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 3h7f_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMSAPLAEV DPDIAELLAK ELGRQRDTLE MIASENFVPR AVLQAQGSVL DATA SEQUENCE TNKYAEGLPG RRYYGGCEHV DVVENLARDR AKALFGAEFA NVQPHSGAQA DATA SEQUENCE NAAVLHALMS PGERLLGLDL ANGGHLTHGM RLNFSGKLYE NGFYGVDPAT DATA SEQUENCE HLIDMDAVRA TALEFRPKVI IAGWSAYPRV LDFAAFRSIA DEVGAKLLVD DATA SEQUENCE MAHFAGLVAA GLHPSPVPHA DVVSTTVHXT LGGGRSGLIV GKQQYAKAIN DATA SEQUENCE SAVFPGQQGG PLMHVIAGKA VALKIAATPE FADRQRRTLS GARIIADRLM DATA SEQUENCE APDVAKAGVS VVSGGTDVHL VLVDLRDSPL DGQAAEDLLH EVGITVNRXX DATA SEQUENCE XXXXXXXXXX XSGLRIGTPA LATRGFGDTE FTEVADIIAT ALATGSSVDV DATA SEQUENCE SALKDRATRL ARAFPLYDGL EEWSLVG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 -1 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 0 S N -0.346 115.352 115.700 -0.003 0.000 2.515 0 S HA -0.039 4.431 4.470 -0.000 0.000 0.231 0 S C 2.178 176.775 174.600 -0.005 0.000 0.987 0 S CA 1.093 59.290 58.200 -0.004 0.000 0.936 0 S CB -0.173 63.024 63.200 -0.004 0.000 0.766 0 S HN 0.392 nan 8.310 nan 0.000 0.528 1 M N 1.897 121.494 119.600 -0.005 0.000 2.202 1 M HA 0.017 4.497 4.480 -0.000 0.000 0.262 1 M C 1.354 177.650 176.300 -0.007 0.000 1.063 1 M CA 1.141 56.438 55.300 -0.006 0.000 1.097 1 M CB -1.357 31.240 32.600 -0.006 0.000 1.382 1 M HN 0.356 nan 8.290 nan 0.000 0.413 2 S N -0.509 115.188 115.700 -0.005 0.000 2.568 2 S HA 0.388 4.858 4.470 -0.000 0.000 0.232 2 S C 0.520 175.118 174.600 -0.004 0.000 0.975 2 S CA -0.374 57.823 58.200 -0.005 0.000 0.949 2 S CB 0.116 63.314 63.200 -0.003 0.000 0.829 2 S HN 0.381 nan 8.310 nan 0.000 0.479 3 A N 3.690 126.507 122.820 -0.004 0.000 2.363 3 A HA 0.593 4.913 4.320 -0.000 0.000 0.270 3 A C -2.283 175.298 177.584 -0.005 0.000 1.121 3 A CA -1.443 50.591 52.037 -0.004 0.000 0.800 3 A CB -0.110 18.887 19.000 -0.004 0.000 1.052 3 A HN 0.136 nan 8.150 nan 0.000 0.493 4 P HA 0.045 nan 4.420 nan 0.000 0.272 4 P C 0.970 178.267 177.300 -0.007 0.000 1.223 4 P CA -0.481 62.616 63.100 -0.005 0.000 0.784 4 P CB 0.614 32.311 31.700 -0.005 0.000 0.923 5 L N 3.149 124.367 121.223 -0.008 0.000 2.051 5 L HA -0.261 4.079 4.340 -0.000 0.000 0.214 5 L C 2.334 179.199 176.870 -0.008 0.000 1.076 5 L CA 2.626 57.461 54.840 -0.008 0.000 0.758 5 L CB -1.540 40.513 42.059 -0.010 0.000 0.890 5 L HN 0.512 nan 8.230 nan 0.000 0.433 6 A N -1.102 121.713 122.820 -0.009 0.000 1.978 6 A HA -0.246 4.074 4.320 -0.000 0.000 0.220 6 A C 2.171 179.751 177.584 -0.007 0.000 1.170 6 A CA 2.041 54.073 52.037 -0.009 0.000 0.636 6 A CB -0.544 18.450 19.000 -0.010 0.000 0.810 6 A HN 0.683 nan 8.150 nan 0.000 0.448 7 E N -0.712 119.485 120.200 -0.006 0.000 2.060 7 E HA -0.050 4.300 4.350 -0.000 0.000 0.189 7 E C 2.015 178.612 176.600 -0.005 0.000 0.974 7 E CA 1.045 57.441 56.400 -0.005 0.000 0.808 7 E CB -0.183 29.515 29.700 -0.005 0.000 0.768 7 E HN 0.389 nan 8.360 nan 0.000 0.453 8 V N 1.091 121.002 119.914 -0.005 0.000 2.358 8 V HA -0.124 3.995 4.120 -0.000 0.000 0.246 8 V C 0.802 176.893 176.094 -0.004 0.000 1.047 8 V CA 1.322 63.619 62.300 -0.005 0.000 1.035 8 V CB -0.036 31.784 31.823 -0.005 0.000 0.658 8 V HN 0.190 nan 8.190 nan 0.000 0.452 9 D N -1.775 118.622 120.400 -0.005 0.000 2.586 9 D HA 0.242 4.882 4.640 -0.000 0.000 0.254 9 D C -2.159 174.138 176.300 -0.005 0.000 1.248 9 D CA -1.482 52.516 54.000 -0.005 0.000 0.843 9 D CB 1.597 42.394 40.800 -0.005 0.000 1.332 9 D HN 0.070 nan 8.370 nan 0.000 0.523 10 P HA -0.084 nan 4.420 nan 0.000 0.218 10 P C 0.942 178.239 177.300 -0.005 0.000 1.148 10 P CA 0.860 63.957 63.100 -0.005 0.000 0.822 10 P CB 0.549 32.247 31.700 -0.004 0.000 0.784 11 D N -0.940 119.458 120.400 -0.004 0.000 2.117 11 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 11 D C 1.956 178.254 176.300 -0.003 0.000 0.982 11 D CA 0.954 54.952 54.000 -0.003 0.000 0.828 11 D CB -0.426 40.373 40.800 -0.001 0.000 0.967 11 D HN 0.091 nan 8.370 nan 0.000 0.464 12 I N 1.350 121.917 120.570 -0.004 0.000 2.252 12 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 12 I C 2.512 178.625 176.117 -0.007 0.000 1.102 12 I CA 0.528 61.825 61.300 -0.005 0.000 1.385 12 I CB -1.111 36.886 38.000 -0.005 0.000 1.064 12 I HN -0.132 nan 8.210 nan 0.000 0.414 13 A N 0.694 123.509 122.820 -0.009 0.000 1.908 13 A HA -0.270 4.050 4.320 -0.000 0.000 0.218 13 A C 2.275 179.851 177.584 -0.013 0.000 1.181 13 A CA 2.158 54.188 52.037 -0.012 0.000 0.627 13 A CB -0.602 18.391 19.000 -0.012 0.000 0.818 13 A HN 0.404 nan 8.150 nan 0.000 0.445 14 E N 0.064 120.258 120.200 -0.009 0.000 2.106 14 E HA -0.096 4.254 4.350 -0.000 0.000 0.192 14 E C 1.779 178.376 176.600 -0.006 0.000 0.984 14 E CA 1.141 57.536 56.400 -0.008 0.000 0.806 14 E CB -0.414 29.283 29.700 -0.005 0.000 0.750 14 E HN 0.598 nan 8.360 nan 0.000 0.458 15 L N -0.373 120.848 121.223 -0.004 0.000 2.093 15 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 15 L C 2.187 179.056 176.870 -0.002 0.000 1.085 15 L CA 0.427 55.266 54.840 -0.000 0.000 0.755 15 L CB -0.331 41.729 42.059 0.002 0.000 0.904 15 L HN 0.202 nan 8.230 nan 0.000 0.435 16 L N -0.173 121.045 121.223 -0.008 0.000 2.042 16 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 16 L C 2.727 179.585 176.870 -0.020 0.000 1.076 16 L CA 2.067 56.898 54.840 -0.015 0.000 0.749 16 L CB -1.013 41.032 42.059 -0.023 0.000 0.893 16 L HN 0.201 nan 8.230 nan 0.000 0.432 17 A N -0.973 121.835 122.820 -0.020 0.000 1.898 17 A HA -0.218 4.102 4.320 -0.000 0.000 0.216 17 A C 2.340 179.918 177.584 -0.011 0.000 1.181 17 A CA 1.677 53.700 52.037 -0.023 0.000 0.620 17 A CB -0.395 18.591 19.000 -0.023 0.000 0.819 17 A HN 0.378 nan 8.150 nan 0.000 0.442 18 K N -0.693 119.706 120.400 -0.002 0.000 2.057 18 K HA -0.183 4.137 4.320 -0.000 0.000 0.207 18 K C 2.112 178.723 176.600 0.018 0.000 1.049 18 K CA 1.547 57.839 56.287 0.008 0.000 0.931 18 K CB -0.081 32.426 32.500 0.011 0.000 0.714 18 K HN 0.491 nan 8.250 nan 0.000 0.440 19 E N 1.409 121.620 120.200 0.019 0.000 2.106 19 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 19 E C 1.802 178.429 176.600 0.044 0.000 0.984 19 E CA 0.705 57.125 56.400 0.035 0.000 0.806 19 E CB -0.201 29.518 29.700 0.031 0.000 0.750 19 E HN 0.128 nan 8.360 nan 0.000 0.458 20 L N 0.136 121.371 121.223 0.020 0.000 2.042 20 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 20 L C 2.189 179.076 176.870 0.028 0.000 1.076 20 L CA 2.529 57.380 54.840 0.018 0.000 0.749 20 L CB -1.142 40.899 42.059 -0.031 0.000 0.893 20 L HN 0.244 nan 8.230 nan 0.000 0.432 21 G N -0.866 107.944 108.800 0.016 0.000 2.440 21 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.218 21 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.218 21 G C 1.823 176.742 174.900 0.032 0.000 1.154 21 G CA 0.792 45.902 45.100 0.016 0.000 0.767 21 G HN 0.427 nan 8.290 nan 0.000 0.552 22 R N 0.111 120.639 120.500 0.046 0.000 2.075 22 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 22 R C 2.706 179.057 176.300 0.085 0.000 1.126 22 R CA 1.609 57.746 56.100 0.063 0.000 0.963 22 R CB -0.337 30.006 30.300 0.071 0.000 0.858 22 R HN 0.449 nan 8.270 nan 0.000 0.435 23 Q N -0.213 119.652 119.800 0.108 0.000 2.096 23 Q HA -0.181 4.158 4.340 -0.000 0.000 0.204 23 Q C 2.245 178.276 176.000 0.051 0.000 0.982 23 Q CA 1.748 57.642 55.803 0.152 0.000 0.850 23 Q CB -0.057 28.814 28.738 0.222 0.000 0.901 23 Q HN 0.352 nan 8.270 nan 0.000 0.422 24 R N 0.276 120.785 120.500 0.016 0.000 2.075 24 R HA -0.106 4.234 4.340 -0.000 0.000 0.232 24 R C 1.444 177.750 176.300 0.009 0.000 1.126 24 R CA 1.339 57.427 56.100 -0.019 0.000 0.963 24 R CB 0.032 30.325 30.300 -0.011 0.000 0.858 24 R HN 0.241 nan 8.270 nan 0.000 0.435 25 D N -0.273 120.143 120.400 0.026 0.000 2.305 25 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 25 D C 0.885 177.206 176.300 0.035 0.000 0.974 25 D CA 0.904 54.921 54.000 0.028 0.000 0.871 25 D CB 0.089 40.902 40.800 0.022 0.000 0.947 25 D HN 0.263 nan 8.370 nan 0.000 0.516 26 T N -1.656 112.926 114.554 0.048 0.000 2.944 26 T HA 0.570 4.920 4.350 -0.000 0.000 0.284 26 T C 0.174 174.910 174.700 0.061 0.000 1.010 26 T CA -0.881 61.249 62.100 0.050 0.000 1.025 26 T CB 1.405 70.312 68.868 0.065 0.000 1.079 26 T HN -0.126 nan 8.240 nan 0.000 0.516 27 L N 1.811 123.066 121.223 0.053 0.000 2.264 27 L HA 0.425 4.765 4.340 -0.000 0.000 0.287 27 L C 0.203 177.102 176.870 0.048 0.000 1.039 27 L CA -0.813 54.050 54.840 0.037 0.000 0.829 27 L CB 0.797 42.886 42.059 0.049 0.000 1.211 27 L HN 0.737 nan 8.230 nan 0.000 0.427 28 E N 4.402 124.639 120.200 0.060 0.000 2.129 28 E HA 0.180 4.530 4.350 -0.000 0.000 0.283 28 E C -0.029 176.581 176.600 0.016 0.000 1.080 28 E CA 0.352 56.783 56.400 0.051 0.000 0.867 28 E CB 0.680 30.410 29.700 0.050 0.000 1.056 28 E HN 0.485 nan 8.360 nan 0.000 0.404 29 M N 5.223 124.846 119.600 0.037 0.000 2.692 29 M HA 0.292 4.772 4.480 -0.000 0.000 0.372 29 M C -0.375 175.957 176.300 0.054 0.000 1.192 29 M CA -0.318 55.012 55.300 0.050 0.000 0.928 29 M CB 0.306 32.947 32.600 0.068 0.000 1.366 29 M HN 0.363 nan 8.290 nan 0.000 0.517 30 I N 1.065 121.662 120.570 0.045 0.000 2.452 30 I HA 0.125 4.295 4.170 -0.000 0.000 0.287 30 I C 1.488 177.659 176.117 0.090 0.000 1.079 30 I CA -0.197 61.142 61.300 0.064 0.000 1.387 30 I CB 1.528 39.559 38.000 0.052 0.000 1.404 30 I HN 0.355 nan 8.210 nan 0.000 0.522 31 A N 4.363 127.273 122.820 0.150 0.000 2.019 31 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 31 A C 2.092 179.862 177.584 0.310 0.000 1.164 31 A CA 1.874 54.064 52.037 0.256 0.000 0.644 31 A CB -0.434 18.724 19.000 0.263 0.000 0.805 31 A HN 0.790 nan 8.150 nan 0.000 0.449 32 S N -0.875 114.954 115.700 0.215 0.000 2.575 32 S HA 0.193 4.663 4.470 -0.000 0.000 0.215 32 S C 0.340 174.934 174.600 -0.009 0.000 0.966 32 S CA -0.315 57.901 58.200 0.026 0.000 0.911 32 S CB 0.039 63.270 63.200 0.052 0.000 0.780 32 S HN 0.607 nan 8.310 nan 0.000 0.514 33 E N 1.032 121.227 120.200 -0.009 0.000 2.227 33 E HA 0.538 4.888 4.350 -0.000 0.000 0.268 33 E C -0.599 175.901 176.600 -0.168 0.000 0.990 33 E CA -0.762 55.589 56.400 -0.081 0.000 0.856 33 E CB 0.924 30.561 29.700 -0.105 0.000 1.159 33 E HN 0.156 nan 8.360 nan 0.000 0.401 34 N N 0.074 118.619 118.700 -0.259 0.000 3.364 34 N HA 0.377 5.117 4.740 -0.000 0.000 0.294 34 N C -1.909 173.317 175.510 -0.474 0.000 1.562 34 N CA -0.520 52.328 53.050 -0.336 0.000 0.862 34 N CB 0.994 39.421 38.487 -0.099 0.000 1.691 34 N HN 0.200 nan 8.380 nan 0.000 0.572 35 F N 1.144 121.138 119.950 0.073 0.000 2.499 35 F HA 0.342 4.869 4.527 -0.000 0.000 0.333 35 F C 0.560 176.456 175.800 0.161 0.000 1.138 35 F CA -0.925 57.148 58.000 0.121 0.000 0.945 35 F CB 1.171 40.172 39.000 0.001 0.000 1.181 35 F HN 0.140 nan 8.300 nan 0.000 0.435 36 V N 2.000 122.147 119.914 0.389 0.000 2.924 36 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 36 V C -2.150 174.153 176.094 0.349 0.000 1.073 36 V CA -1.448 61.027 62.300 0.291 0.000 1.098 36 V CB 0.168 32.116 31.823 0.208 0.000 1.000 36 V HN 0.559 nan 8.190 nan 0.000 0.484 37 P HA 0.223 nan 4.420 nan 0.000 0.274 37 P C 0.672 178.091 177.300 0.198 0.000 1.237 37 P CA -0.543 62.684 63.100 0.212 0.000 0.793 37 P CB 0.848 32.619 31.700 0.119 0.000 0.977 38 R N 1.812 122.400 120.500 0.146 0.000 2.134 38 R HA -0.245 4.095 4.340 -0.000 0.000 0.248 38 R C 1.896 178.182 176.300 -0.024 0.000 1.143 38 R CA 2.389 58.492 56.100 0.004 0.000 0.957 38 R CB -1.036 28.962 30.300 -0.504 0.000 0.867 38 R HN 0.556 nan 8.270 nan 0.000 0.441 39 A N 0.030 122.824 122.820 -0.042 0.000 2.015 39 A HA -0.058 4.262 4.320 -0.000 0.000 0.219 39 A C 2.231 179.818 177.584 0.005 0.000 1.163 39 A CA 1.440 53.456 52.037 -0.035 0.000 0.646 39 A CB -0.211 18.765 19.000 -0.041 0.000 0.806 39 A HN 0.259 nan 8.150 nan 0.000 0.448 40 V N 0.036 119.971 119.914 0.035 0.000 2.453 40 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 40 V C 2.503 178.627 176.094 0.049 0.000 1.048 40 V CA 1.604 63.930 62.300 0.043 0.000 1.049 40 V CB -0.712 31.148 31.823 0.061 0.000 0.672 40 V HN 0.574 nan 8.190 nan 0.000 0.457 41 L N -0.378 120.885 121.223 0.066 0.000 2.013 41 L HA -0.300 4.040 4.340 -0.000 0.000 0.212 41 L C 2.703 179.602 176.870 0.049 0.000 1.073 41 L CA 1.916 56.791 54.840 0.059 0.000 0.753 41 L CB -0.735 41.369 42.059 0.075 0.000 0.890 41 L HN 0.372 nan 8.230 nan 0.000 0.432 42 Q N -0.372 119.452 119.800 0.040 0.000 2.050 42 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 42 Q C 2.462 178.480 176.000 0.029 0.000 0.980 42 Q CA 1.654 57.473 55.803 0.028 0.000 0.840 42 Q CB -0.304 28.436 28.738 0.003 0.000 0.898 42 Q HN 0.585 nan 8.270 nan 0.000 0.424 43 A N 1.104 123.941 122.820 0.027 0.000 1.902 43 A HA -0.237 4.082 4.320 -0.000 0.000 0.217 43 A C 1.968 179.593 177.584 0.069 0.000 1.181 43 A CA 1.422 53.480 52.037 0.036 0.000 0.623 43 A CB -0.484 18.529 19.000 0.021 0.000 0.818 43 A HN 0.346 nan 8.150 nan 0.000 0.443 44 Q N -0.964 118.875 119.800 0.064 0.000 2.226 44 Q HA -0.091 4.249 4.340 -0.000 0.000 0.204 44 Q C 1.665 177.748 176.000 0.139 0.000 0.975 44 Q CA 0.965 56.829 55.803 0.102 0.000 0.866 44 Q CB -0.284 28.486 28.738 0.053 0.000 0.915 44 Q HN 0.658 nan 8.270 nan 0.000 0.440 45 G N 0.841 109.685 108.800 0.075 0.000 3.314 45 G HA2 0.053 4.013 3.960 -0.000 0.000 0.238 45 G HA3 0.053 4.013 3.960 -0.000 0.000 0.238 45 G C 0.200 175.111 174.900 0.018 0.000 1.184 45 G CA -0.033 45.092 45.100 0.042 0.000 0.806 45 G HN 0.247 nan 8.290 nan 0.000 0.536 46 S N -0.726 114.992 115.700 0.030 0.000 2.672 46 S HA 0.297 4.766 4.470 -0.000 0.000 0.276 46 S C 1.499 176.073 174.600 -0.042 0.000 1.207 46 S CA 0.013 58.217 58.200 0.006 0.000 1.002 46 S CB 1.649 64.865 63.200 0.027 0.000 0.998 46 S HN 0.546 nan 8.310 nan 0.000 0.542 47 V N -0.389 119.502 119.914 -0.038 0.000 3.444 47 V HA 0.049 4.169 4.120 -0.000 0.000 0.271 47 V C 1.605 177.663 176.094 -0.060 0.000 1.188 47 V CA 0.787 63.053 62.300 -0.057 0.000 1.168 47 V CB -1.394 30.410 31.823 -0.032 0.000 0.810 47 V HN 0.699 nan 8.190 nan 0.000 0.500 48 L N 0.974 122.179 121.223 -0.031 0.000 2.265 48 L HA -0.096 4.244 4.340 -0.000 0.000 0.215 48 L C 2.758 179.594 176.870 -0.057 0.000 1.117 48 L CA 2.272 57.113 54.840 0.001 0.000 0.782 48 L CB -1.443 40.656 42.059 0.067 0.000 0.914 48 L HN 0.524 nan 8.230 nan 0.000 0.441 49 T N -0.639 113.734 114.554 -0.302 0.000 2.822 49 T HA -0.194 4.156 4.350 -0.000 0.000 0.270 49 T C 1.725 176.279 174.700 -0.243 0.000 1.064 49 T CA 1.589 63.351 62.100 -0.564 0.000 1.131 49 T CB -0.244 68.079 68.868 -0.908 0.000 0.858 49 T HN 0.383 nan 8.240 nan 0.000 0.483 50 N N 0.619 119.233 118.700 -0.144 0.000 2.494 50 N HA 0.037 4.776 4.740 -0.000 0.000 0.182 50 N C 0.539 176.031 175.510 -0.031 0.000 1.076 50 N CA 0.463 53.467 53.050 -0.075 0.000 0.908 50 N CB -0.038 38.426 38.487 -0.040 0.000 0.967 50 N HN 0.315 nan 8.380 nan 0.000 0.449 51 K N 0.486 120.869 120.400 -0.027 0.000 2.248 51 K HA 0.152 4.472 4.320 -0.000 0.000 0.281 51 K C -1.302 175.300 176.600 0.003 0.000 1.054 51 K CA -0.359 55.946 56.287 0.030 0.000 0.903 51 K CB -0.014 32.512 32.500 0.043 0.000 1.077 51 K HN -0.050 nan 8.250 nan 0.000 0.474 52 Y N 2.461 122.809 120.300 0.079 0.000 2.404 52 Y HA 0.352 4.901 4.550 -0.000 0.000 0.344 52 Y C 0.378 176.282 175.900 0.006 0.000 0.995 52 Y CA -0.091 58.050 58.100 0.069 0.000 1.201 52 Y CB 1.199 39.778 38.460 0.198 0.000 1.151 52 Y HN 0.743 nan 8.280 nan 0.000 0.517 53 A N 4.448 127.309 122.820 0.069 0.000 2.959 53 A HA 0.261 4.581 4.320 -0.000 0.000 0.280 53 A C -0.300 177.125 177.584 -0.264 0.000 0.953 53 A CA -0.585 51.413 52.037 -0.065 0.000 1.047 53 A CB -0.269 18.698 19.000 -0.054 0.000 1.147 53 A HN 0.807 nan 8.150 nan 0.000 0.489 54 E N 0.242 120.185 120.200 -0.429 0.000 2.452 54 E HA 0.398 4.748 4.350 -0.000 0.000 0.261 54 E C 1.019 177.063 176.600 -0.927 0.000 0.987 54 E CA 1.355 57.154 56.400 -1.000 0.000 0.926 54 E CB 0.559 29.464 29.700 -1.325 0.000 0.934 54 E HN 0.936 nan 8.360 nan 0.000 0.452 55 G N 1.750 109.914 108.800 -1.061 0.000 2.384 55 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.200 55 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.200 55 G C -1.128 173.644 174.900 -0.214 0.000 1.205 55 G CA -0.840 44.032 45.100 -0.381 0.000 1.116 55 G HN 0.397 nan 8.290 nan 0.000 0.547 56 L N 0.945 122.121 121.223 -0.077 0.000 2.309 56 L HA 0.581 4.921 4.340 -0.000 0.000 0.261 56 L C -2.326 174.525 176.870 -0.031 0.000 1.021 56 L CA -2.176 52.638 54.840 -0.043 0.000 0.823 56 L CB 2.512 44.571 42.059 -0.001 0.000 1.366 56 L HN 0.335 nan 8.230 nan 0.000 0.423 57 P HA 0.033 nan 4.420 nan 0.000 0.261 57 P C 0.658 177.956 177.300 -0.003 0.000 1.183 57 P CA 1.081 64.174 63.100 -0.012 0.000 0.761 57 P CB 0.490 32.187 31.700 -0.006 0.000 0.785 58 G N 1.794 110.593 108.800 -0.002 0.000 2.205 58 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.261 58 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.261 58 G C 0.504 175.412 174.900 0.014 0.000 0.980 58 G CA 0.234 45.337 45.100 0.005 0.000 0.632 58 G HN 0.895 nan 8.290 nan 0.000 0.533 59 R N 0.019 120.530 120.500 0.018 0.000 2.627 59 R HA 0.657 4.997 4.340 -0.000 0.000 0.251 59 R C 0.270 176.600 176.300 0.050 0.000 1.524 59 R CA -0.137 55.986 56.100 0.039 0.000 1.606 59 R CB 0.096 30.420 30.300 0.041 0.000 1.396 59 R HN 0.423 nan 8.270 nan 0.000 0.724 60 R N 0.030 120.557 120.500 0.046 0.000 2.573 60 R HA 0.426 4.766 4.340 -0.000 0.000 0.272 60 R C 0.165 176.554 176.300 0.147 0.000 1.009 60 R CA -0.788 55.333 56.100 0.035 0.000 1.059 60 R CB 0.633 30.935 30.300 0.004 0.000 1.112 60 R HN 0.359 nan 8.270 nan 0.000 0.517 61 Y N 0.331 120.541 120.300 -0.151 0.000 2.181 61 Y HA -0.116 4.434 4.550 -0.000 0.000 0.288 61 Y C 0.519 176.429 175.900 0.016 0.000 1.146 61 Y CA 0.981 58.977 58.100 -0.173 0.000 1.164 61 Y CB -0.200 37.959 38.460 -0.503 0.000 0.982 61 Y HN 0.350 nan 8.280 nan 0.000 0.515 62 Y N -1.306 119.090 120.300 0.161 0.000 2.549 62 Y HA 0.610 5.160 4.550 -0.000 0.000 0.339 62 Y C 0.950 176.880 175.900 0.050 0.000 1.053 62 Y CA -2.022 56.129 58.100 0.085 0.000 1.105 62 Y CB 0.226 38.734 38.460 0.080 0.000 1.258 62 Y HN -0.142 nan 8.280 nan 0.000 0.478 63 G N -0.458 108.460 108.800 0.197 0.000 2.588 63 G HA2 0.411 4.371 3.960 -0.000 0.000 0.278 63 G HA3 0.411 4.371 3.960 -0.000 0.000 0.278 63 G C 0.762 175.712 174.900 0.084 0.000 1.307 63 G CA -0.179 44.981 45.100 0.099 0.000 1.016 63 G HN 1.399 nan 8.290 nan 0.000 0.503 64 G N -2.680 106.139 108.800 0.032 0.000 2.148 64 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 64 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 64 G C 0.905 175.801 174.900 -0.006 0.000 0.981 64 G CA 0.638 45.743 45.100 0.010 0.000 0.670 64 G HN 0.939 nan 8.290 nan 0.000 0.528 65 C N 1.719 121.016 119.300 -0.005 0.000 2.625 65 C HA 0.229 4.689 4.460 -0.000 0.000 0.285 65 C C 2.452 177.402 174.990 -0.067 0.000 1.279 65 C CA 0.404 59.415 59.018 -0.011 0.000 1.698 65 C CB -0.640 27.107 27.740 0.011 0.000 1.821 65 C HN 0.751 nan 8.230 nan 0.000 0.600 66 E N 1.420 121.523 120.200 -0.160 0.000 2.097 66 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 66 E C 1.120 177.599 176.600 -0.201 0.000 1.000 66 E CA 1.784 58.048 56.400 -0.227 0.000 0.804 66 E CB -0.598 28.900 29.700 -0.337 0.000 0.740 66 E HN 0.692 nan 8.360 nan 0.000 0.454 67 H N 1.007 120.084 119.070 0.012 0.000 2.372 67 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 67 H C 2.613 177.945 175.328 0.006 0.000 1.065 67 H CA 1.664 57.717 56.048 0.008 0.000 1.364 67 H CB -0.457 29.310 29.762 0.008 0.000 1.406 67 H HN 0.288 nan 8.280 nan 0.000 0.521 68 V N -0.058 119.916 119.914 0.100 0.000 2.626 68 V HA -0.138 3.982 4.120 -0.000 0.000 0.252 68 V C 1.600 177.710 176.094 0.026 0.000 1.067 68 V CA 1.952 64.286 62.300 0.056 0.000 1.081 68 V CB -0.283 31.565 31.823 0.041 0.000 0.686 68 V HN 0.032 nan 8.190 nan 0.000 0.468 69 D N 1.072 121.480 120.400 0.013 0.000 2.117 69 D HA -0.096 4.544 4.640 -0.000 0.000 0.198 69 D C 2.264 178.570 176.300 0.011 0.000 0.982 69 D CA 1.735 55.736 54.000 0.002 0.000 0.828 69 D CB -0.366 40.428 40.800 -0.009 0.000 0.967 69 D HN 0.462 nan 8.370 nan 0.000 0.464 70 V N 0.505 120.435 119.914 0.025 0.000 2.343 70 V HA -0.201 3.919 4.120 -0.000 0.000 0.247 70 V C 2.626 178.733 176.094 0.022 0.000 1.051 70 V CA 0.949 63.267 62.300 0.029 0.000 1.036 70 V CB -0.581 31.271 31.823 0.048 0.000 0.654 70 V HN 0.059 nan 8.190 nan 0.000 0.451 71 V N 0.198 120.129 119.914 0.028 0.000 2.255 71 V HA -0.355 3.765 4.120 -0.000 0.000 0.247 71 V C 2.503 178.600 176.094 0.004 0.000 1.051 71 V CA 2.592 64.902 62.300 0.016 0.000 1.018 71 V CB -0.614 31.223 31.823 0.023 0.000 0.641 71 V HN 0.677 nan 8.190 nan 0.000 0.445 72 E N 0.033 120.234 120.200 0.002 0.000 2.110 72 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 72 E C 2.078 178.676 176.600 -0.003 0.000 0.988 72 E CA 1.392 57.788 56.400 -0.006 0.000 0.804 72 E CB -0.094 29.598 29.700 -0.014 0.000 0.745 72 E HN 0.572 nan 8.360 nan 0.000 0.458 73 N N 0.432 119.133 118.700 0.002 0.000 2.188 73 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 73 N C 1.940 177.449 175.510 -0.000 0.000 1.018 73 N CA 0.788 53.840 53.050 0.004 0.000 0.858 73 N CB -0.181 38.309 38.487 0.006 0.000 0.989 73 N HN 0.240 nan 8.380 nan 0.000 0.426 74 L N 0.614 121.835 121.223 -0.003 0.000 2.017 74 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 74 L C 2.425 179.284 176.870 -0.018 0.000 1.073 74 L CA 1.275 56.108 54.840 -0.011 0.000 0.745 74 L CB -0.511 41.541 42.059 -0.012 0.000 0.894 74 L HN 0.108 nan 8.230 nan 0.000 0.432 75 A N 0.065 122.876 122.820 -0.016 0.000 1.877 75 A HA -0.203 4.116 4.320 -0.000 0.000 0.216 75 A C 2.388 179.963 177.584 -0.015 0.000 1.186 75 A CA 1.503 53.529 52.037 -0.020 0.000 0.620 75 A CB -0.477 18.512 19.000 -0.019 0.000 0.822 75 A HN 0.316 nan 8.150 nan 0.000 0.443 76 R N -0.339 120.157 120.500 -0.006 0.000 2.080 76 R HA -0.133 4.207 4.340 -0.000 0.000 0.236 76 R C 1.677 177.977 176.300 0.000 0.000 1.137 76 R CA 1.604 57.705 56.100 0.003 0.000 0.943 76 R CB -0.558 29.755 30.300 0.020 0.000 0.846 76 R HN 0.472 nan 8.270 nan 0.000 0.431 77 D N 0.141 120.540 120.400 -0.002 0.000 2.144 77 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 77 D C 2.015 178.301 176.300 -0.023 0.000 0.978 77 D CA 1.074 55.070 54.000 -0.007 0.000 0.833 77 D CB -0.125 40.671 40.800 -0.006 0.000 0.961 77 D HN 0.191 nan 8.370 nan 0.000 0.470 78 R N 0.681 121.160 120.500 -0.035 0.000 2.092 78 R HA 0.022 4.362 4.340 -0.000 0.000 0.231 78 R C 2.286 178.540 176.300 -0.076 0.000 1.119 78 R CA 1.149 57.210 56.100 -0.064 0.000 0.970 78 R CB -0.218 30.037 30.300 -0.075 0.000 0.864 78 R HN 0.088 nan 8.270 nan 0.000 0.440 79 A N 1.645 124.447 122.820 -0.030 0.000 1.877 79 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 79 A C 1.906 179.528 177.584 0.064 0.000 1.186 79 A CA 1.403 53.464 52.037 0.040 0.000 0.620 79 A CB -0.272 18.767 19.000 0.065 0.000 0.822 79 A HN 0.190 nan 8.150 nan 0.000 0.443 80 K N -0.315 120.095 120.400 0.017 0.000 2.032 80 K HA -0.115 4.204 4.320 -0.000 0.000 0.209 80 K C 2.338 178.938 176.600 0.000 0.000 1.048 80 K CA 1.317 57.612 56.287 0.013 0.000 0.927 80 K CB -0.354 32.150 32.500 0.007 0.000 0.712 80 K HN 0.446 nan 8.250 nan 0.000 0.441 81 A N 1.285 124.085 122.820 -0.033 0.000 1.873 81 A HA -0.144 4.175 4.320 -0.000 0.000 0.215 81 A C 2.120 179.641 177.584 -0.105 0.000 1.186 81 A CA 1.131 53.135 52.037 -0.055 0.000 0.616 81 A CB -0.575 18.389 19.000 -0.059 0.000 0.823 81 A HN 0.242 nan 8.150 nan 0.000 0.442 82 L N -1.785 119.319 121.223 -0.198 0.000 2.042 82 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 82 L C 1.719 178.337 176.870 -0.420 0.000 1.076 82 L CA 2.020 56.627 54.840 -0.390 0.000 0.749 82 L CB -0.487 41.182 42.059 -0.650 0.000 0.893 82 L HN 0.343 nan 8.230 nan 0.000 0.432 83 F N -0.265 119.645 119.950 -0.066 0.000 2.721 83 F HA 0.408 4.935 4.527 -0.000 0.000 0.301 83 F C 1.777 177.543 175.800 -0.056 0.000 1.096 83 F CA 0.197 58.157 58.000 -0.066 0.000 1.308 83 F CB -0.444 38.496 39.000 -0.101 0.000 1.086 83 F HN 0.131 nan 8.300 nan 0.000 0.587 84 G N 1.160 110.007 108.800 0.079 0.000 2.221 84 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.265 84 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.265 84 G C 0.204 175.123 174.900 0.031 0.000 1.041 84 G CA 0.088 45.213 45.100 0.041 0.000 0.807 84 G HN 0.654 nan 8.290 nan 0.000 0.502 85 A N -0.909 121.928 122.820 0.030 0.000 2.295 85 A HA 0.810 5.130 4.320 -0.000 0.000 0.318 85 A C 1.023 178.607 177.584 0.000 0.000 1.134 85 A CA 0.340 52.369 52.037 -0.012 0.000 0.827 85 A CB 0.732 19.684 19.000 -0.079 0.000 1.136 85 A HN 0.360 nan 8.150 nan 0.000 0.493 86 E N -0.277 119.936 120.200 0.022 0.000 2.158 86 E HA 0.062 4.412 4.350 -0.000 0.000 0.191 86 E C -0.267 176.426 176.600 0.154 0.000 0.982 86 E CA 1.048 57.498 56.400 0.083 0.000 0.823 86 E CB 0.045 29.813 29.700 0.112 0.000 0.766 86 E HN 0.639 nan 8.360 nan 0.000 0.468 87 F N -0.975 118.983 119.950 0.012 0.000 2.645 87 F HA 0.709 5.235 4.527 -0.000 0.000 0.310 87 F C -1.750 174.054 175.800 0.006 0.000 1.102 87 F CA -1.293 56.712 58.000 0.009 0.000 0.952 87 F CB 1.249 40.256 39.000 0.011 0.000 1.326 87 F HN -0.232 nan 8.300 nan 0.000 0.456 88 A N 2.724 125.504 122.820 -0.066 0.000 2.515 88 A HA 0.653 4.973 4.320 -0.000 0.000 0.298 88 A C -2.010 175.632 177.584 0.098 0.000 1.059 88 A CA -0.798 51.125 52.037 -0.190 0.000 0.698 88 A CB 1.659 20.599 19.000 -0.099 0.000 1.289 88 A HN 0.914 nan 8.150 nan 0.000 0.404 89 N N 1.405 120.128 118.700 0.039 0.000 2.354 89 N HA 0.377 5.117 4.740 -0.000 0.000 0.287 89 N C -0.057 175.447 175.510 -0.010 0.000 1.016 89 N CA -0.049 53.046 53.050 0.076 0.000 0.871 89 N CB 2.089 40.660 38.487 0.139 0.000 1.299 89 N HN 0.860 nan 8.380 nan 0.000 0.482 90 V N 1.261 121.165 119.914 -0.016 0.000 3.376 90 V HA 0.246 4.366 4.120 -0.000 0.000 0.313 90 V C 1.221 177.286 176.094 -0.049 0.000 1.393 90 V CA 0.239 62.518 62.300 -0.036 0.000 1.125 90 V CB 0.005 31.811 31.823 -0.027 0.000 1.037 90 V HN 0.561 nan 8.190 nan 0.000 0.440 91 Q N 0.705 120.469 119.800 -0.060 0.000 2.389 91 Q HA 0.177 4.517 4.340 -0.000 0.000 0.204 91 Q C -1.577 174.332 176.000 -0.153 0.000 0.944 91 Q CA -0.389 55.354 55.803 -0.099 0.000 0.908 91 Q CB -0.875 27.795 28.738 -0.114 0.000 1.002 91 Q HN 0.552 nan 8.270 nan 0.000 0.493 92 P HA -0.112 nan 4.420 nan 0.000 0.262 92 P C -0.114 177.136 177.300 -0.083 0.000 1.182 92 P CA 0.601 63.612 63.100 -0.148 0.000 0.761 92 P CB 0.442 32.090 31.700 -0.086 0.000 0.795 93 H N 0.333 119.391 119.070 -0.021 0.000 2.524 93 H HA 0.041 4.597 4.556 -0.000 0.000 0.282 93 H C 0.967 176.292 175.328 -0.005 0.000 1.016 93 H CA 1.025 57.060 56.048 -0.023 0.000 1.270 93 H CB 0.094 29.847 29.762 -0.016 0.000 1.394 93 H HN 0.502 nan 8.280 nan 0.000 0.568 94 S N -2.751 113.019 115.700 0.117 0.000 2.636 94 S HA 0.378 4.848 4.470 -0.000 0.000 0.266 94 S C 1.259 175.906 174.600 0.077 0.000 1.147 94 S CA -0.375 57.895 58.200 0.117 0.000 0.815 94 S CB 1.031 64.305 63.200 0.123 0.000 1.119 94 S HN 0.091 nan 8.310 nan 0.000 0.470 95 G N 0.777 109.621 108.800 0.074 0.000 2.418 95 G HA2 0.099 4.059 3.960 -0.000 0.000 0.217 95 G HA3 0.099 4.059 3.960 -0.000 0.000 0.217 95 G C 1.526 176.450 174.900 0.040 0.000 1.158 95 G CA 1.183 46.273 45.100 -0.016 0.000 0.771 95 G HN 1.392 nan 8.290 nan 0.000 0.545 96 A N 0.084 122.975 122.820 0.117 0.000 1.902 96 A HA -0.083 4.237 4.320 -0.000 0.000 0.217 96 A C 2.392 180.113 177.584 0.228 0.000 1.181 96 A CA 2.170 54.356 52.037 0.248 0.000 0.623 96 A CB -0.372 18.809 19.000 0.302 0.000 0.818 96 A HN 0.336 nan 8.150 nan 0.000 0.443 97 Q N -0.380 119.491 119.800 0.118 0.000 2.167 97 Q HA 0.082 4.422 4.340 -0.000 0.000 0.202 97 Q C 2.291 178.278 176.000 -0.022 0.000 0.970 97 Q CA 1.581 57.397 55.803 0.022 0.000 0.855 97 Q CB -0.742 28.015 28.738 0.033 0.000 0.911 97 Q HN 0.644 nan 8.270 nan 0.000 0.438 98 A N 0.689 123.507 122.820 -0.003 0.000 1.877 98 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 98 A C 1.825 179.411 177.584 0.003 0.000 1.186 98 A CA 1.836 53.857 52.037 -0.027 0.000 0.620 98 A CB -0.808 18.161 19.000 -0.052 0.000 0.822 98 A HN 0.527 nan 8.150 nan 0.000 0.443 99 N N 0.004 118.749 118.700 0.074 0.000 2.120 99 N HA -0.072 4.668 4.740 -0.000 0.000 0.188 99 N C 1.975 177.582 175.510 0.162 0.000 1.024 99 N CA 0.941 54.086 53.050 0.158 0.000 0.852 99 N CB -0.257 38.405 38.487 0.292 0.000 1.003 99 N HN 0.505 nan 8.380 nan 0.000 0.424 100 A N 1.303 124.121 122.820 -0.005 0.000 1.908 100 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 100 A C 2.331 179.835 177.584 -0.134 0.000 1.181 100 A CA 1.798 53.592 52.037 -0.405 0.000 0.627 100 A CB -0.804 17.680 19.000 -0.860 0.000 0.818 100 A HN 0.364 nan 8.150 nan 0.000 0.445 101 A N -0.660 122.101 122.820 -0.099 0.000 1.898 101 A HA 0.040 4.360 4.320 -0.000 0.000 0.216 101 A C 2.223 179.806 177.584 -0.001 0.000 1.181 101 A CA 1.667 53.655 52.037 -0.081 0.000 0.620 101 A CB -0.932 18.005 19.000 -0.104 0.000 0.819 101 A HN 0.393 nan 8.150 nan 0.000 0.442 102 V N 0.417 120.336 119.914 0.007 0.000 2.332 102 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 102 V C 2.561 178.665 176.094 0.016 0.000 1.055 102 V CA 2.056 64.360 62.300 0.006 0.000 1.038 102 V CB -0.827 30.985 31.823 -0.019 0.000 0.651 102 V HN 0.571 nan 8.190 nan 0.000 0.450 103 L N -0.699 120.552 121.223 0.047 0.000 2.093 103 L HA -0.174 4.165 4.340 -0.000 0.000 0.208 103 L C 2.529 179.450 176.870 0.085 0.000 1.085 103 L CA 2.041 56.886 54.840 0.008 0.000 0.755 103 L CB -0.945 41.134 42.059 0.034 0.000 0.904 103 L HN 0.458 nan 8.230 nan 0.000 0.435 104 H N 0.327 119.423 119.070 0.044 0.000 2.353 104 H HA -0.208 4.348 4.556 -0.000 0.000 0.298 104 H C 2.220 177.557 175.328 0.015 0.000 1.103 104 H CA 1.701 57.775 56.048 0.043 0.000 1.293 104 H CB 0.228 29.989 29.762 -0.002 0.000 1.372 104 H HN 0.325 nan 8.280 nan 0.000 0.501 105 A N 0.266 123.216 122.820 0.218 0.000 1.929 105 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 105 A C 2.245 179.866 177.584 0.062 0.000 1.176 105 A CA 1.323 53.443 52.037 0.139 0.000 0.628 105 A CB -0.291 18.758 19.000 0.082 0.000 0.816 105 A HN 0.485 nan 8.150 nan 0.000 0.444 106 L N -1.301 119.926 121.223 0.008 0.000 2.590 106 L HA 0.310 4.650 4.340 -0.000 0.000 0.227 106 L C 0.825 177.666 176.870 -0.048 0.000 1.099 106 L CA 0.012 54.828 54.840 -0.039 0.000 0.872 106 L CB -0.114 41.881 42.059 -0.107 0.000 1.088 106 L HN 0.627 nan 8.230 nan 0.000 0.479 107 M N -3.100 116.468 119.600 -0.052 0.000 2.683 107 M HA 0.575 5.055 4.480 -0.000 0.000 0.274 107 M C -1.303 175.011 176.300 0.022 0.000 1.272 107 M CA -0.529 54.737 55.300 -0.056 0.000 0.833 107 M CB 2.322 34.820 32.600 -0.170 0.000 1.708 107 M HN -0.336 nan 8.290 nan 0.000 0.463 108 S N 0.626 116.369 115.700 0.072 0.000 2.568 108 S HA 0.747 5.217 4.470 -0.000 0.000 0.302 108 S C -2.738 172.004 174.600 0.236 0.000 1.082 108 S CA -1.157 57.110 58.200 0.112 0.000 1.009 108 S CB 1.744 64.967 63.200 0.038 0.000 1.069 108 S HN 0.513 nan 8.310 nan 0.000 0.500 109 P HA 0.209 nan 4.420 nan 0.000 0.264 109 P C 0.925 178.275 177.300 0.084 0.000 1.183 109 P CA 1.078 64.218 63.100 0.065 0.000 0.763 109 P CB 0.165 31.834 31.700 -0.051 0.000 0.807 110 G N 1.454 110.315 108.800 0.102 0.000 2.241 110 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.244 110 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.244 110 G C 0.164 175.125 174.900 0.101 0.000 0.998 110 G CA -0.251 44.899 45.100 0.083 0.000 0.621 110 G HN 0.552 nan 8.290 nan 0.000 0.519 111 E N 0.397 120.681 120.200 0.141 0.000 2.371 111 E HA 0.489 4.839 4.350 -0.000 0.000 0.257 111 E C 0.486 177.124 176.600 0.062 0.000 1.134 111 E CA -0.511 55.927 56.400 0.063 0.000 0.919 111 E CB 0.615 30.332 29.700 0.029 0.000 1.025 111 E HN 0.297 nan 8.360 nan 0.000 0.438 112 R N 1.022 121.491 120.500 -0.052 0.000 2.297 112 R HA 0.331 4.671 4.340 -0.000 0.000 0.308 112 R C -0.853 175.450 176.300 0.006 0.000 1.029 112 R CA -0.660 55.394 56.100 -0.077 0.000 0.929 112 R CB 0.575 30.564 30.300 -0.518 0.000 1.046 112 R HN 0.205 nan 8.270 nan 0.000 0.461 113 L N 4.357 125.666 121.223 0.144 0.000 2.356 113 L HA 0.442 4.782 4.340 -0.000 0.000 0.277 113 L C -1.656 175.293 176.870 0.132 0.000 0.996 113 L CA -0.857 54.026 54.840 0.072 0.000 0.822 113 L CB 1.686 43.739 42.059 -0.009 0.000 1.256 113 L HN 0.443 nan 8.230 nan 0.000 0.413 114 L N 5.040 126.338 121.223 0.125 0.000 2.305 114 L HA 0.980 5.320 4.340 -0.000 0.000 0.284 114 L C -0.185 176.729 176.870 0.073 0.000 1.013 114 L CA 0.233 55.122 54.840 0.081 0.000 0.819 114 L CB 1.262 43.477 42.059 0.260 0.000 1.227 114 L HN 0.710 nan 8.230 nan 0.000 0.417 115 G N 3.596 112.358 108.800 -0.063 0.000 2.708 115 G HA2 0.451 4.411 3.960 -0.000 0.000 0.289 115 G HA3 0.451 4.411 3.960 -0.000 0.000 0.289 115 G C -1.923 172.743 174.900 -0.390 0.000 1.416 115 G CA -0.961 44.096 45.100 -0.071 0.000 0.829 115 G HN 0.598 nan 8.290 nan 0.000 0.480 116 L N 1.573 122.489 121.223 -0.512 0.000 2.410 116 L HA 0.254 4.594 4.340 -0.000 0.000 0.273 116 L C 0.648 177.498 176.870 -0.034 0.000 1.144 116 L CA -0.625 53.906 54.840 -0.514 0.000 0.863 116 L CB 0.563 42.493 42.059 -0.216 0.000 1.140 116 L HN 0.558 nan 8.230 nan 0.000 0.463 117 D N 3.459 123.812 120.400 -0.079 0.000 2.583 117 D HA -0.160 4.480 4.640 -0.000 0.000 0.232 117 D C 1.174 177.383 176.300 -0.151 0.000 1.128 117 D CA 0.013 53.889 54.000 -0.207 0.000 0.859 117 D CB 0.860 41.545 40.800 -0.192 0.000 1.169 117 D HN 0.668 nan 8.370 nan 0.000 0.481 118 L N 5.423 126.516 121.223 -0.216 0.000 2.042 118 L HA -0.181 4.159 4.340 -0.000 0.000 0.210 118 L C 2.404 179.216 176.870 -0.098 0.000 1.076 118 L CA 2.409 57.169 54.840 -0.133 0.000 0.749 118 L CB -0.835 41.124 42.059 -0.167 0.000 0.893 118 L HN 0.644 nan 8.230 nan 0.000 0.432 119 A N -1.408 121.338 122.820 -0.124 0.000 2.070 119 A HA -0.172 4.148 4.320 -0.000 0.000 0.220 119 A C 1.855 179.416 177.584 -0.040 0.000 1.159 119 A CA 1.809 53.798 52.037 -0.080 0.000 0.656 119 A CB -0.687 18.257 19.000 -0.092 0.000 0.800 119 A HN 0.698 nan 8.150 nan 0.000 0.453 120 N N -1.641 117.037 118.700 -0.036 0.000 2.238 120 N HA 0.322 5.062 4.740 -0.000 0.000 0.222 120 N C 0.668 176.203 175.510 0.042 0.000 1.133 120 N CA 0.374 53.431 53.050 0.011 0.000 0.854 120 N CB 0.598 39.093 38.487 0.012 0.000 1.041 120 N HN 0.527 nan 8.380 nan 0.000 0.510 121 G N 0.168 108.993 108.800 0.041 0.000 2.192 121 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.193 121 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.193 121 G C 0.375 175.378 174.900 0.171 0.000 0.999 121 G CA -0.367 44.792 45.100 0.099 0.000 0.659 121 G HN 0.410 nan 8.290 nan 0.000 0.503 122 G N -0.864 108.015 108.800 0.131 0.000 2.599 122 G HA2 0.497 4.457 3.960 -0.000 0.000 0.264 122 G HA3 0.497 4.457 3.960 -0.000 0.000 0.264 122 G C -0.184 174.778 174.900 0.104 0.000 1.200 122 G CA -0.003 45.226 45.100 0.216 0.000 0.896 122 G HN 0.450 nan 8.290 nan 0.000 0.536 123 H N 0.398 119.348 119.070 -0.200 0.000 2.488 123 H HA 0.139 4.695 4.556 -0.000 0.000 0.347 123 H C 1.703 176.843 175.328 -0.313 0.000 1.174 123 H CA -0.533 55.294 56.048 -0.368 0.000 1.307 123 H CB 1.732 31.105 29.762 -0.648 0.000 1.517 123 H HN 0.288 nan 8.280 nan 0.000 0.554 124 L N 1.842 122.591 121.223 -0.791 0.000 2.187 124 L HA -0.092 4.248 4.340 -0.000 0.000 0.213 124 L C 1.901 178.592 176.870 -0.297 0.000 1.100 124 L CA 2.062 56.625 54.840 -0.462 0.000 0.765 124 L CB -1.361 40.429 42.059 -0.448 0.000 0.904 124 L HN 0.607 nan 8.230 nan 0.000 0.437 125 T N -4.450 109.997 114.554 -0.179 0.000 3.194 125 T HA 0.019 4.369 4.350 -0.000 0.000 0.251 125 T C 1.004 175.795 174.700 0.151 0.000 1.132 125 T CA 0.708 62.767 62.100 -0.068 0.000 1.028 125 T CB -1.065 67.898 68.868 0.158 0.000 0.976 125 T HN 0.668 nan 8.240 nan 0.000 0.535 126 H N 0.089 119.209 119.070 0.084 0.000 2.520 126 H HA 0.484 5.040 4.556 -0.000 0.000 0.284 126 H C 1.551 176.967 175.328 0.147 0.000 1.037 126 H CA -0.340 55.773 56.048 0.108 0.000 1.168 126 H CB 0.484 30.322 29.762 0.127 0.000 1.497 126 H HN 0.536 nan 8.280 nan 0.000 0.547 127 G N 0.628 109.567 108.800 0.232 0.000 2.834 127 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.217 127 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.217 127 G C 0.129 175.186 174.900 0.262 0.000 0.974 127 G CA -0.630 44.634 45.100 0.273 0.000 0.826 127 G HN 0.156 nan 8.290 nan 0.000 0.584 128 M N 1.854 121.507 119.600 0.088 0.000 2.248 128 M HA 0.439 4.919 4.480 -0.000 0.000 0.345 128 M C 1.861 178.166 176.300 0.009 0.000 1.243 128 M CA 0.920 56.225 55.300 0.008 0.000 1.090 128 M CB 0.790 33.338 32.600 -0.087 0.000 1.683 128 M HN 0.523 nan 8.290 nan 0.000 0.450 129 R N 5.170 125.680 120.500 0.017 0.000 2.127 129 R HA -0.092 4.247 4.340 -0.000 0.000 0.238 129 R C 1.611 177.912 176.300 0.002 0.000 1.134 129 R CA 2.122 58.236 56.100 0.024 0.000 0.975 129 R CB -1.358 28.953 30.300 0.018 0.000 0.865 129 R HN 0.863 nan 8.270 nan 0.000 0.447 130 L N 0.171 121.382 121.223 -0.019 0.000 2.477 130 L HA 0.107 4.447 4.340 -0.000 0.000 0.220 130 L C 1.169 178.023 176.870 -0.026 0.000 1.106 130 L CA -0.087 54.743 54.840 -0.017 0.000 0.851 130 L CB -0.161 41.887 42.059 -0.018 0.000 0.994 130 L HN 0.498 nan 8.230 nan 0.000 0.462 131 N N 0.641 119.297 118.700 -0.072 0.000 2.467 131 N HA -0.047 4.693 4.740 -0.000 0.000 0.262 131 N C 1.257 176.694 175.510 -0.121 0.000 1.234 131 N CA -0.326 52.633 53.050 -0.153 0.000 0.952 131 N CB 1.411 39.710 38.487 -0.314 0.000 1.158 131 N HN 0.040 nan 8.380 nan 0.000 0.463 132 F N 1.475 121.456 119.950 0.052 0.000 2.147 132 F HA -0.225 4.302 4.527 0.000 0.000 0.301 132 F C 2.453 178.288 175.800 0.059 0.000 1.084 132 F CA 1.371 59.393 58.000 0.036 0.000 1.268 132 F CB -1.257 37.781 39.000 0.062 0.000 1.009 132 F HN 0.447 nan 8.300 nan 0.000 0.486 133 S N 0.054 115.659 115.700 -0.159 0.000 2.419 133 S HA 0.021 4.491 4.470 -0.000 0.000 0.233 133 S C 2.150 176.867 174.600 0.195 0.000 1.016 133 S CA 0.803 59.105 58.200 0.170 0.000 0.974 133 S CB -1.275 61.922 63.200 -0.006 0.000 0.786 133 S HN 0.592 nan 8.310 nan 0.000 0.492 134 G N 1.266 110.105 108.800 0.065 0.000 2.510 134 G HA2 0.099 4.059 3.960 -0.000 0.000 0.212 134 G HA3 0.099 4.059 3.960 -0.000 0.000 0.212 134 G C 1.574 176.498 174.900 0.040 0.000 1.151 134 G CA -0.093 45.056 45.100 0.082 0.000 0.817 134 G HN 0.321 nan 8.290 nan 0.000 0.534 135 K N 0.369 120.771 120.400 0.004 0.000 2.097 135 K HA 0.144 4.464 4.320 -0.000 0.000 0.205 135 K C 2.316 178.861 176.600 -0.093 0.000 1.050 135 K CA 0.597 56.871 56.287 -0.021 0.000 0.938 135 K CB -0.291 32.209 32.500 -0.001 0.000 0.718 135 K HN 0.321 nan 8.250 nan 0.000 0.442 136 L N -0.639 120.439 121.223 -0.241 0.000 2.307 136 L HA 0.034 4.374 4.340 -0.000 0.000 0.211 136 L C 0.258 176.807 176.870 -0.535 0.000 1.099 136 L CA 0.293 54.823 54.840 -0.517 0.000 0.816 136 L CB 0.012 41.513 42.059 -0.931 0.000 0.952 136 L HN -0.012 nan 8.230 nan 0.000 0.455 137 Y N -0.802 119.542 120.300 0.074 0.000 2.562 137 Y HA 0.399 4.949 4.550 -0.000 0.000 0.343 137 Y C -0.012 175.926 175.900 0.064 0.000 1.025 137 Y CA -1.906 56.231 58.100 0.063 0.000 1.082 137 Y CB 0.991 39.493 38.460 0.070 0.000 1.264 137 Y HN -0.168 nan 8.280 nan 0.000 0.478 138 E N 1.329 121.669 120.200 0.232 0.000 2.130 138 E HA 0.292 4.642 4.350 -0.000 0.000 0.284 138 E C -1.401 175.346 176.600 0.244 0.000 1.018 138 E CA -0.390 56.126 56.400 0.192 0.000 0.817 138 E CB 0.185 29.981 29.700 0.160 0.000 1.078 138 E HN 0.661 nan 8.360 nan 0.000 0.396 139 N N 2.315 121.101 118.700 0.142 0.000 2.456 139 N HA 0.522 5.262 4.740 -0.000 0.000 0.288 139 N C -0.580 174.730 175.510 -0.333 0.000 1.059 139 N CA -0.490 52.502 53.050 -0.097 0.000 0.946 139 N CB 1.965 40.351 38.487 -0.168 0.000 1.150 139 N HN 0.467 nan 8.380 nan 0.000 0.479 140 G N 0.643 108.983 108.800 -0.767 0.000 2.533 140 G HA2 0.742 4.702 3.960 -0.000 0.000 0.304 140 G HA3 0.742 4.702 3.960 -0.000 0.000 0.304 140 G C -1.501 172.774 174.900 -1.042 0.000 1.263 140 G CA -0.430 43.980 45.100 -1.152 0.000 0.964 140 G HN 0.371 nan 8.290 nan 0.000 0.479 141 F N -0.304 119.487 119.950 -0.266 0.000 2.576 141 F HA 0.557 5.084 4.527 -0.000 0.000 0.313 141 F C -0.232 175.531 175.800 -0.061 0.000 1.078 141 F CA -0.896 57.007 58.000 -0.162 0.000 0.921 141 F CB 2.184 41.091 39.000 -0.154 0.000 1.232 141 F HN 0.665 nan 8.300 nan 0.000 0.459 142 Y N -0.192 120.200 120.300 0.154 0.000 2.602 142 Y HA 1.015 5.565 4.550 -0.000 0.000 0.330 142 Y C -0.031 175.930 175.900 0.101 0.000 1.114 142 Y CA -1.310 56.846 58.100 0.095 0.000 1.182 142 Y CB 1.175 39.678 38.460 0.071 0.000 1.305 142 Y HN 0.721 nan 8.280 nan 0.000 0.502 143 G N -0.164 108.768 108.800 0.221 0.000 3.021 143 G HA2 0.570 4.530 3.960 -0.000 0.000 0.290 143 G HA3 0.570 4.530 3.960 -0.000 0.000 0.290 143 G C -1.320 173.668 174.900 0.147 0.000 1.291 143 G CA -0.501 44.665 45.100 0.109 0.000 0.834 143 G HN 1.177 nan 8.290 nan 0.000 0.564 144 V N -1.827 118.143 119.914 0.093 0.000 2.850 144 V HA 0.596 4.716 4.120 -0.000 0.000 0.315 144 V C -0.186 175.926 176.094 0.030 0.000 1.064 144 V CA -1.018 61.337 62.300 0.092 0.000 0.979 144 V CB 1.839 33.750 31.823 0.147 0.000 1.039 144 V HN 0.677 nan 8.190 nan 0.000 0.452 145 D N 4.232 124.633 120.400 0.002 0.000 2.450 145 D HA 0.146 4.785 4.640 -0.000 0.000 0.247 145 D C -1.506 174.701 176.300 -0.155 0.000 1.162 145 D CA -1.151 52.815 54.000 -0.057 0.000 0.879 145 D CB 2.007 42.775 40.800 -0.054 0.000 1.163 145 D HN 0.490 nan 8.370 nan 0.000 0.472 146 P HA -0.093 nan 4.420 nan 0.000 0.222 146 P C 0.717 177.775 177.300 -0.403 0.000 1.147 146 P CA 0.769 63.719 63.100 -0.250 0.000 0.790 146 P CB 0.249 31.876 31.700 -0.121 0.000 0.780 147 A N 0.085 122.741 122.820 -0.273 0.000 1.911 147 A HA -0.031 4.289 4.320 -0.000 0.000 0.212 147 A C 2.195 179.652 177.584 -0.213 0.000 1.189 147 A CA 1.958 53.870 52.037 -0.210 0.000 0.639 147 A CB -1.411 17.525 19.000 -0.106 0.000 0.839 147 A HN 0.330 nan 8.150 nan 0.000 0.449 148 T N -5.217 109.228 114.554 -0.181 0.000 3.051 148 T HA 0.115 4.465 4.350 -0.000 0.000 0.255 148 T C 0.679 175.382 174.700 0.006 0.000 1.085 148 T CA 1.046 63.106 62.100 -0.067 0.000 1.109 148 T CB -0.448 68.397 68.868 -0.038 0.000 0.921 148 T HN 0.628 nan 8.240 nan 0.000 0.488 149 H N 0.427 119.493 119.070 -0.005 0.000 2.958 149 H HA -0.093 4.463 4.556 -0.000 0.000 0.274 149 H C -0.500 174.863 175.328 0.059 0.000 1.184 149 H CA 0.664 56.717 56.048 0.008 0.000 1.143 149 H CB -2.361 27.381 29.762 -0.033 0.000 1.297 149 H HN 0.448 nan 8.280 nan 0.000 0.356 150 L N 0.402 121.704 121.223 0.132 0.000 2.334 150 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 150 L C 0.815 177.790 176.870 0.175 0.000 1.020 150 L CA -1.023 53.938 54.840 0.201 0.000 0.812 150 L CB 1.436 43.550 42.059 0.092 0.000 1.264 150 L HN 0.056 nan 8.230 nan 0.000 0.439 151 I N 1.659 122.343 120.570 0.191 0.000 2.598 151 I HA -0.034 4.136 4.170 -0.000 0.000 0.284 151 I C 0.050 176.162 176.117 -0.008 0.000 1.140 151 I CA 0.334 61.664 61.300 0.050 0.000 1.420 151 I CB 0.347 38.330 38.000 -0.028 0.000 1.387 151 I HN 0.525 nan 8.210 nan 0.000 0.553 152 D N 7.919 128.299 120.400 -0.034 0.000 2.396 152 D HA 0.154 4.793 4.640 -0.000 0.000 0.225 152 D C 0.781 176.999 176.300 -0.137 0.000 1.121 152 D CA -0.437 53.521 54.000 -0.069 0.000 0.853 152 D CB 1.053 41.825 40.800 -0.046 0.000 1.043 152 D HN 0.340 nan 8.370 nan 0.000 0.500 153 M N 2.104 121.593 119.600 -0.184 0.000 2.374 153 M HA -0.083 4.397 4.480 -0.000 0.000 0.264 153 M C 0.852 177.027 176.300 -0.209 0.000 1.067 153 M CA 0.763 55.896 55.300 -0.278 0.000 1.103 153 M CB -0.390 32.020 32.600 -0.316 0.000 1.402 153 M HN 0.386 nan 8.290 nan 0.000 0.444 154 D N 0.834 121.152 120.400 -0.136 0.000 2.144 154 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 154 D C 2.021 178.268 176.300 -0.088 0.000 0.978 154 D CA 1.489 55.429 54.000 -0.100 0.000 0.833 154 D CB -0.113 40.645 40.800 -0.070 0.000 0.961 154 D HN 0.331 nan 8.370 nan 0.000 0.470 155 A N 0.934 123.704 122.820 -0.083 0.000 1.898 155 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 155 A C 2.565 180.108 177.584 -0.069 0.000 1.181 155 A CA 1.030 53.034 52.037 -0.056 0.000 0.620 155 A CB -0.735 18.246 19.000 -0.032 0.000 0.819 155 A HN 0.128 nan 8.150 nan 0.000 0.442 156 V N 0.206 120.032 119.914 -0.148 0.000 2.332 156 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 156 V C 2.635 178.635 176.094 -0.157 0.000 1.055 156 V CA 2.372 64.537 62.300 -0.225 0.000 1.038 156 V CB -0.884 30.620 31.823 -0.532 0.000 0.651 156 V HN 0.678 nan 8.190 nan 0.000 0.450 157 R N 0.336 120.742 120.500 -0.156 0.000 2.083 157 R HA -0.190 4.150 4.340 -0.000 0.000 0.237 157 R C 2.306 178.580 176.300 -0.042 0.000 1.137 157 R CA 1.842 57.882 56.100 -0.099 0.000 0.951 157 R CB -0.504 29.735 30.300 -0.101 0.000 0.851 157 R HN 0.481 nan 8.270 nan 0.000 0.434 158 A N -0.235 122.565 122.820 -0.034 0.000 1.933 158 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 158 A C 2.171 179.768 177.584 0.021 0.000 1.175 158 A CA 1.969 54.002 52.037 -0.006 0.000 0.628 158 A CB -0.799 18.197 19.000 -0.008 0.000 0.814 158 A HN 0.476 nan 8.150 nan 0.000 0.444 159 T N 0.239 114.808 114.554 0.026 0.000 2.708 159 T HA -0.004 4.345 4.350 -0.000 0.000 0.266 159 T C 2.251 177.021 174.700 0.115 0.000 1.037 159 T CA 1.547 63.685 62.100 0.064 0.000 1.146 159 T CB -0.448 68.459 68.868 0.065 0.000 0.865 159 T HN 0.593 nan 8.240 nan 0.000 0.435 160 A N 1.284 124.158 122.820 0.091 0.000 1.908 160 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 160 A C 2.277 179.917 177.584 0.093 0.000 1.181 160 A CA 1.256 53.364 52.037 0.118 0.000 0.627 160 A CB -0.885 18.153 19.000 0.064 0.000 0.818 160 A HN 0.488 nan 8.150 nan 0.000 0.445 161 L N -0.879 120.377 121.223 0.055 0.000 2.131 161 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 161 L C 2.607 179.509 176.870 0.054 0.000 1.092 161 L CA 1.619 56.483 54.840 0.039 0.000 0.759 161 L CB -0.378 41.693 42.059 0.021 0.000 0.903 161 L HN 0.510 nan 8.230 nan 0.000 0.435 162 E N 0.329 120.579 120.200 0.083 0.000 2.033 162 E HA -0.228 4.122 4.350 -0.000 0.000 0.189 162 E C 1.944 178.635 176.600 0.151 0.000 0.979 162 E CA 1.412 57.872 56.400 0.101 0.000 0.802 162 E CB -0.265 29.496 29.700 0.101 0.000 0.763 162 E HN 0.315 nan 8.360 nan 0.000 0.449 163 F N 1.231 121.189 119.950 0.013 0.000 2.335 163 F HA 0.239 4.766 4.527 -0.000 0.000 0.296 163 F C 0.162 175.966 175.800 0.007 0.000 1.091 163 F CA 0.634 58.641 58.000 0.012 0.000 1.399 163 F CB 0.396 39.405 39.000 0.015 0.000 1.067 163 F HN -0.107 nan 8.300 nan 0.000 0.520 164 R N 0.347 120.814 120.500 -0.055 0.000 3.152 164 R HA -0.135 4.205 4.340 -0.000 0.000 0.252 164 R C -2.642 173.497 176.300 -0.269 0.000 0.930 164 R CA 0.551 56.571 56.100 -0.134 0.000 0.642 164 R CB -2.913 27.313 30.300 -0.123 0.000 1.205 164 R HN 0.258 nan 8.270 nan 0.000 0.452 165 P HA 0.064 nan 4.420 nan 0.000 0.274 165 P C 0.541 177.783 177.300 -0.096 0.000 1.231 165 P CA -0.251 62.752 63.100 -0.161 0.000 0.790 165 P CB 0.892 32.650 31.700 0.098 0.000 0.951 166 K N 1.116 121.456 120.400 -0.100 0.000 2.186 166 K HA 0.089 4.409 4.320 -0.000 0.000 0.202 166 K C 0.002 176.569 176.600 -0.055 0.000 1.052 166 K CA 0.859 57.104 56.287 -0.071 0.000 0.965 166 K CB 0.209 32.661 32.500 -0.079 0.000 0.746 166 K HN 0.268 nan 8.250 nan 0.000 0.457 167 V N 1.982 121.865 119.914 -0.053 0.000 2.638 167 V HA 0.363 4.483 4.120 -0.000 0.000 0.306 167 V C -0.774 175.321 176.094 0.003 0.000 1.052 167 V CA -0.838 61.432 62.300 -0.050 0.000 0.885 167 V CB 1.885 33.644 31.823 -0.106 0.000 0.999 167 V HN 0.069 nan 8.190 nan 0.000 0.424 168 I N 5.321 125.907 120.570 0.028 0.000 2.354 168 I HA 0.496 4.666 4.170 -0.000 0.000 0.292 168 I C -0.536 175.592 176.117 0.019 0.000 0.989 168 I CA -0.440 60.911 61.300 0.085 0.000 1.188 168 I CB 1.694 39.788 38.000 0.157 0.000 1.342 168 I HN 0.425 nan 8.210 nan 0.000 0.457 169 I N 5.672 126.246 120.570 0.008 0.000 2.331 169 I HA 0.484 4.653 4.170 -0.000 0.000 0.292 169 I C 0.316 176.356 176.117 -0.128 0.000 0.998 169 I CA -0.345 60.881 61.300 -0.122 0.000 1.267 169 I CB 1.515 39.354 38.000 -0.269 0.000 1.386 169 I HN 0.591 nan 8.210 nan 0.000 0.476 170 A N 5.040 127.674 122.820 -0.310 0.000 2.304 170 A HA 0.938 5.258 4.320 -0.000 0.000 0.323 170 A C 0.134 177.644 177.584 -0.124 0.000 1.195 170 A CA -0.194 51.574 52.037 -0.448 0.000 0.826 170 A CB 1.003 19.336 19.000 -1.112 0.000 1.184 170 A HN 0.986 nan 8.150 nan 0.000 0.496 171 G N 0.892 109.731 108.800 0.065 0.000 2.353 171 G HA2 0.456 4.416 3.960 -0.000 0.000 0.308 171 G HA3 0.456 4.416 3.960 -0.000 0.000 0.308 171 G C -1.165 173.954 174.900 0.365 0.000 1.418 171 G CA -0.190 45.003 45.100 0.154 0.000 0.966 171 G HN 1.917 nan 8.290 nan 0.000 0.638 172 W N -1.074 120.438 121.300 0.354 0.000 3.161 172 W HA 0.566 5.226 4.660 0.000 0.000 0.314 172 W C 0.330 176.987 176.519 0.231 0.000 1.245 172 W CA -0.421 57.094 57.345 0.282 0.000 1.191 172 W CB 0.714 30.302 29.460 0.213 0.000 1.392 172 W HN 1.182 nan 8.180 nan 0.000 0.568 173 S N 0.257 116.262 115.700 0.508 0.000 2.514 173 S HA 0.482 4.952 4.470 -0.000 0.000 0.223 173 S C 0.510 175.215 174.600 0.174 0.000 1.046 173 S CA 0.605 58.975 58.200 0.285 0.000 0.914 173 S CB 0.680 64.055 63.200 0.291 0.000 0.807 173 S HN 1.064 nan 8.310 nan 0.000 0.497 174 A N 0.689 123.674 122.820 0.275 0.000 2.876 174 A HA 0.670 4.990 4.320 -0.000 0.000 0.309 174 A C -1.390 176.149 177.584 -0.076 0.000 1.168 174 A CA -0.394 51.670 52.037 0.045 0.000 0.762 174 A CB 0.420 19.428 19.000 0.013 0.000 1.262 174 A HN 0.400 nan 8.150 nan 0.000 0.435 175 Y N 3.733 123.614 120.300 -0.699 0.000 2.479 175 Y HA 0.641 5.191 4.550 -0.000 0.000 0.338 175 Y C -2.567 172.705 175.900 -1.046 0.000 1.055 175 Y CA -1.818 55.747 58.100 -0.893 0.000 1.023 175 Y CB 2.911 40.706 38.460 -1.108 0.000 1.287 175 Y HN 0.342 nan 8.280 nan 0.000 0.447 176 P HA 0.249 nan 4.420 nan 0.000 0.268 176 P C -0.373 176.534 177.300 -0.656 0.000 1.329 176 P CA 0.478 63.138 63.100 -0.732 0.000 0.899 176 P CB 0.765 32.159 31.700 -0.510 0.000 1.378 177 R N -0.944 119.010 120.500 -0.909 0.000 2.987 177 R HA 0.528 4.868 4.340 -0.000 0.000 0.248 177 R C -0.786 175.434 176.300 -0.134 0.000 1.264 177 R CA -1.125 54.687 56.100 -0.480 0.000 1.026 177 R CB 0.657 30.670 30.300 -0.478 0.000 1.286 177 R HN -0.262 nan 8.270 nan 0.000 0.483 178 V N 2.718 122.593 119.914 -0.065 0.000 2.406 178 V HA 0.274 4.394 4.120 -0.000 0.000 0.272 178 V C 0.650 176.718 176.094 -0.044 0.000 1.043 178 V CA -0.554 61.690 62.300 -0.093 0.000 0.915 178 V CB 0.877 32.518 31.823 -0.304 0.000 0.988 178 V HN 0.394 nan 8.190 nan 0.000 0.466 179 L N 3.738 124.919 121.223 -0.070 0.000 2.461 179 L HA 0.215 4.555 4.340 -0.000 0.000 0.272 179 L C 0.643 177.213 176.870 -0.499 0.000 1.197 179 L CA 0.044 54.751 54.840 -0.222 0.000 0.836 179 L CB 0.264 42.147 42.059 -0.295 0.000 1.105 179 L HN 0.583 nan 8.230 nan 0.000 0.477 180 D N 1.636 121.889 120.400 -0.245 0.000 2.500 180 D HA 0.124 4.764 4.640 -0.000 0.000 0.219 180 D C 0.663 176.920 176.300 -0.072 0.000 1.137 180 D CA -0.200 53.678 54.000 -0.204 0.000 0.946 180 D CB 0.430 41.148 40.800 -0.137 0.000 1.022 180 D HN 0.229 nan 8.370 nan 0.000 0.518 181 F N 2.028 122.007 119.950 0.049 0.000 2.234 181 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 181 F C 2.506 178.200 175.800 -0.177 0.000 1.087 181 F CA 0.759 58.761 58.000 0.003 0.000 1.340 181 F CB -0.785 38.185 39.000 -0.050 0.000 1.031 181 F HN 0.455 nan 8.300 nan 0.000 0.500 182 A N 0.191 122.852 122.820 -0.265 0.000 1.933 182 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 182 A C 2.461 180.046 177.584 0.001 0.000 1.175 182 A CA 1.679 53.622 52.037 -0.157 0.000 0.628 182 A CB -1.230 17.708 19.000 -0.104 0.000 0.814 182 A HN 0.293 nan 8.150 nan 0.000 0.444 183 A N -1.102 121.695 122.820 -0.037 0.000 1.902 183 A HA -0.008 4.312 4.320 -0.000 0.000 0.217 183 A C 1.937 179.469 177.584 -0.087 0.000 1.181 183 A CA 1.485 53.468 52.037 -0.091 0.000 0.623 183 A CB -0.759 18.126 19.000 -0.192 0.000 0.818 183 A HN 0.447 nan 8.150 nan 0.000 0.443 184 F N -0.147 119.787 119.950 -0.025 0.000 2.126 184 F HA -0.177 4.350 4.527 -0.000 0.000 0.299 184 F C 2.447 178.266 175.800 0.031 0.000 1.096 184 F CA 1.970 59.971 58.000 0.000 0.000 1.255 184 F CB -0.319 38.718 39.000 0.060 0.000 0.997 184 F HN 0.217 nan 8.300 nan 0.000 0.479 185 R N 0.073 120.719 120.500 0.243 0.000 2.073 185 R HA -0.155 4.185 4.340 -0.000 0.000 0.234 185 R C 2.426 178.796 176.300 0.116 0.000 1.134 185 R CA 1.852 58.062 56.100 0.183 0.000 0.952 185 R CB -1.040 29.393 30.300 0.221 0.000 0.850 185 R HN 0.141 nan 8.270 nan 0.000 0.433 186 S N -0.480 115.268 115.700 0.081 0.000 2.370 186 S HA -0.070 4.400 4.470 -0.000 0.000 0.226 186 S C 1.857 176.472 174.600 0.025 0.000 1.033 186 S CA 1.518 59.743 58.200 0.043 0.000 1.011 186 S CB -0.256 62.953 63.200 0.016 0.000 0.852 186 S HN 0.411 nan 8.310 nan 0.000 0.457 187 I N 1.322 121.896 120.570 0.007 0.000 2.252 187 I HA -0.120 4.050 4.170 -0.000 0.000 0.245 187 I C 2.769 178.905 176.117 0.032 0.000 1.102 187 I CA 1.027 62.323 61.300 -0.007 0.000 1.385 187 I CB -0.547 37.414 38.000 -0.066 0.000 1.064 187 I HN 0.344 nan 8.210 nan 0.000 0.414 188 A N 0.631 123.493 122.820 0.069 0.000 1.908 188 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 188 A C 1.958 179.574 177.584 0.053 0.000 1.181 188 A CA 2.142 54.221 52.037 0.072 0.000 0.627 188 A CB -0.627 18.429 19.000 0.093 0.000 0.818 188 A HN 0.339 nan 8.150 nan 0.000 0.445 189 D N -0.248 120.186 120.400 0.056 0.000 2.123 189 D HA -0.140 4.500 4.640 -0.000 0.000 0.196 189 D C 1.934 178.253 176.300 0.032 0.000 0.992 189 D CA 1.407 55.435 54.000 0.047 0.000 0.833 189 D CB -0.431 40.400 40.800 0.051 0.000 0.954 189 D HN 0.632 nan 8.370 nan 0.000 0.455 190 E N -0.007 120.209 120.200 0.025 0.000 2.085 190 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 190 E C 2.034 178.642 176.600 0.013 0.000 0.994 190 E CA 1.293 57.702 56.400 0.015 0.000 0.801 190 E CB 0.137 29.841 29.700 0.008 0.000 0.743 190 E HN 0.302 nan 8.360 nan 0.000 0.453 191 V N -3.390 116.533 119.914 0.016 0.000 3.621 191 V HA 0.403 4.523 4.120 -0.000 0.000 0.285 191 V C 1.106 177.204 176.094 0.007 0.000 1.346 191 V CA 0.411 62.717 62.300 0.010 0.000 1.104 191 V CB 0.099 31.930 31.823 0.013 0.000 0.913 191 V HN 0.259 nan 8.190 nan 0.000 0.432 192 G N 0.383 109.192 108.800 0.016 0.000 2.198 192 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.257 192 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.257 192 G C 0.250 175.159 174.900 0.014 0.000 1.042 192 G CA 0.395 45.505 45.100 0.017 0.000 0.791 192 G HN 1.634 nan 8.290 nan 0.000 0.502 193 A N -0.331 122.500 122.820 0.019 0.000 2.293 193 A HA 0.766 5.086 4.320 -0.000 0.000 0.302 193 A C 0.556 178.150 177.584 0.018 0.000 1.119 193 A CA -0.533 51.512 52.037 0.013 0.000 0.823 193 A CB 0.815 19.828 19.000 0.023 0.000 1.097 193 A HN 0.229 nan 8.150 nan 0.000 0.491 194 K N 0.548 120.942 120.400 -0.009 0.000 2.185 194 K HA 0.345 4.665 4.320 -0.000 0.000 0.271 194 K C -1.008 175.570 176.600 -0.036 0.000 1.013 194 K CA -0.422 55.841 56.287 -0.039 0.000 0.943 194 K CB 1.202 33.631 32.500 -0.117 0.000 0.998 194 K HN 0.472 nan 8.250 nan 0.000 0.468 195 L N 3.821 125.023 121.223 -0.035 0.000 2.280 195 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 195 L C -1.201 175.614 176.870 -0.091 0.000 1.023 195 L CA -0.817 54.007 54.840 -0.027 0.000 0.819 195 L CB 0.865 42.945 42.059 0.036 0.000 1.212 195 L HN 0.446 nan 8.230 nan 0.000 0.420 196 L N 6.687 127.843 121.223 -0.111 0.000 2.272 196 L HA 0.579 4.918 4.340 -0.000 0.000 0.289 196 L C -0.948 175.824 176.870 -0.163 0.000 1.032 196 L CA -0.108 54.648 54.840 -0.141 0.000 0.810 196 L CB 1.518 43.499 42.059 -0.130 0.000 1.205 196 L HN 0.386 nan 8.230 nan 0.000 0.422 197 V N 4.605 124.408 119.914 -0.186 0.000 2.370 197 V HA 0.314 4.434 4.120 -0.000 0.000 0.279 197 V C -0.441 175.519 176.094 -0.224 0.000 1.029 197 V CA -0.595 61.586 62.300 -0.199 0.000 0.870 197 V CB 1.313 32.977 31.823 -0.265 0.000 0.984 197 V HN 0.736 nan 8.190 nan 0.000 0.451 198 D N 5.754 126.039 120.400 -0.193 0.000 2.467 198 D HA 0.270 4.910 4.640 -0.000 0.000 0.220 198 D C 0.719 176.807 176.300 -0.354 0.000 1.103 198 D CA -0.489 53.385 54.000 -0.211 0.000 0.886 198 D CB 1.181 41.952 40.800 -0.049 0.000 1.025 198 D HN 0.608 nan 8.370 nan 0.000 0.514 199 M N 1.765 121.004 119.600 -0.601 0.000 2.493 199 M HA 0.374 4.854 4.480 -0.000 0.000 0.244 199 M C 1.405 177.067 176.300 -1.064 0.000 1.182 199 M CA -0.387 54.163 55.300 -1.249 0.000 0.981 199 M CB 0.676 32.525 32.600 -1.252 0.000 1.551 199 M HN 0.138 nan 8.290 nan 0.000 0.476 200 A N 1.415 123.850 122.820 -0.642 0.000 1.909 200 A HA -0.263 4.057 4.320 -0.000 0.000 0.221 200 A C 2.126 179.398 177.584 -0.519 0.000 1.223 200 A CA 2.318 54.045 52.037 -0.517 0.000 0.658 200 A CB -1.471 17.290 19.000 -0.400 0.000 0.831 200 A HN 0.756 nan 8.150 nan 0.000 0.462 201 H N -1.507 117.262 119.070 -0.502 0.000 2.353 201 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 201 H C 1.646 176.793 175.328 -0.301 0.000 1.090 201 H CA 2.035 57.911 56.048 -0.287 0.000 1.327 201 H CB -0.187 29.498 29.762 -0.127 0.000 1.383 201 H HN 0.756 nan 8.280 nan 0.000 0.508 202 F N -1.988 117.784 119.950 -0.297 0.000 2.639 202 F HA 0.549 5.076 4.527 -0.000 0.000 0.302 202 F C 2.000 177.691 175.800 -0.183 0.000 1.097 202 F CA 0.117 57.980 58.000 -0.229 0.000 1.294 202 F CB -0.190 38.671 39.000 -0.232 0.000 1.027 202 F HN -0.073 nan 8.300 nan 0.000 0.550 203 A N 1.522 124.131 122.820 -0.352 0.000 1.933 203 A HA 0.029 4.348 4.320 -0.000 0.000 0.218 203 A C 2.428 180.079 177.584 0.112 0.000 1.175 203 A CA 1.746 53.666 52.037 -0.195 0.000 0.628 203 A CB -1.496 17.337 19.000 -0.278 0.000 0.814 203 A HN 0.530 nan 8.150 nan 0.000 0.444 204 G N -0.264 108.600 108.800 0.107 0.000 2.422 204 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 204 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 204 G C 1.504 176.562 174.900 0.263 0.000 1.140 204 G CA 0.929 46.200 45.100 0.286 0.000 0.775 204 G HN 0.453 nan 8.290 nan 0.000 0.545 205 L N 0.284 121.616 121.223 0.183 0.000 2.056 205 L HA -0.070 4.270 4.340 -0.000 0.000 0.207 205 L C 2.936 179.981 176.870 0.292 0.000 1.078 205 L CA 0.433 55.411 54.840 0.230 0.000 0.749 205 L CB -0.700 41.531 42.059 0.287 0.000 0.901 205 L HN 0.059 nan 8.230 nan 0.000 0.433 206 V N 0.454 120.558 119.914 0.316 0.000 2.295 206 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 206 V C 2.848 179.120 176.094 0.297 0.000 1.049 206 V CA 1.891 64.397 62.300 0.344 0.000 1.024 206 V CB -0.954 31.070 31.823 0.334 0.000 0.648 206 V HN 0.484 nan 8.190 nan 0.000 0.447 207 A N -0.002 122.993 122.820 0.291 0.000 1.908 207 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 207 A C 2.233 179.884 177.584 0.111 0.000 1.181 207 A CA 2.060 54.140 52.037 0.073 0.000 0.627 207 A CB -0.662 18.315 19.000 -0.038 0.000 0.818 207 A HN 0.629 nan 8.150 nan 0.000 0.445 208 A N -1.880 121.085 122.820 0.242 0.000 2.238 208 A HA 0.412 4.732 4.320 -0.000 0.000 0.208 208 A C 1.770 179.444 177.584 0.151 0.000 1.177 208 A CA 1.164 53.330 52.037 0.215 0.000 0.804 208 A CB -1.014 18.122 19.000 0.226 0.000 0.823 208 A HN 1.935 nan 8.150 nan 0.000 0.482 209 G N -1.081 107.813 108.800 0.157 0.000 2.143 209 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.248 209 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.248 209 G C 0.525 175.517 174.900 0.152 0.000 0.991 209 G CA 0.551 45.739 45.100 0.146 0.000 0.689 209 G HN 0.576 nan 8.290 nan 0.000 0.522 210 L N -0.200 121.132 121.223 0.180 0.000 2.640 210 L HA 0.392 4.732 4.340 -0.000 0.000 0.230 210 L C 0.828 177.835 176.870 0.229 0.000 1.123 210 L CA -0.230 54.711 54.840 0.168 0.000 0.900 210 L CB 0.266 42.408 42.059 0.138 0.000 1.146 210 L HN 0.389 nan 8.230 nan 0.000 0.484 211 H N 0.553 119.732 119.070 0.182 0.000 2.865 211 H HA 0.370 4.925 4.556 -0.000 0.000 0.362 211 H C -2.737 172.738 175.328 0.245 0.000 1.114 211 H CA -1.767 54.407 56.048 0.209 0.000 1.208 211 H CB 2.727 32.658 29.762 0.282 0.000 1.727 211 H HN -0.230 nan 8.280 nan 0.000 0.534 212 P HA -0.019 nan 4.420 nan 0.000 0.267 212 P C -0.424 177.235 177.300 0.598 0.000 1.200 212 P CA 0.069 63.384 63.100 0.359 0.000 0.772 212 P CB 0.595 32.437 31.700 0.237 0.000 0.855 213 S N 3.030 118.983 115.700 0.421 0.000 2.545 213 S HA 0.272 4.742 4.470 -0.000 0.000 0.275 213 S C -1.333 173.382 174.600 0.192 0.000 1.299 213 S CA -1.452 56.929 58.200 0.302 0.000 1.048 213 S CB 0.094 63.415 63.200 0.202 0.000 0.938 213 S HN 0.310 nan 8.310 nan 0.000 0.496 214 P HA 0.039 nan 4.420 nan 0.000 0.240 214 P C 1.382 178.554 177.300 -0.213 0.000 1.190 214 P CA 0.326 63.028 63.100 -0.664 0.000 0.781 214 P CB -0.003 31.021 31.700 -1.127 0.000 0.931 215 V N 1.750 121.587 119.914 -0.129 0.000 2.407 215 V HA -0.132 3.988 4.120 -0.000 0.000 0.248 215 V C -0.286 175.753 176.094 -0.092 0.000 1.055 215 V CA 2.280 64.516 62.300 -0.106 0.000 1.049 215 V CB -2.501 29.286 31.823 -0.061 0.000 0.662 215 V HN 0.196 nan 8.190 nan 0.000 0.455 216 P HA -0.108 nan 4.420 nan 0.000 0.222 216 P C 1.253 178.346 177.300 -0.345 0.000 1.147 216 P CA 1.423 64.351 63.100 -0.287 0.000 0.790 216 P CB -0.073 31.367 31.700 -0.433 0.000 0.780 217 H N -2.097 116.989 119.070 0.027 0.000 2.729 217 H HA 0.421 4.977 4.556 -0.000 0.000 0.263 217 H C 0.813 176.162 175.328 0.035 0.000 0.961 217 H CA 0.035 56.120 56.048 0.061 0.000 1.217 217 H CB 0.291 30.131 29.762 0.129 0.000 1.447 217 H HN 0.025 nan 8.280 nan 0.000 0.496 218 A N 1.167 124.027 122.820 0.068 0.000 2.303 218 A HA 0.169 4.489 4.320 -0.000 0.000 0.317 218 A C 0.720 178.312 177.584 0.013 0.000 1.149 218 A CA -0.539 51.501 52.037 0.004 0.000 0.822 218 A CB 1.058 19.995 19.000 -0.105 0.000 1.131 218 A HN 0.074 nan 8.150 nan 0.000 0.493 219 D N 0.070 120.467 120.400 -0.005 0.000 2.084 219 D HA -0.018 4.622 4.640 -0.000 0.000 0.194 219 D C 0.269 176.535 176.300 -0.057 0.000 0.990 219 D CA 1.844 55.837 54.000 -0.012 0.000 0.826 219 D CB 0.075 40.736 40.800 -0.231 0.000 0.971 219 D HN 0.269 nan 8.370 nan 0.000 0.453 220 V N 0.583 120.411 119.914 -0.143 0.000 2.841 220 V HA 0.351 4.471 4.120 -0.000 0.000 0.310 220 V C -0.358 175.630 176.094 -0.178 0.000 1.090 220 V CA -0.856 61.362 62.300 -0.136 0.000 0.930 220 V CB 2.972 34.708 31.823 -0.145 0.000 1.014 220 V HN -0.235 nan 8.190 nan 0.000 0.425 221 V N 2.647 122.426 119.914 -0.225 0.000 2.483 221 V HA 0.629 4.749 4.120 -0.000 0.000 0.297 221 V C 0.105 176.025 176.094 -0.290 0.000 1.027 221 V CA -0.428 61.702 62.300 -0.283 0.000 0.855 221 V CB 1.965 33.573 31.823 -0.359 0.000 0.995 221 V HN 1.032 nan 8.190 nan 0.000 0.424 222 S N 2.932 118.474 115.700 -0.263 0.000 2.608 222 S HA 0.884 5.353 4.470 -0.000 0.000 0.291 222 S C -0.337 174.075 174.600 -0.313 0.000 1.146 222 S CA -0.579 57.477 58.200 -0.241 0.000 1.043 222 S CB 2.128 65.238 63.200 -0.151 0.000 1.037 222 S HN 0.817 nan 8.310 nan 0.000 0.520 223 T N 0.816 115.193 114.554 -0.294 0.000 2.840 223 T HA 0.572 4.922 4.350 -0.000 0.000 0.317 223 T C -0.693 173.841 174.700 -0.278 0.000 1.401 223 T CA -0.441 61.453 62.100 -0.343 0.000 1.028 223 T CB 1.355 69.968 68.868 -0.426 0.000 1.317 223 T HN 1.092 nan 8.240 nan 0.000 0.495 224 T N 0.811 115.156 114.554 -0.349 0.000 2.899 224 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 224 T C 1.336 175.844 174.700 -0.321 0.000 1.033 224 T CA -0.541 61.315 62.100 -0.407 0.000 1.084 224 T CB 1.039 69.405 68.868 -0.837 0.000 0.979 224 T HN 0.334 nan 8.240 nan 0.000 0.532 225 V N 1.397 121.212 119.914 -0.165 0.000 3.174 225 V HA 0.042 4.162 4.120 -0.000 0.000 0.254 225 V C 1.557 177.638 176.094 -0.020 0.000 1.120 225 V CA 0.596 62.861 62.300 -0.059 0.000 1.114 225 V CB -1.310 30.518 31.823 0.009 0.000 0.756 225 V HN 0.982 nan 8.190 nan 0.000 0.467 229 L N 2.861 124.110 121.223 0.044 0.000 2.265 229 L HA 0.467 4.807 4.340 -0.000 0.000 0.215 229 L C 1.942 178.947 176.870 0.225 0.000 1.117 229 L CA 2.426 57.372 54.840 0.177 0.000 0.782 229 L CB -1.046 41.048 42.059 0.059 0.000 0.914 229 L HN 0.973 nan 8.230 nan 0.000 0.441 230 G N -2.142 106.747 108.800 0.147 0.000 2.136 230 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.242 230 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.242 230 G C 0.630 175.613 174.900 0.139 0.000 0.989 230 G CA 0.248 45.452 45.100 0.173 0.000 0.682 230 G HN 0.850 nan 8.290 nan 0.000 0.522 231 G N -0.727 108.134 108.800 0.101 0.000 2.671 231 G HA2 0.785 4.745 3.960 -0.000 0.000 0.275 231 G HA3 0.785 4.745 3.960 -0.000 0.000 0.275 231 G C 0.699 175.657 174.900 0.096 0.000 1.368 231 G CA 0.047 45.197 45.100 0.083 0.000 1.044 231 G HN 1.199 nan 8.290 nan 0.000 0.543 232 G N -1.135 107.705 108.800 0.066 0.000 2.503 232 G HA2 0.426 4.386 3.960 -0.000 0.000 0.257 232 G HA3 0.426 4.386 3.960 -0.000 0.000 0.257 232 G C 0.119 175.041 174.900 0.038 0.000 1.214 232 G CA -0.624 44.499 45.100 0.038 0.000 0.839 232 G HN 0.563 nan 8.290 nan 0.000 0.559 233 R N 0.552 121.010 120.500 -0.069 0.000 2.399 233 R HA 0.355 4.695 4.340 -0.000 0.000 0.324 233 R C -0.052 176.202 176.300 -0.076 0.000 1.030 233 R CA 0.682 56.626 56.100 -0.259 0.000 0.984 233 R CB -0.231 29.832 30.300 -0.394 0.000 0.961 233 R HN 0.756 nan 8.270 nan 0.000 0.433 234 S N 1.589 117.367 115.700 0.131 0.000 2.663 234 S HA 0.527 4.997 4.470 -0.000 0.000 0.264 234 S C -0.606 174.068 174.600 0.124 0.000 1.112 234 S CA -0.737 57.525 58.200 0.103 0.000 0.823 234 S CB 0.880 64.102 63.200 0.037 0.000 1.111 234 S HN 0.586 nan 8.310 nan 0.000 0.476 235 G N -0.647 108.177 108.800 0.040 0.000 2.735 235 G HA2 0.845 4.805 3.960 -0.000 0.000 0.301 235 G HA3 0.845 4.805 3.960 -0.000 0.000 0.301 235 G C -1.612 173.253 174.900 -0.059 0.000 1.279 235 G CA -0.822 44.264 45.100 -0.024 0.000 1.019 235 G HN 1.490 nan 8.290 nan 0.000 0.497 236 L N -0.936 120.227 121.223 -0.100 0.000 2.591 236 L HA 0.710 5.049 4.340 -0.000 0.000 0.257 236 L C -1.687 175.087 176.870 -0.160 0.000 0.935 236 L CA -0.558 54.213 54.840 -0.116 0.000 0.873 236 L CB 1.908 43.897 42.059 -0.117 0.000 1.397 236 L HN 0.510 nan 8.230 nan 0.000 0.414 237 I N 4.598 125.072 120.570 -0.159 0.000 2.545 237 I HA 0.761 4.931 4.170 -0.000 0.000 0.292 237 I C -0.639 175.276 176.117 -0.337 0.000 1.040 237 I CA -1.005 60.170 61.300 -0.208 0.000 1.068 237 I CB 2.125 40.059 38.000 -0.110 0.000 1.251 237 I HN 0.543 nan 8.210 nan 0.000 0.424 238 V N 2.015 121.668 119.914 -0.435 0.000 3.040 238 V HA 1.117 5.237 4.120 -0.000 0.000 0.312 238 V C -0.250 175.472 176.094 -0.621 0.000 1.115 238 V CA -0.242 61.695 62.300 -0.604 0.000 0.998 238 V CB 1.585 33.178 31.823 -0.384 0.000 1.042 238 V HN 0.973 nan 8.190 nan 0.000 0.433 239 G N 1.380 109.741 108.800 -0.732 0.000 0.000 239 G HA2 0.396 4.356 3.960 -0.000 0.000 0.000 239 G HA3 0.396 4.356 3.960 -0.000 0.000 0.000 239 G C -1.562 173.412 174.900 0.123 0.000 0.000 239 G CA -1.107 43.870 45.100 -0.205 0.000 0.000 239 G HN 0.753 nan 8.290 nan 0.000 0.000 240 K N 0.313 120.917 120.400 0.339 0.000 2.326 240 K HA 0.180 4.500 4.320 -0.000 0.000 0.275 240 K C 1.140 177.961 176.600 0.367 0.000 1.018 240 K CA -0.467 56.007 56.287 0.312 0.000 0.962 240 K CB 1.790 34.447 32.500 0.261 0.000 0.953 240 K HN 0.575 nan 8.250 nan 0.000 0.475 241 Q N 2.422 122.332 119.800 0.184 0.000 2.197 241 Q HA -0.243 4.097 4.340 -0.000 0.000 0.207 241 Q C 1.839 177.754 176.000 -0.141 0.000 0.984 241 Q CA 1.957 57.794 55.803 0.057 0.000 0.869 241 Q CB -0.036 28.714 28.738 0.020 0.000 0.906 241 Q HN 0.658 nan 8.270 nan 0.000 0.426 242 Q N -1.587 118.064 119.800 -0.249 0.000 2.297 242 Q HA -0.195 4.145 4.340 -0.000 0.000 0.208 242 Q C 0.499 176.148 176.000 -0.585 0.000 0.981 242 Q CA 1.461 56.996 55.803 -0.447 0.000 0.876 242 Q CB -0.330 28.067 28.738 -0.569 0.000 0.921 242 Q HN 0.534 nan 8.270 nan 0.000 0.446 243 Y N -0.101 120.145 120.300 -0.090 0.000 2.468 243 Y HA 0.444 4.994 4.550 -0.000 0.000 0.268 243 Y C 2.163 177.780 175.900 -0.471 0.000 1.177 243 Y CA -0.176 57.837 58.100 -0.145 0.000 1.265 243 Y CB -0.104 38.374 38.460 0.031 0.000 1.103 243 Y HN 0.233 nan 8.280 nan 0.000 0.522 244 A N 0.804 123.233 122.820 -0.651 0.000 1.877 244 A HA -0.253 4.067 4.320 -0.000 0.000 0.216 244 A C 2.244 179.545 177.584 -0.471 0.000 1.186 244 A CA 2.170 53.598 52.037 -1.015 0.000 0.620 244 A CB -0.351 18.242 19.000 -0.678 0.000 0.822 244 A HN 0.312 nan 8.150 nan 0.000 0.443 245 K N 0.183 120.428 120.400 -0.259 0.000 2.057 245 K HA 0.076 4.396 4.320 -0.000 0.000 0.206 245 K C 1.989 178.540 176.600 -0.082 0.000 1.050 245 K CA 1.739 57.946 56.287 -0.133 0.000 0.935 245 K CB -0.674 31.771 32.500 -0.091 0.000 0.715 245 K HN 0.291 nan 8.250 nan 0.000 0.439 246 A N 1.241 124.029 122.820 -0.053 0.000 1.883 246 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 246 A C 2.194 179.786 177.584 0.014 0.000 1.186 246 A CA 1.833 53.880 52.037 0.016 0.000 0.624 246 A CB -0.664 18.387 19.000 0.085 0.000 0.822 246 A HN 0.342 nan 8.150 nan 0.000 0.444 247 I N 0.211 120.777 120.570 -0.006 0.000 2.233 247 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 247 I C 2.042 178.165 176.117 0.011 0.000 1.093 247 I CA 1.272 62.597 61.300 0.041 0.000 1.380 247 I CB -1.613 36.508 38.000 0.202 0.000 1.067 247 I HN 0.328 nan 8.210 nan 0.000 0.413 248 N N 0.699 119.383 118.700 -0.027 0.000 2.061 248 N HA -0.194 4.546 4.740 -0.000 0.000 0.193 248 N C 2.048 177.554 175.510 -0.006 0.000 1.030 248 N CA 1.777 54.827 53.050 -0.001 0.000 0.856 248 N CB -0.499 37.980 38.487 -0.013 0.000 1.023 248 N HN 0.219 nan 8.380 nan 0.000 0.424 249 S N 0.178 115.863 115.700 -0.026 0.000 2.399 249 S HA 0.014 4.483 4.470 -0.000 0.000 0.231 249 S C 1.906 176.431 174.600 -0.125 0.000 1.022 249 S CA 1.129 59.301 58.200 -0.047 0.000 0.983 249 S CB -0.175 63.012 63.200 -0.022 0.000 0.803 249 S HN 0.411 nan 8.310 nan 0.000 0.480 250 A N 0.664 123.397 122.820 -0.144 0.000 1.898 250 A HA 0.038 4.358 4.320 -0.000 0.000 0.216 250 A C 2.286 179.654 177.584 -0.360 0.000 1.181 250 A CA 1.603 53.406 52.037 -0.390 0.000 0.620 250 A CB -0.883 18.004 19.000 -0.189 0.000 0.819 250 A HN 0.437 nan 8.150 nan 0.000 0.442 251 V N -2.153 117.664 119.914 -0.163 0.000 2.270 251 V HA -0.029 4.091 4.120 -0.000 0.000 0.245 251 V C 0.963 177.031 176.094 -0.043 0.000 1.043 251 V CA 1.754 63.989 62.300 -0.109 0.000 1.014 251 V CB -0.595 31.198 31.823 -0.051 0.000 0.645 251 V HN 0.537 nan 8.190 nan 0.000 0.447 252 F N 1.794 121.651 119.950 -0.155 0.000 2.573 252 F HA 0.564 5.091 4.527 -0.000 0.000 0.316 252 F C -2.470 173.270 175.800 -0.100 0.000 1.148 252 F CA -2.145 55.774 58.000 -0.135 0.000 0.940 252 F CB 2.301 41.214 39.000 -0.145 0.000 1.214 252 F HN -0.104 nan 8.300 nan 0.000 0.448 253 P HA 0.185 nan 4.420 nan 0.000 0.261 253 P C 1.020 178.062 177.300 -0.429 0.000 1.352 253 P CA 0.452 62.917 63.100 -1.057 0.000 0.891 253 P CB 0.467 31.576 31.700 -0.986 0.000 1.383 254 G N 0.994 109.589 108.800 -0.342 0.000 2.480 254 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.216 254 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.216 254 G C 1.547 176.295 174.900 -0.254 0.000 1.200 254 G CA 0.867 45.748 45.100 -0.365 0.000 0.782 254 G HN 0.218 nan 8.290 nan 0.000 0.554 255 Q N -0.588 119.062 119.800 -0.249 0.000 2.462 255 Q HA 0.215 4.554 4.340 -0.000 0.000 0.224 255 Q C 1.147 177.117 176.000 -0.050 0.000 0.911 255 Q CA 0.471 56.192 55.803 -0.137 0.000 0.925 255 Q CB 0.447 29.080 28.738 -0.175 0.000 1.063 255 Q HN 0.536 nan 8.270 nan 0.000 0.572 256 Q N -0.839 118.948 119.800 -0.021 0.000 2.306 256 Q HA 0.595 4.935 4.340 -0.000 0.000 0.269 256 Q C 0.085 176.226 176.000 0.234 0.000 1.053 256 Q CA -0.440 55.411 55.803 0.079 0.000 0.879 256 Q CB 1.713 30.412 28.738 -0.065 0.000 1.344 256 Q HN 0.140 nan 8.270 nan 0.000 0.464 257 G N -0.268 108.695 108.800 0.271 0.000 3.365 257 G HA2 0.422 4.382 3.960 -0.000 0.000 0.185 257 G HA3 0.422 4.382 3.960 -0.000 0.000 0.185 257 G C -0.178 174.822 174.900 0.166 0.000 1.565 257 G CA -0.224 45.074 45.100 0.331 0.000 0.984 257 G HN 0.596 nan 8.290 nan 0.000 0.604 258 G N 1.606 110.521 108.800 0.192 0.000 2.340 258 G HA2 0.472 4.432 3.960 -0.000 0.000 0.245 258 G HA3 0.472 4.432 3.960 -0.000 0.000 0.245 258 G C -1.963 172.943 174.900 0.011 0.000 1.294 258 G CA -0.315 44.808 45.100 0.039 0.000 0.896 258 G HN 0.411 nan 8.290 nan 0.000 0.522 259 P HA 0.183 nan 4.420 nan 0.000 0.274 259 P C -0.161 177.151 177.300 0.020 0.000 1.246 259 P CA -0.489 62.612 63.100 0.002 0.000 0.795 259 P CB 1.238 32.882 31.700 -0.094 0.000 1.006 260 L N 2.459 123.713 121.223 0.052 0.000 2.356 260 L HA 0.148 4.488 4.340 -0.000 0.000 0.282 260 L C 1.765 178.602 176.870 -0.056 0.000 1.132 260 L CA -0.504 54.321 54.840 -0.024 0.000 0.923 260 L CB 0.009 41.965 42.059 -0.172 0.000 1.278 260 L HN 0.227 nan 8.230 nan 0.000 0.436 261 M N 1.331 120.981 119.600 0.084 0.000 2.229 261 M HA -0.126 4.354 4.480 -0.000 0.000 0.264 261 M C 2.346 178.699 176.300 0.089 0.000 1.063 261 M CA 1.372 56.709 55.300 0.062 0.000 1.114 261 M CB -1.104 31.529 32.600 0.055 0.000 1.387 261 M HN 0.632 nan 8.290 nan 0.000 0.420 262 H N -0.384 118.670 119.070 -0.027 0.000 2.353 262 H HA -0.005 4.551 4.556 -0.000 0.000 0.300 262 H C 2.094 177.414 175.328 -0.013 0.000 1.090 262 H CA 1.552 57.588 56.048 -0.020 0.000 1.327 262 H CB -1.532 28.216 29.762 -0.024 0.000 1.383 262 H HN 0.250 nan 8.280 nan 0.000 0.508 263 V N 1.636 121.297 119.914 -0.421 0.000 2.427 263 V HA -0.170 3.949 4.120 -0.000 0.000 0.248 263 V C 3.002 179.026 176.094 -0.116 0.000 1.051 263 V CA 1.487 63.626 62.300 -0.268 0.000 1.048 263 V CB -0.585 31.042 31.823 -0.328 0.000 0.666 263 V HN 0.249 nan 8.190 nan 0.000 0.456 264 I N 0.703 121.218 120.570 -0.092 0.000 2.286 264 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 264 I C 2.684 178.784 176.117 -0.028 0.000 1.115 264 I CA 1.405 62.677 61.300 -0.047 0.000 1.392 264 I CB -0.577 37.400 38.000 -0.038 0.000 1.065 264 I HN 0.292 nan 8.210 nan 0.000 0.418 265 A N 0.982 123.794 122.820 -0.015 0.000 1.908 265 A HA -0.161 4.159 4.320 -0.000 0.000 0.218 265 A C 2.441 180.019 177.584 -0.010 0.000 1.181 265 A CA 1.995 54.030 52.037 -0.003 0.000 0.627 265 A CB -1.417 17.593 19.000 0.016 0.000 0.818 265 A HN 0.466 nan 8.150 nan 0.000 0.445 266 G N -0.433 108.359 108.800 -0.014 0.000 2.422 266 G HA2 -0.196 3.763 3.960 -0.000 0.000 0.218 266 G HA3 -0.196 3.763 3.960 -0.000 0.000 0.218 266 G C 1.632 176.523 174.900 -0.016 0.000 1.140 266 G CA 1.026 46.120 45.100 -0.011 0.000 0.775 266 G HN 0.604 nan 8.290 nan 0.000 0.545 267 K N 0.685 121.071 120.400 -0.023 0.000 2.026 267 K HA 0.011 4.330 4.320 -0.000 0.000 0.208 267 K C 2.949 179.530 176.600 -0.032 0.000 1.048 267 K CA 1.068 57.340 56.287 -0.024 0.000 0.929 267 K CB -0.271 32.214 32.500 -0.025 0.000 0.713 267 K HN 0.248 nan 8.250 nan 0.000 0.439 268 A N 1.232 124.033 122.820 -0.031 0.000 1.908 268 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 268 A C 2.427 179.983 177.584 -0.047 0.000 1.181 268 A CA 1.657 53.672 52.037 -0.037 0.000 0.627 268 A CB -0.785 18.198 19.000 -0.027 0.000 0.818 268 A HN 0.085 nan 8.150 nan 0.000 0.445 269 V N -0.239 119.653 119.914 -0.037 0.000 2.295 269 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 269 V C 3.044 179.105 176.094 -0.056 0.000 1.049 269 V CA 1.990 64.266 62.300 -0.040 0.000 1.024 269 V CB -1.293 30.516 31.823 -0.023 0.000 0.648 269 V HN 0.621 nan 8.190 nan 0.000 0.447 270 A N -0.390 122.399 122.820 -0.051 0.000 1.933 270 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 270 A C 2.204 179.695 177.584 -0.154 0.000 1.175 270 A CA 1.633 53.627 52.037 -0.072 0.000 0.628 270 A CB -0.497 18.485 19.000 -0.031 0.000 0.814 270 A HN 0.516 nan 8.150 nan 0.000 0.444 271 L N -0.889 120.252 121.223 -0.137 0.000 2.156 271 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 271 L C 2.552 179.294 176.870 -0.213 0.000 1.095 271 L CA 1.686 56.413 54.840 -0.188 0.000 0.770 271 L CB -0.314 41.669 42.059 -0.128 0.000 0.914 271 L HN 0.447 nan 8.230 nan 0.000 0.439 272 K N 1.010 121.319 120.400 -0.152 0.000 2.025 272 K HA -0.153 4.167 4.320 -0.000 0.000 0.207 272 K C 2.102 178.608 176.600 -0.157 0.000 1.049 272 K CA 1.376 57.583 56.287 -0.133 0.000 0.933 272 K CB -0.082 32.366 32.500 -0.086 0.000 0.714 272 K HN 0.159 nan 8.250 nan 0.000 0.438 273 I N 1.170 121.646 120.570 -0.158 0.000 2.264 273 I HA -0.256 3.914 4.170 -0.000 0.000 0.248 273 I C 2.301 178.212 176.117 -0.344 0.000 1.111 273 I CA 1.186 62.393 61.300 -0.154 0.000 1.382 273 I CB -0.317 37.639 38.000 -0.073 0.000 1.060 273 I HN 0.265 nan 8.210 nan 0.000 0.418 274 A N 0.462 122.907 122.820 -0.626 0.000 2.121 274 A HA 0.032 4.352 4.320 -0.000 0.000 0.218 274 A C 2.311 179.528 177.584 -0.612 0.000 1.154 274 A CA 1.455 52.774 52.037 -1.196 0.000 0.679 274 A CB -0.511 17.875 19.000 -1.024 0.000 0.795 274 A HN 0.435 nan 8.150 nan 0.000 0.458 275 A N -0.256 122.366 122.820 -0.331 0.000 2.251 275 A HA 0.304 4.624 4.320 -0.000 0.000 0.209 275 A C 1.381 178.925 177.584 -0.066 0.000 1.187 275 A CA 0.915 52.848 52.037 -0.174 0.000 0.823 275 A CB -0.769 18.135 19.000 -0.160 0.000 0.846 275 A HN 0.564 nan 8.150 nan 0.000 0.486 276 T N -3.280 111.255 114.554 -0.032 0.000 2.904 276 T HA 0.406 4.756 4.350 -0.000 0.000 0.290 276 T C -1.616 173.141 174.700 0.094 0.000 1.018 276 T CA -1.433 60.687 62.100 0.034 0.000 1.075 276 T CB 1.085 69.978 68.868 0.042 0.000 0.986 276 T HN -0.019 nan 8.240 nan 0.000 0.523 277 P HA -0.064 nan 4.420 nan 0.000 0.217 277 P C 1.414 178.770 177.300 0.094 0.000 1.150 277 P CA 0.884 64.031 63.100 0.077 0.000 0.832 277 P CB 0.085 31.816 31.700 0.051 0.000 0.787 278 E N -1.085 119.174 120.200 0.098 0.000 2.085 278 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 278 E C 1.827 178.508 176.600 0.135 0.000 0.994 278 E CA 0.944 57.406 56.400 0.103 0.000 0.801 278 E CB -0.555 29.203 29.700 0.097 0.000 0.743 278 E HN 0.156 nan 8.360 nan 0.000 0.453 279 F N 0.897 120.860 119.950 0.022 0.000 2.134 279 F HA -0.122 4.405 4.527 0.000 0.000 0.299 279 F C 2.107 177.926 175.800 0.031 0.000 1.097 279 F CA 1.542 59.557 58.000 0.024 0.000 1.264 279 F CB -0.329 38.675 39.000 0.007 0.000 1.001 279 F HN 0.101 nan 8.300 nan 0.000 0.479 280 A N -0.196 122.736 122.820 0.187 0.000 1.902 280 A HA -0.261 4.059 4.320 -0.000 0.000 0.217 280 A C 1.863 179.454 177.584 0.012 0.000 1.181 280 A CA 2.076 54.170 52.037 0.096 0.000 0.623 280 A CB -1.264 17.809 19.000 0.121 0.000 0.818 280 A HN 0.530 nan 8.150 nan 0.000 0.443 281 D N -0.809 119.606 120.400 0.026 0.000 2.117 281 D HA -0.201 4.439 4.640 -0.000 0.000 0.197 281 D C 2.122 178.416 176.300 -0.009 0.000 0.987 281 D CA 1.488 55.500 54.000 0.020 0.000 0.829 281 D CB -0.160 40.664 40.800 0.041 0.000 0.961 281 D HN 0.447 nan 8.370 nan 0.000 0.460 282 R N -0.372 120.094 120.500 -0.057 0.000 2.081 282 R HA -0.153 4.187 4.340 -0.000 0.000 0.235 282 R C 2.036 178.251 176.300 -0.142 0.000 1.131 282 R CA 1.246 57.291 56.100 -0.093 0.000 0.960 282 R CB -0.055 30.151 30.300 -0.156 0.000 0.856 282 R HN 0.244 nan 8.270 nan 0.000 0.436 283 Q N 0.242 119.900 119.800 -0.237 0.000 2.124 283 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 283 Q C 2.039 178.009 176.000 -0.050 0.000 0.977 283 Q CA 1.194 56.896 55.803 -0.169 0.000 0.850 283 Q CB -0.352 28.276 28.738 -0.183 0.000 0.901 283 Q HN 0.378 nan 8.270 nan 0.000 0.429 284 R N 0.774 121.260 120.500 -0.023 0.000 2.092 284 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 284 R C 2.216 178.521 176.300 0.009 0.000 1.119 284 R CA 0.853 56.958 56.100 0.008 0.000 0.970 284 R CB 0.107 30.420 30.300 0.022 0.000 0.864 284 R HN 0.166 nan 8.270 nan 0.000 0.440 285 R N -0.759 119.757 120.500 0.027 0.000 2.096 285 R HA -0.067 4.272 4.340 -0.000 0.000 0.235 285 R C 2.180 178.486 176.300 0.011 0.000 1.127 285 R CA 1.780 57.923 56.100 0.072 0.000 0.968 285 R CB -0.312 30.077 30.300 0.147 0.000 0.861 285 R HN 0.228 nan 8.270 nan 0.000 0.440 286 T N 1.749 116.296 114.554 -0.011 0.000 2.652 286 T HA -0.137 4.213 4.350 -0.000 0.000 0.267 286 T C 1.881 176.513 174.700 -0.112 0.000 1.039 286 T CA 1.219 63.282 62.100 -0.061 0.000 1.153 286 T CB -0.179 68.681 68.868 -0.013 0.000 0.863 286 T HN 0.143 nan 8.240 nan 0.000 0.428 287 L N 0.680 121.875 121.223 -0.046 0.000 2.056 287 L HA -0.075 4.265 4.340 -0.000 0.000 0.207 287 L C 2.907 179.724 176.870 -0.088 0.000 1.078 287 L CA 1.106 55.926 54.840 -0.033 0.000 0.749 287 L CB -0.653 41.417 42.059 0.019 0.000 0.901 287 L HN 0.297 nan 8.230 nan 0.000 0.433 288 S N 0.163 115.809 115.700 -0.089 0.000 2.368 288 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 288 S C 2.011 176.501 174.600 -0.182 0.000 1.030 288 S CA 1.409 59.557 58.200 -0.086 0.000 0.999 288 S CB -0.378 62.808 63.200 -0.024 0.000 0.844 288 S HN 0.512 nan 8.310 nan 0.000 0.459 289 G N 0.673 109.223 108.800 -0.416 0.000 2.418 289 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.217 289 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.217 289 G C 1.678 176.273 174.900 -0.508 0.000 1.158 289 G CA 0.910 45.483 45.100 -0.878 0.000 0.771 289 G HN 0.689 nan 8.290 nan 0.000 0.545 290 A N 0.758 123.363 122.820 -0.359 0.000 1.933 290 A HA 0.124 4.444 4.320 -0.000 0.000 0.218 290 A C 2.699 180.204 177.584 -0.131 0.000 1.175 290 A CA 2.608 54.529 52.037 -0.195 0.000 0.628 290 A CB -0.741 18.181 19.000 -0.130 0.000 0.814 290 A HN 0.520 nan 8.150 nan 0.000 0.444 291 R N 0.038 120.468 120.500 -0.116 0.000 2.092 291 R HA 0.060 4.400 4.340 -0.000 0.000 0.231 291 R C 2.028 178.292 176.300 -0.061 0.000 1.119 291 R CA 1.587 57.640 56.100 -0.078 0.000 0.970 291 R CB -1.368 28.895 30.300 -0.061 0.000 0.864 291 R HN 0.634 nan 8.270 nan 0.000 0.440 292 I N 0.193 120.726 120.570 -0.062 0.000 2.286 292 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 292 I C 2.369 178.482 176.117 -0.007 0.000 1.115 292 I CA 1.507 62.795 61.300 -0.019 0.000 1.392 292 I CB -0.184 37.827 38.000 0.017 0.000 1.065 292 I HN 0.255 nan 8.210 nan 0.000 0.418 293 I N 0.409 120.966 120.570 -0.022 0.000 2.286 293 I HA -0.226 3.944 4.170 -0.000 0.000 0.245 293 I C 2.770 178.874 176.117 -0.022 0.000 1.104 293 I CA 1.174 62.472 61.300 -0.004 0.000 1.397 293 I CB -0.430 37.568 38.000 -0.003 0.000 1.072 293 I HN 0.142 nan 8.210 nan 0.000 0.417 294 A N 0.464 123.257 122.820 -0.045 0.000 1.908 294 A HA -0.280 4.039 4.320 -0.000 0.000 0.218 294 A C 1.908 179.468 177.584 -0.040 0.000 1.181 294 A CA 2.396 54.402 52.037 -0.052 0.000 0.627 294 A CB -0.783 18.174 19.000 -0.072 0.000 0.818 294 A HN 0.354 nan 8.150 nan 0.000 0.445 295 D N -1.285 119.096 120.400 -0.033 0.000 2.117 295 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 295 D C 2.166 178.457 176.300 -0.016 0.000 0.987 295 D CA 1.470 55.455 54.000 -0.025 0.000 0.829 295 D CB -0.086 40.702 40.800 -0.020 0.000 0.961 295 D HN 0.360 nan 8.370 nan 0.000 0.460 296 R N 0.378 120.873 120.500 -0.008 0.000 2.120 296 R HA 0.012 4.352 4.340 -0.000 0.000 0.234 296 R C 1.676 177.973 176.300 -0.006 0.000 1.123 296 R CA 1.007 57.106 56.100 -0.001 0.000 0.975 296 R CB -0.425 29.882 30.300 0.011 0.000 0.866 296 R HN 0.226 nan 8.270 nan 0.000 0.446 297 L N -0.285 120.931 121.223 -0.012 0.000 2.554 297 L HA 0.107 4.446 4.340 -0.000 0.000 0.226 297 L C 1.463 178.320 176.870 -0.022 0.000 1.137 297 L CA 0.436 55.267 54.840 -0.016 0.000 0.863 297 L CB -0.080 41.966 42.059 -0.022 0.000 0.985 297 L HN 0.249 nan 8.230 nan 0.000 0.451 298 M N -0.525 119.061 119.600 -0.023 0.000 2.383 298 M HA 0.214 4.694 4.480 -0.000 0.000 0.247 298 M C 0.882 177.171 176.300 -0.017 0.000 1.117 298 M CA -0.280 55.006 55.300 -0.024 0.000 0.995 298 M CB 0.348 32.930 32.600 -0.030 0.000 1.480 298 M HN 0.138 nan 8.290 nan 0.000 0.485 299 A N 1.112 123.924 122.820 -0.013 0.000 2.366 299 A HA 0.276 4.596 4.320 -0.000 0.000 0.249 299 A C -1.596 175.983 177.584 -0.009 0.000 1.084 299 A CA -1.099 50.933 52.037 -0.009 0.000 0.794 299 A CB -0.262 18.734 19.000 -0.006 0.000 1.034 299 A HN 0.111 nan 8.150 nan 0.000 0.491 300 P HA -0.197 nan 4.420 nan 0.000 0.216 300 P C 0.785 178.082 177.300 -0.006 0.000 1.150 300 P CA 1.709 64.805 63.100 -0.007 0.000 0.843 300 P CB -0.025 31.672 31.700 -0.005 0.000 0.787 301 D N -0.745 119.652 120.400 -0.005 0.000 2.144 301 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 301 D C 1.759 178.056 176.300 -0.004 0.000 0.984 301 D CA 1.178 55.176 54.000 -0.003 0.000 0.834 301 D CB -1.162 39.637 40.800 -0.002 0.000 0.955 301 D HN 0.068 nan 8.370 nan 0.000 0.465 302 V N 1.181 121.091 119.914 -0.006 0.000 2.407 302 V HA -0.036 4.084 4.120 -0.000 0.000 0.245 302 V C 2.857 178.945 176.094 -0.011 0.000 1.041 302 V CA 1.399 63.694 62.300 -0.008 0.000 1.040 302 V CB -0.724 31.094 31.823 -0.009 0.000 0.671 302 V HN 0.362 nan 8.190 nan 0.000 0.455 303 A N 0.593 123.406 122.820 -0.012 0.000 1.902 303 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 303 A C 2.450 180.028 177.584 -0.010 0.000 1.181 303 A CA 2.428 54.457 52.037 -0.013 0.000 0.623 303 A CB -0.680 18.312 19.000 -0.013 0.000 0.818 303 A HN 0.517 nan 8.150 nan 0.000 0.443 304 K N -0.541 119.855 120.400 -0.008 0.000 2.209 304 K HA 0.254 4.574 4.320 -0.000 0.000 0.204 304 K C 2.112 178.708 176.600 -0.006 0.000 1.048 304 K CA 1.723 58.006 56.287 -0.007 0.000 0.940 304 K CB -1.226 31.271 32.500 -0.005 0.000 0.729 304 K HN 0.945 nan 8.250 nan 0.000 0.451 305 A N -0.752 122.064 122.820 -0.006 0.000 2.206 305 A HA 0.423 4.743 4.320 -0.000 0.000 0.211 305 A C 2.059 179.639 177.584 -0.007 0.000 1.158 305 A CA 1.264 53.298 52.037 -0.006 0.000 0.761 305 A CB -0.536 18.461 19.000 -0.005 0.000 0.801 305 A HN 1.600 nan 8.150 nan 0.000 0.473 306 G N -2.073 106.722 108.800 -0.009 0.000 2.159 306 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.227 306 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.227 306 G C 0.072 174.963 174.900 -0.015 0.000 0.986 306 G CA 0.034 45.127 45.100 -0.011 0.000 0.651 306 G HN 0.752 nan 8.290 nan 0.000 0.523 307 V N 1.664 121.567 119.914 -0.017 0.000 2.509 307 V HA 0.750 4.870 4.120 -0.000 0.000 0.284 307 V C 0.705 176.781 176.094 -0.031 0.000 1.047 307 V CA 0.262 62.548 62.300 -0.024 0.000 0.952 307 V CB 1.604 33.415 31.823 -0.020 0.000 0.988 307 V HN 1.087 nan 8.190 nan 0.000 0.469 308 S N 3.667 119.341 115.700 -0.043 0.000 2.570 308 S HA 0.766 5.236 4.470 -0.000 0.000 0.286 308 S C -1.036 173.518 174.600 -0.077 0.000 1.099 308 S CA -0.782 57.385 58.200 -0.055 0.000 0.913 308 S CB 1.973 65.140 63.200 -0.054 0.000 1.085 308 S HN 0.359 nan 8.310 nan 0.000 0.480 309 V N 2.691 122.556 119.914 -0.083 0.000 2.370 309 V HA 0.319 4.439 4.120 -0.000 0.000 0.279 309 V C -0.030 175.978 176.094 -0.143 0.000 1.029 309 V CA -0.771 61.467 62.300 -0.105 0.000 0.870 309 V CB 1.342 33.112 31.823 -0.087 0.000 0.984 309 V HN 0.832 nan 8.190 nan 0.000 0.451 310 V N 5.824 125.621 119.914 -0.195 0.000 2.493 310 V HA 0.141 4.261 4.120 -0.000 0.000 0.292 310 V C 1.247 177.210 176.094 -0.218 0.000 1.016 310 V CA 1.247 63.377 62.300 -0.284 0.000 1.097 310 V CB 0.365 31.992 31.823 -0.326 0.000 0.947 310 V HN 1.431 nan 8.190 nan 0.000 0.479 311 S N 2.609 118.215 115.700 -0.158 0.000 2.857 311 S HA -0.193 4.277 4.470 -0.000 0.000 0.268 311 S C 1.315 175.865 174.600 -0.083 0.000 1.297 311 S CA 1.059 59.207 58.200 -0.087 0.000 1.280 311 S CB -1.916 61.192 63.200 -0.153 0.000 1.562 311 S HN 2.789 nan 8.310 nan 0.000 0.661 312 G N -0.189 108.558 108.800 -0.088 0.000 2.143 312 G HA2 0.347 4.307 3.960 -0.000 0.000 0.248 312 G HA3 0.347 4.307 3.960 -0.000 0.000 0.248 312 G C 1.075 175.927 174.900 -0.080 0.000 0.991 312 G CA 0.625 45.682 45.100 -0.071 0.000 0.689 312 G HN 2.644 nan 8.290 nan 0.000 0.522 313 G N -2.774 105.963 108.800 -0.105 0.000 2.351 313 G HA2 0.712 4.671 3.960 -0.000 0.000 0.279 313 G HA3 0.712 4.671 3.960 -0.000 0.000 0.279 313 G C -0.729 174.087 174.900 -0.140 0.000 1.297 313 G CA 0.793 45.830 45.100 -0.105 0.000 0.886 313 G HN 1.775 nan 8.290 nan 0.000 0.493 314 T N -1.093 113.382 114.554 -0.131 0.000 2.942 314 T HA 0.570 4.920 4.350 -0.000 0.000 0.327 314 T C -1.306 173.326 174.700 -0.115 0.000 1.360 314 T CA -0.159 61.849 62.100 -0.155 0.000 1.055 314 T CB 1.917 70.695 68.868 -0.150 0.000 1.261 314 T HN 0.331 nan 8.240 nan 0.000 0.485 315 D N 1.753 122.084 120.400 -0.116 0.000 2.469 315 D HA 0.236 4.876 4.640 -0.000 0.000 0.215 315 D C 0.989 177.304 176.300 0.024 0.000 1.154 315 D CA 0.428 54.394 54.000 -0.057 0.000 0.832 315 D CB 1.030 41.782 40.800 -0.079 0.000 1.008 315 D HN 0.502 nan 8.370 nan 0.000 0.506 316 V N -1.201 118.728 119.914 0.024 0.000 3.344 316 V HA 0.360 4.480 4.120 -0.000 0.000 0.301 316 V C 1.142 177.313 176.094 0.127 0.000 1.286 316 V CA -0.593 61.812 62.300 0.175 0.000 1.028 316 V CB 1.181 33.171 31.823 0.279 0.000 1.223 316 V HN 0.071 nan 8.190 nan 0.000 0.478 317 H N 0.919 120.077 119.070 0.147 0.000 2.536 317 H HA 0.470 5.026 4.556 -0.000 0.000 0.276 317 H C -0.183 175.185 175.328 0.067 0.000 1.019 317 H CA 0.322 56.425 56.048 0.093 0.000 1.159 317 H CB -0.291 29.554 29.762 0.139 0.000 1.373 317 H HN 0.651 nan 8.280 nan 0.000 0.584 318 L N -2.224 118.852 121.223 -0.246 0.000 2.469 318 L HA 0.696 5.035 4.340 -0.000 0.000 0.256 318 L C -1.234 175.532 176.870 -0.174 0.000 1.006 318 L CA -1.483 53.233 54.840 -0.206 0.000 0.832 318 L CB 2.093 43.991 42.059 -0.268 0.000 1.421 318 L HN -0.219 nan 8.230 nan 0.000 0.410 319 V N 2.066 121.902 119.914 -0.131 0.000 2.487 319 V HA 0.531 4.651 4.120 -0.000 0.000 0.298 319 V C -0.255 175.766 176.094 -0.123 0.000 1.028 319 V CA -0.463 61.760 62.300 -0.128 0.000 0.860 319 V CB 1.641 33.410 31.823 -0.090 0.000 0.991 319 V HN 0.673 nan 8.190 nan 0.000 0.427 320 L N 5.198 126.330 121.223 -0.151 0.000 2.275 320 L HA 0.636 4.976 4.340 -0.000 0.000 0.288 320 L C -0.645 176.148 176.870 -0.127 0.000 1.046 320 L CA -0.619 54.137 54.840 -0.139 0.000 0.805 320 L CB 1.741 43.695 42.059 -0.175 0.000 1.193 320 L HN 0.368 nan 8.230 nan 0.000 0.426 321 V N 1.883 121.738 119.914 -0.097 0.000 2.495 321 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 321 V C -0.532 175.513 176.094 -0.082 0.000 1.031 321 V CA -0.642 61.608 62.300 -0.085 0.000 0.871 321 V CB 2.197 33.986 31.823 -0.056 0.000 0.988 321 V HN 0.598 nan 8.190 nan 0.000 0.432 322 D N 3.648 123.994 120.400 -0.089 0.000 2.280 322 D HA 0.407 5.047 4.640 -0.000 0.000 0.236 322 D C 0.361 176.631 176.300 -0.051 0.000 1.082 322 D CA -0.196 53.758 54.000 -0.077 0.000 0.834 322 D CB 1.762 42.501 40.800 -0.102 0.000 1.100 322 D HN 0.435 nan 8.370 nan 0.000 0.486 323 L N 3.929 125.129 121.223 -0.037 0.000 2.640 323 L HA 0.175 4.515 4.340 -0.000 0.000 0.230 323 L C 2.272 179.130 176.870 -0.020 0.000 1.123 323 L CA -0.171 54.653 54.840 -0.026 0.000 0.900 323 L CB 0.046 42.093 42.059 -0.020 0.000 1.146 323 L HN 0.361 nan 8.230 nan 0.000 0.484 324 R N -0.530 119.958 120.500 -0.021 0.000 2.148 324 R HA -0.110 4.230 4.340 -0.000 0.000 0.227 324 R C 0.462 176.755 176.300 -0.011 0.000 1.103 324 R CA 1.401 57.492 56.100 -0.014 0.000 0.983 324 R CB -0.222 30.071 30.300 -0.012 0.000 0.874 324 R HN 0.180 nan 8.270 nan 0.000 0.451 325 D N 0.976 121.369 120.400 -0.012 0.000 2.358 325 D HA 0.054 4.694 4.640 -0.000 0.000 0.224 325 D C -0.045 176.249 176.300 -0.009 0.000 1.123 325 D CA 0.308 54.303 54.000 -0.009 0.000 0.833 325 D CB 0.804 41.598 40.800 -0.009 0.000 0.946 325 D HN 0.357 nan 8.370 nan 0.000 0.505 326 S N -0.126 115.568 115.700 -0.010 0.000 2.739 326 S HA 0.553 5.023 4.470 -0.000 0.000 0.306 326 S C -2.027 172.569 174.600 -0.006 0.000 1.115 326 S CA -1.015 57.180 58.200 -0.008 0.000 0.985 326 S CB 2.345 65.539 63.200 -0.010 0.000 1.133 326 S HN -0.288 nan 8.310 nan 0.000 0.541 327 P HA 0.281 nan 4.420 nan 0.000 0.241 327 P C -0.416 176.882 177.300 -0.002 0.000 1.191 327 P CA 0.384 63.483 63.100 -0.003 0.000 0.771 327 P CB -0.111 31.588 31.700 -0.001 0.000 0.929 328 L N 0.720 121.941 121.223 -0.003 0.000 2.322 328 L HA 0.327 4.667 4.340 -0.000 0.000 0.279 328 L C 0.479 177.347 176.870 -0.004 0.000 1.036 328 L CA -1.093 53.746 54.840 -0.002 0.000 0.807 328 L CB 1.066 43.124 42.059 -0.001 0.000 1.226 328 L HN -0.092 nan 8.230 nan 0.000 0.433 329 D N 1.256 121.654 120.400 -0.004 0.000 2.437 329 D HA 0.232 4.872 4.640 -0.000 0.000 0.259 329 D C 1.155 177.452 176.300 -0.004 0.000 1.118 329 D CA -0.393 53.603 54.000 -0.006 0.000 1.017 329 D CB 0.965 41.762 40.800 -0.006 0.000 1.120 329 D HN 0.485 nan 8.370 nan 0.000 0.541 330 G N -0.844 107.952 108.800 -0.007 0.000 2.469 330 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.219 330 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.219 330 G C 1.366 176.266 174.900 -0.001 0.000 1.150 330 G CA 1.197 46.294 45.100 -0.005 0.000 0.763 330 G HN 0.529 nan 8.290 nan 0.000 0.561 331 Q N 0.525 120.324 119.800 -0.002 0.000 2.119 331 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 331 Q C 2.679 178.682 176.000 0.004 0.000 0.972 331 Q CA 1.763 57.566 55.803 -0.001 0.000 0.847 331 Q CB -0.562 28.173 28.738 -0.005 0.000 0.903 331 Q HN 0.384 nan 8.270 nan 0.000 0.433 332 A N 0.061 122.884 122.820 0.005 0.000 1.898 332 A HA -0.009 4.311 4.320 -0.000 0.000 0.216 332 A C 2.248 179.841 177.584 0.015 0.000 1.181 332 A CA 1.685 53.727 52.037 0.009 0.000 0.620 332 A CB -1.051 17.953 19.000 0.006 0.000 0.819 332 A HN 0.480 nan 8.150 nan 0.000 0.442 333 A N -0.371 122.457 122.820 0.012 0.000 1.898 333 A HA -0.168 4.152 4.320 -0.000 0.000 0.216 333 A C 2.037 179.637 177.584 0.028 0.000 1.181 333 A CA 1.750 53.797 52.037 0.017 0.000 0.620 333 A CB -0.523 18.482 19.000 0.010 0.000 0.819 333 A HN 0.661 nan 8.150 nan 0.000 0.442 334 E N -0.221 119.994 120.200 0.026 0.000 2.077 334 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 334 E C 1.226 177.860 176.600 0.057 0.000 0.989 334 E CA 1.405 57.827 56.400 0.037 0.000 0.800 334 E CB -0.121 29.591 29.700 0.021 0.000 0.746 334 E HN 0.528 nan 8.360 nan 0.000 0.452 335 D N 0.534 120.960 120.400 0.043 0.000 2.117 335 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 335 D C 1.977 178.333 176.300 0.093 0.000 0.987 335 D CA 0.581 54.618 54.000 0.062 0.000 0.829 335 D CB -0.272 40.547 40.800 0.033 0.000 0.961 335 D HN 0.195 nan 8.370 nan 0.000 0.460 336 L N 0.519 121.779 121.223 0.062 0.000 2.083 336 L HA -0.072 4.267 4.340 -0.000 0.000 0.209 336 L C 2.060 178.965 176.870 0.060 0.000 1.083 336 L CA 1.332 56.204 54.840 0.054 0.000 0.752 336 L CB -0.481 41.599 42.059 0.035 0.000 0.899 336 L HN -0.002 nan 8.230 nan 0.000 0.433 337 L N -1.266 119.998 121.223 0.067 0.000 2.093 337 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 337 L C 2.576 179.493 176.870 0.079 0.000 1.085 337 L CA 1.344 56.223 54.840 0.064 0.000 0.755 337 L CB -0.741 41.355 42.059 0.062 0.000 0.904 337 L HN 0.427 nan 8.230 nan 0.000 0.435 338 H N 0.490 119.574 119.070 0.024 0.000 2.387 338 H HA -0.184 4.372 4.556 -0.000 0.000 0.299 338 H C 2.105 177.447 175.328 0.024 0.000 1.099 338 H CA 1.814 57.877 56.048 0.025 0.000 1.315 338 H CB 0.153 29.929 29.762 0.023 0.000 1.380 338 H HN 0.311 nan 8.280 nan 0.000 0.513 339 E N -0.290 119.923 120.200 0.022 0.000 2.160 339 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 339 E C 1.889 178.453 176.600 -0.060 0.000 0.991 339 E CA 1.522 57.909 56.400 -0.022 0.000 0.810 339 E CB 0.057 29.776 29.700 0.031 0.000 0.742 339 E HN 0.553 nan 8.360 nan 0.000 0.466 340 V N -3.005 116.886 119.914 -0.039 0.000 3.514 340 V HA 0.428 4.547 4.120 -0.000 0.000 0.301 340 V C 1.018 177.089 176.094 -0.038 0.000 1.346 340 V CA 0.452 62.736 62.300 -0.027 0.000 1.156 340 V CB -0.042 31.781 31.823 0.001 0.000 1.029 340 V HN 0.275 nan 8.190 nan 0.000 0.428 341 G N 0.750 109.496 108.800 -0.090 0.000 2.131 341 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.223 341 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.223 341 G C -0.215 174.671 174.900 -0.024 0.000 0.990 341 G CA 0.193 45.243 45.100 -0.083 0.000 0.671 341 G HN 0.611 nan 8.290 nan 0.000 0.521 342 I N 1.545 122.116 120.570 0.002 0.000 2.406 342 I HA 0.379 4.549 4.170 -0.000 0.000 0.290 342 I C 0.013 176.179 176.117 0.081 0.000 0.999 342 I CA -0.696 60.633 61.300 0.047 0.000 1.124 342 I CB 2.046 40.079 38.000 0.054 0.000 1.289 342 I HN 0.002 nan 8.210 nan 0.000 0.441 343 T N 6.371 120.979 114.554 0.090 0.000 2.738 343 T HA 0.475 4.825 4.350 -0.000 0.000 0.298 343 T C 0.129 174.875 174.700 0.078 0.000 0.962 343 T CA -0.504 61.660 62.100 0.107 0.000 0.972 343 T CB 0.893 69.825 68.868 0.108 0.000 0.928 343 T HN 0.441 nan 8.240 nan 0.000 0.474 344 V N 1.147 121.104 119.914 0.071 0.000 3.184 344 V HA 0.870 4.990 4.120 -0.000 0.000 0.308 344 V C -0.937 175.186 176.094 0.048 0.000 1.243 344 V CA -1.330 61.003 62.300 0.056 0.000 1.058 344 V CB 2.169 34.020 31.823 0.047 0.000 1.183 344 V HN 0.812 nan 8.190 nan 0.000 0.471 345 N N -0.139 118.586 118.700 0.042 0.000 2.284 345 N HA 0.485 5.225 4.740 -0.000 0.000 0.289 345 N C -0.633 174.890 175.510 0.022 0.000 1.179 345 N CA -0.945 52.125 53.050 0.034 0.000 0.774 345 N CB 1.947 40.459 38.487 0.042 0.000 1.548 345 N HN 1.028 nan 8.380 nan 0.000 0.473 361 G N 0.767 109.551 108.800 -0.027 0.000 2.537 361 G HA2 0.867 4.826 3.960 -0.000 0.000 0.308 361 G HA3 0.867 4.826 3.960 -0.000 0.000 0.308 361 G C -1.646 173.239 174.900 -0.026 0.000 1.237 361 G CA -0.786 44.293 45.100 -0.035 0.000 0.968 361 G HN 0.373 nan 8.290 nan 0.000 0.481 362 L N -0.317 120.888 121.223 -0.031 0.000 2.482 362 L HA 0.718 5.058 4.340 -0.000 0.000 0.263 362 L C -0.853 176.001 176.870 -0.027 0.000 0.957 362 L CA -0.693 54.136 54.840 -0.020 0.000 0.836 362 L CB 2.141 44.190 42.059 -0.016 0.000 1.324 362 L HN 0.639 nan 8.230 nan 0.000 0.406 363 R N 5.401 125.894 120.500 -0.013 0.000 2.494 363 R HA 0.781 5.120 4.340 -0.000 0.000 0.305 363 R C -1.203 175.098 176.300 0.002 0.000 0.959 363 R CA -0.488 55.601 56.100 -0.017 0.000 0.864 363 R CB 1.883 32.182 30.300 -0.003 0.000 1.159 363 R HN 0.544 nan 8.270 nan 0.000 0.446 364 I N 1.755 122.319 120.570 -0.010 0.000 2.418 364 I HA 0.485 4.655 4.170 -0.000 0.000 0.287 364 I C 0.232 176.355 176.117 0.009 0.000 1.008 364 I CA -0.659 60.648 61.300 0.010 0.000 1.104 364 I CB 2.248 40.252 38.000 0.007 0.000 1.264 364 I HN 0.708 nan 8.210 nan 0.000 0.438 365 G N 2.071 110.897 108.800 0.045 0.000 2.453 365 G HA2 0.517 4.477 3.960 -0.000 0.000 0.323 365 G HA3 0.517 4.477 3.960 -0.000 0.000 0.323 365 G C 0.358 175.308 174.900 0.082 0.000 1.198 365 G CA -0.302 44.838 45.100 0.067 0.000 0.959 365 G HN 0.608 nan 8.290 nan 0.000 0.482 366 T N -1.869 112.732 114.554 0.080 0.000 3.010 366 T HA 0.245 4.595 4.350 -0.000 0.000 0.257 366 T C -0.889 173.879 174.700 0.113 0.000 1.020 366 T CA -0.031 62.120 62.100 0.084 0.000 0.938 366 T CB 0.384 69.158 68.868 -0.155 0.000 1.049 366 T HN 0.238 nan 8.240 nan 0.000 0.522 367 P HA -0.006 nan 4.420 nan 0.000 0.215 367 P C 1.855 179.158 177.300 0.004 0.000 1.157 367 P CA 1.708 64.830 63.100 0.036 0.000 0.874 367 P CB -0.306 31.398 31.700 0.006 0.000 0.790 368 A N -0.786 121.999 122.820 -0.059 0.000 1.898 368 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 368 A C 2.246 179.846 177.584 0.026 0.000 1.181 368 A CA 1.381 53.321 52.037 -0.161 0.000 0.620 368 A CB -1.600 17.142 19.000 -0.430 0.000 0.819 368 A HN 0.108 nan 8.150 nan 0.000 0.442 369 L N -0.865 120.329 121.223 -0.049 0.000 2.093 369 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 369 L C 3.087 179.845 176.870 -0.187 0.000 1.085 369 L CA 0.889 55.520 54.840 -0.348 0.000 0.755 369 L CB -0.557 41.141 42.059 -0.602 0.000 0.904 369 L HN 0.447 nan 8.230 nan 0.000 0.435 370 A N -0.162 122.744 122.820 0.143 0.000 1.877 370 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 370 A C 2.356 179.995 177.584 0.092 0.000 1.186 370 A CA 2.370 54.517 52.037 0.184 0.000 0.620 370 A CB -0.968 18.145 19.000 0.190 0.000 0.822 370 A HN 0.368 nan 8.150 nan 0.000 0.443 371 T N -0.699 113.903 114.554 0.079 0.000 2.759 371 T HA -0.181 4.169 4.350 -0.000 0.000 0.269 371 T C 1.960 176.717 174.700 0.094 0.000 1.042 371 T CA 1.678 63.838 62.100 0.099 0.000 1.140 371 T CB -0.244 68.715 68.868 0.151 0.000 0.864 371 T HN 0.607 nan 8.240 nan 0.000 0.455 372 R N 0.495 121.037 120.500 0.069 0.000 2.235 372 R HA 0.066 4.406 4.340 -0.000 0.000 0.213 372 R C 1.505 177.877 176.300 0.121 0.000 1.059 372 R CA 1.083 57.184 56.100 0.001 0.000 0.997 372 R CB -0.032 30.198 30.300 -0.116 0.000 0.884 372 R HN 0.490 nan 8.270 nan 0.000 0.462 373 G N -0.936 107.941 108.800 0.129 0.000 2.183 373 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.168 373 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.168 373 G C -0.304 174.682 174.900 0.143 0.000 1.008 373 G CA -0.481 44.761 45.100 0.236 0.000 0.677 373 G HN 0.114 nan 8.290 nan 0.000 0.498 374 F N 1.781 121.484 119.950 -0.412 0.000 2.572 374 F HA 0.538 5.064 4.527 -0.000 0.000 0.370 374 F C 1.327 176.982 175.800 -0.240 0.000 1.103 374 F CA 0.417 58.011 58.000 -0.678 0.000 1.286 374 F CB 1.035 39.395 39.000 -1.066 0.000 1.105 374 F HN 0.225 nan 8.300 nan 0.000 0.583 375 G N 2.004 110.773 108.800 -0.052 0.000 3.119 375 G HA2 0.226 4.186 3.960 -0.000 0.000 0.206 375 G HA3 0.226 4.186 3.960 -0.000 0.000 0.206 375 G C 0.189 175.197 174.900 0.180 0.000 1.313 375 G CA -0.456 44.731 45.100 0.145 0.000 1.010 375 G HN 0.390 nan 8.290 nan 0.000 0.578 376 D N -0.259 120.241 120.400 0.167 0.000 2.117 376 D HA -0.058 4.582 4.640 -0.000 0.000 0.197 376 D C 2.630 178.983 176.300 0.088 0.000 0.987 376 D CA 1.734 55.832 54.000 0.163 0.000 0.829 376 D CB -0.404 40.456 40.800 0.101 0.000 0.961 376 D HN 0.278 nan 8.370 nan 0.000 0.460 377 T N 0.885 115.452 114.554 0.020 0.000 2.720 377 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 377 T C 1.697 176.335 174.700 -0.103 0.000 1.037 377 T CA 1.408 63.493 62.100 -0.025 0.000 1.144 377 T CB -0.154 68.700 68.868 -0.023 0.000 0.864 377 T HN 0.136 nan 8.240 nan 0.000 0.444 378 E N 0.358 120.408 120.200 -0.249 0.000 2.107 378 E HA 0.068 4.418 4.350 -0.000 0.000 0.191 378 E C 1.734 178.118 176.600 -0.359 0.000 0.982 378 E CA 0.705 56.775 56.400 -0.551 0.000 0.809 378 E CB -0.378 28.550 29.700 -1.287 0.000 0.756 378 E HN 0.462 nan 8.360 nan 0.000 0.459 379 F N 0.692 120.603 119.950 -0.065 0.000 2.234 379 F HA -0.104 4.422 4.527 -0.000 0.000 0.299 379 F C 2.266 178.072 175.800 0.009 0.000 1.087 379 F CA 1.131 59.153 58.000 0.036 0.000 1.340 379 F CB -0.693 38.342 39.000 0.059 0.000 1.031 379 F HN -0.029 nan 8.300 nan 0.000 0.500 380 T N -0.683 113.955 114.554 0.140 0.000 2.708 380 T HA -0.242 4.107 4.350 -0.000 0.000 0.266 380 T C 1.834 176.559 174.700 0.042 0.000 1.037 380 T CA 1.741 63.885 62.100 0.074 0.000 1.146 380 T CB -0.238 68.655 68.868 0.042 0.000 0.865 380 T HN 0.182 nan 8.240 nan 0.000 0.435 381 E N 1.310 121.509 120.200 -0.001 0.000 2.031 381 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 381 E C 2.328 178.940 176.600 0.020 0.000 0.994 381 E CA 1.667 58.059 56.400 -0.014 0.000 0.800 381 E CB -0.629 29.032 29.700 -0.065 0.000 0.752 381 E HN 0.376 nan 8.360 nan 0.000 0.447 382 V N -0.348 119.590 119.914 0.041 0.000 2.324 382 V HA -0.258 3.862 4.120 -0.000 0.000 0.250 382 V C 2.328 178.484 176.094 0.104 0.000 1.060 382 V CA 2.354 64.715 62.300 0.102 0.000 1.042 382 V CB -1.498 30.439 31.823 0.190 0.000 0.650 382 V HN 0.345 nan 8.190 nan 0.000 0.450 383 A N 0.356 123.244 122.820 0.114 0.000 1.933 383 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 383 A C 1.986 179.600 177.584 0.050 0.000 1.175 383 A CA 2.276 54.362 52.037 0.082 0.000 0.628 383 A CB -0.997 18.049 19.000 0.076 0.000 0.814 383 A HN 0.673 nan 8.150 nan 0.000 0.444 384 D N -0.380 120.045 120.400 0.042 0.000 2.144 384 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 384 D C 1.731 178.046 176.300 0.025 0.000 0.978 384 D CA 1.054 55.070 54.000 0.027 0.000 0.833 384 D CB -0.196 40.616 40.800 0.019 0.000 0.961 384 D HN 0.492 nan 8.370 nan 0.000 0.470 385 I N 0.187 120.775 120.570 0.030 0.000 2.127 385 I HA -0.265 3.905 4.170 -0.000 0.000 0.241 385 I C 2.310 178.444 176.117 0.030 0.000 1.075 385 I CA 0.879 62.196 61.300 0.029 0.000 1.334 385 I CB -0.261 37.759 38.000 0.033 0.000 1.040 385 I HN 0.085 nan 8.210 nan 0.000 0.405 386 I N 0.735 121.328 120.570 0.038 0.000 2.163 386 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 386 I C 2.805 178.936 176.117 0.022 0.000 1.085 386 I CA 1.475 62.795 61.300 0.033 0.000 1.347 386 I CB -0.544 37.480 38.000 0.040 0.000 1.044 386 I HN 0.204 nan 8.210 nan 0.000 0.408 387 A N 0.301 123.133 122.820 0.020 0.000 1.902 387 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 387 A C 2.382 179.972 177.584 0.010 0.000 1.181 387 A CA 2.479 54.523 52.037 0.012 0.000 0.623 387 A CB -1.091 17.915 19.000 0.011 0.000 0.818 387 A HN 0.411 nan 8.150 nan 0.000 0.443 388 T N 0.249 114.810 114.554 0.012 0.000 2.777 388 T HA 0.021 4.371 4.350 -0.000 0.000 0.266 388 T C 2.249 176.955 174.700 0.010 0.000 1.040 388 T CA 1.488 63.594 62.100 0.010 0.000 1.141 388 T CB -0.463 68.412 68.868 0.010 0.000 0.868 388 T HN 0.597 nan 8.240 nan 0.000 0.444 389 A N 1.356 124.184 122.820 0.013 0.000 1.883 389 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 389 A C 2.270 179.861 177.584 0.011 0.000 1.186 389 A CA 1.268 53.313 52.037 0.014 0.000 0.624 389 A CB -0.837 18.174 19.000 0.019 0.000 0.822 389 A HN 0.484 nan 8.150 nan 0.000 0.444 390 L N -1.417 119.811 121.223 0.010 0.000 2.240 390 L HA -0.053 4.287 4.340 -0.000 0.000 0.211 390 L C 2.848 179.720 176.870 0.003 0.000 1.106 390 L CA 0.786 55.629 54.840 0.006 0.000 0.793 390 L CB -0.333 41.728 42.059 0.003 0.000 0.927 390 L HN 0.458 nan 8.230 nan 0.000 0.446 391 A N -0.255 122.567 122.820 0.003 0.000 1.956 391 A HA -0.077 4.243 4.320 -0.000 0.000 0.212 391 A C 2.223 179.808 177.584 0.002 0.000 1.188 391 A CA 1.276 53.313 52.037 0.001 0.000 0.675 391 A CB -0.492 18.509 19.000 0.001 0.000 0.845 391 A HN 0.391 nan 8.150 nan 0.000 0.455 392 T N -3.226 111.330 114.554 0.003 0.000 3.129 392 T HA 0.424 4.774 4.350 -0.000 0.000 0.251 392 T C 1.316 176.018 174.700 0.004 0.000 1.117 392 T CA 1.121 63.223 62.100 0.003 0.000 1.034 392 T CB -0.557 68.314 68.868 0.004 0.000 0.968 392 T HN 1.681 nan 8.240 nan 0.000 0.526 393 G N 1.373 110.175 108.800 0.004 0.000 2.582 393 G HA2 -0.207 3.752 3.960 -0.000 0.000 0.288 393 G HA3 -0.207 3.752 3.960 -0.000 0.000 0.288 393 G C 1.335 176.238 174.900 0.005 0.000 1.247 393 G CA 0.663 45.765 45.100 0.004 0.000 0.972 393 G HN 1.103 nan 8.290 nan 0.000 0.557 394 S N -1.093 114.610 115.700 0.004 0.000 2.402 394 S HA 0.199 4.669 4.470 -0.000 0.000 0.233 394 S C 2.552 177.155 174.600 0.005 0.000 1.030 394 S CA 2.834 61.037 58.200 0.005 0.000 1.003 394 S CB -0.662 62.541 63.200 0.004 0.000 0.813 394 S HN 2.358 nan 8.310 nan 0.000 0.477 395 S N 0.487 116.190 115.700 0.004 0.000 2.754 395 S HA 0.511 4.981 4.470 -0.000 0.000 0.223 395 S C 0.594 175.197 174.600 0.005 0.000 0.951 395 S CA 0.145 58.347 58.200 0.004 0.000 0.954 395 S CB -0.678 62.524 63.200 0.003 0.000 0.780 395 S HN 0.586 nan 8.310 nan 0.000 0.509 396 V N 1.839 121.756 119.914 0.006 0.000 2.470 396 V HA 0.227 4.347 4.120 -0.000 0.000 0.276 396 V C -0.593 175.505 176.094 0.007 0.000 1.040 396 V CA -0.580 61.725 62.300 0.007 0.000 1.008 396 V CB 1.164 32.992 31.823 0.009 0.000 0.990 396 V HN 0.375 nan 8.190 nan 0.000 0.477 397 D N 5.582 125.986 120.400 0.006 0.000 2.483 397 D HA 0.149 4.789 4.640 -0.000 0.000 0.220 397 D C 1.010 177.313 176.300 0.006 0.000 1.173 397 D CA 0.068 54.072 54.000 0.006 0.000 0.964 397 D CB 1.186 41.988 40.800 0.005 0.000 1.046 397 D HN 0.393 nan 8.370 nan 0.000 0.517 398 V N 2.724 122.642 119.914 0.007 0.000 2.332 398 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 398 V C 2.470 178.566 176.094 0.003 0.000 1.055 398 V CA 1.956 64.260 62.300 0.006 0.000 1.038 398 V CB -0.473 31.355 31.823 0.008 0.000 0.651 398 V HN 0.516 nan 8.190 nan 0.000 0.450 399 S N -0.515 115.187 115.700 0.003 0.000 2.368 399 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 399 S C 2.119 176.720 174.600 0.001 0.000 1.030 399 S CA 1.543 59.743 58.200 0.001 0.000 0.999 399 S CB -0.283 62.918 63.200 0.002 0.000 0.844 399 S HN 0.624 nan 8.310 nan 0.000 0.459 400 A N 1.324 124.146 122.820 0.002 0.000 1.898 400 A HA 0.104 4.424 4.320 -0.000 0.000 0.216 400 A C 2.183 179.769 177.584 0.004 0.000 1.181 400 A CA 1.233 53.272 52.037 0.003 0.000 0.620 400 A CB -0.697 18.305 19.000 0.003 0.000 0.819 400 A HN 0.569 nan 8.150 nan 0.000 0.442 401 L N -0.814 120.412 121.223 0.005 0.000 2.093 401 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 401 L C 2.622 179.495 176.870 0.005 0.000 1.085 401 L CA 1.713 56.557 54.840 0.007 0.000 0.755 401 L CB -0.458 41.606 42.059 0.009 0.000 0.904 401 L HN 0.421 nan 8.230 nan 0.000 0.435 402 K N 0.211 120.611 120.400 -0.000 0.000 2.057 402 K HA -0.203 4.117 4.320 -0.000 0.000 0.207 402 K C 1.654 178.254 176.600 0.000 0.000 1.049 402 K CA 1.705 57.988 56.287 -0.005 0.000 0.931 402 K CB 0.022 32.514 32.500 -0.014 0.000 0.714 402 K HN 0.269 nan 8.250 nan 0.000 0.440 403 D N 0.231 120.632 120.400 0.002 0.000 2.144 403 D HA -0.130 4.510 4.640 -0.000 0.000 0.199 403 D C 1.988 178.292 176.300 0.007 0.000 0.984 403 D CA 1.030 55.032 54.000 0.004 0.000 0.834 403 D CB -0.054 40.747 40.800 0.002 0.000 0.955 403 D HN 0.219 nan 8.370 nan 0.000 0.465 404 R N 0.613 121.117 120.500 0.007 0.000 2.096 404 R HA -0.006 4.334 4.340 -0.000 0.000 0.235 404 R C 2.273 178.583 176.300 0.017 0.000 1.127 404 R CA 1.167 57.272 56.100 0.008 0.000 0.968 404 R CB -0.154 30.150 30.300 0.006 0.000 0.861 404 R HN 0.092 nan 8.270 nan 0.000 0.440 405 A N 0.607 123.441 122.820 0.023 0.000 1.898 405 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 405 A C 2.235 179.849 177.584 0.050 0.000 1.181 405 A CA 1.883 53.945 52.037 0.041 0.000 0.620 405 A CB -0.851 18.169 19.000 0.033 0.000 0.819 405 A HN 0.478 nan 8.150 nan 0.000 0.442 406 T N -2.260 112.313 114.554 0.032 0.000 2.867 406 T HA -0.033 4.317 4.350 -0.000 0.000 0.268 406 T C 2.144 176.869 174.700 0.042 0.000 1.057 406 T CA 1.863 63.983 62.100 0.034 0.000 1.136 406 T CB -0.683 68.195 68.868 0.017 0.000 0.874 406 T HN 0.554 nan 8.240 nan 0.000 0.466 407 R N 1.420 121.940 120.500 0.032 0.000 2.083 407 R HA 0.216 4.556 4.340 -0.000 0.000 0.237 407 R C 2.637 178.969 176.300 0.054 0.000 1.137 407 R CA 1.703 57.821 56.100 0.029 0.000 0.951 407 R CB -1.682 28.626 30.300 0.013 0.000 0.851 407 R HN 0.593 nan 8.270 nan 0.000 0.434 408 L N -0.037 121.222 121.223 0.060 0.000 2.017 408 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 408 L C 3.233 180.241 176.870 0.231 0.000 1.073 408 L CA 1.444 56.338 54.840 0.090 0.000 0.745 408 L CB -0.556 41.517 42.059 0.024 0.000 0.894 408 L HN 0.547 nan 8.230 nan 0.000 0.432 409 A N -0.130 122.810 122.820 0.199 0.000 1.883 409 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 409 A C 2.334 180.016 177.584 0.162 0.000 1.186 409 A CA 1.603 53.759 52.037 0.197 0.000 0.624 409 A CB -0.551 18.518 19.000 0.114 0.000 0.822 409 A HN 0.333 nan 8.150 nan 0.000 0.444 410 R N -0.745 119.817 120.500 0.103 0.000 2.152 410 R HA -0.087 4.252 4.340 -0.000 0.000 0.232 410 R C 2.231 178.555 176.300 0.040 0.000 1.117 410 R CA 1.103 57.236 56.100 0.055 0.000 0.981 410 R CB -0.361 29.955 30.300 0.028 0.000 0.870 410 R HN 0.535 nan 8.270 nan 0.000 0.451 411 A N 0.003 122.866 122.820 0.072 0.000 2.072 411 A HA 0.030 4.350 4.320 -0.000 0.000 0.216 411 A C 0.458 177.900 177.584 -0.236 0.000 1.156 411 A CA 0.504 52.507 52.037 -0.056 0.000 0.701 411 A CB 0.216 19.200 19.000 -0.027 0.000 0.816 411 A HN 0.146 nan 8.150 nan 0.000 0.458 412 F N 0.596 120.567 119.950 0.035 0.000 2.453 412 F HA 0.350 4.877 4.527 -0.000 0.000 0.358 412 F C -2.590 173.217 175.800 0.012 0.000 1.129 412 F CA -2.491 55.543 58.000 0.057 0.000 1.200 412 F CB 1.141 40.254 39.000 0.188 0.000 1.431 412 F HN -0.038 nan 8.300 nan 0.000 0.503 413 P HA 0.039 nan 4.420 nan 0.000 0.268 413 P C -0.747 176.534 177.300 -0.031 0.000 1.205 413 P CA -0.119 62.986 63.100 0.008 0.000 0.771 413 P CB 0.994 32.684 31.700 -0.017 0.000 0.858 414 L N 5.259 126.422 121.223 -0.099 0.000 2.307 414 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 414 L C -0.648 176.133 176.870 -0.149 0.000 1.023 414 L CA -0.432 54.249 54.840 -0.264 0.000 0.810 414 L CB -0.116 41.692 42.059 -0.418 0.000 1.231 414 L HN 0.338 nan 8.230 nan 0.000 0.423 415 Y N 1.928 122.190 120.300 -0.064 0.000 3.389 415 Y HA -0.260 4.290 4.550 -0.000 0.000 0.213 415 Y C 0.313 176.102 175.900 -0.185 0.000 1.272 415 Y CA 0.901 58.963 58.100 -0.063 0.000 1.444 415 Y CB -2.067 36.314 38.460 -0.132 0.000 1.445 415 Y HN 0.700 nan 8.280 nan 0.000 0.583 416 D N 0.792 121.209 120.400 0.029 0.000 2.412 416 D HA 0.384 5.024 4.640 -0.000 0.000 0.257 416 D C 1.290 177.550 176.300 -0.067 0.000 1.217 416 D CA 2.016 56.002 54.000 -0.022 0.000 0.897 416 D CB 0.397 41.212 40.800 0.025 0.000 1.132 416 D HN 0.666 nan 8.370 nan 0.000 0.493 417 G N 3.387 112.040 108.800 -0.246 0.000 2.176 417 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.232 417 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.232 417 G C 1.177 175.408 174.900 -1.116 0.000 0.986 417 G CA 0.298 45.175 45.100 -0.372 0.000 0.643 417 G HN 0.570 nan 8.290 nan 0.000 0.522 418 L N 0.488 120.847 121.223 -1.439 0.000 2.089 418 L HA -0.067 4.273 4.340 -0.000 0.000 0.213 418 L C 2.534 178.977 176.870 -0.712 0.000 1.079 418 L CA 2.804 56.718 54.840 -1.544 0.000 0.758 418 L CB -0.150 41.382 42.059 -0.879 0.000 0.891 418 L HN 0.359 nan 8.230 nan 0.000 0.433 419 E N 0.101 120.030 120.200 -0.452 0.000 2.331 419 E HA -0.200 4.150 4.350 -0.000 0.000 0.199 419 E C 1.999 178.506 176.600 -0.156 0.000 1.008 419 E CA 1.301 57.561 56.400 -0.234 0.000 0.843 419 E CB -0.077 29.522 29.700 -0.168 0.000 0.761 419 E HN 0.761 nan 8.360 nan 0.000 0.507 420 E N -0.506 119.585 120.200 -0.182 0.000 2.473 420 E HA 0.041 4.391 4.350 -0.000 0.000 0.204 420 E C -0.213 176.470 176.600 0.137 0.000 0.994 420 E CA -0.256 56.132 56.400 -0.020 0.000 0.945 420 E CB -0.254 29.456 29.700 0.016 0.000 0.990 420 E HN 0.103 nan 8.360 nan 0.000 0.493 421 W N 0.925 122.227 121.300 0.002 0.000 2.181 421 W HA 0.563 5.223 4.660 -0.000 0.000 0.335 421 W C 0.972 177.490 176.519 -0.003 0.000 1.310 421 W CA -1.271 56.076 57.345 0.003 0.000 1.226 421 W CB 0.616 30.080 29.460 0.007 0.000 1.155 421 W HN 0.106 nan 8.180 nan 0.000 0.565 422 S N 1.908 117.735 115.700 0.212 0.000 2.617 422 S HA 0.279 4.749 4.470 -0.000 0.000 0.269 422 S C 1.429 176.083 174.600 0.089 0.000 1.292 422 S CA -0.703 57.563 58.200 0.110 0.000 1.010 422 S CB 0.669 63.908 63.200 0.064 0.000 0.944 422 S HN 0.445 nan 8.310 nan 0.000 0.536 423 L N 2.309 123.567 121.223 0.058 0.000 2.012 423 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 423 L C 0.604 177.487 176.870 0.021 0.000 1.073 423 L CA 0.983 55.846 54.840 0.039 0.000 0.748 423 L CB -0.374 41.699 42.059 0.024 0.000 0.891 423 L HN 0.604 nan 8.230 nan 0.000 0.431 424 V N -3.402 116.520 119.914 0.013 0.000 2.876 424 V HA 0.933 5.053 4.120 -0.000 0.000 0.312 424 V C -0.050 176.041 176.094 -0.005 0.000 1.085 424 V CA -0.321 61.978 62.300 -0.002 0.000 0.945 424 V CB 1.015 32.835 31.823 -0.006 0.000 1.017 424 V HN 0.394 nan 8.190 nan 0.000 0.428 425 G N 0.000 108.789 108.800 -0.018 0.000 5.446 425 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 425 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 425 G CA 0.000 45.087 45.100 -0.021 0.000 0.502 425 G HN 0.000 nan 8.290 nan 0.000 0.925