0.048 0.000 1.333 235 I CB 0.268 38.287 38.000 0.033 0.000 1.415 235 I HN 0.630 nan 8.210 nan 0.000 0.502 236 C N 6.258 125.577 119.300 0.031 0.000 3.276 236 C HA 0.228 4.688 4.460 0.001 0.000 0.226 236 C C 1.281 176.278 174.990 0.012 0.000 1.502 236 C CA -0.550 58.478 59.018 0.017 0.000 1.488 236 C CB -0.665 27.084 27.740 0.014 0.000 2.014 236 C HN 0.663 nan 8.230 nan 0.000 0.492 237 V N -0.666 119.258 119.914 0.017 0.000 3.177 237 V HA 0.724 4.845 4.120 0.001 0.000 0.342 237 V C 0.783 176.883 176.094 0.010 0.000 1.379 237 V CA 0.471 62.779 62.300 0.014 0.000 1.191 237 V CB -0.842 30.995 31.823 0.023 0.000 1.167 237 V HN 0.955 nan 8.190 nan 0.000 0.471 238 G N -0.325 108.478 108.800 0.005 0.000 2.566 238 G HA2 0.454 4.414 3.960 0.001 0.000 0.599 238 G HA3 0.454 4.414 3.960 0.001 0.000 0.599 238 G C -0.404 174.499 174.900 0.004 0.000 1.292 238 G CA -0.069 45.033 45.100 0.002 0.000 0.922 238 G HN 1.673 nan 8.290 nan 0.000 0.514 239 A N -0.538 122.284 122.820 0.003 0.000 2.354 239 A HA 0.913 5.233 4.320 0.001 0.000 0.321 239 A C -0.235 177.356 177.584 0.010 0.000 1.125 239 A CA -0.245 51.795 52.037 0.006 0.000 0.799 239 A CB 1.598 20.599 19.000 0.002 0.000 1.293 239 A HN 0.816 nan 8.150 nan 0.000 0.452 240 E N 1.035 121.242 120.200 0.012 0.000 2.224 240 E HA 0.382 4.732 4.350 0.001 0.000 0.265 240 E C -2.723 173.887 176.600 0.017 0.000 0.878 240 E CA -1.928 54.481 56.400 0.015 0.000 0.759 240 E CB 2.045 31.754 29.700 0.015 0.000 1.164 240 E HN 0.340 nan 8.360 nan 0.000 0.414 241 P HA -0.096 nan 4.420 nan 0.000 0.263 241 P C -0.881 176.432 177.300 0.022 0.000 1.175 241 P CA 0.280 63.395 63.100 0.024 0.000 0.761 241 P CB 0.501 32.220 31.700 0.031 0.000 0.794 242 A N 3.028 125.861 122.820 0.022 0.000 3.056 242 A HA 0.156 4.476 4.320 0.001 0.000 0.274 242 A C 0.430 178.026 177.584 0.020 0.000 1.661 242 A CA -0.126 51.923 52.037 0.019 0.000 1.363 242 A CB -0.921 18.090 19.000 0.019 0.000 1.139 242 A HN 0.523 nan 8.150 nan 0.000 0.598 243 D N -0.165 120.246 120.400 0.019 0.000 2.402 243 D HA 0.079 4.719 4.640 0.001 0.000 0.216 243 D C 0.987 177.294 176.300 0.012 0.000 1.128 243 D CA -0.043 53.968 54.000 0.018 0.000 0.833 243 D CB 0.008 40.820 40.800 0.019 0.000 0.971 243 D HN 0.355 nan 8.370 nan 0.000 0.503 244 Q N 0.668 120.475 119.800 0.012 0.000 2.077 244 Q HA -0.068 4.273 4.340 0.001 0.000 0.206 244 Q C 2.118 178.122 176.000 0.007 0.000 0.989 244 Q CA 1.182 56.990 55.803 0.009 0.000 0.853 244 Q CB -0.422 28.321 28.738 0.009 0.000 0.907 244 Q HN 0.342 nan 8.270 nan 0.000 0.418 245 L N -0.282 120.946 121.223 0.008 0.000 2.043 245 L HA -0.268 4.072 4.340 0.001 0.000 0.212 245 L C 2.301 179.173 176.870 0.003 0.000 1.075 245 L CA 1.271 56.115 54.840 0.007 0.000 0.752 245 L CB -0.666 41.398 42.059 0.010 0.000 0.891 245 L HN 0.310 nan 8.230 nan 0.000 0.432 246 A N -0.240 122.582 122.820 0.003 0.000 1.873 246 A HA -0.185 4.135 4.320 0.001 0.000 0.215 246 A C 2.352 179.932 177.584 -0.006 0.000 1.186 246 A CA 1.307 53.342 52.037 -0.003 0.000 0.616 246 A CB -0.450 18.550 19.000 0.000 0.000 0.823 246 A HN 0.296 nan 8.150 nan 0.000 0.442 247 R N -0.500 119.998 120.500 -0.002 0.000 2.083 247 R HA -0.186 4.154 4.340 0.001 0.000 0.237 247 R C 2.433 178.731 176.300 -0.004 0.000 1.137 247 R CA 1.894 57.993 56.100 -0.003 0.000 0.951 247 R CB -0.420 29.880 30.300 0.001 0.000 0.851 247 R HN 0.681 nan 8.270 nan 0.000 0.434 248 Q N -0.330 119.468 119.800 -0.002 0.000 2.226 248 Q HA -0.059 4.281 4.340 0.001 0.000 0.204 248 Q C 1.734 177.731 176.000 -0.005 0.000 0.975 248 Q CA 1.241 57.043 55.803 -0.002 0.000 0.866 248 Q CB 0.063 28.801 28.738 0.000 0.000 0.915 248 Q HN 0.342 nan 8.270 nan 0.000 0.440 249 A N -0.037 122.779 122.820 -0.007 0.000 2.238 249 A HA 0.282 4.603 4.320 0.001 0.000 0.208 249 A C 1.483 179.058 177.584 -0.016 0.000 1.177 249 A CA 0.720 52.750 52.037 -0.011 0.000 0.804 249 A CB -0.295 18.697 19.000 -0.014 0.000 0.823 249 A HN 0.443 nan 8.150 nan 0.000 0.482 250 G N -1.209 107.583 108.800 -0.014 0.000 2.143 250 G HA2 -0.221 3.739 3.960 0.001 0.000 0.249 250 G HA3 -0.221 3.739 3.960 0.001 0.000 0.249 250 G C 0.100 174.987 174.900 -0.023 0.000 0.981 250 G CA 0.304 45.394 45.100 -0.017 0.000 0.665 250 G HN 0.440 nan 8.290 nan 0.000 0.528 251 L N 0.858 122.066 121.223 -0.025 0.000 2.397 251 L HA 0.567 4.908 4.340 0.001 0.000 0.271 251 L C 1.373 178.227 176.870 -0.027 0.000 1.148 251 L CA -0.178 54.642 54.840 -0.033 0.000 0.825 251 L CB 1.035 43.071 42.059 -0.037 0.000 1.117 251 L HN 0.358 nan 8.230 nan 0.000 0.456 252 A N 3.085 125.886 122.820 -0.032 0.000 2.522 252 A HA 0.290 4.611 4.320 0.001 0.000 0.256 252 A C -0.320 177.253 177.584 -0.018 0.000 1.086 252 A CA -0.099 51.924 52.037 -0.025 0.000 0.763 252 A CB -0.412 18.570 19.000 -0.030 0.000 1.024 252 A HN 0.764 nan 8.150 nan 0.000 0.502 253 C N 1.961 121.255 119.300 -0.009 0.000 2.712 253 C HA 0.797 5.258 4.460 0.001 0.000 0.308 253 C C -0.509 174.483 174.990 0.003 0.000 1.201 253 C CA -0.458 58.559 59.018 -0.001 0.000 1.554 253 C CB 1.830 29.572 27.740 0.003 0.000 2.117 253 C HN 0.929 nan 8.230 nan 0.000 0.480 254 D N 0.974 121.379 120.400 0.009 0.000 2.318 254 D HA 0.262 4.902 4.640 0.001 0.000 0.233 254 D C -0.199 176.113 176.300 0.020 0.000 1.348 254 D CA -0.399 53.608 54.000 0.012 0.000 0.983 254 D CB 0.304 41.110 40.800 0.010 0.000 1.416 254 D HN 0.603 nan 8.370 nan 0.000 0.558 255 R N 1.977 122.489 120.500 0.020 0.000 3.251 255 R HA 0.030 4.370 4.340 0.001 0.000 0.249 255 R C 0.475 176.795 176.300 0.033 0.000 0.949 255 R CA 1.099 57.214 56.100 0.025 0.000 0.645 255 R CB -1.688 28.628 30.300 0.026 0.000 1.065 255 R HN 0.847 nan 8.270 nan 0.000 0.452 256 G N -2.021 106.798 108.800 0.031 0.000 2.362 256 G HA2 0.059 4.019 3.960 0.001 0.000 0.656 256 G HA3 0.059 4.019 3.960 0.001 0.000 0.656 256 G C -0.689 174.231 174.900 0.033 0.000 1.376 256 G CA -0.746 44.378 45.100 0.041 0.000 0.971 256 G HN 0.231 nan 8.290 nan 0.000 0.636 257 V N 1.309 121.245 119.914 0.037 0.000 2.479 257 V HA 0.238 4.359 4.120 0.001 0.000 0.281 257 V C 1.255 177.354 176.094 0.009 0.000 1.031 257 V CA 0.063 62.374 62.300 0.019 0.000 1.038 257 V CB 0.819 32.656 31.823 0.024 0.000 0.981 257 V HN 0.548 nan 8.190 nan 0.000 0.478 258 I N 6.707 127.267 120.570 -0.015 0.000 2.436 258 I HA 0.248 4.418 4.170 0.001 0.000 0.289 258 I C 0.154 176.223 176.117 -0.080 0.000 1.083 258 I CA 0.335 61.615 61.300 -0.034 0.000 1.372 258 I CB 0.647 38.627 38.000 -0.033 0.000 1.408 258 I HN 0.579 nan 8.210 nan 0.000 0.516 259 V N 2.679 122.519 119.914 -0.124 0.000 3.074 259 V HA 0.650 4.770 4.120 0.001 0.000 0.314 259 V C -0.506 175.391 176.094 -0.327 0.000 1.117 259 V CA -0.931 61.227 62.300 -0.237 0.000 1.014 259 V CB 1.918 33.561 31.823 -0.301 0.000 1.057 259 V HN 0.675 nan 8.190 nan 0.000 0.438 260 D N 0.526 120.699 120.400 -0.379 0.000 2.469 260 D HA 0.158 4.799 4.640 0.001 0.000 0.278 260 D C 1.139 177.087 176.300 -0.585 0.000 1.231 260 D CA 0.594 54.389 54.000 -0.342 0.000 1.075 260 D CB -0.210 40.459 40.800 -0.219 0.000 1.121 260 D HN 0.939 nan 8.370 nan 0.000 0.571 261 H N -2.392 116.485 119.070 -0.323 0.000 2.518 261 H HA -0.018 4.538 4.556 0.001 0.000 0.292 261 H C 1.212 176.438 175.328 -0.171 0.000 1.068 261 H CA 1.189 57.105 56.048 -0.220 0.000 1.275 261 H CB -0.679 29.055 29.762 -0.046 0.000 1.375 261 H HN 0.452 nan 8.280 nan 0.000 0.563 262 C N -1.560 117.349 119.300 -0.651 0.000 2.976 262 C HA 0.790 5.250 4.460 0.001 0.000 0.274 262 C C 1.752 176.555 174.990 -0.312 0.000 1.487 262 C CA -0.236 58.620 59.018 -0.270 0.000 1.789 262 C CB -0.267 27.379 27.740 -0.157 0.000 2.771 262 C HN 0.889 nan 8.230 nan 0.000 0.551 263 G N 0.939 109.166 108.800 -0.955 0.000 2.159 263 G HA2 0.113 4.073 3.960 0.001 0.000 0.256 263 G HA3 0.113 4.073 3.960 0.001 0.000 0.256 263 G C 0.259 175.115 174.900 -0.073 0.000 0.977 263 G CA 0.293 45.050 45.100 -0.572 0.000 0.652 263 G HN 1.682 nan 8.290 nan 0.000 0.531 264 A N 0.508 123.227 122.820 -0.168 0.000 2.363 264 A HA 0.765 5.086 4.320 0.001 0.000 0.270 264 A C 0.994 178.383 177.584 -0.326 0.000 1.121 264 A CA 1.058 52.899 52.037 -0.328 0.000 0.800 264 A CB 0.391 19.203 19.000 -0.312 0.000 1.052 264 A HN 1.685 nan 8.150 nan 0.000 0.493 265 T N 0.003 114.340 114.554 -0.361 0.000 2.814 265 T HA 0.437 4.787 4.350 0.001 0.000 0.284 265 T C 0.977 175.538 174.700 -0.232 0.000 0.998 265 T CA -0.522 61.433 62.100 -0.242 0.000 0.935 265 T CB 0.231 68.982 68.868 -0.195 0.000 1.167 265 T HN 0.370 nan 8.240 nan 0.000 0.545 266 L N 0.161 121.287 121.223 -0.162 0.000 2.552 266 L HA 0.276 4.617 4.340 0.001 0.000 0.227 266 L C 1.510 178.299 176.870 -0.135 0.000 1.146 266 L CA -0.039 54.721 54.840 -0.132 0.000 0.858 266 L CB -0.687 41.317 42.059 -0.091 0.000 0.969 266 L HN 0.759 nan 8.230 nan 0.000 0.451 267 A N 1.032 123.756 122.820 -0.160 0.000 2.309 267 A HA 0.198 4.518 4.320 0.001 0.000 0.290 267 A C 0.250 177.715 177.584 -0.198 0.000 1.206 267 A CA -0.366 51.583 52.037 -0.147 0.000 0.850 267 A CB 0.219 19.146 19.000 -0.121 0.000 1.118 267 A HN 0.144 nan 8.150 nan 0.000 0.523 268 K N 2.058 122.370 120.400 -0.147 0.000 2.491 268 K HA 0.225 4.545 4.320 0.001 0.000 0.279 268 K C 1.235 177.741 176.600 -0.157 0.000 1.026 268 K CA 1.393 57.592 56.287 -0.146 0.000 1.070 268 K CB -0.093 32.362 32.500 -0.076 0.000 0.887 268 K HN 1.628 nan 8.250 nan 0.000 0.481 269 G N 2.056 110.731 108.800 -0.209 0.000 2.159 269 G HA2 -0.232 3.729 3.960 0.001 0.000 0.256 269 G HA3 -0.232 3.729 3.960 0.001 0.000 0.256 269 G C -0.266 174.550 174.900 -0.139 0.000 0.977 269 G CA 0.178 45.237 45.100 -0.068 0.000 0.652 269 G HN 0.505 nan 8.290 nan 0.000 0.531 270 V N 0.736 120.393 119.914 -0.428 0.000 2.384 270 V HA 0.813 4.933 4.120 0.001 0.000 0.287 270 V C -0.152 175.602 176.094 -0.567 0.000 1.020 270 V CA -0.653 61.468 62.300 -0.299 0.000 0.850 270 V CB 1.154 32.873 31.823 -0.173 0.000 0.987 270 V HN 0.235 nan 8.190 nan 0.000 0.436 271 F N 2.001 121.920 119.950 -0.051 0.000 2.631 271 F HA 0.909 5.437 4.527 0.001 0.000 0.328 271 F C 0.303 176.096 175.800 -0.011 0.000 1.067 271 F CA -0.816 57.155 58.000 -0.047 0.000 0.969 271 F CB 2.085 41.063 39.000 -0.038 0.000 1.332 271 F HN 0.553 nan 8.300 nan 0.000 0.490 272 A N 0.736 123.690 122.820 0.224 0.000 2.475 272 A HA 0.889 5.209 4.320 0.001 0.000 0.301 272 A C -1.818 175.949 177.584 0.304 0.000 1.059 272 A CA -0.707 51.446 52.037 0.192 0.000 0.710 272 A CB 1.663 20.738 19.000 0.125 0.000 1.288 272 A HN 0.524 nan 8.150 nan 0.000 0.408 273 V N 1.036 121.086 119.914 0.226 0.000 2.841 273 V HA 0.826 4.947 4.120 0.001 0.000 0.310 273 V C 0.812 176.960 176.094 0.089 0.000 1.090 273 V CA 0.606 63.020 62.300 0.191 0.000 0.930 273 V CB 1.258 33.139 31.823 0.097 0.000 1.014 273 V HN 2.518 nan 8.190 nan 0.000 0.425 274 G N 3.539 112.345 108.800 0.011 0.000 2.542 274 G HA2 -0.204 3.757 3.960 0.001 0.000 0.235 274 G HA3 -0.204 3.757 3.960 0.001 0.000 0.235 274 G C 0.279 175.188 174.900 0.015 0.000 1.286 274 G CA 0.466 45.549 45.100 -0.029 0.000 0.904 274 G HN 0.657 nan 8.290 nan 0.000 0.577 275 D N -0.632 119.771 120.400 0.005 0.000 2.190 275 D HA -0.064 4.576 4.640 0.001 0.000 0.200 275 D C 2.471 178.796 176.300 0.042 0.000 0.992 275 D CA 1.516 55.526 54.000 0.017 0.000 0.854 275 D CB -0.245 40.558 40.800 0.005 0.000 0.936 275 D HN 0.512 nan 8.370 nan 0.000 0.462 276 V N -0.030 119.914 119.914 0.049 0.000 2.913 276 V HA 0.023 4.143 4.120 0.001 0.000 0.260 276 V C 0.686 176.829 176.094 0.082 0.000 1.098 276 V CA 0.903 63.237 62.300 0.057 0.000 1.121 276 V CB -0.427 31.427 31.823 0.051 0.000 0.714 276 V HN 0.163 nan 8.190 nan 0.000 0.487 277 A N -0.058 122.837 122.820 0.125 0.000 2.301 277 A HA 0.561 4.881 4.320 0.001 0.000 0.298 277 A C 0.344 178.038 177.584 0.184 0.000 1.185 277 A CA 0.171 52.318 52.037 0.183 0.000 0.830 277 A CB 0.788 19.999 19.000 0.353 0.000 1.112 277 A HN 0.322 nan 8.150 nan 0.000 0.508 278 S N 3.914 119.695 115.700 0.135 0.000 2.411 278 S HA 0.324 4.795 4.470 0.001 0.000 0.304 278 S C -0.688 174.010 174.600 0.163 0.000 1.098 278 S CA -0.344 57.933 58.200 0.128 0.000 1.068 278 S CB -0.238 63.003 63.200 0.068 0.000 1.032 278 S HN 0.634 nan 8.310 nan 0.000 0.511 279 W N 6.553 127.866 121.300 0.022 0.000 2.573 279 W HA 0.428 5.089 4.660 0.001 0.000 0.326 279 W C -3.098 173.442 176.519 0.035 0.000 1.049 279 W CA -2.777 54.584 57.345 0.028 0.000 1.220 279 W CB 1.386 30.862 29.460 0.027 0.000 1.373 279 W HN 0.381 nan 8.180 nan 0.000 0.507 280 P HA 0.005 nan 4.420 nan 0.000 0.264 280 P C -0.395 177.095 177.300 0.316 0.000 1.193 280 P CA 0.722 63.928 63.100 0.177 0.000 0.763 280 P CB 0.516 32.256 31.700 0.067 0.000 0.810 281 L N 3.366 124.706 121.223 0.195 0.000 2.379 281 L HA 0.379 4.719 4.340 0.001 0.000 0.269 281 L C 2.032 178.978 176.870 0.126 0.000 1.084 281 L CA -0.628 54.308 54.840 0.160 0.000 0.802 281 L CB 0.597 42.723 42.059 0.112 0.000 1.175 281 L HN 0.241 nan 8.230 nan 0.000 0.448 282 R N 1.894 122.458 120.500 0.108 0.000 2.096 282 R HA -0.147 4.194 4.340 0.001 0.000 0.240 282 R C 1.767 178.104 176.300 0.061 0.000 1.139 282 R CA 1.869 58.018 56.100 0.081 0.000 0.952 282 R CB -0.447 29.892 30.300 0.066 0.000 0.854 282 R HN 0.831 nan 8.270 nan 0.000 0.436 283 A N -0.656 122.199 122.820 0.058 0.000 2.235 283 A HA 0.353 4.673 4.320 0.001 0.000 0.208 283 A C 0.611 178.221 177.584 0.043 0.000 1.172 283 A CA 0.720 52.784 52.037 0.045 0.000 0.786 283 A CB -0.682 18.343 19.000 0.043 0.000 0.804 283 A HN 0.523 nan 8.150 nan 0.000 0.479 284 G N -2.692 106.139 108.800 0.052 0.000 2.699 284 G HA2 0.481 4.441 3.960 0.001 0.000 0.686 284 G HA3 0.481 4.441 3.960 0.001 0.000 0.686 284 G C 0.672 175.603 174.900 0.052 0.000 1.301 284 G CA -0.201 44.927 45.100 0.046 0.000 0.816 284 G HN 2.455 nan 8.290 nan 0.000 0.595 285 G N -0.346 108.482 108.800 0.047 0.000 2.828 285 G HA2 0.439 4.400 3.960 0.001 0.000 0.463 285 G HA3 0.439 4.400 3.960 0.001 0.000 0.463 285 G C -0.116 174.824 174.900 0.067 0.000 1.394 285 G CA 0.865 45.994 45.100 0.048 0.000 0.862 285 G HN 2.555 nan 8.290 nan 0.000 0.540 286 R N -0.947 119.592 120.500 0.066 0.000 2.774 286 R HA 0.920 5.260 4.340 0.001 0.000 0.272 286 R C -0.032 176.321 176.300 0.088 0.000 1.000 286 R CA -0.759 55.397 56.100 0.092 0.000 0.906 286 R CB 1.817 32.161 30.300 0.073 0.000 1.227 286 R HN 1.487 nan 8.270 nan 0.000 0.468 287 R N -0.502 120.067 120.500 0.114 0.000 2.741 287 R HA 0.320 4.660 4.340 0.001 0.000 0.276 287 R C -1.456 174.911 176.300 0.112 0.000 1.028 287 R CA -0.979 55.176 56.100 0.092 0.000 0.865 287 R CB 1.274 31.616 30.300 0.070 0.000 1.268 287 R HN 0.576 nan 8.270 nan 0.000 0.475 288 S N 0.656 116.406 115.700 0.083 0.000 2.498 288 S HA 0.104 4.575 4.470 0.001 0.000 0.281 288 S C 0.963 175.594 174.600 0.052 0.000 1.265 288 S CA -0.594 57.650 58.200 0.074 0.000 1.071 288 S CB 0.225 63.456 63.200 0.051 0.000 0.894 288 S HN 0.511 nan 8.310 nan 0.000 0.491 289 L N 4.507 125.753 121.223 0.039 0.000 2.141 289 L HA 0.064 4.404 4.340 0.001 0.000 0.209 289 L C 1.476 178.345 176.870 -0.001 0.000 1.094 289 L CA 1.294 56.140 54.840 0.010 0.000 0.763 289 L CB -0.551 41.485 42.059 -0.037 0.000 0.908 289 L HN 0.851 nan 8.230 nan 0.000 0.437 290 E N -0.421 119.775 120.200 -0.007 0.000 2.637 290 E HA -0.213 4.137 4.350 0.001 0.000 0.265 290 E C 0.058 176.636 176.600 -0.036 0.000 1.073 290 E CA 0.591 56.980 56.400 -0.019 0.000 0.778 290 E CB -2.188 27.503 29.700 -0.015 0.000 1.362 290 E HN 0.597 nan 8.360 nan 0.000 0.413 291 T N -4.226 110.312 114.554 -0.026 0.000 2.896 291 T HA 0.418 4.769 4.350 0.001 0.000 0.297 291 T C 0.319 175.044 174.700 0.041 0.000 1.108 291 T CA -0.663 61.430 62.100 -0.012 0.000 1.004 291 T CB 1.616 70.499 68.868 0.025 0.000 1.159 291 T HN 0.127 nan 8.240 nan 0.000 0.499 292 Y N 2.133 122.403 120.300 -0.050 0.000 2.133 292 Y HA -0.010 4.541 4.550 0.001 0.000 0.287 292 Y C 2.468 178.414 175.900 0.075 0.000 1.134 292 Y CA 1.951 60.071 58.100 0.034 0.000 1.133 292 Y CB -0.041 38.498 38.460 0.132 0.000 0.987 292 Y HN 0.683 nan 8.280 nan 0.000 0.502 293 M N 0.242 120.027 119.600 0.309 0.000 2.175 293 M HA -0.213 4.268 4.480 0.001 0.000 0.264 293 M C 1.165 177.461 176.300 -0.007 0.000 1.063 293 M CA 2.084 57.484 55.300 0.167 0.000 1.119 293 M CB -0.470 32.287 32.600 0.262 0.000 1.377 293 M HN 0.414 nan 8.290 nan 0.000 0.415 294 N N 0.675 119.360 118.700 -0.026 0.000 2.188 294 N HA -0.040 4.701 4.740 0.001 0.000 0.184 294 N C 1.794 177.165 175.510 -0.231 0.000 1.018 294 N CA 1.452 54.418 53.050 -0.139 0.000 0.858 294 N CB -0.288 38.119 38.487 -0.134 0.000 0.989 294 N HN 0.409 nan 8.380 nan 0.000 0.426 295 A N 1.081 123.789 122.820 -0.187 0.000 1.940 295 A HA -0.245 4.075 4.320 0.001 0.000 0.219 295 A C 2.067 179.519 177.584 -0.220 0.000 1.176 295 A CA 1.425 53.338 52.037 -0.207 0.000 0.631 295 A CB -0.524 18.376 19.000 -0.168 0.000 0.814 295 A HN 0.325 nan 8.150 nan 0.000 0.446 296 Q N -1.004 118.659 119.800 -0.228 0.000 2.079 296 Q HA -0.125 4.215 4.340 0.001 0.000 0.200 296 Q C 2.340 178.249 176.000 -0.152 0.000 0.974 296 Q CA 1.146 56.839 55.803 -0.183 0.000 0.840 296 Q CB -0.176 28.461 28.738 -0.168 0.000 0.898 296 Q HN 0.483 nan 8.270 nan 0.000 0.430 297 R N 0.853 121.254 120.500 -0.165 0.000 2.092 297 R HA -0.110 4.230 4.340 0.001 0.000 0.231 297 R C 2.077 178.235 176.300 -0.236 0.000 1.119 297 R CA 1.237 57.240 56.100 -0.162 0.000 0.970 297 R CB -0.339 29.870 30.300 -0.151 0.000 0.864 297 R HN 0.467 nan 8.270 nan 0.000 0.440 298 Q N 0.153 119.704 119.800 -0.415 0.000 2.084 298 Q HA -0.058 4.283 4.340 0.001 0.000 0.202 298 Q C 2.197 178.081 176.000 -0.194 0.000 0.978 298 Q CA 1.595 57.028 55.803 -0.618 0.000 0.844 298 Q CB -0.215 27.946 28.738 -0.961 0.000 0.898 298 Q HN 0.341 nan 8.270 nan 0.000 0.426 299 A N 1.261 123.991 122.820 -0.149 0.000 1.908 299 A HA -0.197 4.123 4.320 0.001 0.000 0.218 299 A C 2.316 179.854 177.584 -0.076 0.000 1.181 299 A CA 1.773 53.759 52.037 -0.085 0.000 0.627 299 A CB -0.894 18.053 19.000 -0.088 0.000 0.818 299 A HN 0.416 nan 8.150 nan 0.000 0.445 300 A N -0.340 122.435 122.820 -0.076 0.000 1.933 300 A HA 0.172 4.492 4.320 0.001 0.000 0.218 300 A C 2.492 180.059 177.584 -0.029 0.000 1.175 300 A CA 2.084 54.090 52.037 -0.053 0.000 0.628 300 A CB -0.949 18.025 19.000 -0.043 0.000 0.814 300 A HN 1.055 nan 8.150 nan 0.000 0.444 301 A N -0.631 122.197 122.820 0.014 0.000 1.873 301 A HA 0.018 4.339 4.320 0.001 0.000 0.215 301 A C 2.223 179.829 177.584 0.038 0.000 1.186 301 A CA 1.741 53.836 52.037 0.097 0.000 0.616 301 A CB -0.903 18.268 19.000 0.285 0.000 0.823 301 A HN 0.375 nan 8.150 nan 0.000 0.442 302 V N -0.132 119.794 119.914 0.020 0.000 2.358 302 V HA -0.216 3.904 4.120 0.001 0.000 0.246 302 V C 3.043 178.919 176.094 -0.363 0.000 1.047 302 V CA 1.827 64.000 62.300 -0.212 0.000 1.035 302 V CB -1.146 30.591 31.823 -0.143 0.000 0.658 302 V HN 0.611 nan 8.190 nan 0.000 0.452 303 A N 0.038 122.723 122.820 -0.225 0.000 1.902 303 A HA -0.125 4.196 4.320 0.001 0.000 0.217 303 A C 2.433 179.896 177.584 -0.202 0.000 1.181 303 A CA 2.085 53.983 52.037 -0.233 0.000 0.623 303 A CB -0.764 18.145 19.000 -0.151 0.000 0.818 303 A HN 0.561 nan 8.150 nan 0.000 0.443 304 A N -0.107 122.635 122.820 -0.129 0.000 1.877 304 A HA 0.146 4.466 4.320 0.001 0.000 0.216 304 A C 2.522 180.049 177.584 -0.096 0.000 1.186 304 A CA 2.170 54.160 52.037 -0.078 0.000 0.620 304 A CB -1.064 17.920 19.000 -0.027 0.000 0.822 304 A HN 1.078 nan 8.150 nan 0.000 0.443 305 A N -0.123 122.612 122.820 -0.141 0.000 1.902 305 A HA -0.100 4.220 4.320 0.001 0.000 0.217 305 A C 2.118 179.596 177.584 -0.176 0.000 1.181 305 A CA 1.548 53.509 52.037 -0.128 0.000 0.623 305 A CB -0.632 18.295 19.000 -0.121 0.000 0.818 305 A HN 0.499 nan 8.150 nan 0.000 0.443 306 I N -0.338 119.999 120.570 -0.389 0.000 2.264 306 I HA -0.234 3.936 4.170 0.001 0.000 0.248 306 I C 1.677 177.697 176.117 -0.163 0.000 1.111 306 I CA 1.072 62.182 61.300 -0.317 0.000 1.382 306 I CB -0.201 37.517 38.000 -0.470 0.000 1.060 306 I HN 0.251 nan 8.210 nan 0.000 0.418 307 L N 0.590 121.729 121.223 -0.141 0.000 2.650 307 L HA 0.101 4.442 4.340 0.001 0.000 0.235 307 L C 1.500 178.370 176.870 0.000 0.000 1.149 307 L CA 0.527 55.341 54.840 -0.044 0.000 0.887 307 L CB -0.640 41.406 42.059 -0.022 0.000 1.021 307 L HN 0.519 nan 8.230 nan 0.000 0.441 308 G N 0.110 108.908 108.800 -0.002 0.000 2.159 308 G HA2 -0.308 3.653 3.960 0.001 0.000 0.256 308 G HA3 -0.308 3.653 3.960 0.001 0.000 0.256 308 G C 0.382 175.297 174.900 0.026 0.000 0.977 308 G CA -0.006 45.108 45.100 0.025 0.000 0.652 308 G HN 0.362 nan 8.290 nan 0.000 0.531 309 K N 0.552 120.960 120.400 0.015 0.000 2.270 309 K HA 0.229 4.549 4.320 0.001 0.000 0.276 309 K C 0.081 176.704 176.600 0.038 0.000 1.023 309 K CA -0.667 55.633 56.287 0.023 0.000 0.955 309 K CB 0.147 32.656 32.500 0.015 0.000 0.975 309 K HN 0.159 nan 8.250 nan 0.000 0.471 310 N N 2.357 121.086 118.700 0.049 0.000 2.442 310 N HA 0.089 4.829 4.740 0.001 0.000 0.265 310 N C -1.075 174.487 175.510 0.087 0.000 1.138 310 N CA 0.022 53.115 53.050 0.072 0.000 0.956 310 N CB 1.150 39.675 38.487 0.063 0.000 1.067 310 N HN 0.158 nan 8.380 nan 0.000 0.474 311 V N 1.326 121.315 119.914 0.125 0.000 2.483 311 V HA 0.250 4.371 4.120 0.001 0.000 0.297 311 V C 0.011 176.270 176.094 0.276 0.000 1.027 311 V CA -0.795 61.591 62.300 0.144 0.000 0.855 311 V CB 1.712 33.593 31.823 0.097 0.000 0.995 311 V HN 0.610 nan 8.190 nan 0.000 0.424 312 S N 4.071 119.912 115.700 0.236 0.000 2.601 312 S HA 0.721 5.191 4.470 0.001 0.000 0.312 312 S C 0.070 174.811 174.600 0.236 0.000 1.107 312 S CA 0.149 58.516 58.200 0.278 0.000 1.129 312 S CB 0.910 64.168 63.200 0.098 0.000 0.982 312 S HN 1.138 nan 8.310 nan 0.000 0.469 313 A N 6.444 129.461 122.820 0.327 0.000 3.214 313 A HA 0.523 4.843 4.320 0.001 0.000 0.304 313 A C -2.699 175.172 177.584 0.478 0.000 0.969 313 A CA -1.352 50.890 52.037 0.342 0.000 0.986 313 A CB 0.236 19.451 19.000 0.358 0.000 1.073 313 A HN 0.652 nan 8.150 nan 0.000 0.487 314 P HA 0.100 nan 4.420 nan 0.000 0.268 314 P C -0.747 176.699 177.300 0.243 0.000 1.205 314 P CA 0.372 63.678 63.100 0.344 0.000 0.771 314 P CB 0.743 32.561 31.700 0.196 0.000 0.858 315 Q N 1.604 121.538 119.800 0.223 0.000 2.257 315 Q HA 0.344 4.685 4.340 0.001 0.000 0.255 315 Q C -0.372 175.663 176.000 0.058 0.000 0.920 315 Q CA -0.828 55.004 55.803 0.048 0.000 0.927 315 Q CB 1.434 30.103 28.738 -0.115 0.000 1.229 315 Q HN 0.405 nan 8.270 nan 0.000 0.433 316 L N 5.432 126.676 121.223 0.035 0.000 2.260 316 L HA 0.392 4.732 4.340 0.001 0.000 0.289 316 L C -2.403 174.492 176.870 0.042 0.000 1.057 316 L CA -1.571 53.295 54.840 0.044 0.000 0.811 316 L CB 0.944 43.027 42.059 0.040 0.000 1.184 316 L HN 0.302 nan 8.230 nan 0.000 0.429 317 P HA 0.115 nan 4.420 nan 0.000 0.263 317 P C -1.271 176.090 177.300 0.102 0.000 1.195 317 P CA 0.130 63.266 63.100 0.061 0.000 0.762 317 P CB 0.750 32.487 31.700 0.061 0.000 0.799 318 V N 3.187 123.176 119.914 0.123 0.000 2.623 318 V HA 0.582 4.702 4.120 0.001 0.000 0.304 318 V C -0.030 176.198 176.094 0.223 0.000 1.054 318 V CA -0.179 62.250 62.300 0.215 0.000 0.882 318 V CB 1.927 33.893 31.823 0.238 0.000 1.002 318 V HN 0.560 nan 8.190 nan 0.000 0.424 319 S N 3.500 119.336 115.700 0.227 0.000 2.776 319 S HA 0.916 5.387 4.470 0.001 0.000 0.292 319 S C -2.095 172.651 174.600 0.243 0.000 1.187 319 S CA -0.443 57.859 58.200 0.171 0.000 0.834 319 S CB 1.923 65.128 63.200 0.008 0.000 1.199 319 S HN 0.992 nan 8.310 nan 0.000 0.514 320 W N 0.040 121.294 121.300 -0.076 0.000 3.074 320 W HA 0.747 5.408 4.660 0.000 0.000 0.332 320 W C -1.197 175.274 176.519 -0.080 0.000 1.253 320 W CA -0.590 56.677 57.345 -0.130 0.000 1.180 320 W CB 0.854 30.220 29.460 -0.158 0.000 1.445 320 W HN 0.692 nan 8.180 nan 0.000 0.573 321 T N 0.771 115.350 114.554 0.042 0.000 2.889 321 T HA 0.418 4.769 4.350 0.001 0.000 0.315 321 T C -1.851 172.907 174.700 0.097 0.000 1.291 321 T CA -0.575 61.499 62.100 -0.044 0.000 1.028 321 T CB 1.731 70.557 68.868 -0.071 0.000 1.235 321 T HN 0.582 nan 8.240 nan 0.000 0.491 322 E N 3.078 123.317 120.200 0.064 0.000 2.267 322 E HA 0.509 4.860 4.350 0.001 0.000 0.248 322 E C -0.947 175.673 176.600 0.034 0.000 0.899 322 E CA -0.396 56.051 56.400 0.077 0.000 0.764 322 E CB 1.492 31.248 29.700 0.093 0.000 1.227 322 E HN 0.468 nan 8.360 nan 0.000 0.421 323 I N 1.420 122.011 120.570 0.035 0.000 2.498 323 I HA 0.377 4.547 4.170 0.001 0.000 0.290 323 I C 0.426 176.541 176.117 -0.003 0.000 1.032 323 I CA -0.712 60.588 61.300 -0.000 0.000 1.073 323 I CB 1.993 39.980 38.000 -0.022 0.000 1.251 323 I HN 0.665 nan 8.210 nan 0.000 0.426 324 A N 4.497 127.299 122.820 -0.029 0.000 2.783 324 A HA -0.089 4.231 4.320 0.001 0.000 0.292 324 A C 1.377 178.957 177.584 -0.007 0.000 1.495 324 A CA 1.097 53.111 52.037 -0.038 0.000 0.787 324 A CB -1.961 16.976 19.000 -0.105 0.000 1.017 324 A HN 2.028 nan 8.150 nan 0.000 0.516 325 G N -2.612 106.157 108.800 -0.051 0.000 2.159 325 G HA2 -0.258 3.702 3.960 0.001 0.000 0.256 325 G HA3 -0.258 3.702 3.960 0.001 0.000 0.256 325 G C -0.046 174.661 174.900 -0.321 0.000 0.977 325 G CA 0.786 45.789 45.100 -0.163 0.000 0.652 325 G HN 1.595 nan 8.290 nan 0.000 0.531 326 H N -0.677 118.394 119.070 0.001 0.000 2.621 326 H HA 0.578 5.135 4.556 0.001 0.000 0.360 326 H C 0.083 175.449 175.328 0.063 0.000 1.163 326 H CA -0.708 55.377 56.048 0.063 0.000 1.194 326 H CB 1.687 31.528 29.762 0.130 0.000 1.649 326 H HN 0.240 nan 8.280 nan 0.000 0.532 327 R N 2.269 122.875 120.500 0.176 0.000 2.265 327 R HA 0.338 4.678 4.340 0.001 0.000 0.328 327 R C -1.102 175.261 176.300 0.104 0.000 0.969 327 R CA -0.793 55.377 56.100 0.116 0.000 0.832 327 R CB 0.529 30.860 30.300 0.052 0.000 1.139 327 R HN 0.373 nan 8.270 nan 0.000 0.457 328 M N 2.699 122.352 119.600 0.088 0.000 2.404 328 M HA 0.354 4.835 4.480 0.001 0.000 0.338 328 M C -0.794 175.468 176.300 -0.063 0.000 1.150 328 M CA -0.079 55.236 55.300 0.026 0.000 1.016 328 M CB 2.215 34.849 32.600 0.058 0.000 1.672 328 M HN 0.462 nan 8.290 nan 0.000 0.448 329 Q N 2.297 121.941 119.800 -0.261 0.000 2.375 329 Q HA 0.813 5.153 4.340 0.001 0.000 0.271 329 Q C -1.548 174.153 176.000 -0.497 0.000 1.074 329 Q CA -0.763 54.670 55.803 -0.617 0.000 0.808 329 Q CB 2.571 30.410 28.738 -1.500 0.000 1.327 329 Q HN 0.558 nan 8.270 nan 0.000 0.441 330 M N 1.445 120.915 119.600 -0.216 0.000 2.213 330 M HA 0.635 5.116 4.480 0.001 0.000 0.286 330 M C -1.312 175.187 176.300 0.332 0.000 1.008 330 M CA -0.266 55.105 55.300 0.119 0.000 0.937 330 M CB 2.322 34.960 32.600 0.063 0.000 1.600 330 M HN 0.584 nan 8.290 nan 0.000 0.450 331 A N 2.335 125.389 122.820 0.390 0.000 2.343 331 A HA 0.971 5.291 4.320 0.001 0.000 0.308 331 A C 0.354 178.024 177.584 0.144 0.000 1.092 331 A CA -0.109 52.085 52.037 0.261 0.000 0.751 331 A CB 0.648 19.738 19.000 0.151 0.000 1.203 331 A HN 1.469 nan 8.150 nan 0.000 0.452 332 G N 1.595 110.460 108.800 0.110 0.000 2.855 332 G HA2 -0.059 3.901 3.960 0.001 0.000 0.352 332 G HA3 -0.059 3.901 3.960 0.001 0.000 0.352 332 G C -0.884 174.069 174.900 0.088 0.000 1.415 332 G CA -0.191 44.960 45.100 0.085 0.000 0.871 332 G HN 0.829 nan 8.290 nan 0.000 0.543 333 D N -0.040 120.407 120.400 0.078 0.000 2.317 333 D HA 0.372 5.012 4.640 0.001 0.000 0.234 333 D C 1.377 177.740 176.300 0.104 0.000 1.112 333 D CA -0.540 53.509 54.000 0.083 0.000 0.840 333 D CB 1.574 42.417 40.800 0.072 0.000 1.078 333 D HN 0.332 nan 8.370 nan 0.000 0.486 334 I N 1.819 122.462 120.570 0.122 0.000 2.614 334 I HA -0.128 4.042 4.170 0.001 0.000 0.258 334 I C 0.950 177.229 176.117 0.269 0.000 1.189 334 I CA 0.883 62.297 61.300 0.191 0.000 1.462 334 I CB 0.058 38.154 38.000 0.161 0.000 1.092 334 I HN 0.356 nan 8.210 nan 0.000 0.442 335 E N 0.076 120.379 120.200 0.171 0.000 2.289 335 E HA 0.476 4.826 4.350 0.001 0.000 0.278 335 E C -0.008 176.689 176.600 0.162 0.000 1.032 335 E CA 0.277 56.777 56.400 0.167 0.000 0.854 335 E CB 0.259 30.014 29.700 0.092 0.000 1.046 335 E HN 0.336 nan 8.360 nan 0.000 0.409 336 G N 3.960 112.880 108.800 0.199 0.000 2.341 336 G HA2 0.080 4.040 3.960 0.001 0.000 0.293 336 G HA3 0.080 4.040 3.960 0.001 0.000 0.293 336 G C -2.915 172.057 174.900 0.121 0.000 1.298 336 G CA -0.914 44.260 45.100 0.123 0.000 0.868 336 G HN 0.512 nan 8.290 nan 0.000 0.540 337 P HA 0.627 nan 4.420 nan 0.000 0.277 337 P C 0.601 177.850 177.300 -0.086 0.000 1.240 337 P CA 1.026 64.137 63.100 0.018 0.000 0.798 337 P CB 1.496 33.202 31.700 0.009 0.000 0.979 338 G N 1.075 109.812 108.800 -0.105 0.000 2.316 338 G HA2 -0.019 3.941 3.960 0.001 0.000 0.349 338 G HA3 -0.019 3.941 3.960 0.001 0.000 0.349 338 G C -1.779 172.956 174.900 -0.276 0.000 1.274 338 G CA -0.734 44.247 45.100 -0.198 0.000 1.018 338 G HN 0.500 nan 8.290 nan 0.000 0.486 339 D N -0.056 120.168 120.400 -0.294 0.000 2.225 339 D HA 0.617 5.258 4.640 0.001 0.000 0.249 339 D C -0.607 175.446 176.300 -0.412 0.000 1.052 339 D CA 0.284 54.161 54.000 -0.205 0.000 0.909 339 D CB 1.152 41.896 40.800 -0.094 0.000 1.186 339 D HN 0.199 nan 8.370 nan 0.000 0.431 340 F N 0.731 120.700 119.950 0.032 0.000 2.347 340 F HA 0.257 4.784 4.527 0.001 0.000 0.366 340 F C 0.157 175.989 175.800 0.053 0.000 1.107 340 F CA -0.897 57.131 58.000 0.047 0.000 1.058 340 F CB 1.301 40.321 39.000 0.033 0.000 1.236 340 F HN -0.122 nan 8.300 nan 0.000 0.456 341 V N 2.826 122.860 119.914 0.199 0.000 2.370 341 V HA 0.313 4.434 4.120 0.001 0.000 0.279 341 V C 0.055 176.288 176.094 0.232 0.000 1.029 341 V CA -0.498 61.899 62.300 0.162 0.000 0.870 341 V CB 1.336 33.200 31.823 0.070 0.000 0.984 341 V HN 0.715 nan 8.190 nan 0.000 0.451 342 S N 5.135 120.925 115.700 0.151 0.000 2.499 342 S HA 0.521 4.991 4.470 0.001 0.000 0.279 342 S C 0.016 174.691 174.600 0.124 0.000 1.219 342 S CA -0.533 57.736 58.200 0.116 0.000 1.062 342 S CB 0.653 63.881 63.200 0.047 0.000 0.978 342 S HN 0.717 nan 8.310 nan 0.000 0.489 343 R N 2.386 122.973 120.500 0.146 0.000 2.388 343 R HA 0.542 4.882 4.340 0.001 0.000 0.314 343 R C 0.380 176.721 176.300 0.069 0.000 0.959 343 R CA 0.221 56.410 56.100 0.148 0.000 0.851 343 R CB 0.242 30.720 30.300 0.296 0.000 1.168 343 R HN 0.930 nan 8.270 nan 0.000 0.472 344 G N 3.162 111.984 108.800 0.037 0.000 2.782 344 G HA2 -0.255 3.706 3.960 0.001 0.000 0.228 344 G HA3 -0.255 3.706 3.960 0.001 0.000 0.228 344 G C -0.686 174.176 174.900 -0.063 0.000 1.372 344 G CA -0.393 44.703 45.100 -0.007 0.000 0.862 344 G HN 0.550 nan 8.290 nan 0.000 0.547 345 M N 1.281 120.819 119.600 -0.104 0.000 2.190 345 M HA 0.339 4.820 4.480 0.001 0.000 0.312 345 M C -2.445 173.666 176.300 -0.315 0.000 0.990 345 M CA -1.592 53.594 55.300 -0.189 0.000 0.927 345 M CB 2.375 34.892 32.600 -0.139 0.000 1.571 345 M HN 0.261 nan 8.290 nan 0.000 0.427 346 P HA 0.032 nan 4.420 nan 0.000 0.261 346 P C 0.739 177.482 177.300 -0.928 0.000 1.183 346 P CA 1.236 63.712 63.100 -1.040 0.000 0.761 346 P CB 0.427 31.015 31.700 -1.852 0.000 0.785 347 G N 2.305 110.891 108.800 -0.357 0.000 2.194 347 G HA2 -0.211 3.750 3.960 0.001 0.000 0.236 347 G HA3 -0.211 3.750 3.960 0.001 0.000 0.236 347 G C 0.261 175.219 174.900 0.097 0.000 0.987 347 G CA 0.030 45.212 45.100 0.137 0.000 0.635 347 G HN 0.512 nan 8.290 nan 0.000 0.520 348 S N 1.069 116.763 115.700 -0.011 0.000 2.078 348 S HA 0.642 5.112 4.470 0.001 0.000 0.168 348 S C 0.930 175.538 174.600 0.013 0.000 1.542 348 S CA 0.619 58.828 58.200 0.014 0.000 1.223 348 S CB 0.693 63.885 63.200 -0.013 0.000 1.152 348 S HN 2.210 nan 8.310 nan 0.000 0.452 349 G N 1.804 110.632 108.800 0.047 0.000 2.642 349 G HA2 0.080 4.040 3.960 0.001 0.000 0.231 349 G HA3 0.080 4.040 3.960 0.001 0.000 0.231 349 G C 0.019 174.937 174.900 0.030 0.000 1.338 349 G CA -0.633 44.493 45.100 0.045 0.000 0.883 349 G HN 1.254 nan 8.290 nan 0.000 0.570 350 A N -0.348 122.491 122.820 0.033 0.000 2.546 350 A HA 0.677 4.998 4.320 0.001 0.000 0.243 350 A C 0.834 178.421 177.584 0.005 0.000 1.063 350 A CA 1.749 53.804 52.037 0.031 0.000 0.757 350 A CB -0.165 18.863 19.000 0.048 0.000 0.991 350 A HN 2.591 nan 8.150 nan 0.000 0.503 351 A N 2.239 125.048 122.820 -0.018 0.000 2.520 351 A HA 0.704 5.024 4.320 0.001 0.000 0.298 351 A C -1.220 176.325 177.584 -0.064 0.000 1.051 351 A CA -0.454 51.548 52.037 -0.057 0.000 0.690 351 A CB 1.020 19.927 19.000 -0.155 0.000 1.281 351 A HN 0.876 nan 8.150 nan 0.000 0.402 352 L N 1.232 122.418 121.223 -0.062 0.000 2.409 352 L HA 0.746 5.086 4.340 0.001 0.000 0.262 352 L C -0.952 175.802 176.870 -0.193 0.000 0.992 352 L CA -0.489 54.245 54.840 -0.177 0.000 0.817 352 L CB 2.137 44.034 42.059 -0.270 0.000 1.350 352 L HN 0.679 nan 8.230 nan 0.000 0.411 353 L N 2.149 123.203 121.223 -0.283 0.000 2.349 353 L HA 0.694 5.034 4.340 0.001 0.000 0.278 353 L C -1.548 175.187 176.870 -0.225 0.000 0.996 353 L CA 0.093 54.859 54.840 -0.124 0.000 0.825 353 L CB 1.060 43.109 42.059 -0.015 0.000 1.243 353 L HN 0.306 nan 8.230 nan 0.000 0.412 354 F N 3.808 123.799 119.950 0.068 0.000 2.469 354 F HA 0.598 5.125 4.527 0.001 0.000 0.332 354 F C 0.282 176.075 175.800 -0.010 0.000 1.103 354 F CA -0.583 57.430 58.000 0.021 0.000 0.979 354 F CB 1.579 40.551 39.000 -0.047 0.000 1.137 354 F HN 0.388 nan 8.300 nan 0.000 0.463 355 R N 3.202 123.755 120.500 0.089 0.000 2.255 355 R HA 0.682 5.022 4.340 0.001 0.000 0.326 355 R C -1.864 174.340 176.300 -0.160 0.000 0.986 355 R CA -0.620 55.336 56.100 -0.240 0.000 0.847 355 R CB 0.677 30.813 30.300 -0.274 0.000 1.111 355 R HN 0.671 nan 8.270 nan 0.000 0.452 356 L N 3.292 124.377 121.223 -0.230 0.000 2.341 356 L HA 0.412 4.752 4.340 0.001 0.000 0.278 356 L C -0.515 176.258 176.870 -0.161 0.000 1.005 356 L CA -0.168 54.583 54.840 -0.149 0.000 0.818 356 L CB 1.925 43.908 42.059 -0.127 0.000 1.259 356 L HN 0.585 nan 8.230 nan 0.000 0.418 357 Q N 3.247 122.981 119.800 -0.110 0.000 2.292 357 Q HA 0.286 4.626 4.340 0.001 0.000 0.270 357 Q C -0.868 175.097 176.000 -0.060 0.000 1.024 357 Q CA -0.463 55.288 55.803 -0.087 0.000 0.768 357 Q CB 1.388 30.082 28.738 -0.073 0.000 1.250 357 Q HN 0.677 nan 8.270 nan 0.000 0.447 358 E N 3.493 123.662 120.200 -0.052 0.000 2.228 358 E HA -0.305 4.045 4.350 0.001 0.000 0.213 358 E C -0.294 176.280 176.600 -0.044 0.000 1.282 358 E CA 0.874 57.250 56.400 -0.040 0.000 0.707 358 E CB -0.938 28.745 29.700 -0.029 0.000 1.150 358 E HN 0.843 nan 8.360 nan 0.000 0.362 359 R N -2.874 117.593 120.500 -0.055 0.000 3.785 359 R HA -0.209 4.131 4.340 0.001 0.000 0.476 359 R C 0.124 176.382 176.300 -0.071 0.000 0.905 359 R CA 1.785 57.848 56.100 -0.061 0.000 1.412 359 R CB -1.053 29.218 30.300 -0.047 0.000 2.077 359 R HN 0.263 nan 8.270 nan 0.000 0.504 360 R N 1.027 121.488 120.500 -0.064 0.000 2.445 360 R HA 0.463 4.803 4.340 0.001 0.000 0.308 360 R C 0.038 176.302 176.300 -0.060 0.000 0.961 360 R CA -0.864 55.200 56.100 -0.060 0.000 0.862 360 R CB 1.369 31.645 30.300 -0.040 0.000 1.144 360 R HN -0.001 nan 8.270 nan 0.000 0.447 361 I N 3.744 124.278 120.570 -0.060 0.000 2.664 361 I HA -0.146 4.025 4.170 0.001 0.000 0.284 361 I C 1.126 177.246 176.117 0.005 0.000 1.154 361 I CA 0.499 61.786 61.300 -0.021 0.000 1.402 361 I CB 0.613 38.609 38.000 -0.006 0.000 1.395 361 I HN 0.503 nan 8.210 nan 0.000 0.545 362 Q N 5.340 125.145 119.800 0.008 0.000 2.392 362 Q HA 0.402 4.743 4.340 0.001 0.000 0.219 362 Q C 0.175 176.199 176.000 0.039 0.000 0.895 362 Q CA 0.242 56.051 55.803 0.011 0.000 0.929 362 Q CB 1.111 29.840 28.738 -0.015 0.000 1.077 362 Q HN 0.798 nan 8.270 nan 0.000 0.532 363 A N -0.341 122.517 122.820 0.064 0.000 2.597 363 A HA 0.656 4.976 4.320 0.001 0.000 0.292 363 A C -1.725 175.910 177.584 0.084 0.000 1.057 363 A CA -0.448 51.637 52.037 0.080 0.000 0.674 363 A CB 1.453 20.502 19.000 0.082 0.000 1.278 363 A HN -0.045 nan 8.150 nan 0.000 0.416 364 V N 0.507 120.455 119.914 0.057 0.000 3.012 364 V HA 0.717 4.837 4.120 0.001 0.000 0.307 364 V C -1.579 174.529 176.094 0.024 0.000 1.166 364 V CA -0.425 61.832 62.300 -0.072 0.000 0.974 364 V CB 2.182 33.874 31.823 -0.217 0.000 1.040 364 V HN 1.219 nan 8.190 nan 0.000 0.428 365 V N 5.289 125.165 119.914 -0.063 0.000 2.444 365 V HA 0.867 4.988 4.120 0.001 0.000 0.294 365 V C 0.269 176.321 176.094 -0.071 0.000 1.022 365 V CA -0.061 62.227 62.300 -0.019 0.000 0.850 365 V CB 1.499 33.318 31.823 -0.007 0.000 0.992 365 V HN 1.179 nan 8.190 nan 0.000 0.426 366 A N 4.737 127.540 122.820 -0.029 0.000 2.304 366 A HA 0.855 5.175 4.320 0.001 0.000 0.323 366 A C -0.743 176.816 177.584 -0.041 0.000 1.195 366 A CA -0.531 51.493 52.037 -0.021 0.000 0.826 366 A CB 1.440 20.505 19.000 0.108 0.000 1.184 366 A HN 0.691 nan 8.150 nan 0.000 0.496 367 V N 3.114 123.016 119.914 -0.021 0.000 2.350 367 V HA 0.316 4.436 4.120 0.001 0.000 0.285 367 V C -0.525 175.604 176.094 0.059 0.000 1.014 367 V CA -0.493 61.822 62.300 0.026 0.000 0.831 367 V CB 0.912 32.711 31.823 -0.040 0.000 1.000 367 V HN 1.004 nan 8.190 nan 0.000 0.433 368 D N 3.663 124.122 120.400 0.098 0.000 2.689 368 D HA -0.206 4.434 4.640 0.001 0.000 0.237 368 D C 0.420 176.757 176.300 0.062 0.000 1.148 368 D CA 1.274 55.332 54.000 0.097 0.000 0.656 368 D CB -0.490 40.408 40.800 0.164 0.000 1.050 368 D HN 0.921 nan 8.370 nan 0.000 0.426 369 A N -0.275 122.575 122.820 0.051 0.000 3.453 369 A HA 0.431 4.751 4.320 0.001 0.000 0.262 369 A C -1.346 176.299 177.584 0.101 0.000 1.026 369 A CA -0.695 51.384 52.037 0.069 0.000 0.938 369 A CB 1.003 20.047 19.000 0.074 0.000 1.246 369 A HN -0.042 nan 8.150 nan 0.000 0.546 370 P HA -0.196 nan 4.420 nan 0.000 0.215 370 P C 1.392 178.774 177.300 0.137 0.000 1.153 370 P CA 1.145 64.305 63.100 0.099 0.000 0.853 370 P CB 0.207 31.924 31.700 0.027 0.000 0.788 371 R N -0.354 120.201 120.500 0.091 0.000 2.075 371 R HA -0.078 4.263 4.340 0.001 0.000 0.232 371 R C 2.102 178.460 176.300 0.095 0.000 1.126 371 R CA 1.413 57.559 56.100 0.077 0.000 0.963 371 R CB -0.664 29.667 30.300 0.051 0.000 0.858 371 R HN 0.160 nan 8.270 nan 0.000 0.435 372 D N 0.300 120.770 120.400 0.117 0.000 2.144 372 D HA -0.172 4.468 4.640 0.001 0.000 0.199 372 D C 1.527 177.919 176.300 0.153 0.000 0.984 372 D CA 0.954 55.036 54.000 0.137 0.000 0.834 372 D CB -0.219 40.667 40.800 0.144 0.000 0.955 372 D HN 0.072 nan 8.370 nan 0.000 0.465 373 F N 1.749 121.717 119.950 0.031 0.000 2.134 373 F HA -0.154 4.374 4.527 0.001 0.000 0.299 373 F C 2.175 177.994 175.800 0.033 0.000 1.097 373 F CA 1.456 59.466 58.000 0.017 0.000 1.264 373 F CB -0.367 38.636 39.000 0.005 0.000 1.001 373 F HN -0.059 nan 8.300 nan 0.000 0.479 374 A N 0.671 123.461 122.820 -0.051 0.000 1.883 374 A HA -0.170 4.150 4.320 0.001 0.000 0.217 374 A C 2.272 179.772 177.584 -0.141 0.000 1.186 374 A CA 2.075 54.032 52.037 -0.134 0.000 0.624 374 A CB -1.248 17.751 19.000 -0.001 0.000 0.822 374 A HN 0.495 nan 8.150 nan 0.000 0.444 375 L N -0.890 120.306 121.223 -0.044 0.000 2.056 375 L HA -0.120 4.220 4.340 0.001 0.000 0.207 375 L C 3.030 179.900 176.870 -0.000 0.000 1.078 375 L CA 1.036 55.877 54.840 0.002 0.000 0.749 375 L CB -0.497 41.603 42.059 0.067 0.000 0.901 375 L HN 0.399 nan 8.230 nan 0.000 0.433 376 A N -0.540 122.277 122.820 -0.006 0.000 1.969 376 A HA -0.169 4.152 4.320 0.001 0.000 0.218 376 A C 2.374 179.905 177.584 -0.089 0.000 1.169 376 A CA 2.127 54.194 52.037 0.051 0.000 0.635 376 A CB -0.851 18.208 19.000 0.098 0.000 0.810 376 A HN 0.381 nan 8.150 nan 0.000 0.445 377 T N -0.328 114.028 114.554 -0.330 0.000 2.746 377 T HA -0.140 4.211 4.350 0.001 0.000 0.267 377 T C 2.043 176.657 174.700 -0.143 0.000 1.039 377 T CA 1.369 63.266 62.100 -0.339 0.000 1.142 377 T CB -0.247 68.281 68.868 -0.565 0.000 0.866 377 T HN 0.476 nan 8.240 nan 0.000 0.444 378 R N 0.531 120.966 120.500 -0.107 0.000 2.103 378 R HA -0.038 4.303 4.340 0.001 0.000 0.242 378 R C 2.450 178.739 176.300 -0.018 0.000 1.142 378 R CA 1.151 57.224 56.100 -0.045 0.000 0.960 378 R CB -0.672 29.612 30.300 -0.026 0.000 0.858 378 R HN 0.401 nan 8.270 nan 0.000 0.439 379 L N 0.135 121.356 121.223 -0.002 0.000 2.083 379 L HA -0.165 4.176 4.340 0.001 0.000 0.209 379 L C 2.430 179.305 176.870 0.008 0.000 1.083 379 L CA 0.977 55.823 54.840 0.009 0.000 0.752 379 L CB -0.436 41.638 42.059 0.025 0.000 0.899 379 L HN 0.029 nan 8.230 nan 0.000 0.433 380 V N -0.287 119.635 119.914 0.013 0.000 2.358 380 V HA -0.243 3.878 4.120 0.001 0.000 0.246 380 V C 2.323 178.421 176.094 0.006 0.000 1.047 380 V CA 1.645 63.955 62.300 0.018 0.000 1.035 380 V CB -0.439 31.396 31.823 0.019 0.000 0.658 380 V HN 0.425 nan 8.190 nan 0.000 0.452 381 E N 0.383 120.579 120.200 -0.006 0.000 2.077 381 E HA -0.190 4.160 4.350 0.001 0.000 0.193 381 E C 2.230 178.832 176.600 0.002 0.000 0.989 381 E CA 1.394 57.793 56.400 -0.001 0.000 0.800 381 E CB -0.318 29.377 29.700 -0.009 0.000 0.746 381 E HN 0.596 nan 8.360 nan 0.000 0.452 382 A N 0.496 123.315 122.820 -0.001 0.000 2.119 382 A HA -0.045 4.275 4.320 0.001 0.000 0.216 382 A C 0.693 178.275 177.584 -0.003 0.000 1.152 382 A CA 0.324 52.360 52.037 -0.001 0.000 0.708 382 A CB -0.180 18.820 19.000 -0.002 0.000 0.805 382 A HN 0.174 nan 8.150 nan 0.000 0.460 383 R N -1.670 118.828 120.500 -0.003 0.000 3.264 383 R HA -0.187 4.153 4.340 0.001 0.000 0.251 383 R C 0.210 176.497 176.300 -0.022 0.000 0.971 383 R CA 0.153 56.248 56.100 -0.009 0.000 0.658 383 R CB -2.202 28.094 30.300 -0.006 0.000 1.095 383 R HN 0.696 nan 8.270 nan 0.000 0.443 384 A N 0.772 123.575 122.820 -0.028 0.000 2.477 384 A HA 0.529 4.849 4.320 0.001 0.000 0.246 384 A C 0.829 178.374 177.584 -0.065 0.000 1.078 384 A CA 0.349 52.362 52.037 -0.039 0.000 0.770 384 A CB 0.539 19.517 19.000 -0.037 0.000 1.011 384 A HN 0.525 nan 8.150 nan 0.000 0.494 385 A N 3.891 126.679 122.820 -0.053 0.000 2.539 385 A HA 0.530 4.850 4.320 0.001 0.000 0.306 385 A C -0.072 177.464 177.584 -0.081 0.000 1.392 385 A CA -0.128 51.870 52.037 -0.065 0.000 1.060 385 A CB -0.549 18.426 19.000 -0.043 0.000 1.134 385 A HN 0.610 nan 8.150 nan 0.000 0.542 386 I N 2.112 122.597 120.570 -0.142 0.000 2.465 386 I HA 0.265 4.436 4.170 0.001 0.000 0.291 386 I C 0.018 176.022 176.117 -0.188 0.000 1.014 386 I CA -0.705 60.485 61.300 -0.182 0.000 1.093 386 I CB 1.564 39.339 38.000 -0.375 0.000 1.267 386 I HN 0.527 nan 8.210 nan 0.000 0.431 387 E N 6.991 127.121 120.200 -0.116 0.000 2.480 387 E HA 0.025 4.375 4.350 0.001 0.000 0.258 387 E C -1.557 174.959 176.600 -0.141 0.000 0.984 387 E CA -1.299 55.045 56.400 -0.094 0.000 0.930 387 E CB 0.771 30.450 29.700 -0.036 0.000 0.936 387 E HN 0.316 nan 8.360 nan 0.000 0.466 388 P HA -0.206 nan 4.420 nan 0.000 0.216 388 P C 1.042 178.287 177.300 -0.091 0.000 1.150 388 P CA 1.845 64.864 63.100 -0.136 0.000 0.843 388 P CB 0.241 31.892 31.700 -0.083 0.000 0.787 389 A N -0.176 122.616 122.820 -0.047 0.000 1.902 389 A HA -0.225 4.096 4.320 0.001 0.000 0.217 389 A C 2.269 179.862 177.584 0.015 0.000 1.181 389 A CA 1.548 53.578 52.037 -0.011 0.000 0.623 389 A CB -1.012 17.987 19.000 -0.001 0.000 0.818 389 A HN 0.087 nan 8.150 nan 0.000 0.443 390 R N -0.672 119.844 120.500 0.027 0.000 2.075 390 R HA -0.001 4.339 4.340 0.001 0.000 0.232 390 R C 2.094 178.510 176.300 0.193 0.000 1.126 390 R CA 1.370 57.561 56.100 0.152 0.000 0.963 390 R CB -0.504 29.945 30.300 0.249 0.000 0.858 390 R HN 0.490 nan 8.270 nan 0.000 0.435 391 L N 0.109 121.236 121.223 -0.161 0.000 2.046 391 L HA -0.160 4.180 4.340 0.001 0.000 0.208 391 L C 2.559 179.393 176.870 -0.060 0.000 1.077 391 L CA 1.288 55.889 54.840 -0.399 0.000 0.747 391 L CB -0.482 41.152 42.059 -0.709 0.000 0.896 391 L HN 0.274 nan 8.230 nan 0.000 0.432 392 A N -1.323 121.488 122.820 -0.015 0.000 2.066 392 A HA -0.149 4.171 4.320 0.001 0.000 0.218 392 A C 0.928 178.557 177.584 0.074 0.000 1.157 392 A CA 0.482 52.546 52.037 0.046 0.000 0.670 392 A CB -0.388 18.629 19.000 0.028 0.000 0.804 392 A HN 0.303 nan 8.150 nan 0.000 0.453 393 D N 0.420 120.876 120.400 0.092 0.000 2.342 393 D HA 0.191 4.832 4.640 0.001 0.000 0.260 393 D C 0.897 177.257 176.300 0.100 0.000 1.278 393 D CA -0.026 54.025 54.000 0.086 0.000 0.910 393 D CB 0.250 41.100 40.800 0.082 0.000 1.079 393 D HN 0.275 nan 8.370 nan 0.000 0.496 394 L N 2.724 123.991 121.223 0.072 0.000 2.456 394 L HA -0.133 4.208 4.340 0.001 0.000 0.224 394 L C 2.120 179.016 176.870 0.043 0.000 1.148 394 L CA 0.737 55.618 54.840 0.067 0.000 0.825 394 L CB -0.318 41.771 42.059 0.050 0.000 0.937 394 L HN 0.388 nan 8.230 nan 0.000 0.450 395 S N -2.068 113.649 115.700 0.028 0.000 2.527 395 S HA -0.031 4.439 4.470 0.001 0.000 0.222 395 S C 0.649 175.233 174.600 -0.027 0.000 0.985 395 S CA -0.273 57.928 58.200 0.002 0.000 0.921 395 S CB -0.512 62.688 63.200 -0.000 0.000 0.772 395 S HN 0.439 nan 8.310 nan 0.000 0.529 396 N N 2.710 121.396 118.700 -0.024 0.000 2.434 396 N HA 0.355 5.096 4.740 0.001 0.000 0.272 396 N C -0.381 175.046 175.510 -0.139 0.000 1.040 396 N CA -0.287 52.677 53.050 -0.142 0.000 0.956 396 N CB 1.241 39.624 38.487 -0.173 0.000 1.108 396 N HN 0.395 nan 8.380 nan 0.000 0.481 397 S N 2.328 117.903 115.700 -0.208 0.000 2.601 397 S HA 0.176 4.646 4.470 0.001 0.000 0.271 397 S C 1.356 175.851 174.600 -0.175 0.000 1.305 397 S CA -0.700 57.429 58.200 -0.119 0.000 1.022 397 S CB 1.001 64.148 63.200 -0.088 0.000 0.940 397 S HN 0.410 nan 8.310 nan 0.000 0.525 398 M N 1.489 121.132 119.600 0.071 0.000 2.213 398 M HA -0.030 4.450 4.480 0.001 0.000 0.263 398 M C 2.169 178.542 176.300 0.122 0.000 1.062 398 M CA 1.371 56.826 55.300 0.258 0.000 1.105 398 M CB -1.371 31.382 32.600 0.255 0.000 1.385 398 M HN 0.780 nan 8.290 nan 0.000 0.417 399 R N 0.259 120.766 120.500 0.013 0.000 2.105 399 R HA -0.158 4.183 4.340 0.001 0.000 0.239 399 R C 1.227 177.488 176.300 -0.064 0.000 1.135 399 R CA 1.294 57.386 56.100 -0.013 0.000 0.967 399 R CB -0.482 29.802 30.300 -0.026 0.000 0.861 399 R HN 0.425 nan 8.270 nan 0.000 0.442 400 D N -0.299 119.985 120.400 -0.193 0.000 2.349 400 D HA -0.044 4.596 4.640 0.001 0.000 0.224 400 D C 1.241 177.366 176.300 -0.293 0.000 1.029 400 D CA 0.729 54.575 54.000 -0.256 0.000 0.879 400 D CB 0.037 40.643 40.800 -0.323 0.000 0.906 400 D HN 0.149 nan 8.370 nan 0.000 0.528 401 F N 0.419 120.356 119.950 -0.021 0.000 2.317 401 F HA 0.034 4.562 4.527 0.001 0.000 0.293 401 F C 1.540 177.323 175.800 -0.027 0.000 1.085 401 F CA 0.026 58.005 58.000 -0.034 0.000 1.390 401 F CB -0.538 38.432 39.000 -0.051 0.000 1.077 401 F HN -0.272 nan 8.300 nan 0.000 0.517 402 V N 0.000 120.003 119.914 0.148 0.000 2.409 402 V HA 0.000 4.120 4.120 0.001 0.000 0.244 402 V CA 0.000 62.346 62.300 0.077 0.000 1.235 402 V CB 0.000 31.858 31.823 0.058 0.000 1.184 402 V HN 0.000 nan 8.190 nan 0.000 0.556