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 2zp7_1_F DATA FIRST_RESID 5 DATA SEQUENCE SWSEAFGKGA GRIQASTIRE LLKLTQRPGI LSFAGGLPAP ELFPKEEAAE DATA SEQUENCE AAARILREKG EVALQYSPTE GYAPLRAFVA EWIGVRPEEV LITTGSQQAL DATA SEQUENCE DLVGKVFLDE GSPVLLEAPS YMGAIQAFRL QGPRFLTVPA GEEGPDLDAL DATA SEQUENCE EEVLKRERPR FLYLIPSFQN PTGGLTPLPA RKRLLQMVME RGLVVVEDDA DATA SEQUENCE YRELYFGEAR LPSLFELARE AGYPGVIYLG SFSKVLSPGL RVAFAVAHPE DATA SEQUENCE ALQKLVQAKQ GADLHTPMLN QMLVHELLKE GFSERLERVR RVYREKAQAM DATA SEQUENCE LHALDREVPK EVRYTRPKGG MFVWMELPKG LSAEGLFRRA LEENVAFVPG DATA SEQUENCE GPFFANGGGE NTLRLSYATL DREGIAEGVR RLGRALKGLL A 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.402 174.600 -0.330 0.000 1.055 5 S CA 0.000 58.055 58.200 -0.242 0.000 1.107 5 S CB 0.000 63.031 63.200 -0.282 0.000 0.593 6 W N 3.140 124.276 121.300 -0.272 0.000 2.381 6 W HA -0.050 4.614 4.660 0.006 0.000 0.301 6 W C 2.779 178.764 176.519 -0.890 0.000 1.205 6 W CA 1.714 58.716 57.345 -0.571 0.000 1.285 6 W CB -0.303 28.896 29.460 -0.435 0.000 1.133 6 W HN 0.541 nan 8.180 nan 0.000 0.521 7 S N -0.013 115.574 115.700 -0.189 0.000 2.382 7 S HA -0.218 4.257 4.470 0.008 0.000 0.228 7 S C 1.512 176.077 174.600 -0.058 0.000 1.027 7 S CA 1.557 59.732 58.200 -0.043 0.000 0.991 7 S CB -0.475 62.782 63.200 0.095 0.000 0.823 7 S HN 0.220 nan 8.310 nan 0.000 0.469 8 E N 1.676 121.815 120.200 -0.103 0.000 2.204 8 E HA 0.178 4.533 4.350 0.008 0.000 0.194 8 E C 2.178 178.716 176.600 -0.104 0.000 0.989 8 E CA 0.989 57.341 56.400 -0.080 0.000 0.824 8 E CB -0.519 29.128 29.700 -0.087 0.000 0.756 8 E HN 0.705 nan 8.360 nan 0.000 0.477 9 A N 0.130 122.817 122.820 -0.221 0.000 1.968 9 A HA -0.023 4.301 4.320 0.008 0.000 0.217 9 A C 0.352 177.948 177.584 0.021 0.000 1.169 9 A CA 0.372 52.309 52.037 -0.166 0.000 0.638 9 A CB -0.351 18.486 19.000 -0.273 0.000 0.812 9 A HN 0.109 nan 8.150 nan 0.000 0.446 10 F N 0.173 120.208 119.950 0.141 0.000 2.545 10 F HA 0.442 4.973 4.527 0.006 0.000 0.348 10 F C 1.440 177.282 175.800 0.071 0.000 1.163 10 F CA -0.453 57.616 58.000 0.116 0.000 1.331 10 F CB -0.136 38.926 39.000 0.103 0.000 1.138 10 F HN 0.143 nan 8.300 nan 0.000 0.602 11 G N 1.560 110.527 108.800 0.277 0.000 2.563 11 G HA2 0.190 4.154 3.960 0.008 0.000 0.283 11 G HA3 0.190 4.154 3.960 0.008 0.000 0.283 11 G C 0.734 175.706 174.900 0.121 0.000 1.309 11 G CA -0.592 44.599 45.100 0.150 0.000 1.022 11 G HN 0.634 nan 8.290 nan 0.000 0.501 12 K N -0.339 120.107 120.400 0.078 0.000 2.097 12 K HA -0.094 4.231 4.320 0.008 0.000 0.206 12 K C 2.638 179.260 176.600 0.037 0.000 1.049 12 K CA 1.189 57.510 56.287 0.057 0.000 0.933 12 K CB -0.339 32.186 32.500 0.042 0.000 0.717 12 K HN 0.493 nan 8.250 nan 0.000 0.442 13 G N 1.331 110.147 108.800 0.027 0.000 2.475 13 G HA2 -0.308 3.657 3.960 0.008 0.000 0.220 13 G HA3 -0.308 3.657 3.960 0.008 0.000 0.220 13 G C 1.576 176.456 174.900 -0.034 0.000 1.125 13 G CA 1.105 46.206 45.100 0.002 0.000 0.755 13 G HN 0.374 nan 8.290 nan 0.000 0.565 14 A N 0.689 123.478 122.820 -0.053 0.000 1.930 14 A HA 0.206 4.531 4.320 0.008 0.000 0.217 14 A C 2.662 180.181 177.584 -0.108 0.000 1.175 14 A CA 1.918 53.854 52.037 -0.167 0.000 0.627 14 A CB -0.814 18.005 19.000 -0.302 0.000 0.815 14 A HN 0.523 nan 8.150 nan 0.000 0.443 15 G N -0.984 107.804 108.800 -0.019 0.000 2.534 15 G HA2 -0.093 3.872 3.960 0.008 0.000 0.217 15 G HA3 -0.093 3.872 3.960 0.008 0.000 0.217 15 G C 1.573 176.471 174.900 -0.002 0.000 1.128 15 G CA 0.489 45.592 45.100 0.005 0.000 0.784 15 G HN 0.551 nan 8.290 nan 0.000 0.542 16 R N -0.346 120.151 120.500 -0.005 0.000 2.317 16 R HA 0.179 4.524 4.340 0.008 0.000 0.208 16 R C 1.481 177.776 176.300 -0.009 0.000 0.914 16 R CA 0.375 56.482 56.100 0.010 0.000 1.060 16 R CB 0.114 30.431 30.300 0.028 0.000 1.015 16 R HN 0.594 nan 8.270 nan 0.000 0.498 17 I N -4.781 115.762 120.570 -0.045 0.000 4.227 17 I HA 0.217 4.392 4.170 0.008 0.000 0.334 17 I C 1.833 177.900 176.117 -0.084 0.000 1.341 17 I CA 0.121 61.380 61.300 -0.068 0.000 1.123 17 I CB -0.426 37.524 38.000 -0.083 0.000 1.097 17 I HN -0.197 nan 8.210 nan 0.000 0.399 18 Q N 1.999 121.754 119.800 -0.076 0.000 2.592 18 Q HA 0.186 4.530 4.340 0.008 0.000 0.219 18 Q C 1.350 177.305 176.000 -0.074 0.000 0.984 18 Q CA 1.213 56.972 55.803 -0.074 0.000 0.911 18 Q CB -1.842 26.867 28.738 -0.048 0.000 0.962 18 Q HN 0.859 nan 8.270 nan 0.000 0.532 19 A N 0.559 123.329 122.820 -0.083 0.000 2.540 19 A HA 0.416 4.741 4.320 0.008 0.000 0.239 19 A C 0.501 178.020 177.584 -0.108 0.000 1.061 19 A CA 0.526 52.502 52.037 -0.101 0.000 0.758 19 A CB 0.404 19.329 19.000 -0.125 0.000 0.991 19 A HN 0.741 nan 8.150 nan 0.000 0.502 20 S N 2.036 117.670 115.700 -0.110 0.000 2.327 20 S HA 0.236 4.711 4.470 0.008 0.000 0.203 20 S C 0.616 175.146 174.600 -0.117 0.000 1.326 20 S CA -0.107 58.031 58.200 -0.102 0.000 1.248 20 S CB 0.698 63.848 63.200 -0.083 0.000 1.199 20 S HN 0.781 nan 8.310 nan 0.000 0.422 21 T N 0.939 115.408 114.554 -0.142 0.000 3.045 21 T HA 0.206 4.561 4.350 0.008 0.000 0.239 21 T C 1.653 176.274 174.700 -0.132 0.000 1.008 21 T CA 0.237 62.237 62.100 -0.167 0.000 1.143 21 T CB -0.122 68.596 68.868 -0.250 0.000 0.894 21 T HN 0.261 nan 8.240 nan 0.000 0.451 22 I N 2.341 122.837 120.570 -0.123 0.000 2.252 22 I HA -0.105 4.070 4.170 0.008 0.000 0.245 22 I C 2.593 178.688 176.117 -0.036 0.000 1.102 22 I CA 1.192 62.448 61.300 -0.074 0.000 1.385 22 I CB -0.331 37.622 38.000 -0.078 0.000 1.064 22 I HN 0.226 nan 8.210 nan 0.000 0.414 23 R N 0.257 120.729 120.500 -0.046 0.000 2.148 23 R HA -0.086 4.259 4.340 0.008 0.000 0.227 23 R C 1.751 178.041 176.300 -0.018 0.000 1.103 23 R CA 1.016 57.099 56.100 -0.028 0.000 0.983 23 R CB -0.604 29.674 30.300 -0.037 0.000 0.874 23 R HN 0.287 nan 8.270 nan 0.000 0.451 24 E N 1.435 121.615 120.200 -0.033 0.000 2.153 24 E HA -0.122 4.232 4.350 0.008 0.000 0.194 24 E C 2.110 178.718 176.600 0.013 0.000 0.988 24 E CA 1.226 57.611 56.400 -0.024 0.000 0.811 24 E CB -0.030 29.628 29.700 -0.070 0.000 0.746 24 E HN 0.473 nan 8.360 nan 0.000 0.466 25 L N -0.257 120.979 121.223 0.023 0.000 2.023 25 L HA -0.150 4.195 4.340 0.008 0.000 0.205 25 L C 2.222 179.133 176.870 0.068 0.000 1.073 25 L CA 0.593 55.474 54.840 0.068 0.000 0.745 25 L CB -0.525 41.588 42.059 0.090 0.000 0.900 25 L HN 0.066 nan 8.230 nan 0.000 0.435 26 L N -0.082 121.170 121.223 0.048 0.000 2.551 26 L HA -0.034 4.311 4.340 0.008 0.000 0.228 26 L C 0.962 177.854 176.870 0.037 0.000 1.153 26 L CA 1.331 56.199 54.840 0.046 0.000 0.851 26 L CB -0.761 41.317 42.059 0.032 0.000 0.959 26 L HN 0.117 nan 8.230 nan 0.000 0.451 27 K N 0.835 121.255 120.400 0.033 0.000 2.598 27 K HA 0.292 4.616 4.320 0.008 0.000 0.226 27 K C 0.307 176.930 176.600 0.038 0.000 1.156 27 K CA -0.007 56.297 56.287 0.029 0.000 1.122 27 K CB 0.118 32.628 32.500 0.018 0.000 1.739 27 K HN 0.168 nan 8.250 nan 0.000 0.472 28 L N -1.922 119.327 121.223 0.044 0.000 3.366 28 L HA 0.310 4.654 4.340 0.008 0.000 0.304 28 L C 0.090 176.981 176.870 0.036 0.000 1.292 28 L CA -0.428 54.439 54.840 0.045 0.000 1.012 28 L CB 0.551 42.646 42.059 0.061 0.000 1.414 28 L HN -0.027 nan 8.230 nan 0.000 0.603 29 T N -1.043 113.530 114.554 0.031 0.000 3.252 29 T HA 0.116 4.471 4.350 0.008 0.000 0.250 29 T C 0.587 175.297 174.700 0.017 0.000 1.123 29 T CA 0.098 62.214 62.100 0.027 0.000 1.006 29 T CB -0.467 68.416 68.868 0.026 0.000 0.992 29 T HN 0.454 nan 8.240 nan 0.000 0.547 30 Q N 1.537 121.345 119.800 0.013 0.000 2.364 30 Q HA 0.596 4.941 4.340 0.008 0.000 0.267 30 Q C 0.362 176.361 176.000 -0.001 0.000 0.999 30 Q CA 0.201 56.007 55.803 0.004 0.000 0.886 30 Q CB 0.234 28.972 28.738 0.000 0.000 1.243 30 Q HN 0.543 nan 8.270 nan 0.000 0.415 31 R N 1.864 122.361 120.500 -0.004 0.000 2.725 31 R HA 0.596 4.941 4.340 0.008 0.000 0.277 31 R C -2.305 173.989 176.300 -0.011 0.000 0.987 31 R CA -1.237 54.858 56.100 -0.007 0.000 0.901 31 R CB -0.320 29.979 30.300 -0.002 0.000 1.207 31 R HN 0.772 nan 8.270 nan 0.000 0.463 32 P HA 0.185 nan 4.420 nan 0.000 0.281 32 P C 1.261 178.544 177.300 -0.028 0.000 1.291 32 P CA 0.884 63.972 63.100 -0.019 0.000 0.906 32 P CB 0.873 32.563 31.700 -0.016 0.000 1.388 33 G N 1.122 109.906 108.800 -0.028 0.000 2.422 33 G HA2 -0.143 3.822 3.960 0.008 0.000 0.218 33 G HA3 -0.143 3.822 3.960 0.008 0.000 0.218 33 G C 0.579 175.451 174.900 -0.046 0.000 1.146 33 G CA 0.135 45.215 45.100 -0.033 0.000 0.769 33 G HN 0.362 nan 8.290 nan 0.000 0.547 34 I N 1.059 121.597 120.570 -0.054 0.000 2.371 34 I HA 0.329 4.503 4.170 0.008 0.000 0.290 34 I C -0.378 175.682 176.117 -0.095 0.000 1.028 34 I CA -0.562 60.694 61.300 -0.074 0.000 1.345 34 I CB 1.033 38.988 38.000 -0.074 0.000 1.407 34 I HN -0.120 nan 8.210 nan 0.000 0.501 35 L N 7.123 128.266 121.223 -0.133 0.000 2.261 35 L HA 0.325 4.670 4.340 0.008 0.000 0.289 35 L C 0.183 176.863 176.870 -0.316 0.000 1.059 35 L CA -0.144 54.561 54.840 -0.225 0.000 0.816 35 L CB 1.048 42.951 42.059 -0.261 0.000 1.191 35 L HN 0.524 nan 8.230 nan 0.000 0.431 36 S N 2.724 118.267 115.700 -0.263 0.000 2.422 36 S HA 0.415 4.890 4.470 0.008 0.000 0.298 36 S C 0.405 174.898 174.600 -0.180 0.000 1.118 36 S CA -0.487 57.620 58.200 -0.156 0.000 1.083 36 S CB 0.255 63.443 63.200 -0.020 0.000 0.971 36 S HN 0.432 nan 8.310 nan 0.000 0.478 37 F N 2.846 122.902 119.950 0.177 0.000 2.645 37 F HA 0.365 4.897 4.527 0.008 0.000 0.300 37 F C 1.270 177.225 175.800 0.259 0.000 1.115 37 F CA -0.485 57.645 58.000 0.215 0.000 1.355 37 F CB 0.153 39.293 39.000 0.233 0.000 1.026 37 F HN 0.566 nan 8.300 nan 0.000 0.536 38 A N 0.242 123.274 122.820 0.354 0.000 2.286 38 A HA 0.643 4.968 4.320 0.008 0.000 0.286 38 A C 0.739 178.494 177.584 0.285 0.000 1.097 38 A CA 0.103 52.330 52.037 0.317 0.000 0.821 38 A CB -0.100 19.047 19.000 0.246 0.000 1.076 38 A HN 0.549 nan 8.150 nan 0.000 0.490 39 G N -0.339 108.637 108.800 0.293 0.000 3.276 39 G HA2 0.251 4.216 3.960 0.008 0.000 0.679 39 G HA3 0.251 4.216 3.960 0.008 0.000 0.679 39 G C 0.471 175.579 174.900 0.346 0.000 0.911 39 G CA -0.002 45.270 45.100 0.285 0.000 0.797 39 G HN 1.936 nan 8.290 nan 0.000 0.503 40 G N 1.246 110.309 108.800 0.439 0.000 3.316 40 G HA2 0.512 4.477 3.960 0.008 0.000 0.255 40 G HA3 0.512 4.477 3.960 0.008 0.000 0.255 40 G C 0.422 175.462 174.900 0.234 0.000 0.880 40 G CA -0.508 44.816 45.100 0.372 0.000 1.956 40 G HN 0.730 nan 8.290 nan 0.000 0.634 41 L N 2.176 123.523 121.223 0.207 0.000 2.315 41 L HA 0.290 4.635 4.340 0.008 0.000 0.283 41 L C -1.820 175.164 176.870 0.191 0.000 1.089 41 L CA -1.607 53.351 54.840 0.197 0.000 0.833 41 L CB 1.032 43.198 42.059 0.180 0.000 1.170 41 L HN 0.106 nan 8.230 nan 0.000 0.442 42 P HA -0.082 nan 4.420 nan 0.000 0.266 42 P C -0.561 176.789 177.300 0.083 0.000 1.180 42 P CA 0.011 63.267 63.100 0.261 0.000 0.765 42 P CB 0.456 32.378 31.700 0.369 0.000 0.806 43 A N 6.443 129.300 122.820 0.062 0.000 2.537 43 A HA 0.112 4.436 4.320 0.008 0.000 0.260 43 A C -0.904 176.341 177.584 -0.565 0.000 1.082 43 A CA -0.528 51.392 52.037 -0.194 0.000 0.765 43 A CB -0.787 18.045 19.000 -0.281 0.000 1.019 43 A HN 0.450 nan 8.150 nan 0.000 0.507 44 P HA -0.227 nan 4.420 nan 0.000 0.217 44 P C 1.142 178.075 177.300 -0.612 0.000 1.150 44 P CA 1.446 63.924 63.100 -1.036 0.000 0.832 44 P CB 0.075 31.561 31.700 -0.357 0.000 0.787 45 E N -0.116 119.885 120.200 -0.332 0.000 2.333 45 E HA -0.170 4.185 4.350 0.008 0.000 0.200 45 E C 1.568 178.071 176.600 -0.161 0.000 1.010 45 E CA 0.946 57.234 56.400 -0.187 0.000 0.841 45 E CB -0.937 28.677 29.700 -0.143 0.000 0.757 45 E HN 0.201 nan 8.360 nan 0.000 0.508 46 L N 0.330 121.410 121.223 -0.238 0.000 2.446 46 L HA 0.158 4.503 4.340 0.008 0.000 0.219 46 L C 0.309 177.219 176.870 0.066 0.000 1.116 46 L CA 0.222 55.002 54.840 -0.100 0.000 0.844 46 L CB -0.580 41.420 42.059 -0.099 0.000 0.970 46 L HN -0.065 nan 8.230 nan 0.000 0.457 47 F N 2.334 122.300 119.950 0.025 0.000 2.578 47 F HA 0.154 4.686 4.527 0.008 0.000 0.381 47 F C -1.295 174.513 175.800 0.013 0.000 1.069 47 F CA -2.921 55.095 58.000 0.027 0.000 1.231 47 F CB -0.711 38.305 39.000 0.026 0.000 1.086 47 F HN 0.075 nan 8.300 nan 0.000 0.564 48 P HA 0.115 nan 4.420 nan 0.000 0.231 48 P C 0.167 177.503 177.300 0.060 0.000 1.811 48 P CA -0.164 62.993 63.100 0.094 0.000 1.051 48 P CB 0.271 32.004 31.700 0.055 0.000 1.951 49 K N 0.979 121.424 120.400 0.075 0.000 2.025 49 K HA -0.170 4.155 4.320 0.008 0.000 0.207 49 K C 1.724 178.332 176.600 0.014 0.000 1.049 49 K CA 1.365 57.678 56.287 0.044 0.000 0.933 49 K CB 0.006 32.543 32.500 0.063 0.000 0.714 49 K HN 0.208 nan 8.250 nan 0.000 0.438 50 E N 1.443 121.652 120.200 0.015 0.000 2.158 50 E HA -0.111 4.243 4.350 0.008 0.000 0.191 50 E C 1.658 178.253 176.600 -0.009 0.000 0.982 50 E CA 1.122 57.523 56.400 0.002 0.000 0.823 50 E CB 0.157 29.859 29.700 0.004 0.000 0.766 50 E HN 0.235 nan 8.360 nan 0.000 0.468 51 E N -0.165 120.030 120.200 -0.008 0.000 2.051 51 E HA -0.201 4.154 4.350 0.008 0.000 0.192 51 E C 2.005 178.583 176.600 -0.036 0.000 0.991 51 E CA 1.018 57.405 56.400 -0.022 0.000 0.799 51 E CB -0.196 29.492 29.700 -0.020 0.000 0.748 51 E HN 0.341 nan 8.360 nan 0.000 0.449 52 A N 1.547 124.346 122.820 -0.034 0.000 1.883 52 A HA -0.176 4.149 4.320 0.008 0.000 0.217 52 A C 2.415 179.970 177.584 -0.048 0.000 1.186 52 A CA 1.882 53.889 52.037 -0.051 0.000 0.624 52 A CB -0.778 18.190 19.000 -0.053 0.000 0.822 52 A HN 0.310 nan 8.150 nan 0.000 0.444 53 A N -0.629 122.170 122.820 -0.035 0.000 1.908 53 A HA -0.215 4.109 4.320 0.008 0.000 0.218 53 A C 2.114 179.678 177.584 -0.033 0.000 1.181 53 A CA 1.981 53.999 52.037 -0.031 0.000 0.627 53 A CB -0.487 18.500 19.000 -0.021 0.000 0.818 53 A HN 0.549 nan 8.150 nan 0.000 0.445 54 E N 0.324 120.505 120.200 -0.032 0.000 2.047 54 E HA -0.126 4.229 4.350 0.008 0.000 0.191 54 E C 2.243 178.819 176.600 -0.041 0.000 0.987 54 E CA 1.379 57.760 56.400 -0.032 0.000 0.799 54 E CB -0.409 29.273 29.700 -0.029 0.000 0.752 54 E HN 0.441 nan 8.360 nan 0.000 0.449 55 A N 1.215 124.004 122.820 -0.051 0.000 1.933 55 A HA -0.054 4.271 4.320 0.008 0.000 0.218 55 A C 2.413 179.960 177.584 -0.063 0.000 1.175 55 A CA 2.134 54.134 52.037 -0.062 0.000 0.628 55 A CB -0.632 18.319 19.000 -0.082 0.000 0.814 55 A HN 0.363 nan 8.150 nan 0.000 0.444 56 A N -0.130 122.653 122.820 -0.062 0.000 1.873 56 A HA 0.220 4.545 4.320 0.008 0.000 0.215 56 A C 2.520 180.072 177.584 -0.052 0.000 1.186 56 A CA 1.918 53.917 52.037 -0.063 0.000 0.616 56 A CB -1.061 17.903 19.000 -0.061 0.000 0.823 56 A HN 1.031 nan 8.150 nan 0.000 0.442 57 A N -0.239 122.556 122.820 -0.043 0.000 1.908 57 A HA -0.208 4.117 4.320 0.008 0.000 0.218 57 A C 2.269 179.832 177.584 -0.034 0.000 1.181 57 A CA 1.908 53.923 52.037 -0.035 0.000 0.627 57 A CB -0.509 18.474 19.000 -0.029 0.000 0.818 57 A HN 0.550 nan 8.150 nan 0.000 0.445 58 R N -0.689 119.790 120.500 -0.035 0.000 2.092 58 R HA -0.095 4.250 4.340 0.008 0.000 0.231 58 R C 1.858 178.137 176.300 -0.034 0.000 1.119 58 R CA 1.415 57.496 56.100 -0.031 0.000 0.970 58 R CB -0.285 29.997 30.300 -0.031 0.000 0.864 58 R HN 0.423 nan 8.270 nan 0.000 0.440 59 I N 1.190 121.732 120.570 -0.046 0.000 2.163 59 I HA -0.287 3.888 4.170 0.008 0.000 0.243 59 I C 2.203 178.291 176.117 -0.049 0.000 1.085 59 I CA 1.516 62.783 61.300 -0.055 0.000 1.347 59 I CB -0.965 36.985 38.000 -0.084 0.000 1.044 59 I HN 0.284 nan 8.210 nan 0.000 0.408 60 L N -0.523 120.672 121.223 -0.047 0.000 2.240 60 L HA -0.055 4.290 4.340 0.008 0.000 0.211 60 L C 2.661 179.512 176.870 -0.031 0.000 1.106 60 L CA 0.640 55.455 54.840 -0.042 0.000 0.793 60 L CB -0.377 41.656 42.059 -0.043 0.000 0.927 60 L HN 0.137 nan 8.230 nan 0.000 0.446 61 R N -0.103 120.381 120.500 -0.027 0.000 2.090 61 R HA -0.088 4.257 4.340 0.008 0.000 0.228 61 R C 1.833 178.123 176.300 -0.017 0.000 1.110 61 R CA 1.194 57.281 56.100 -0.021 0.000 0.973 61 R CB 0.000 30.289 30.300 -0.019 0.000 0.869 61 R HN 0.450 nan 8.270 nan 0.000 0.440 62 E N -0.204 119.986 120.200 -0.017 0.000 2.251 62 E HA 0.003 4.358 4.350 0.008 0.000 0.194 62 E C 0.435 177.031 176.600 -0.007 0.000 0.964 62 E CA 0.574 56.968 56.400 -0.009 0.000 0.868 62 E CB 0.513 30.210 29.700 -0.006 0.000 0.828 62 E HN 0.093 nan 8.360 nan 0.000 0.481 63 K N 0.194 120.586 120.400 -0.013 0.000 2.972 63 K HA 0.204 4.529 4.320 0.008 0.000 0.209 63 K C 0.941 177.524 176.600 -0.027 0.000 1.128 63 K CA -0.159 56.121 56.287 -0.012 0.000 1.024 63 K CB 1.370 33.867 32.500 -0.005 0.000 0.754 63 K HN 0.047 nan 8.250 nan 0.000 0.454 64 G N 2.049 110.833 108.800 -0.027 0.000 2.408 64 G HA2 -0.258 3.707 3.960 0.008 0.000 0.217 64 G HA3 -0.258 3.707 3.960 0.008 0.000 0.217 64 G C 1.392 176.274 174.900 -0.031 0.000 1.150 64 G CA 0.751 45.832 45.100 -0.033 0.000 0.776 64 G HN 0.405 nan 8.290 nan 0.000 0.542 65 E N 1.163 121.350 120.200 -0.022 0.000 2.409 65 E HA -0.058 4.297 4.350 0.008 0.000 0.198 65 E C 2.259 178.849 176.600 -0.017 0.000 1.024 65 E CA 1.170 57.559 56.400 -0.018 0.000 0.861 65 E CB -0.569 29.125 29.700 -0.010 0.000 0.788 65 E HN 0.434 nan 8.360 nan 0.000 0.521 66 V N 0.104 120.007 119.914 -0.019 0.000 2.795 66 V HA 0.284 4.409 4.120 0.008 0.000 0.243 66 V C 2.222 178.290 176.094 -0.043 0.000 1.069 66 V CA 1.185 63.474 62.300 -0.019 0.000 1.089 66 V CB 0.054 31.878 31.823 0.002 0.000 0.756 66 V HN 0.243 nan 8.190 nan 0.000 0.471 67 A N 0.052 122.836 122.820 -0.060 0.000 2.015 67 A HA 0.023 4.348 4.320 0.008 0.000 0.219 67 A C 1.928 179.482 177.584 -0.049 0.000 1.163 67 A CA 1.844 53.834 52.037 -0.079 0.000 0.646 67 A CB -0.413 18.532 19.000 -0.092 0.000 0.806 67 A HN 0.514 nan 8.150 nan 0.000 0.448 68 L N -1.290 119.906 121.223 -0.046 0.000 2.554 68 L HA 0.247 4.591 4.340 0.008 0.000 0.225 68 L C 0.860 177.690 176.870 -0.067 0.000 1.104 68 L CA 0.607 55.416 54.840 -0.051 0.000 0.866 68 L CB -0.460 41.568 42.059 -0.052 0.000 1.047 68 L HN 0.432 nan 8.230 nan 0.000 0.468 69 Q N -1.277 118.494 119.800 -0.049 0.000 2.221 69 Q HA 0.215 4.559 4.340 0.008 0.000 0.242 69 Q C -0.936 175.058 176.000 -0.010 0.000 0.940 69 Q CA -0.425 55.348 55.803 -0.051 0.000 0.896 69 Q CB 0.668 29.399 28.738 -0.011 0.000 1.226 69 Q HN 0.062 nan 8.270 nan 0.000 0.463 70 Y N 0.588 120.916 120.300 0.048 0.000 2.788 70 Y HA 0.190 4.744 4.550 0.008 0.000 0.341 70 Y C 0.492 176.244 175.900 -0.247 0.000 1.258 70 Y CA 0.860 58.986 58.100 0.044 0.000 1.503 70 Y CB 0.533 39.044 38.460 0.085 0.000 1.325 70 Y HN 0.488 nan 8.280 nan 0.000 0.614 71 S N 2.877 118.253 115.700 -0.540 0.000 2.588 71 S HA 0.526 5.001 4.470 0.008 0.000 0.275 71 S C -2.775 171.601 174.600 -0.373 0.000 1.130 71 S CA -1.595 56.276 58.200 -0.549 0.000 0.855 71 S CB 1.490 64.251 63.200 -0.733 0.000 1.116 71 S HN 0.323 nan 8.310 nan 0.000 0.472 72 P HA 0.137 nan 4.420 nan 0.000 0.267 72 P C 0.518 177.830 177.300 0.020 0.000 1.200 72 P CA 0.048 63.124 63.100 -0.040 0.000 0.772 72 P CB 0.106 31.799 31.700 -0.011 0.000 0.855 73 T N 1.316 115.905 114.554 0.060 0.000 2.759 73 T HA -0.162 4.192 4.350 0.008 0.000 0.269 73 T C 1.375 176.133 174.700 0.096 0.000 1.042 73 T CA 1.737 63.899 62.100 0.103 0.000 1.140 73 T CB -0.375 68.535 68.868 0.071 0.000 0.864 73 T HN 0.498 nan 8.240 nan 0.000 0.455 74 E N 0.505 120.746 120.200 0.068 0.000 2.153 74 E HA 0.275 4.629 4.350 0.008 0.000 0.194 74 E C 1.159 177.814 176.600 0.091 0.000 0.988 74 E CA 0.780 57.221 56.400 0.068 0.000 0.811 74 E CB -0.164 29.562 29.700 0.043 0.000 0.746 74 E HN 0.607 nan 8.360 nan 0.000 0.466 75 G N -0.911 107.948 108.800 0.098 0.000 2.357 75 G HA2 -0.138 3.827 3.960 0.008 0.000 0.643 75 G HA3 -0.138 3.827 3.960 0.008 0.000 0.643 75 G C -1.563 173.419 174.900 0.138 0.000 1.358 75 G CA -0.739 44.441 45.100 0.134 0.000 0.986 75 G HN 0.067 nan 8.290 nan 0.000 0.620 76 Y N 1.910 122.217 120.300 0.012 0.000 2.745 76 Y HA 0.353 4.908 4.550 0.008 0.000 0.335 76 Y C 1.704 177.574 175.900 -0.050 0.000 1.212 76 Y CA 0.983 59.067 58.100 -0.027 0.000 1.535 76 Y CB 0.634 39.075 38.460 -0.032 0.000 1.220 76 Y HN 1.167 nan 8.280 nan 0.000 0.531 77 A N 7.545 130.196 122.820 -0.281 0.000 1.892 77 A HA -0.160 4.164 4.320 0.008 0.000 0.218 77 A C -0.361 176.951 177.584 -0.454 0.000 1.188 77 A CA 1.768 53.627 52.037 -0.297 0.000 0.631 77 A CB -1.756 17.116 19.000 -0.214 0.000 0.822 77 A HN 0.711 nan 8.150 nan 0.000 0.447 78 P HA -0.087 nan 4.420 nan 0.000 0.222 78 P C 1.566 178.375 177.300 -0.818 0.000 1.147 78 P CA 0.516 63.108 63.100 -0.846 0.000 0.790 78 P CB -0.048 30.989 31.700 -1.105 0.000 0.780 79 L N -0.654 120.199 121.223 -0.618 0.000 2.044 79 L HA -0.090 4.255 4.340 0.008 0.000 0.205 79 L C 2.466 179.350 176.870 0.022 0.000 1.075 79 L CA 1.519 56.274 54.840 -0.141 0.000 0.747 79 L CB -0.265 41.874 42.059 0.135 0.000 0.903 79 L HN -0.076 nan 8.230 nan 0.000 0.435 80 R N -0.119 120.365 120.500 -0.027 0.000 2.091 80 R HA -0.173 4.172 4.340 0.008 0.000 0.238 80 R C 2.209 178.506 176.300 -0.004 0.000 1.136 80 R CA 1.414 57.518 56.100 0.006 0.000 0.959 80 R CB -0.606 29.688 30.300 -0.010 0.000 0.856 80 R HN 0.398 nan 8.270 nan 0.000 0.437 81 A N 1.107 123.900 122.820 -0.045 0.000 1.933 81 A HA -0.197 4.128 4.320 0.008 0.000 0.218 81 A C 1.996 179.611 177.584 0.051 0.000 1.175 81 A CA 1.195 53.219 52.037 -0.021 0.000 0.628 81 A CB -0.633 18.332 19.000 -0.058 0.000 0.814 81 A HN 0.378 nan 8.150 nan 0.000 0.444 82 F N 0.597 120.521 119.950 -0.043 0.000 2.102 82 F HA -0.146 4.385 4.527 0.008 0.000 0.298 82 F C 2.216 178.085 175.800 0.116 0.000 1.105 82 F CA 2.017 60.048 58.000 0.052 0.000 1.239 82 F CB -0.267 38.788 39.000 0.092 0.000 0.991 82 F HN 0.027 nan 8.300 nan 0.000 0.474 83 V N 0.884 120.945 119.914 0.246 0.000 2.287 83 V HA -0.340 3.785 4.120 0.008 0.000 0.248 83 V C 2.794 178.839 176.094 -0.081 0.000 1.053 83 V CA 1.804 64.129 62.300 0.042 0.000 1.027 83 V CB -1.661 29.994 31.823 -0.280 0.000 0.646 83 V HN 0.525 nan 8.190 nan 0.000 0.447 84 A N 0.250 123.035 122.820 -0.059 0.000 1.884 84 A HA -0.362 3.963 4.320 0.008 0.000 0.219 84 A C 2.258 179.820 177.584 -0.036 0.000 1.197 84 A CA 2.559 54.566 52.037 -0.050 0.000 0.637 84 A CB -0.644 18.340 19.000 -0.027 0.000 0.827 84 A HN 0.702 nan 8.150 nan 0.000 0.450 85 E N -1.733 118.443 120.200 -0.040 0.000 2.072 85 E HA -0.233 4.122 4.350 0.008 0.000 0.191 85 E C 1.768 178.379 176.600 0.018 0.000 0.985 85 E CA 1.503 57.883 56.400 -0.033 0.000 0.801 85 E CB -0.388 29.272 29.700 -0.067 0.000 0.750 85 E HN 0.710 nan 8.360 nan 0.000 0.452 86 W N 1.268 122.415 121.300 -0.255 0.000 2.358 86 W HA -0.074 4.591 4.660 0.008 0.000 0.303 86 W C 1.634 178.110 176.519 -0.070 0.000 1.208 86 W CA 1.503 58.746 57.345 -0.170 0.000 1.274 86 W CB -0.276 29.068 29.460 -0.192 0.000 1.138 86 W HN 0.160 nan 8.180 nan 0.000 0.515 87 I N -0.030 120.484 120.570 -0.093 0.000 3.228 87 I HA 0.203 4.377 4.170 0.008 0.000 0.279 87 I C 1.628 177.699 176.117 -0.077 0.000 1.221 87 I CA 0.999 62.167 61.300 -0.221 0.000 1.458 87 I CB -0.985 36.825 38.000 -0.317 0.000 1.105 87 I HN 0.131 nan 8.210 nan 0.000 0.445 88 G N 2.637 111.422 108.800 -0.025 0.000 2.255 88 G HA2 -0.151 3.814 3.960 0.008 0.000 0.239 88 G HA3 -0.151 3.814 3.960 0.008 0.000 0.239 88 G C 0.002 174.921 174.900 0.031 0.000 1.083 88 G CA 0.169 45.273 45.100 0.007 0.000 0.826 88 G HN 0.317 nan 8.290 nan 0.000 0.493 89 V N -4.050 115.878 119.914 0.023 0.000 3.145 89 V HA 0.903 5.027 4.120 0.008 0.000 0.311 89 V C 0.524 176.626 176.094 0.013 0.000 1.238 89 V CA -1.929 60.398 62.300 0.045 0.000 1.066 89 V CB 1.330 33.199 31.823 0.076 0.000 1.144 89 V HN 0.341 nan 8.190 nan 0.000 0.465 90 R N 1.213 121.721 120.500 0.014 0.000 2.410 90 R HA 0.456 4.801 4.340 0.008 0.000 0.288 90 R C -1.722 174.575 176.300 -0.005 0.000 1.051 90 R CA -1.530 54.570 56.100 -0.001 0.000 1.021 90 R CB 1.267 31.565 30.300 -0.004 0.000 1.032 90 R HN 0.597 nan 8.270 nan 0.000 0.481 91 P HA -0.270 nan 4.420 nan 0.000 0.217 91 P C 0.384 177.679 177.300 -0.007 0.000 1.151 91 P CA 1.542 64.633 63.100 -0.016 0.000 0.849 91 P CB 0.075 31.759 31.700 -0.027 0.000 0.787 92 E N 0.341 120.536 120.200 -0.008 0.000 2.409 92 E HA -0.154 4.201 4.350 0.008 0.000 0.198 92 E C 1.277 177.879 176.600 0.003 0.000 1.024 92 E CA 0.714 57.111 56.400 -0.004 0.000 0.861 92 E CB -0.630 29.063 29.700 -0.012 0.000 0.788 92 E HN 0.376 nan 8.360 nan 0.000 0.521 93 E N 0.868 121.073 120.200 0.009 0.000 2.479 93 E HA 0.094 4.449 4.350 0.008 0.000 0.193 93 E C -0.483 176.139 176.600 0.037 0.000 1.049 93 E CA -0.092 56.323 56.400 0.025 0.000 0.870 93 E CB 1.036 30.760 29.700 0.039 0.000 0.944 93 E HN 0.052 nan 8.360 nan 0.000 0.492 94 V N 2.241 122.175 119.914 0.033 0.000 2.384 94 V HA 0.240 4.365 4.120 0.008 0.000 0.287 94 V C -0.485 175.659 176.094 0.083 0.000 1.020 94 V CA -0.848 61.486 62.300 0.056 0.000 0.850 94 V CB 1.569 33.404 31.823 0.020 0.000 0.987 94 V HN 0.061 nan 8.190 nan 0.000 0.436 95 L N 6.520 127.814 121.223 0.117 0.000 2.296 95 L HA 0.597 4.941 4.340 0.008 0.000 0.286 95 L C -0.412 176.563 176.870 0.174 0.000 1.023 95 L CA -0.070 54.841 54.840 0.119 0.000 0.812 95 L CB 1.109 43.223 42.059 0.092 0.000 1.223 95 L HN 0.412 nan 8.230 nan 0.000 0.421 96 I N 4.492 125.166 120.570 0.174 0.000 2.396 96 I HA 0.279 4.454 4.170 0.008 0.000 0.289 96 I C 0.696 176.911 176.117 0.165 0.000 1.056 96 I CA 0.008 61.440 61.300 0.219 0.000 1.365 96 I CB 0.670 38.806 38.000 0.227 0.000 1.407 96 I HN 0.762 nan 8.210 nan 0.000 0.509 97 T N 1.323 115.966 114.554 0.148 0.000 2.950 97 T HA 0.417 4.772 4.350 0.008 0.000 0.288 97 T C 0.277 175.028 174.700 0.087 0.000 1.035 97 T CA -0.659 61.495 62.100 0.091 0.000 1.028 97 T CB 1.406 70.300 68.868 0.044 0.000 1.109 97 T HN 0.484 nan 8.240 nan 0.000 0.514 98 T N 2.150 116.739 114.554 0.058 0.000 3.945 98 T HA 0.568 4.922 4.350 0.008 0.000 0.306 98 T C 0.779 175.499 174.700 0.033 0.000 1.475 98 T CA 0.292 62.421 62.100 0.048 0.000 1.177 98 T CB -1.085 67.800 68.868 0.028 0.000 1.272 98 T HN 1.367 nan 8.240 nan 0.000 0.930 99 G N 1.228 110.050 108.800 0.037 0.000 2.733 99 G HA2 -0.210 3.754 3.960 0.008 0.000 0.686 99 G HA3 -0.210 3.754 3.960 0.008 0.000 0.686 99 G C 0.775 175.657 174.900 -0.030 0.000 1.373 99 G CA -0.447 44.656 45.100 0.006 0.000 0.838 99 G HN 0.332 nan 8.290 nan 0.000 0.588 100 S N -0.113 115.542 115.700 -0.076 0.000 2.474 100 S HA -0.116 4.359 4.470 0.008 0.000 0.235 100 S C 2.192 176.782 174.600 -0.017 0.000 0.997 100 S CA 1.904 60.045 58.200 -0.099 0.000 0.949 100 S CB -0.051 63.047 63.200 -0.171 0.000 0.766 100 S HN 0.784 nan 8.310 nan 0.000 0.517 101 Q N 2.065 121.874 119.800 0.015 0.000 2.084 101 Q HA -0.145 4.200 4.340 0.008 0.000 0.202 101 Q C 2.073 178.075 176.000 0.003 0.000 0.978 101 Q CA 1.858 57.678 55.803 0.027 0.000 0.844 101 Q CB -0.478 28.278 28.738 0.029 0.000 0.898 101 Q HN 0.654 nan 8.270 nan 0.000 0.426 102 Q N -0.818 118.985 119.800 0.004 0.000 2.077 102 Q HA -0.224 4.120 4.340 0.008 0.000 0.206 102 Q C 1.863 177.873 176.000 0.017 0.000 0.989 102 Q CA 1.982 57.790 55.803 0.009 0.000 0.853 102 Q CB -0.420 28.327 28.738 0.014 0.000 0.907 102 Q HN 0.474 nan 8.270 nan 0.000 0.418 103 A N 0.628 123.454 122.820 0.009 0.000 1.908 103 A HA -0.172 4.152 4.320 0.008 0.000 0.218 103 A C 2.073 179.687 177.584 0.050 0.000 1.181 103 A CA 1.439 53.486 52.037 0.015 0.000 0.627 103 A CB -0.765 18.220 19.000 -0.026 0.000 0.818 103 A HN 0.484 nan 8.150 nan 0.000 0.445 104 L N -0.646 120.609 121.223 0.052 0.000 2.083 104 L HA -0.210 4.134 4.340 0.008 0.000 0.209 104 L C 2.421 179.379 176.870 0.148 0.000 1.083 104 L CA 1.768 56.668 54.840 0.099 0.000 0.752 104 L CB -0.557 41.466 42.059 -0.060 0.000 0.899 104 L HN 0.500 nan 8.230 nan 0.000 0.433 105 D N 0.191 120.630 120.400 0.065 0.000 2.097 105 D HA -0.182 4.463 4.640 0.008 0.000 0.195 105 D C 2.257 178.614 176.300 0.094 0.000 0.989 105 D CA 1.310 55.352 54.000 0.070 0.000 0.827 105 D CB 0.009 40.823 40.800 0.022 0.000 0.966 105 D HN 0.192 nan 8.370 nan 0.000 0.456 106 L N -0.299 120.965 121.223 0.068 0.000 2.056 106 L HA -0.120 4.225 4.340 0.008 0.000 0.207 106 L C 2.656 179.557 176.870 0.052 0.000 1.078 106 L CA 0.585 55.451 54.840 0.044 0.000 0.749 106 L CB -0.538 41.538 42.059 0.028 0.000 0.901 106 L HN 0.036 nan 8.230 nan 0.000 0.433 107 V N 0.549 120.518 119.914 0.093 0.000 2.332 107 V HA -0.251 3.874 4.120 0.008 0.000 0.248 107 V C 2.678 178.872 176.094 0.166 0.000 1.055 107 V CA 2.098 64.466 62.300 0.113 0.000 1.038 107 V CB -1.366 30.432 31.823 -0.041 0.000 0.651 107 V HN 0.588 nan 8.190 nan 0.000 0.450 108 G N -0.226 108.722 108.800 0.247 0.000 2.491 108 G HA2 -0.295 3.669 3.960 0.008 0.000 0.218 108 G HA3 -0.295 3.669 3.960 0.008 0.000 0.218 108 G C 1.658 176.654 174.900 0.160 0.000 1.180 108 G CA 1.151 46.423 45.100 0.287 0.000 0.774 108 G HN 0.488 nan 8.290 nan 0.000 0.562 109 K N -0.354 120.103 120.400 0.095 0.000 2.057 109 K HA 0.014 4.339 4.320 0.008 0.000 0.207 109 K C 2.535 179.116 176.600 -0.032 0.000 1.049 109 K CA 1.069 57.373 56.287 0.029 0.000 0.931 109 K CB -0.251 32.254 32.500 0.010 0.000 0.714 109 K HN 0.217 nan 8.250 nan 0.000 0.440 110 V N 0.100 119.951 119.914 -0.105 0.000 2.591 110 V HA -0.120 4.005 4.120 0.008 0.000 0.249 110 V C 1.284 177.117 176.094 -0.435 0.000 1.053 110 V CA 1.498 63.600 62.300 -0.330 0.000 1.068 110 V CB -0.236 31.274 31.823 -0.522 0.000 0.689 110 V HN 0.180 nan 8.190 nan 0.000 0.462 111 F N -1.290 118.680 119.950 0.033 0.000 2.727 111 F HA 0.412 4.943 4.527 0.007 0.000 0.302 111 F C 0.658 176.500 175.800 0.070 0.000 1.107 111 F CA -0.074 57.977 58.000 0.084 0.000 1.277 111 F CB 0.331 39.447 39.000 0.192 0.000 1.079 111 F HN -0.057 nan 8.300 nan 0.000 0.594 112 L N 0.416 121.747 121.223 0.179 0.000 2.342 112 L HA 0.516 4.861 4.340 0.008 0.000 0.271 112 L C -0.877 176.006 176.870 0.021 0.000 1.008 112 L CA -0.776 54.105 54.840 0.069 0.000 0.818 112 L CB 1.754 43.830 42.059 0.028 0.000 1.296 112 L HN -0.148 nan 8.230 nan 0.000 0.427 113 D N 0.075 120.468 120.400 -0.012 0.000 2.559 113 D HA 0.146 4.791 4.640 0.008 0.000 0.250 113 D C -0.932 175.348 176.300 -0.034 0.000 1.135 113 D CA -0.599 53.392 54.000 -0.015 0.000 0.955 113 D CB 2.064 42.857 40.800 -0.011 0.000 1.442 113 D HN 0.446 nan 8.370 nan 0.000 0.471 114 E N -0.081 120.105 120.200 -0.023 0.000 2.585 114 E HA 0.231 4.586 4.350 0.008 0.000 0.252 114 E C 0.833 177.411 176.600 -0.036 0.000 0.981 114 E CA 0.835 57.220 56.400 -0.026 0.000 0.943 114 E CB -0.091 29.603 29.700 -0.010 0.000 0.923 114 E HN 0.684 nan 8.360 nan 0.000 0.486 115 G N 3.254 112.022 108.800 -0.053 0.000 2.176 115 G HA2 -0.289 3.675 3.960 0.008 0.000 0.253 115 G HA3 -0.289 3.675 3.960 0.008 0.000 0.253 115 G C 0.303 175.157 174.900 -0.077 0.000 0.979 115 G CA 0.218 45.285 45.100 -0.055 0.000 0.641 115 G HN 0.575 nan 8.290 nan 0.000 0.530 116 S N 2.990 118.633 115.700 -0.095 0.000 2.549 116 S HA 0.440 4.915 4.470 0.008 0.000 0.286 116 S C -1.650 172.845 174.600 -0.175 0.000 1.314 116 S CA -0.136 57.995 58.200 -0.114 0.000 1.062 116 S CB 1.274 64.408 63.200 -0.110 0.000 0.865 116 S HN 0.407 nan 8.310 nan 0.000 0.498 117 P HA 0.254 nan 4.420 nan 0.000 0.281 117 P C -0.963 176.157 177.300 -0.301 0.000 1.252 117 P CA -0.388 62.597 63.100 -0.192 0.000 0.778 117 P CB 0.661 32.288 31.700 -0.123 0.000 0.895 118 V N 2.248 121.932 119.914 -0.383 0.000 2.769 118 V HA 0.596 4.721 4.120 0.008 0.000 0.312 118 V C -0.265 175.674 176.094 -0.259 0.000 1.061 118 V CA -1.241 60.750 62.300 -0.515 0.000 0.931 118 V CB 1.986 33.361 31.823 -0.747 0.000 1.010 118 V HN 0.407 nan 8.190 nan 0.000 0.433 119 L N 4.964 126.053 121.223 -0.225 0.000 2.322 119 L HA 0.868 5.213 4.340 0.008 0.000 0.281 119 L C -0.690 176.229 176.870 0.082 0.000 1.014 119 L CA -0.324 54.495 54.840 -0.035 0.000 0.815 119 L CB 1.314 43.355 42.059 -0.030 0.000 1.247 119 L HN 0.901 nan 8.230 nan 0.000 0.421 120 L N 0.688 122.014 121.223 0.172 0.000 2.502 120 L HA 0.680 5.025 4.340 0.008 0.000 0.253 120 L C -0.984 175.972 176.870 0.144 0.000 1.070 120 L CA -1.058 53.929 54.840 0.245 0.000 0.871 120 L CB 1.878 44.192 42.059 0.425 0.000 1.487 120 L HN 0.497 nan 8.230 nan 0.000 0.408 121 E N 0.509 120.770 120.200 0.102 0.000 2.371 121 E HA 0.565 4.920 4.350 0.008 0.000 0.257 121 E C -0.546 176.043 176.600 -0.018 0.000 1.134 121 E CA -0.391 56.021 56.400 0.020 0.000 0.919 121 E CB 1.351 31.028 29.700 -0.040 0.000 1.025 121 E HN 0.693 nan 8.360 nan 0.000 0.438 122 A N 3.228 126.030 122.820 -0.029 0.000 2.323 122 A HA 0.431 4.756 4.320 0.008 0.000 0.305 122 A C -2.395 175.086 177.584 -0.171 0.000 1.275 122 A CA -1.462 50.527 52.037 -0.080 0.000 0.804 122 A CB 0.514 19.630 19.000 0.194 0.000 1.152 122 A HN 0.324 nan 8.150 nan 0.000 0.487 123 P HA 0.587 nan 4.420 nan 0.000 0.281 123 P C -0.030 177.001 177.300 -0.448 0.000 1.281 123 P CA -0.268 62.274 63.100 -0.930 0.000 0.811 123 P CB 1.934 32.841 31.700 -1.321 0.000 1.154 124 S N -1.427 114.119 115.700 -0.257 0.000 2.790 124 S HA 0.364 4.839 4.470 0.008 0.000 0.292 124 S C -1.560 173.145 174.600 0.176 0.000 1.197 124 S CA -0.536 57.652 58.200 -0.021 0.000 0.851 124 S CB -0.024 63.249 63.200 0.122 0.000 1.217 124 S HN 0.347 nan 8.310 nan 0.000 0.526 125 Y N 2.436 122.824 120.300 0.147 0.000 2.496 125 Y HA 0.308 4.864 4.550 0.009 0.000 0.334 125 Y C 1.129 177.015 175.900 -0.023 0.000 1.080 125 Y CA -0.163 58.027 58.100 0.149 0.000 1.355 125 Y CB 0.769 39.355 38.460 0.210 0.000 1.193 125 Y HN 0.731 nan 8.280 nan 0.000 0.523 126 M N 5.204 124.552 119.600 -0.420 0.000 2.213 126 M HA 0.008 4.493 4.480 0.008 0.000 0.263 126 M C 1.949 177.738 176.300 -0.851 0.000 1.062 126 M CA 2.068 56.961 55.300 -0.678 0.000 1.105 126 M CB -0.988 31.115 32.600 -0.827 0.000 1.385 126 M HN 0.877 nan 8.290 nan 0.000 0.417 127 G N -1.039 106.876 108.800 -1.475 0.000 2.422 127 G HA2 -0.027 3.938 3.960 0.008 0.000 0.218 127 G HA3 -0.027 3.938 3.960 0.008 0.000 0.218 127 G C 1.524 175.901 174.900 -0.871 0.000 1.140 127 G CA 0.907 45.346 45.100 -1.101 0.000 0.775 127 G HN 0.639 nan 8.290 nan 0.000 0.545 128 A N 1.004 123.224 122.820 -1.000 0.000 1.855 128 A HA 0.084 4.408 4.320 0.008 0.000 0.215 128 A C 2.367 179.281 177.584 -1.116 0.000 1.191 128 A CA 1.195 52.568 52.037 -1.107 0.000 0.613 128 A CB -0.406 17.923 19.000 -1.119 0.000 0.829 128 A HN 0.330 nan 8.150 nan 0.000 0.442 129 I N -0.223 119.961 120.570 -0.644 0.000 2.113 129 I HA -0.400 3.774 4.170 0.008 0.000 0.242 129 I C 2.866 178.822 176.117 -0.269 0.000 1.064 129 I CA 2.233 63.298 61.300 -0.391 0.000 1.320 129 I CB -0.490 37.244 38.000 -0.444 0.000 1.028 129 I HN 0.618 nan 8.210 nan 0.000 0.406 130 Q N 1.259 120.848 119.800 -0.352 0.000 2.030 130 Q HA -0.249 4.096 4.340 0.008 0.000 0.204 130 Q C 2.271 178.169 176.000 -0.170 0.000 0.986 130 Q CA 2.368 58.029 55.803 -0.236 0.000 0.843 130 Q CB -0.264 28.314 28.738 -0.267 0.000 0.904 130 Q HN 0.494 nan 8.270 nan 0.000 0.420 131 A N 0.182 122.834 122.820 -0.279 0.000 1.892 131 A HA -0.181 4.144 4.320 0.008 0.000 0.218 131 A C 1.798 179.420 177.584 0.064 0.000 1.188 131 A CA 1.712 53.649 52.037 -0.166 0.000 0.631 131 A CB -0.987 17.847 19.000 -0.275 0.000 0.822 131 A HN 0.551 nan 8.150 nan 0.000 0.447 132 F N -0.602 119.388 119.950 0.066 0.000 2.163 132 F HA 0.030 4.561 4.527 0.006 0.000 0.297 132 F C 2.282 178.143 175.800 0.102 0.000 1.094 132 F CA 0.824 58.891 58.000 0.111 0.000 1.290 132 F CB -1.109 37.989 39.000 0.163 0.000 1.017 132 F HN 0.204 nan 8.300 nan 0.000 0.483 133 R N 0.787 121.538 120.500 0.419 0.000 2.185 133 R HA -0.186 4.159 4.340 0.008 0.000 0.247 133 R C 2.272 178.659 176.300 0.145 0.000 1.159 133 R CA 0.873 57.170 56.100 0.329 0.000 0.988 133 R CB -0.548 29.909 30.300 0.261 0.000 0.871 133 R HN 0.326 nan 8.270 nan 0.000 0.458 134 L N 0.540 121.827 121.223 0.106 0.000 2.187 134 L HA -0.205 4.140 4.340 0.008 0.000 0.213 134 L C 1.305 178.206 176.870 0.051 0.000 1.100 134 L CA 1.490 56.364 54.840 0.056 0.000 0.765 134 L CB -0.156 41.929 42.059 0.043 0.000 0.904 134 L HN 0.378 nan 8.230 nan 0.000 0.437 135 Q N -0.360 119.477 119.800 0.061 0.000 2.425 135 Q HA 0.103 4.447 4.340 0.008 0.000 0.204 135 Q C 1.200 177.198 176.000 -0.003 0.000 0.933 135 Q CA 0.768 56.588 55.803 0.028 0.000 0.939 135 Q CB 0.058 28.815 28.738 0.031 0.000 1.044 135 Q HN 0.557 nan 8.270 nan 0.000 0.513 136 G N 3.012 111.812 108.800 -0.000 0.000 2.298 136 G HA2 -0.196 3.768 3.960 0.008 0.000 0.287 136 G HA3 -0.196 3.768 3.960 0.008 0.000 0.287 136 G C -2.391 172.457 174.900 -0.087 0.000 1.075 136 G CA 0.040 45.130 45.100 -0.016 0.000 0.960 136 G HN 0.242 nan 8.290 nan 0.000 0.502 137 P HA 0.342 nan 4.420 nan 0.000 0.278 137 P C -0.155 176.941 177.300 -0.341 0.000 1.266 137 P CA -0.823 62.089 63.100 -0.315 0.000 0.807 137 P CB 0.894 32.293 31.700 -0.501 0.000 1.094 138 R N 1.238 121.578 120.500 -0.268 0.000 2.220 138 R HA 0.284 4.629 4.340 0.008 0.000 0.340 138 R C -0.522 175.639 176.300 -0.232 0.000 1.076 138 R CA -0.520 55.479 56.100 -0.169 0.000 0.920 138 R CB -0.691 29.562 30.300 -0.079 0.000 1.062 138 R HN 0.293 nan 8.270 nan 0.000 0.469 139 F N 5.653 125.597 119.950 -0.011 0.000 2.541 139 F HA 0.106 4.636 4.527 0.005 0.000 0.378 139 F C 0.232 176.031 175.800 -0.002 0.000 1.068 139 F CA 0.014 58.011 58.000 -0.003 0.000 1.199 139 F CB 0.496 39.514 39.000 0.030 0.000 1.091 139 F HN 0.256 nan 8.300 nan 0.000 0.555 140 L N 3.867 125.169 121.223 0.131 0.000 2.307 140 L HA 0.620 4.964 4.340 0.008 0.000 0.284 140 L C 0.112 177.052 176.870 0.117 0.000 1.023 140 L CA -0.664 54.228 54.840 0.087 0.000 0.810 140 L CB 1.899 43.968 42.059 0.017 0.000 1.231 140 L HN 0.633 nan 8.230 nan 0.000 0.423 141 T N -0.238 114.380 114.554 0.107 0.000 2.916 141 T HA 0.790 5.145 4.350 0.008 0.000 0.292 141 T C -0.830 173.915 174.700 0.075 0.000 1.064 141 T CA -0.839 61.323 62.100 0.104 0.000 1.011 141 T CB 2.356 71.296 68.868 0.120 0.000 1.152 141 T HN 0.257 nan 8.240 nan 0.000 0.510 142 V N 2.296 122.249 119.914 0.065 0.000 2.808 142 V HA 0.548 4.673 4.120 0.008 0.000 0.308 142 V C -2.640 173.482 176.094 0.046 0.000 1.099 142 V CA -2.290 60.038 62.300 0.048 0.000 0.920 142 V CB 2.618 34.460 31.823 0.031 0.000 1.014 142 V HN 0.861 nan 8.190 nan 0.000 0.425 143 P HA 0.253 nan 4.420 nan 0.000 0.268 143 P C -1.021 176.290 177.300 0.018 0.000 1.205 143 P CA 0.088 63.224 63.100 0.060 0.000 0.771 143 P CB 0.583 32.324 31.700 0.068 0.000 0.858 144 A N 3.024 125.838 122.820 -0.010 0.000 2.260 144 A HA 0.667 4.991 4.320 0.008 0.000 0.314 144 A C 0.572 178.134 177.584 -0.035 0.000 1.257 144 A CA -0.129 51.872 52.037 -0.061 0.000 0.871 144 A CB 0.300 19.206 19.000 -0.156 0.000 1.166 144 A HN 0.584 nan 8.150 nan 0.000 0.522 145 G N 0.313 109.099 108.800 -0.022 0.000 2.938 145 G HA2 0.453 4.418 3.960 0.008 0.000 0.258 145 G HA3 0.453 4.418 3.960 0.008 0.000 0.258 145 G C 0.448 175.346 174.900 -0.003 0.000 1.356 145 G CA -0.130 44.973 45.100 0.004 0.000 1.052 145 G HN 0.600 nan 8.290 nan 0.000 0.550 146 E N -0.554 119.658 120.200 0.019 0.000 2.204 146 E HA -0.041 4.314 4.350 0.008 0.000 0.194 146 E C 1.614 178.222 176.600 0.013 0.000 0.989 146 E CA 1.001 57.417 56.400 0.027 0.000 0.824 146 E CB 0.112 29.836 29.700 0.039 0.000 0.756 146 E HN 0.567 nan 8.360 nan 0.000 0.477 147 E N -0.448 119.752 120.200 0.001 0.000 2.349 147 E HA 0.296 4.651 4.350 0.008 0.000 0.201 147 E C 0.324 176.906 176.600 -0.029 0.000 1.087 147 E CA 0.038 56.431 56.400 -0.012 0.000 1.128 147 E CB 0.262 29.958 29.700 -0.008 0.000 1.188 147 E HN 0.349 nan 8.360 nan 0.000 0.445 148 G N 2.301 111.078 108.800 -0.039 0.000 2.512 148 G HA2 -0.242 3.723 3.960 0.008 0.000 0.240 148 G HA3 -0.242 3.723 3.960 0.008 0.000 0.240 148 G C -2.512 172.360 174.900 -0.046 0.000 1.246 148 G CA -0.820 44.246 45.100 -0.058 0.000 0.919 148 G HN 0.153 nan 8.290 nan 0.000 0.577 149 P HA 0.282 nan 4.420 nan 0.000 0.271 149 P C -0.766 176.523 177.300 -0.018 0.000 1.218 149 P CA 0.074 63.155 63.100 -0.030 0.000 0.780 149 P CB 0.689 32.371 31.700 -0.029 0.000 0.901 150 D N 2.397 122.794 120.400 -0.006 0.000 2.344 150 D HA 0.053 4.698 4.640 0.008 0.000 0.253 150 D C 1.145 177.443 176.300 -0.002 0.000 1.255 150 D CA -0.001 53.999 54.000 0.001 0.000 0.894 150 D CB 0.016 40.823 40.800 0.012 0.000 1.067 150 D HN 0.218 nan 8.370 nan 0.000 0.492 151 L N 2.674 123.892 121.223 -0.008 0.000 2.291 151 L HA -0.067 4.278 4.340 0.008 0.000 0.214 151 L C 1.489 178.354 176.870 -0.008 0.000 1.120 151 L CA 0.537 55.370 54.840 -0.011 0.000 0.799 151 L CB -0.037 42.011 42.059 -0.017 0.000 0.925 151 L HN 0.323 nan 8.230 nan 0.000 0.446 152 D N 0.574 120.971 120.400 -0.004 0.000 2.162 152 D HA -0.075 4.570 4.640 0.008 0.000 0.203 152 D C 2.263 178.563 176.300 0.001 0.000 0.967 152 D CA 1.352 55.350 54.000 -0.003 0.000 0.840 152 D CB 0.152 40.952 40.800 -0.001 0.000 0.972 152 D HN 0.258 nan 8.370 nan 0.000 0.482 153 A N 0.737 123.561 122.820 0.006 0.000 2.015 153 A HA -0.095 4.230 4.320 0.008 0.000 0.219 153 A C 2.109 179.698 177.584 0.009 0.000 1.163 153 A CA 0.701 52.745 52.037 0.011 0.000 0.646 153 A CB -0.438 18.573 19.000 0.019 0.000 0.806 153 A HN 0.197 nan 8.150 nan 0.000 0.448 154 L N 0.130 121.355 121.223 0.004 0.000 2.044 154 L HA -0.103 4.241 4.340 0.008 0.000 0.205 154 L C 2.302 179.169 176.870 -0.005 0.000 1.075 154 L CA 2.522 57.362 54.840 0.000 0.000 0.747 154 L CB -0.661 41.396 42.059 -0.004 0.000 0.903 154 L HN 0.576 nan 8.230 nan 0.000 0.435 155 E N -0.388 119.808 120.200 -0.008 0.000 2.086 155 E HA -0.301 4.054 4.350 0.008 0.000 0.200 155 E C 1.872 178.468 176.600 -0.007 0.000 1.012 155 E CA 1.870 58.264 56.400 -0.010 0.000 0.812 155 E CB -0.089 29.605 29.700 -0.011 0.000 0.743 155 E HN 0.557 nan 8.360 nan 0.000 0.453 156 E N 0.160 120.358 120.200 -0.002 0.000 2.085 156 E HA -0.150 4.205 4.350 0.008 0.000 0.194 156 E C 2.335 178.935 176.600 0.000 0.000 0.994 156 E CA 1.046 57.446 56.400 0.000 0.000 0.801 156 E CB -0.301 29.402 29.700 0.004 0.000 0.743 156 E HN 0.230 nan 8.360 nan 0.000 0.453 157 V N 1.177 121.092 119.914 0.002 0.000 2.343 157 V HA -0.227 3.897 4.120 0.008 0.000 0.247 157 V C 2.341 178.431 176.094 -0.007 0.000 1.051 157 V CA 1.189 63.489 62.300 0.000 0.000 1.036 157 V CB -0.383 31.442 31.823 0.004 0.000 0.654 157 V HN 0.158 nan 8.190 nan 0.000 0.451 158 L N -0.417 120.801 121.223 -0.009 0.000 2.376 158 L HA -0.054 4.291 4.340 0.008 0.000 0.219 158 L C 2.211 179.074 176.870 -0.012 0.000 1.133 158 L CA 1.579 56.411 54.840 -0.014 0.000 0.816 158 L CB -0.861 41.189 42.059 -0.016 0.000 0.933 158 L HN 0.291 nan 8.230 nan 0.000 0.449 159 K N -0.944 119.450 120.400 -0.010 0.000 2.155 159 K HA -0.063 4.262 4.320 0.008 0.000 0.203 159 K C 1.888 178.483 176.600 -0.008 0.000 1.052 159 K CA 0.970 57.252 56.287 -0.009 0.000 0.948 159 K CB 0.082 32.578 32.500 -0.007 0.000 0.728 159 K HN 0.141 nan 8.250 nan 0.000 0.448 160 R N -0.148 120.348 120.500 -0.007 0.000 2.308 160 R HA 0.148 4.493 4.340 0.008 0.000 0.202 160 R C -0.251 176.043 176.300 -0.010 0.000 0.898 160 R CA 0.187 56.283 56.100 -0.007 0.000 1.046 160 R CB 0.671 30.969 30.300 -0.003 0.000 1.026 160 R HN -0.040 nan 8.270 nan 0.000 0.512 161 E N -0.091 120.101 120.200 -0.014 0.000 2.343 161 E HA 0.290 4.645 4.350 0.008 0.000 0.278 161 E C -1.447 175.138 176.600 -0.025 0.000 0.910 161 E CA -0.752 55.635 56.400 -0.021 0.000 0.757 161 E CB 1.316 31.002 29.700 -0.023 0.000 1.218 161 E HN -0.074 nan 8.360 nan 0.000 0.435 162 R N 4.340 124.822 120.500 -0.030 0.000 2.332 162 R HA 0.451 4.796 4.340 0.008 0.000 0.306 162 R C -2.287 173.982 176.300 -0.051 0.000 1.117 162 R CA -1.837 54.245 56.100 -0.030 0.000 1.108 162 R CB 0.559 30.849 30.300 -0.018 0.000 1.126 162 R HN 0.283 nan 8.270 nan 0.000 0.548 163 P HA 0.085 nan 4.420 nan 0.000 0.271 163 P C -0.033 177.190 177.300 -0.128 0.000 1.218 163 P CA -0.399 62.623 63.100 -0.131 0.000 0.780 163 P CB 0.827 32.441 31.700 -0.142 0.000 0.901 164 R N 1.715 122.102 120.500 -0.189 0.000 2.148 164 R HA 0.053 4.397 4.340 0.008 0.000 0.227 164 R C 0.785 177.065 176.300 -0.034 0.000 1.103 164 R CA 1.148 57.200 56.100 -0.080 0.000 0.983 164 R CB -0.925 29.363 30.300 -0.020 0.000 0.874 164 R HN 0.683 nan 8.270 nan 0.000 0.451 165 F N -3.525 116.301 119.950 -0.206 0.000 2.773 165 F HA 0.487 5.020 4.527 0.010 0.000 0.314 165 F C -1.545 174.185 175.800 -0.116 0.000 1.160 165 F CA -1.737 56.126 58.000 -0.229 0.000 0.920 165 F CB 0.609 39.370 39.000 -0.399 0.000 1.323 165 F HN -0.358 nan 8.300 nan 0.000 0.457 166 L N 2.661 123.980 121.223 0.159 0.000 2.296 166 L HA 0.429 4.774 4.340 0.008 0.000 0.286 166 L C -1.075 175.990 176.870 0.325 0.000 1.023 166 L CA -0.649 54.274 54.840 0.137 0.000 0.812 166 L CB 1.189 43.291 42.059 0.072 0.000 1.223 166 L HN 0.672 nan 8.230 nan 0.000 0.421 167 Y N 4.960 125.401 120.300 0.235 0.000 2.335 167 Y HA 0.764 5.319 4.550 0.008 0.000 0.339 167 Y C -1.239 174.780 175.900 0.199 0.000 0.987 167 Y CA -0.742 57.557 58.100 0.331 0.000 1.140 167 Y CB 0.741 39.535 38.460 0.556 0.000 1.173 167 Y HN 0.463 nan 8.280 nan 0.000 0.486 168 L N 7.258 128.147 121.223 -0.555 0.000 2.434 168 L HA 0.544 4.889 4.340 0.008 0.000 0.260 168 L C -1.080 175.489 176.870 -0.502 0.000 0.983 168 L CA -0.964 53.614 54.840 -0.438 0.000 0.820 168 L CB 2.693 44.650 42.059 -0.169 0.000 1.361 168 L HN 0.516 nan 8.230 nan 0.000 0.410 169 I N 2.067 122.435 120.570 -0.336 0.000 2.697 169 I HA 0.263 4.438 4.170 0.008 0.000 0.279 169 I C -1.948 174.078 176.117 -0.152 0.000 1.171 169 I CA -1.174 60.002 61.300 -0.208 0.000 1.135 169 I CB 1.114 39.044 38.000 -0.117 0.000 1.445 169 I HN 0.378 nan 8.210 nan 0.000 0.541 170 P HA -0.013 nan 4.420 nan 0.000 0.221 170 P C 0.200 177.353 177.300 -0.244 0.000 1.150 170 P CA 0.939 63.946 63.100 -0.157 0.000 0.800 170 P CB 0.295 31.924 31.700 -0.118 0.000 0.787 171 S N 0.797 116.329 115.700 -0.281 0.000 2.466 171 S HA 0.363 4.838 4.470 0.008 0.000 0.313 171 S C -0.691 173.653 174.600 -0.428 0.000 1.078 171 S CA -0.436 57.407 58.200 -0.595 0.000 1.115 171 S CB -1.033 61.858 63.200 -0.514 0.000 1.006 171 S HN 0.052 nan 8.310 nan 0.000 0.487 172 F N 0.336 120.250 119.950 -0.061 0.000 2.744 172 F HA -0.162 4.369 4.527 0.008 0.000 0.377 172 F C 0.651 176.347 175.800 -0.173 0.000 1.069 172 F CA -0.185 57.731 58.000 -0.140 0.000 1.211 172 F CB -1.999 36.876 39.000 -0.208 0.000 1.606 172 F HN 0.576 nan 8.300 nan 0.000 0.781 173 Q N 1.724 121.511 119.800 -0.022 0.000 2.283 173 Q HA -0.053 4.292 4.340 0.008 0.000 0.301 173 Q C 0.519 176.468 176.000 -0.085 0.000 1.063 173 Q CA 0.220 55.984 55.803 -0.065 0.000 0.952 173 Q CB 0.531 29.194 28.738 -0.125 0.000 1.166 173 Q HN 0.440 nan 8.270 nan 0.000 0.381 174 N N 5.432 124.110 118.700 -0.036 0.000 2.430 174 N HA 0.132 4.877 4.740 0.008 0.000 0.265 174 N C -2.088 173.288 175.510 -0.224 0.000 1.100 174 N CA -1.781 51.202 53.050 -0.111 0.000 0.961 174 N CB 1.108 39.649 38.487 0.090 0.000 1.075 174 N HN 0.396 nan 8.380 nan 0.000 0.478 175 P HA 0.094 nan 4.420 nan 0.000 0.272 175 P C 0.827 177.737 177.300 -0.650 0.000 1.276 175 P CA 0.370 62.925 63.100 -0.908 0.000 0.871 175 P CB 0.225 30.971 31.700 -1.590 0.000 1.313 176 T N -4.200 109.955 114.554 -0.666 0.000 2.985 176 T HA 0.169 4.523 4.350 0.008 0.000 0.266 176 T C 1.696 176.359 174.700 -0.062 0.000 1.076 176 T CA 1.244 63.058 62.100 -0.477 0.000 1.135 176 T CB -1.260 67.276 68.868 -0.552 0.000 0.890 176 T HN 0.187 nan 8.240 nan 0.000 0.480 177 G N 0.957 109.746 108.800 -0.018 0.000 2.159 177 G HA2 -0.090 3.875 3.960 0.008 0.000 0.256 177 G HA3 -0.090 3.875 3.960 0.008 0.000 0.256 177 G C 0.439 175.402 174.900 0.106 0.000 0.977 177 G CA -0.021 45.128 45.100 0.081 0.000 0.652 177 G HN 1.074 nan 8.290 nan 0.000 0.531 178 G N -0.332 108.476 108.800 0.013 0.000 2.380 178 G HA2 0.437 4.402 3.960 0.008 0.000 0.242 178 G HA3 0.437 4.402 3.960 0.008 0.000 0.242 178 G C 0.046 174.937 174.900 -0.014 0.000 1.298 178 G CA -0.141 44.960 45.100 0.001 0.000 0.878 178 G HN 0.780 nan 8.290 nan 0.000 0.542 179 L N 3.011 124.227 121.223 -0.012 0.000 2.294 179 L HA 0.275 4.620 4.340 0.008 0.000 0.283 179 L C 0.211 177.018 176.870 -0.105 0.000 1.015 179 L CA -0.543 54.221 54.840 -0.126 0.000 0.831 179 L CB 1.346 43.377 42.059 -0.046 0.000 1.217 179 L HN 0.444 nan 8.230 nan 0.000 0.420 180 T N 6.565 121.035 114.554 -0.139 0.000 2.769 180 T HA 0.189 4.544 4.350 0.008 0.000 0.293 180 T C -2.234 172.408 174.700 -0.096 0.000 0.931 180 T CA -0.705 61.335 62.100 -0.100 0.000 1.139 180 T CB 0.470 69.278 68.868 -0.100 0.000 0.881 180 T HN 0.433 nan 8.240 nan 0.000 0.532 181 P HA 0.158 nan 4.420 nan 0.000 0.276 181 P C 1.066 178.334 177.300 -0.053 0.000 1.252 181 P CA -0.736 62.333 63.100 -0.053 0.000 0.802 181 P CB 0.764 32.447 31.700 -0.030 0.000 1.035 182 L N 3.108 124.301 121.223 -0.049 0.000 1.990 182 L HA -0.119 4.226 4.340 0.008 0.000 0.213 182 L C -0.897 175.949 176.870 -0.041 0.000 1.072 182 L CA 2.801 57.613 54.840 -0.047 0.000 0.755 182 L CB -2.685 39.349 42.059 -0.042 0.000 0.889 182 L HN 0.331 nan 8.230 nan 0.000 0.432 183 P HA -0.123 nan 4.420 nan 0.000 0.219 183 P C 1.363 178.643 177.300 -0.034 0.000 1.146 183 P CA 1.832 64.914 63.100 -0.031 0.000 0.808 183 P CB -0.176 31.509 31.700 -0.024 0.000 0.779 184 A N -0.421 122.378 122.820 -0.036 0.000 1.935 184 A HA -0.096 4.228 4.320 0.008 0.000 0.214 184 A C 2.210 179.769 177.584 -0.043 0.000 1.178 184 A CA 0.821 52.835 52.037 -0.037 0.000 0.640 184 A CB -0.719 18.259 19.000 -0.037 0.000 0.825 184 A HN 0.040 nan 8.150 nan 0.000 0.447 185 R N 0.233 120.705 120.500 -0.048 0.000 2.073 185 R HA -0.117 4.228 4.340 0.008 0.000 0.234 185 R C 2.132 178.405 176.300 -0.046 0.000 1.134 185 R CA 1.669 57.740 56.100 -0.048 0.000 0.952 185 R CB -0.349 29.920 30.300 -0.052 0.000 0.850 185 R HN 0.455 nan 8.270 nan 0.000 0.433 186 K N 0.365 120.737 120.400 -0.047 0.000 2.032 186 K HA -0.229 4.096 4.320 0.008 0.000 0.209 186 K C 2.224 178.791 176.600 -0.055 0.000 1.048 186 K CA 1.712 57.969 56.287 -0.050 0.000 0.927 186 K CB -0.193 32.279 32.500 -0.045 0.000 0.712 186 K HN 0.028 nan 8.250 nan 0.000 0.441 187 R N 1.117 121.588 120.500 -0.049 0.000 2.073 187 R HA -0.134 4.211 4.340 0.008 0.000 0.234 187 R C 2.153 178.420 176.300 -0.055 0.000 1.134 187 R CA 1.047 57.118 56.100 -0.049 0.000 0.952 187 R CB -0.535 29.742 30.300 -0.039 0.000 0.850 187 R HN 0.031 nan 8.270 nan 0.000 0.433 188 L N 0.747 121.941 121.223 -0.050 0.000 2.013 188 L HA -0.152 4.193 4.340 0.008 0.000 0.212 188 L C 2.169 179.000 176.870 -0.064 0.000 1.073 188 L CA 1.665 56.476 54.840 -0.047 0.000 0.753 188 L CB -1.207 40.830 42.059 -0.038 0.000 0.890 188 L HN 0.424 nan 8.230 nan 0.000 0.432 189 L N -0.723 120.457 121.223 -0.071 0.000 2.042 189 L HA -0.224 4.120 4.340 0.008 0.000 0.210 189 L C 2.553 179.322 176.870 -0.169 0.000 1.076 189 L CA 1.637 56.412 54.840 -0.108 0.000 0.749 189 L CB -0.682 41.324 42.059 -0.088 0.000 0.893 189 L HN 0.360 nan 8.230 nan 0.000 0.432 190 Q N -0.640 119.084 119.800 -0.127 0.000 1.985 190 Q HA -0.280 4.065 4.340 0.008 0.000 0.207 190 Q C 2.206 178.124 176.000 -0.136 0.000 0.996 190 Q CA 2.706 58.433 55.803 -0.127 0.000 0.851 190 Q CB -0.421 28.266 28.738 -0.085 0.000 0.921 190 Q HN 0.605 nan 8.270 nan 0.000 0.418 191 M N -0.434 119.105 119.600 -0.102 0.000 2.358 191 M HA -0.132 4.352 4.480 0.008 0.000 0.264 191 M C 2.205 178.446 176.300 -0.099 0.000 1.064 191 M CA 0.795 56.044 55.300 -0.083 0.000 1.093 191 M CB -0.108 32.459 32.600 -0.056 0.000 1.401 191 M HN -0.021 nan 8.290 nan 0.000 0.440 192 V N 0.113 119.946 119.914 -0.135 0.000 2.331 192 V HA -0.140 3.985 4.120 0.008 0.000 0.242 192 V C 2.316 178.238 176.094 -0.286 0.000 1.034 192 V CA 1.401 63.620 62.300 -0.135 0.000 1.027 192 V CB -0.274 31.506 31.823 -0.072 0.000 0.667 192 V HN 0.448 nan 8.190 nan 0.000 0.457 193 M N 0.326 119.581 119.600 -0.575 0.000 2.106 193 M HA -0.252 4.233 4.480 0.008 0.000 0.259 193 M C 2.205 178.326 176.300 -0.298 0.000 1.068 193 M CA 2.453 57.297 55.300 -0.760 0.000 1.100 193 M CB -0.614 31.578 32.600 -0.680 0.000 1.351 193 M HN 0.594 nan 8.290 nan 0.000 0.404 194 E N 0.477 120.563 120.200 -0.191 0.000 2.208 194 E HA -0.180 4.174 4.350 0.008 0.000 0.193 194 E C 1.587 178.152 176.600 -0.059 0.000 0.988 194 E CA 0.952 57.291 56.400 -0.101 0.000 0.828 194 E CB -0.101 29.550 29.700 -0.082 0.000 0.763 194 E HN 0.514 nan 8.360 nan 0.000 0.478 195 R N -0.236 120.231 120.500 -0.054 0.000 2.397 195 R HA 0.182 4.527 4.340 0.008 0.000 0.241 195 R C 0.649 176.960 176.300 0.020 0.000 0.914 195 R CA 0.401 56.491 56.100 -0.016 0.000 1.071 195 R CB 0.980 31.270 30.300 -0.017 0.000 1.116 195 R HN 0.285 nan 8.270 nan 0.000 0.524 196 G N 1.970 110.799 108.800 0.048 0.000 2.272 196 G HA2 -0.268 3.697 3.960 0.008 0.000 0.280 196 G HA3 -0.268 3.697 3.960 0.008 0.000 0.280 196 G C -0.136 174.859 174.900 0.158 0.000 1.067 196 G CA 0.001 45.195 45.100 0.156 0.000 0.902 196 G HN 0.127 nan 8.290 nan 0.000 0.500 197 L N -0.959 120.360 121.223 0.161 0.000 2.399 197 L HA 0.661 5.006 4.340 0.008 0.000 0.265 197 L C 0.915 177.869 176.870 0.140 0.000 1.089 197 L CA -1.319 53.586 54.840 0.107 0.000 0.802 197 L CB 1.516 43.606 42.059 0.053 0.000 1.180 197 L HN -0.025 nan 8.230 nan 0.000 0.454 198 V N 1.960 121.900 119.914 0.044 0.000 2.509 198 V HA 0.310 4.435 4.120 0.008 0.000 0.284 198 V C -0.004 176.115 176.094 0.041 0.000 1.047 198 V CA -0.574 61.715 62.300 -0.019 0.000 0.952 198 V CB 1.721 33.407 31.823 -0.228 0.000 0.988 198 V HN 0.377 nan 8.190 nan 0.000 0.469 199 V N 5.298 125.246 119.914 0.056 0.000 2.459 199 V HA 0.399 4.524 4.120 0.008 0.000 0.295 199 V C -0.161 175.962 176.094 0.048 0.000 1.029 199 V CA -0.603 61.749 62.300 0.087 0.000 0.874 199 V CB 1.966 33.852 31.823 0.106 0.000 0.985 199 V HN 0.605 nan 8.190 nan 0.000 0.438 200 V N 4.508 124.473 119.914 0.084 0.000 2.333 200 V HA 0.342 4.467 4.120 0.008 0.000 0.274 200 V C 0.191 176.324 176.094 0.065 0.000 1.028 200 V CA -0.404 61.927 62.300 0.052 0.000 0.851 200 V CB 1.238 33.056 31.823 -0.008 0.000 1.000 200 V HN 0.948 nan 8.190 nan 0.000 0.456 201 E N 3.839 124.056 120.200 0.028 0.000 2.081 201 E HA 0.225 4.580 4.350 0.008 0.000 0.276 201 E C -1.047 175.454 176.600 -0.166 0.000 0.950 201 E CA -0.607 55.771 56.400 -0.035 0.000 0.776 201 E CB 0.946 30.709 29.700 0.105 0.000 1.094 201 E HN 0.661 nan 8.360 nan 0.000 0.402 202 D N 3.995 124.276 120.400 -0.198 0.000 2.359 202 D HA 0.101 4.746 4.640 0.008 0.000 0.230 202 D C -0.775 175.374 176.300 -0.252 0.000 1.118 202 D CA -0.339 53.534 54.000 -0.212 0.000 0.844 202 D CB 1.230 42.003 40.800 -0.045 0.000 1.059 202 D HN 0.352 nan 8.370 nan 0.000 0.493 203 D N 2.574 122.737 120.400 -0.396 0.000 2.755 203 D HA 0.286 4.931 4.640 0.008 0.000 0.257 203 D C 1.373 177.513 176.300 -0.266 0.000 1.291 203 D CA -0.221 53.612 54.000 -0.277 0.000 0.836 203 D CB 0.337 40.966 40.800 -0.285 0.000 1.059 203 D HN 0.414 nan 8.370 nan 0.000 0.486 204 A N -0.286 122.335 122.820 -0.332 0.000 1.927 204 A HA -0.231 4.093 4.320 0.008 0.000 0.220 204 A C 1.063 178.329 177.584 -0.531 0.000 1.185 204 A CA 1.341 53.072 52.037 -0.511 0.000 0.639 204 A CB -0.644 17.918 19.000 -0.731 0.000 0.820 204 A HN 0.442 nan 8.150 nan 0.000 0.451 205 Y N -0.867 119.425 120.300 -0.013 0.000 2.625 205 Y HA 0.256 4.811 4.550 0.008 0.000 0.285 205 Y C 1.743 177.766 175.900 0.205 0.000 1.168 205 Y CA -0.041 58.102 58.100 0.073 0.000 1.250 205 Y CB -0.347 38.175 38.460 0.103 0.000 1.130 205 Y HN 0.376 nan 8.280 nan 0.000 0.526 206 R N 1.105 121.733 120.500 0.213 0.000 2.133 206 R HA -0.224 4.121 4.340 0.008 0.000 0.245 206 R C 1.154 177.707 176.300 0.423 0.000 1.137 206 R CA 2.273 58.526 56.100 0.255 0.000 0.947 206 R CB 0.069 30.500 30.300 0.217 0.000 0.865 206 R HN 0.235 nan 8.270 nan 0.000 0.437 207 E N 0.056 120.493 120.200 0.395 0.000 2.474 207 E HA -0.009 4.346 4.350 0.008 0.000 0.194 207 E C 0.430 177.125 176.600 0.159 0.000 1.041 207 E CA 0.206 56.835 56.400 0.383 0.000 0.874 207 E CB 0.403 30.289 29.700 0.312 0.000 0.914 207 E HN 0.262 nan 8.360 nan 0.000 0.498 208 L N 1.961 123.303 121.223 0.198 0.000 3.001 208 L HA 0.096 4.441 4.340 0.008 0.000 0.234 208 L C -0.163 176.518 176.870 -0.315 0.000 1.321 208 L CA -0.301 54.515 54.840 -0.039 0.000 1.138 208 L CB -1.114 40.887 42.059 -0.096 0.000 1.503 208 L HN 0.017 nan 8.230 nan 0.000 0.487 209 Y N -3.901 116.387 120.300 -0.020 0.000 2.304 209 Y HA 0.384 4.938 4.550 0.008 0.000 0.327 209 Y C 0.666 176.528 175.900 -0.064 0.000 1.209 209 Y CA -0.833 57.197 58.100 -0.117 0.000 1.299 209 Y CB 0.236 38.886 38.460 0.315 0.000 1.249 209 Y HN -0.003 nan 8.280 nan 0.000 0.519 210 F N 1.179 121.168 119.950 0.064 0.000 2.714 210 F HA 0.322 4.854 4.527 0.008 0.000 0.294 210 F C 1.617 177.500 175.800 0.138 0.000 1.120 210 F CA -0.478 57.539 58.000 0.028 0.000 1.398 210 F CB -0.711 38.263 39.000 -0.042 0.000 1.120 210 F HN 0.795 nan 8.300 nan 0.000 0.589 211 G N 0.618 109.653 108.800 0.392 0.000 2.525 211 G HA2 0.106 4.071 3.960 0.008 0.000 0.276 211 G HA3 0.106 4.071 3.960 0.008 0.000 0.276 211 G C 0.985 176.080 174.900 0.325 0.000 1.388 211 G CA -0.050 45.232 45.100 0.303 0.000 1.050 211 G HN 0.333 nan 8.290 nan 0.000 0.520 212 E N -0.551 119.773 120.200 0.206 0.000 2.112 212 E HA 0.253 4.608 4.350 0.008 0.000 0.190 212 E C 1.040 177.739 176.600 0.164 0.000 0.979 212 E CA 0.897 57.402 56.400 0.175 0.000 0.814 212 E CB 0.103 29.866 29.700 0.105 0.000 0.762 212 E HN 0.430 nan 8.360 nan 0.000 0.460 213 A N 1.582 124.425 122.820 0.038 0.000 2.479 213 A HA 0.546 4.871 4.320 0.008 0.000 0.296 213 A C -0.736 176.530 177.584 -0.530 0.000 1.121 213 A CA -1.047 50.894 52.037 -0.161 0.000 0.743 213 A CB 1.158 20.107 19.000 -0.086 0.000 1.323 213 A HN 0.206 nan 8.150 nan 0.000 0.415 214 R N 0.803 120.796 120.500 -0.844 0.000 2.441 214 R HA 0.641 4.986 4.340 0.008 0.000 0.284 214 R C -1.016 175.106 176.300 -0.295 0.000 1.070 214 R CA -0.508 55.154 56.100 -0.729 0.000 1.047 214 R CB 0.268 30.160 30.300 -0.681 0.000 1.016 214 R HN 0.510 nan 8.270 nan 0.000 0.477 215 L N 2.868 123.963 121.223 -0.213 0.000 2.452 215 L HA 0.279 4.624 4.340 0.008 0.000 0.267 215 L C -1.764 175.041 176.870 -0.108 0.000 1.188 215 L CA -2.223 52.534 54.840 -0.138 0.000 0.821 215 L CB 0.452 42.430 42.059 -0.135 0.000 1.102 215 L HN 0.502 nan 8.230 nan 0.000 0.470 216 P HA 0.012 nan 4.420 nan 0.000 0.263 216 P C -0.458 176.812 177.300 -0.049 0.000 1.195 216 P CA -0.224 62.840 63.100 -0.060 0.000 0.762 216 P CB 0.514 32.181 31.700 -0.054 0.000 0.799 217 S N 3.244 118.927 115.700 -0.029 0.000 2.584 217 S HA 0.052 4.527 4.470 0.008 0.000 0.270 217 S C 1.281 175.896 174.600 0.025 0.000 1.346 217 S CA -0.487 57.724 58.200 0.019 0.000 1.018 217 S CB 0.212 63.453 63.200 0.067 0.000 0.899 217 S HN 0.158 nan 8.310 nan 0.000 0.542 218 L N 0.850 122.110 121.223 0.060 0.000 2.081 218 L HA -0.003 4.342 4.340 0.008 0.000 0.212 218 L C 2.062 178.982 176.870 0.083 0.000 1.080 218 L CA 1.506 56.382 54.840 0.061 0.000 0.754 218 L CB -1.673 40.432 42.059 0.077 0.000 0.893 218 L HN 0.873 nan 8.230 nan 0.000 0.433 219 F N 0.732 120.673 119.950 -0.014 0.000 2.069 219 F HA -0.258 4.273 4.527 0.008 0.000 0.298 219 F C 2.445 178.177 175.800 -0.113 0.000 1.113 219 F CA 1.931 59.883 58.000 -0.079 0.000 1.214 219 F CB -0.189 38.655 39.000 -0.260 0.000 0.978 219 F HN 0.184 nan 8.300 nan 0.000 0.474 220 E N -0.182 119.987 120.200 -0.052 0.000 2.058 220 E HA -0.250 4.104 4.350 0.008 0.000 0.194 220 E C 2.117 178.635 176.600 -0.136 0.000 0.997 220 E CA 1.450 57.783 56.400 -0.111 0.000 0.801 220 E CB -0.358 29.304 29.700 -0.063 0.000 0.746 220 E HN 0.253 nan 8.360 nan 0.000 0.450 221 L N 0.704 121.870 121.223 -0.095 0.000 1.994 221 L HA -0.167 4.178 4.340 0.008 0.000 0.208 221 L C 2.373 179.185 176.870 -0.096 0.000 1.071 221 L CA 1.983 56.774 54.840 -0.081 0.000 0.745 221 L CB -1.294 40.732 42.059 -0.056 0.000 0.892 221 L HN 0.096 nan 8.230 nan 0.000 0.431 222 A N -0.947 121.809 122.820 -0.108 0.000 1.917 222 A HA -0.274 4.050 4.320 0.008 0.000 0.219 222 A C 2.560 180.049 177.584 -0.159 0.000 1.182 222 A CA 1.961 53.949 52.037 -0.082 0.000 0.633 222 A CB -0.564 18.396 19.000 -0.066 0.000 0.819 222 A HN 0.358 nan 8.150 nan 0.000 0.448 223 R N -0.593 119.723 120.500 -0.308 0.000 2.066 223 R HA -0.132 4.212 4.340 0.008 0.000 0.232 223 R C 2.199 178.410 176.300 -0.148 0.000 1.131 223 R CA 1.626 57.548 56.100 -0.297 0.000 0.955 223 R CB -0.391 29.671 30.300 -0.397 0.000 0.851 223 R HN 0.744 nan 8.270 nan 0.000 0.432 224 E N -0.347 119.781 120.200 -0.119 0.000 2.114 224 E HA -0.217 4.137 4.350 0.008 0.000 0.199 224 E C 1.508 178.076 176.600 -0.054 0.000 1.008 224 E CA 1.631 57.987 56.400 -0.074 0.000 0.810 224 E CB -0.055 29.605 29.700 -0.066 0.000 0.739 224 E HN 0.445 nan 8.360 nan 0.000 0.456 225 A N -0.563 122.226 122.820 -0.051 0.000 2.169 225 A HA 0.210 4.534 4.320 0.008 0.000 0.212 225 A C 1.675 179.258 177.584 -0.001 0.000 1.153 225 A CA 1.008 53.029 52.037 -0.027 0.000 0.756 225 A CB -0.105 18.877 19.000 -0.031 0.000 0.813 225 A HN 0.443 nan 8.150 nan 0.000 0.471 226 G N -2.308 106.487 108.800 -0.009 0.000 2.147 226 G HA2 -0.299 3.666 3.960 0.008 0.000 0.244 226 G HA3 -0.299 3.666 3.960 0.008 0.000 0.244 226 G C -0.095 174.840 174.900 0.060 0.000 1.005 226 G CA 0.358 45.461 45.100 0.006 0.000 0.713 226 G HN 0.777 nan 8.290 nan 0.000 0.515 227 Y N 1.597 121.845 120.300 -0.085 0.000 2.326 227 Y HA 0.582 5.137 4.550 0.008 0.000 0.337 227 Y C -1.427 174.424 175.900 -0.082 0.000 1.023 227 Y CA -2.024 56.032 58.100 -0.073 0.000 1.143 227 Y CB 1.959 40.375 38.460 -0.074 0.000 1.183 227 Y HN 0.026 nan 8.280 nan 0.000 0.485 228 P HA 0.208 nan 4.420 nan 0.000 0.266 228 P C 0.636 177.686 177.300 -0.416 0.000 1.381 228 P CA 0.336 63.251 63.100 -0.309 0.000 0.940 228 P CB 0.464 32.100 31.700 -0.107 0.000 1.435 229 G N -0.035 108.256 108.800 -0.849 0.000 3.181 229 G HA2 0.179 4.143 3.960 0.008 0.000 0.219 229 G HA3 0.179 4.143 3.960 0.008 0.000 0.219 229 G C 0.133 174.981 174.900 -0.086 0.000 1.182 229 G CA 0.078 44.871 45.100 -0.512 0.000 0.791 229 G HN 0.157 nan 8.290 nan 0.000 0.537 230 V N 2.448 122.376 119.914 0.022 0.000 2.370 230 V HA 0.339 4.464 4.120 0.008 0.000 0.283 230 V C -0.536 175.725 176.094 0.279 0.000 1.023 230 V CA -1.008 61.399 62.300 0.178 0.000 0.857 230 V CB 1.667 33.641 31.823 0.251 0.000 0.985 230 V HN 0.028 nan 8.190 nan 0.000 0.443 231 I N 5.310 125.981 120.570 0.169 0.000 2.315 231 I HA 0.311 4.485 4.170 0.008 0.000 0.291 231 I C -0.466 175.731 176.117 0.134 0.000 1.006 231 I CA -0.925 60.460 61.300 0.142 0.000 1.265 231 I CB 0.620 38.638 38.000 0.030 0.000 1.387 231 I HN 0.627 nan 8.210 nan 0.000 0.475 232 Y N 7.371 127.623 120.300 -0.081 0.000 2.331 232 Y HA 0.582 5.137 4.550 0.008 0.000 0.338 232 Y C -0.833 174.941 175.900 -0.210 0.000 0.976 232 Y CA -0.673 57.309 58.100 -0.196 0.000 1.137 232 Y CB 1.119 39.245 38.460 -0.556 0.000 1.172 232 Y HN 0.405 nan 8.280 nan 0.000 0.478 233 L N 6.981 127.773 121.223 -0.719 0.000 2.287 233 L HA 0.772 5.117 4.340 0.008 0.000 0.287 233 L C 0.396 176.599 176.870 -1.110 0.000 1.022 233 L CA -0.741 53.672 54.840 -0.711 0.000 0.814 233 L CB 1.355 43.191 42.059 -0.371 0.000 1.217 233 L HN 0.828 nan 8.230 nan 0.000 0.420 234 G N 0.897 108.858 108.800 -1.398 0.000 2.630 234 G HA2 0.672 4.637 3.960 0.008 0.000 0.296 234 G HA3 0.672 4.637 3.960 0.008 0.000 0.296 234 G C -1.526 172.537 174.900 -1.395 0.000 1.285 234 G CA -0.429 43.778 45.100 -1.488 0.000 0.958 234 G HN 0.464 nan 8.290 nan 0.000 0.479 235 S N -1.433 113.767 115.700 -0.835 0.000 2.579 235 S HA 0.588 5.063 4.470 0.008 0.000 0.272 235 S C -0.915 173.488 174.600 -0.328 0.000 1.141 235 S CA -0.591 57.294 58.200 -0.525 0.000 0.843 235 S CB 1.056 64.064 63.200 -0.320 0.000 1.122 235 S HN 0.386 nan 8.310 nan 0.000 0.468 236 F N 1.692 121.739 119.950 0.163 0.000 2.664 236 F HA 0.326 4.858 4.527 0.008 0.000 0.303 236 F C 2.171 178.043 175.800 0.120 0.000 1.092 236 F CA -0.169 57.950 58.000 0.198 0.000 1.305 236 F CB 0.020 39.124 39.000 0.173 0.000 1.054 236 F HN 0.463 nan 8.300 nan 0.000 0.565 237 S N 0.123 115.920 115.700 0.162 0.000 2.368 237 S HA -0.120 4.355 4.470 0.008 0.000 0.225 237 S C 2.010 176.687 174.600 0.128 0.000 1.030 237 S CA 1.232 59.498 58.200 0.110 0.000 0.999 237 S CB -0.034 63.181 63.200 0.025 0.000 0.844 237 S HN 0.168 nan 8.310 nan 0.000 0.459 238 K N 1.146 121.590 120.400 0.073 0.000 2.393 238 K HA 0.190 4.514 4.320 0.008 0.000 0.193 238 K C 1.432 178.155 176.600 0.206 0.000 1.026 238 K CA 0.386 56.716 56.287 0.072 0.000 1.064 238 K CB 0.113 32.527 32.500 -0.143 0.000 0.833 238 K HN 0.504 nan 8.250 nan 0.000 0.521 239 V N -3.615 116.469 119.914 0.283 0.000 3.502 239 V HA 0.321 4.445 4.120 0.008 0.000 0.288 239 V C 1.324 177.631 176.094 0.354 0.000 1.461 239 V CA -0.108 62.404 62.300 0.353 0.000 1.029 239 V CB 0.048 32.145 31.823 0.456 0.000 0.843 239 V HN 0.081 nan 8.190 nan 0.000 0.438 240 L N -0.637 120.781 121.223 0.325 0.000 2.511 240 L HA 0.566 4.910 4.340 0.008 0.000 0.173 240 L C 0.158 177.156 176.870 0.213 0.000 1.160 240 L CA 1.013 56.001 54.840 0.246 0.000 0.964 240 L CB 1.387 43.544 42.059 0.163 0.000 1.892 240 L HN 0.321 nan 8.230 nan 0.000 0.497 241 S N 0.137 115.926 115.700 0.149 0.000 2.481 241 S HA 0.324 4.799 4.470 0.008 0.000 0.262 241 S C -2.396 172.221 174.600 0.028 0.000 1.061 241 S CA -0.797 57.385 58.200 -0.029 0.000 1.039 241 S CB 1.420 64.528 63.200 -0.154 0.000 1.170 241 S HN 0.077 nan 8.310 nan 0.000 0.437 242 P HA 0.076 nan 4.420 nan 0.000 0.217 242 P C 1.518 178.828 177.300 0.017 0.000 1.151 242 P CA 1.304 64.445 63.100 0.067 0.000 0.828 242 P CB -0.214 31.561 31.700 0.126 0.000 0.788 243 G N 0.085 108.856 108.800 -0.048 0.000 2.534 243 G HA2 -0.125 3.839 3.960 0.008 0.000 0.217 243 G HA3 -0.125 3.839 3.960 0.008 0.000 0.217 243 G C 1.606 176.478 174.900 -0.048 0.000 1.128 243 G CA 0.070 45.138 45.100 -0.053 0.000 0.784 243 G HN 0.220 nan 8.290 nan 0.000 0.542 244 L N -0.639 120.555 121.223 -0.048 0.000 2.291 244 L HA 0.073 4.418 4.340 0.008 0.000 0.214 244 L C 0.853 177.731 176.870 0.013 0.000 1.120 244 L CA -0.007 54.816 54.840 -0.028 0.000 0.799 244 L CB -0.072 41.968 42.059 -0.033 0.000 0.925 244 L HN 0.134 nan 8.230 nan 0.000 0.446 245 R N -0.289 120.231 120.500 0.033 0.000 3.209 245 R HA -0.117 4.228 4.340 0.008 0.000 0.252 245 R C -1.144 175.209 176.300 0.088 0.000 0.958 245 R CA 0.198 56.328 56.100 0.050 0.000 0.651 245 R CB -2.865 27.452 30.300 0.028 0.000 1.142 245 R HN 0.083 nan 8.270 nan 0.000 0.441 246 V N -0.145 119.858 119.914 0.149 0.000 2.443 246 V HA 0.883 5.008 4.120 0.008 0.000 0.293 246 V C 0.482 176.768 176.094 0.320 0.000 1.021 246 V CA -0.054 62.402 62.300 0.259 0.000 0.848 246 V CB 1.877 33.886 31.823 0.311 0.000 0.998 246 V HN 0.641 nan 8.190 nan 0.000 0.424 247 A N 4.738 127.682 122.820 0.206 0.000 2.535 247 A HA 1.101 5.426 4.320 0.008 0.000 0.296 247 A C -1.396 176.263 177.584 0.124 0.000 1.248 247 A CA -0.575 51.455 52.037 -0.011 0.000 0.686 247 A CB 2.101 21.002 19.000 -0.164 0.000 1.315 247 A HN 1.366 nan 8.150 nan 0.000 0.460 248 F N -3.249 116.649 119.950 -0.086 0.000 2.678 248 F HA 0.838 5.370 4.527 0.009 0.000 0.308 248 F C -0.473 175.275 175.800 -0.087 0.000 1.118 248 F CA -0.747 57.231 58.000 -0.037 0.000 0.959 248 F CB 1.241 40.248 39.000 0.012 0.000 1.305 248 F HN 1.046 nan 8.300 nan 0.000 0.443 249 A N 1.678 124.585 122.820 0.145 0.000 2.342 249 A HA 0.854 5.178 4.320 0.008 0.000 0.323 249 A C -1.671 176.001 177.584 0.146 0.000 1.125 249 A CA -0.939 51.137 52.037 0.064 0.000 0.785 249 A CB 1.647 20.666 19.000 0.032 0.000 1.221 249 A HN 0.907 nan 8.150 nan 0.000 0.463 250 V N 1.142 121.106 119.914 0.084 0.000 2.487 250 V HA 0.828 4.953 4.120 0.008 0.000 0.298 250 V C 0.264 176.375 176.094 0.029 0.000 1.028 250 V CA 0.153 62.452 62.300 -0.003 0.000 0.860 250 V CB 1.043 32.729 31.823 -0.228 0.000 0.991 250 V HN 1.513 nan 8.190 nan 0.000 0.427 251 A N 2.526 125.420 122.820 0.124 0.000 2.602 251 A HA 0.630 4.955 4.320 0.008 0.000 0.290 251 A C -0.683 177.031 177.584 0.216 0.000 1.114 251 A CA -0.671 51.495 52.037 0.215 0.000 0.683 251 A CB 1.196 20.303 19.000 0.177 0.000 1.281 251 A HN 0.906 nan 8.150 nan 0.000 0.416 252 H N 1.003 120.148 119.070 0.126 0.000 3.064 252 H HA 0.016 4.577 4.556 0.008 0.000 0.329 252 H C -1.578 173.784 175.328 0.057 0.000 1.020 252 H CA -0.029 56.059 56.048 0.067 0.000 1.402 252 H CB 0.945 30.721 29.762 0.023 0.000 1.379 252 H HN 0.219 nan 8.280 nan 0.000 0.594 253 P HA -0.188 nan 4.420 nan 0.000 0.218 253 P C 1.071 178.389 177.300 0.030 0.000 1.150 253 P CA 1.619 64.648 63.100 -0.118 0.000 0.841 253 P CB 0.213 31.786 31.700 -0.211 0.000 0.784 254 E N -0.931 119.393 120.200 0.207 0.000 2.072 254 E HA -0.101 4.254 4.350 0.008 0.000 0.190 254 E C 2.103 178.790 176.600 0.144 0.000 0.982 254 E CA 1.099 57.620 56.400 0.202 0.000 0.803 254 E CB -0.430 29.420 29.700 0.251 0.000 0.755 254 E HN 0.164 nan 8.360 nan 0.000 0.453 255 A N 1.837 124.779 122.820 0.204 0.000 1.873 255 A HA -0.140 4.185 4.320 0.008 0.000 0.215 255 A C 2.170 179.813 177.584 0.098 0.000 1.186 255 A CA 0.691 52.823 52.037 0.158 0.000 0.616 255 A CB -0.668 18.486 19.000 0.258 0.000 0.823 255 A HN 0.211 nan 8.150 nan 0.000 0.442 256 L N -0.402 120.885 121.223 0.107 0.000 1.997 256 L HA -0.258 4.086 4.340 0.008 0.000 0.216 256 L C 2.618 179.511 176.870 0.039 0.000 1.074 256 L CA 2.369 57.251 54.840 0.070 0.000 0.763 256 L CB -0.936 41.159 42.059 0.060 0.000 0.890 256 L HN 0.437 nan 8.230 nan 0.000 0.434 257 Q N -0.247 119.571 119.800 0.030 0.000 2.135 257 Q HA -0.208 4.137 4.340 0.008 0.000 0.204 257 Q C 2.097 178.094 176.000 -0.006 0.000 0.981 257 Q CA 1.235 57.045 55.803 0.012 0.000 0.856 257 Q CB -0.290 28.454 28.738 0.010 0.000 0.902 257 Q HN 0.416 nan 8.270 nan 0.000 0.425 258 K N 0.602 120.988 120.400 -0.024 0.000 2.097 258 K HA -0.027 4.298 4.320 0.008 0.000 0.206 258 K C 2.245 178.809 176.600 -0.061 0.000 1.049 258 K CA 0.642 56.889 56.287 -0.067 0.000 0.933 258 K CB -0.405 32.010 32.500 -0.142 0.000 0.717 258 K HN 0.253 nan 8.250 nan 0.000 0.442 259 L N 0.229 121.433 121.223 -0.033 0.000 2.056 259 L HA -0.142 4.203 4.340 0.008 0.000 0.207 259 L C 2.359 179.233 176.870 0.006 0.000 1.078 259 L CA 0.654 55.489 54.840 -0.009 0.000 0.749 259 L CB -0.556 41.517 42.059 0.024 0.000 0.901 259 L HN -0.139 nan 8.230 nan 0.000 0.433 260 V N -0.290 119.631 119.914 0.013 0.000 2.295 260 V HA -0.306 3.818 4.120 0.008 0.000 0.246 260 V C 2.476 178.576 176.094 0.011 0.000 1.049 260 V CA 1.784 64.096 62.300 0.021 0.000 1.024 260 V CB -0.560 31.276 31.823 0.022 0.000 0.648 260 V HN 0.501 nan 8.190 nan 0.000 0.447 261 Q N -0.334 119.465 119.800 -0.003 0.000 2.119 261 Q HA -0.124 4.221 4.340 0.008 0.000 0.201 261 Q C 2.426 178.419 176.000 -0.011 0.000 0.972 261 Q CA 1.590 57.388 55.803 -0.009 0.000 0.847 261 Q CB -0.388 28.340 28.738 -0.018 0.000 0.903 261 Q HN 0.674 nan 8.270 nan 0.000 0.433 262 A N 1.780 124.589 122.820 -0.018 0.000 1.902 262 A HA -0.236 4.088 4.320 0.008 0.000 0.217 262 A C 2.036 179.619 177.584 -0.001 0.000 1.181 262 A CA 1.682 53.709 52.037 -0.016 0.000 0.623 262 A CB -0.462 18.523 19.000 -0.026 0.000 0.818 262 A HN 0.237 nan 8.150 nan 0.000 0.443 263 K N -0.454 119.951 120.400 0.009 0.000 2.063 263 K HA -0.260 4.065 4.320 0.008 0.000 0.208 263 K C 2.265 178.878 176.600 0.021 0.000 1.048 263 K CA 1.772 58.072 56.287 0.021 0.000 0.928 263 K CB -0.237 32.285 32.500 0.037 0.000 0.713 263 K HN 0.621 nan 8.250 nan 0.000 0.442 264 Q N -0.371 119.441 119.800 0.020 0.000 2.062 264 Q HA -0.178 4.166 4.340 0.008 0.000 0.209 264 Q C 1.899 177.901 176.000 0.004 0.000 0.996 264 Q CA 2.148 57.961 55.803 0.016 0.000 0.859 264 Q CB -0.407 28.335 28.738 0.007 0.000 0.920 264 Q HN 0.536 nan 8.270 nan 0.000 0.415 265 G N -0.894 107.906 108.800 -0.001 0.000 2.534 265 G HA2 -0.030 3.935 3.960 0.008 0.000 0.217 265 G HA3 -0.030 3.935 3.960 0.008 0.000 0.217 265 G C 1.184 176.083 174.900 -0.002 0.000 1.128 265 G CA 0.674 45.771 45.100 -0.004 0.000 0.784 265 G HN 0.472 nan 8.290 nan 0.000 0.542 266 A N 1.127 123.948 122.820 0.001 0.000 1.887 266 A HA 0.234 4.559 4.320 0.008 0.000 0.212 266 A C 1.715 179.297 177.584 -0.004 0.000 1.198 266 A CA 1.888 53.925 52.037 0.000 0.000 0.628 266 A CB 0.173 19.176 19.000 0.004 0.000 0.847 266 A HN 0.388 nan 8.150 nan 0.000 0.449 267 D N -2.676 117.721 120.400 -0.005 0.000 2.523 267 D HA 0.249 4.893 4.640 0.008 0.000 0.269 267 D C 0.745 177.021 176.300 -0.039 0.000 1.374 267 D CA 0.339 54.326 54.000 -0.023 0.000 0.820 267 D CB -0.468 40.312 40.800 -0.033 0.000 1.211 267 D HN 0.303 nan 8.370 nan 0.000 0.502 268 L N -0.483 120.739 121.223 -0.003 0.000 3.370 268 L HA -0.293 4.052 4.340 0.008 0.000 0.308 268 L C 0.185 177.137 176.870 0.136 0.000 4.222 268 L CA 2.138 57.002 54.840 0.041 0.000 1.163 268 L CB -1.874 40.208 42.059 0.039 0.000 3.373 268 L HN 0.651 nan 8.230 nan 0.000 0.809 269 H N -1.805 117.305 119.070 0.067 0.000 3.068 269 H HA 0.391 4.952 4.556 0.008 0.000 0.342 269 H C -0.941 174.428 175.328 0.069 0.000 1.284 269 H CA -0.182 55.908 56.048 0.071 0.000 1.181 269 H CB 1.151 30.964 29.762 0.086 0.000 1.898 269 H HN -0.012 nan 8.280 nan 0.000 0.540 270 T N 4.667 119.321 114.554 0.167 0.000 2.928 270 T HA 0.131 4.485 4.350 0.008 0.000 0.305 270 T C -2.252 172.562 174.700 0.191 0.000 1.035 270 T CA -0.603 61.567 62.100 0.117 0.000 1.145 270 T CB 0.344 69.292 68.868 0.134 0.000 0.963 270 T HN 0.381 nan 8.240 nan 0.000 0.545 271 P HA 0.032 nan 4.420 nan 0.000 0.264 271 P C 0.674 178.035 177.300 0.102 0.000 1.183 271 P CA -0.163 62.999 63.100 0.103 0.000 0.763 271 P CB 0.526 32.235 31.700 0.015 0.000 0.807 272 M N 4.291 123.948 119.600 0.096 0.000 2.132 272 M HA -0.091 4.394 4.480 0.008 0.000 0.263 272 M C 1.935 178.146 176.300 -0.148 0.000 1.065 272 M CA 1.521 56.797 55.300 -0.040 0.000 1.122 272 M CB -1.101 31.459 32.600 -0.067 0.000 1.365 272 M HN 0.297 nan 8.290 nan 0.000 0.411 273 L N 0.089 121.249 121.223 -0.106 0.000 1.997 273 L HA -0.369 3.975 4.340 0.008 0.000 0.216 273 L C 1.956 178.751 176.870 -0.126 0.000 1.074 273 L CA 2.002 56.767 54.840 -0.124 0.000 0.763 273 L CB -0.743 41.267 42.059 -0.081 0.000 0.890 273 L HN 0.502 nan 8.230 nan 0.000 0.434 274 N N -0.782 117.871 118.700 -0.079 0.000 2.120 274 N HA -0.242 4.502 4.740 0.008 0.000 0.188 274 N C 1.665 177.134 175.510 -0.068 0.000 1.024 274 N CA 1.476 54.490 53.050 -0.060 0.000 0.852 274 N CB -0.156 38.321 38.487 -0.017 0.000 1.003 274 N HN 0.591 nan 8.380 nan 0.000 0.424 275 Q N 0.568 120.330 119.800 -0.063 0.000 2.083 275 Q HA 0.016 4.361 4.340 0.008 0.000 0.198 275 Q C 2.132 178.062 176.000 -0.117 0.000 0.969 275 Q CA 1.020 56.806 55.803 -0.027 0.000 0.838 275 Q CB -0.074 28.699 28.738 0.059 0.000 0.900 275 Q HN 0.416 nan 8.270 nan 0.000 0.436 276 M N 0.170 119.540 119.600 -0.383 0.000 2.117 276 M HA -0.158 4.326 4.480 0.008 0.000 0.262 276 M C 2.176 178.374 176.300 -0.171 0.000 1.065 276 M CA 1.013 56.034 55.300 -0.466 0.000 1.114 276 M CB -0.324 31.915 32.600 -0.601 0.000 1.361 276 M HN 0.192 nan 8.290 nan 0.000 0.408 277 L N 0.343 121.465 121.223 -0.170 0.000 2.012 277 L HA -0.140 4.204 4.340 0.008 0.000 0.210 277 L C 2.268 179.031 176.870 -0.179 0.000 1.073 277 L CA 1.675 56.427 54.840 -0.146 0.000 0.748 277 L CB -0.686 41.298 42.059 -0.125 0.000 0.891 277 L HN 0.026 nan 8.230 nan 0.000 0.431 278 V N -0.370 119.423 119.914 -0.202 0.000 2.295 278 V HA -0.363 3.762 4.120 0.008 0.000 0.246 278 V C 2.603 178.430 176.094 -0.444 0.000 1.049 278 V CA 2.114 64.204 62.300 -0.350 0.000 1.024 278 V CB -0.946 30.616 31.823 -0.435 0.000 0.648 278 V HN 0.686 nan 8.190 nan 0.000 0.447 279 H N -0.127 118.710 119.070 -0.388 0.000 2.319 279 H HA -0.174 4.387 4.556 0.008 0.000 0.299 279 H C 2.374 177.495 175.328 -0.345 0.000 1.092 279 H CA 1.747 57.554 56.048 -0.403 0.000 1.302 279 H CB 0.252 29.980 29.762 -0.057 0.000 1.373 279 H HN 0.380 nan 8.280 nan 0.000 0.497 280 E N 0.762 120.777 120.200 -0.307 0.000 2.153 280 E HA -0.121 4.234 4.350 0.008 0.000 0.194 280 E C 2.602 179.022 176.600 -0.300 0.000 0.988 280 E CA 0.456 56.675 56.400 -0.302 0.000 0.811 280 E CB -0.117 29.487 29.700 -0.160 0.000 0.746 280 E HN 0.556 nan 8.360 nan 0.000 0.466 281 L N -0.341 120.701 121.223 -0.302 0.000 2.240 281 L HA -0.120 4.225 4.340 0.008 0.000 0.211 281 L C 1.858 178.547 176.870 -0.303 0.000 1.106 281 L CA 0.435 55.123 54.840 -0.254 0.000 0.793 281 L CB 0.011 41.937 42.059 -0.220 0.000 0.927 281 L HN 0.108 nan 8.230 nan 0.000 0.446 282 L N -0.708 120.212 121.223 -0.506 0.000 2.672 282 L HA 0.025 4.369 4.340 0.008 0.000 0.236 282 L C 2.245 178.813 176.870 -0.503 0.000 1.092 282 L CA 0.882 55.346 54.840 -0.626 0.000 0.887 282 L CB -0.229 41.126 42.059 -1.172 0.000 1.168 282 L HN 0.184 nan 8.230 nan 0.000 0.502 283 K N -0.400 119.676 120.400 -0.540 0.000 2.281 283 K HA -0.072 4.253 4.320 0.008 0.000 0.203 283 K C -0.054 176.528 176.600 -0.029 0.000 1.046 283 K CA 0.978 57.107 56.287 -0.264 0.000 0.938 283 K CB 0.037 32.266 32.500 -0.452 0.000 0.737 283 K HN 0.182 nan 8.250 nan 0.000 0.458 284 E N -0.154 120.009 120.200 -0.061 0.000 2.248 284 E HA 0.249 4.604 4.350 0.008 0.000 0.267 284 E C -0.035 176.589 176.600 0.041 0.000 0.877 284 E CA -0.253 56.153 56.400 0.009 0.000 0.759 284 E CB 1.834 31.522 29.700 -0.020 0.000 1.182 284 E HN 0.334 nan 8.360 nan 0.000 0.418 285 G N 2.270 111.120 108.800 0.082 0.000 2.155 285 G HA2 -0.345 3.620 3.960 0.008 0.000 0.257 285 G HA3 -0.345 3.620 3.960 0.008 0.000 0.257 285 G C 0.561 175.555 174.900 0.157 0.000 0.983 285 G CA 0.471 45.625 45.100 0.089 0.000 0.676 285 G HN 0.545 nan 8.290 nan 0.000 0.528 286 F N 2.119 122.070 119.950 0.001 0.000 2.095 286 F HA -0.078 4.454 4.527 0.008 0.000 0.298 286 F C 2.482 178.283 175.800 0.001 0.000 1.104 286 F CA 2.205 60.201 58.000 -0.007 0.000 1.232 286 F CB -0.753 38.256 39.000 0.016 0.000 0.987 286 F HN 0.213 nan 8.300 nan 0.000 0.475 287 S N 0.110 115.783 115.700 -0.046 0.000 2.370 287 S HA -0.220 4.255 4.470 0.008 0.000 0.226 287 S C 1.748 176.309 174.600 -0.064 0.000 1.033 287 S CA 1.629 59.753 58.200 -0.127 0.000 1.011 287 S CB -0.307 62.873 63.200 -0.033 0.000 0.852 287 S HN 0.393 nan 8.310 nan 0.000 0.457 288 E N 0.965 121.165 120.200 -0.000 0.000 2.072 288 E HA -0.049 4.306 4.350 0.008 0.000 0.191 288 E C 2.078 178.688 176.600 0.016 0.000 0.985 288 E CA 0.727 57.134 56.400 0.012 0.000 0.801 288 E CB -0.219 29.497 29.700 0.027 0.000 0.750 288 E HN 0.388 nan 8.360 nan 0.000 0.452 289 R N 0.179 120.706 120.500 0.045 0.000 2.083 289 R HA -0.158 4.187 4.340 0.008 0.000 0.237 289 R C 1.786 178.110 176.300 0.041 0.000 1.137 289 R CA 1.169 57.314 56.100 0.074 0.000 0.951 289 R CB -0.278 30.127 30.300 0.174 0.000 0.851 289 R HN 0.128 nan 8.270 nan 0.000 0.434 290 L N 1.096 122.297 121.223 -0.038 0.000 2.083 290 L HA -0.119 4.226 4.340 0.008 0.000 0.209 290 L C 2.188 179.032 176.870 -0.044 0.000 1.083 290 L CA 1.758 56.557 54.840 -0.069 0.000 0.752 290 L CB -0.788 41.131 42.059 -0.234 0.000 0.899 290 L HN 0.241 nan 8.230 nan 0.000 0.433 291 E N -0.855 119.321 120.200 -0.040 0.000 2.152 291 E HA -0.166 4.189 4.350 0.008 0.000 0.192 291 E C 2.411 179.000 176.600 -0.018 0.000 0.983 291 E CA 0.573 56.955 56.400 -0.031 0.000 0.818 291 E CB 0.024 29.717 29.700 -0.012 0.000 0.758 291 E HN 0.235 nan 8.360 nan 0.000 0.467 292 R N -0.082 120.414 120.500 -0.007 0.000 2.073 292 R HA -0.103 4.242 4.340 0.008 0.000 0.229 292 R C 2.305 178.596 176.300 -0.015 0.000 1.120 292 R CA 1.438 57.532 56.100 -0.011 0.000 0.967 292 R CB -0.215 30.084 30.300 -0.001 0.000 0.862 292 R HN 0.283 nan 8.270 nan 0.000 0.436 293 V N -1.071 118.861 119.914 0.031 0.000 2.358 293 V HA -0.155 3.970 4.120 0.008 0.000 0.246 293 V C 2.254 178.438 176.094 0.150 0.000 1.047 293 V CA 1.787 64.141 62.300 0.090 0.000 1.035 293 V CB -0.660 31.304 31.823 0.235 0.000 0.658 293 V HN 0.201 nan 8.190 nan 0.000 0.452 294 R N 0.288 120.847 120.500 0.099 0.000 2.081 294 R HA -0.100 4.245 4.340 0.008 0.000 0.235 294 R C 2.664 179.006 176.300 0.071 0.000 1.131 294 R CA 2.051 58.209 56.100 0.097 0.000 0.960 294 R CB -0.523 29.729 30.300 -0.079 0.000 0.856 294 R HN 0.644 nan 8.270 nan 0.000 0.436 295 R N -0.360 120.135 120.500 -0.008 0.000 2.083 295 R HA -0.125 4.220 4.340 0.008 0.000 0.237 295 R C 1.903 178.140 176.300 -0.104 0.000 1.137 295 R CA 1.808 57.874 56.100 -0.055 0.000 0.951 295 R CB -0.322 29.946 30.300 -0.054 0.000 0.851 295 R HN 0.103 nan 8.270 nan 0.000 0.434 296 V N 0.057 119.884 119.914 -0.144 0.000 2.343 296 V HA -0.240 3.885 4.120 0.008 0.000 0.247 296 V C 1.794 177.715 176.094 -0.288 0.000 1.051 296 V CA 1.764 63.905 62.300 -0.264 0.000 1.036 296 V CB -0.522 31.070 31.823 -0.385 0.000 0.654 296 V HN 0.397 nan 8.190 nan 0.000 0.451 297 Y N -0.267 120.048 120.300 0.026 0.000 2.337 297 Y HA -0.097 4.458 4.550 0.008 0.000 0.293 297 Y C 2.679 178.437 175.900 -0.237 0.000 1.123 297 Y CA 1.429 59.599 58.100 0.117 0.000 1.201 297 Y CB -0.226 38.439 38.460 0.343 0.000 1.011 297 Y HN 0.066 nan 8.280 nan 0.000 0.545 298 R N 0.965 121.257 120.500 -0.348 0.000 2.080 298 R HA -0.227 4.118 4.340 0.008 0.000 0.236 298 R C 2.248 178.182 176.300 -0.610 0.000 1.137 298 R CA 1.962 57.517 56.100 -0.908 0.000 0.943 298 R CB -0.331 29.688 30.300 -0.468 0.000 0.846 298 R HN 0.385 nan 8.270 nan 0.000 0.431 299 E N 0.581 120.573 120.200 -0.346 0.000 2.085 299 E HA -0.246 4.109 4.350 0.008 0.000 0.194 299 E C 1.769 178.198 176.600 -0.286 0.000 0.994 299 E CA 1.632 57.870 56.400 -0.270 0.000 0.801 299 E CB 0.094 29.688 29.700 -0.177 0.000 0.743 299 E HN 0.326 nan 8.360 nan 0.000 0.453 300 K N -0.002 120.253 120.400 -0.240 0.000 2.057 300 K HA -0.080 4.245 4.320 0.008 0.000 0.206 300 K C 2.148 178.448 176.600 -0.499 0.000 1.050 300 K CA 1.048 57.227 56.287 -0.181 0.000 0.935 300 K CB -0.144 32.412 32.500 0.094 0.000 0.715 300 K HN 0.123 nan 8.250 nan 0.000 0.439 301 A N 1.246 123.558 122.820 -0.847 0.000 1.908 301 A HA -0.220 4.105 4.320 0.008 0.000 0.218 301 A C 2.126 179.308 177.584 -0.671 0.000 1.181 301 A CA 1.340 52.677 52.037 -1.168 0.000 0.627 301 A CB -0.359 18.066 19.000 -0.957 0.000 0.818 301 A HN 0.192 nan 8.150 nan 0.000 0.445 302 Q N -0.583 118.871 119.800 -0.577 0.000 2.020 302 Q HA -0.133 4.211 4.340 0.008 0.000 0.202 302 Q C 2.526 178.169 176.000 -0.594 0.000 0.982 302 Q CA 1.780 57.245 55.803 -0.564 0.000 0.838 302 Q CB -0.807 27.638 28.738 -0.488 0.000 0.899 302 Q HN 0.627 nan 8.270 nan 0.000 0.423 303 A N 0.636 123.225 122.820 -0.385 0.000 1.940 303 A HA -0.235 4.090 4.320 0.008 0.000 0.219 303 A C 2.127 179.613 177.584 -0.163 0.000 1.176 303 A CA 2.029 53.941 52.037 -0.207 0.000 0.631 303 A CB -0.520 18.413 19.000 -0.112 0.000 0.814 303 A HN 0.404 nan 8.150 nan 0.000 0.446 304 M N -0.528 118.936 119.600 -0.228 0.000 2.132 304 M HA -0.003 4.482 4.480 0.008 0.000 0.263 304 M C 1.831 178.017 176.300 -0.189 0.000 1.065 304 M CA 1.583 56.772 55.300 -0.186 0.000 1.122 304 M CB -0.411 32.054 32.600 -0.225 0.000 1.365 304 M HN 0.356 nan 8.290 nan 0.000 0.411 305 L N -1.247 119.848 121.223 -0.213 0.000 2.044 305 L HA -0.205 4.140 4.340 0.008 0.000 0.205 305 L C 2.373 179.251 176.870 0.013 0.000 1.075 305 L CA 1.466 56.247 54.840 -0.099 0.000 0.747 305 L CB -1.002 41.010 42.059 -0.079 0.000 0.903 305 L HN 0.449 nan 8.230 nan 0.000 0.435 306 H N -0.715 118.319 119.070 -0.060 0.000 2.353 306 H HA -0.196 4.365 4.556 0.008 0.000 0.298 306 H C 2.301 177.603 175.328 -0.043 0.000 1.103 306 H CA 0.851 56.876 56.048 -0.039 0.000 1.293 306 H CB 0.062 29.798 29.762 -0.044 0.000 1.372 306 H HN 0.426 nan 8.280 nan 0.000 0.501 307 A N 0.971 123.827 122.820 0.060 0.000 1.873 307 A HA -0.125 4.200 4.320 0.008 0.000 0.215 307 A C 2.383 179.927 177.584 -0.065 0.000 1.186 307 A CA 1.138 53.174 52.037 -0.001 0.000 0.616 307 A CB -0.716 18.279 19.000 -0.008 0.000 0.823 307 A HN 0.256 nan 8.150 nan 0.000 0.442 308 L N -0.341 120.783 121.223 -0.165 0.000 2.083 308 L HA -0.195 4.149 4.340 0.008 0.000 0.209 308 L C 1.975 178.770 176.870 -0.126 0.000 1.083 308 L CA 1.354 55.991 54.840 -0.337 0.000 0.752 308 L CB -0.660 40.895 42.059 -0.840 0.000 0.899 308 L HN 0.275 nan 8.230 nan 0.000 0.433 309 D N 0.211 120.635 120.400 0.041 0.000 2.144 309 D HA -0.167 4.478 4.640 0.008 0.000 0.199 309 D C 2.241 178.588 176.300 0.079 0.000 0.984 309 D CA 1.214 55.303 54.000 0.148 0.000 0.834 309 D CB -0.066 40.823 40.800 0.148 0.000 0.955 309 D HN 0.491 nan 8.370 nan 0.000 0.465 310 R N 0.213 120.734 120.500 0.035 0.000 2.223 310 R HA 0.143 4.488 4.340 0.008 0.000 0.198 310 R C 1.306 177.613 176.300 0.012 0.000 0.984 310 R CA 0.568 56.680 56.100 0.020 0.000 1.018 310 R CB 0.041 30.346 30.300 0.008 0.000 0.945 310 R HN 0.053 nan 8.270 nan 0.000 0.479 311 E N 1.169 121.367 120.200 -0.003 0.000 2.372 311 E HA 0.136 4.490 4.350 0.008 0.000 0.201 311 E C 0.156 176.749 176.600 -0.013 0.000 0.938 311 E CA 0.151 56.544 56.400 -0.010 0.000 0.944 311 E CB 0.731 30.419 29.700 -0.020 0.000 0.937 311 E HN -0.001 nan 8.360 nan 0.000 0.495 312 V N 5.682 125.586 119.914 -0.016 0.000 2.432 312 V HA 0.144 4.269 4.120 0.008 0.000 0.271 312 V C -2.037 174.093 176.094 0.061 0.000 1.046 312 V CA -1.407 60.897 62.300 0.007 0.000 0.945 312 V CB 0.848 32.667 31.823 -0.007 0.000 0.992 312 V HN 0.041 nan 8.190 nan 0.000 0.471 313 P HA 0.165 nan 4.420 nan 0.000 0.271 313 P C 0.200 177.527 177.300 0.046 0.000 1.218 313 P CA -0.451 62.670 63.100 0.035 0.000 0.780 313 P CB 1.085 32.795 31.700 0.018 0.000 0.901 314 K N 1.069 121.488 120.400 0.031 0.000 2.504 314 K HA -0.109 4.216 4.320 0.008 0.000 0.195 314 K C 1.391 177.994 176.600 0.004 0.000 1.036 314 K CA 0.957 57.256 56.287 0.019 0.000 0.984 314 K CB -0.142 32.362 32.500 0.006 0.000 0.788 314 K HN 0.322 nan 8.250 nan 0.000 0.488 315 E N -0.409 119.795 120.200 0.006 0.000 2.204 315 E HA -0.096 4.259 4.350 0.008 0.000 0.195 315 E C 0.159 176.755 176.600 -0.006 0.000 0.990 315 E CA 0.700 57.098 56.400 -0.003 0.000 0.821 315 E CB 0.135 29.833 29.700 -0.003 0.000 0.750 315 E HN 0.127 nan 8.360 nan 0.000 0.477 316 V N 0.757 120.677 119.914 0.010 0.000 2.370 316 V HA 0.409 4.534 4.120 0.008 0.000 0.283 316 V C -0.605 175.518 176.094 0.049 0.000 1.023 316 V CA -0.818 61.491 62.300 0.015 0.000 0.857 316 V CB 1.225 33.050 31.823 0.002 0.000 0.985 316 V HN -0.034 nan 8.190 nan 0.000 0.443 317 R N 5.443 125.939 120.500 -0.007 0.000 2.536 317 R HA 0.738 5.082 4.340 0.008 0.000 0.279 317 R C -1.361 174.941 176.300 0.003 0.000 1.001 317 R CA -0.294 55.753 56.100 -0.087 0.000 1.027 317 R CB 1.669 31.911 30.300 -0.096 0.000 1.096 317 R HN 0.897 nan 8.270 nan 0.000 0.502 318 Y N -2.700 117.580 120.300 -0.033 0.000 2.544 318 Y HA 0.418 4.972 4.550 0.008 0.000 0.342 318 Y C -0.316 175.607 175.900 0.039 0.000 1.062 318 Y CA -1.525 56.563 58.100 -0.020 0.000 1.023 318 Y CB 0.633 39.066 38.460 -0.044 0.000 1.308 318 Y HN 0.650 nan 8.280 nan 0.000 0.457 319 T N 0.025 114.721 114.554 0.236 0.000 2.813 319 T HA 0.535 4.890 4.350 0.008 0.000 0.297 319 T C -0.288 174.545 174.700 0.222 0.000 1.036 319 T CA -0.891 61.327 62.100 0.197 0.000 1.044 319 T CB 0.656 69.667 68.868 0.239 0.000 0.993 319 T HN 0.792 nan 8.240 nan 0.000 0.535 320 R N 1.994 122.591 120.500 0.161 0.000 2.407 320 R HA 0.355 4.700 4.340 0.008 0.000 0.298 320 R C -2.618 173.777 176.300 0.158 0.000 1.166 320 R CA -1.730 54.463 56.100 0.155 0.000 1.006 320 R CB 1.184 31.548 30.300 0.107 0.000 1.145 320 R HN 0.602 nan 8.270 nan 0.000 0.538 321 P HA 0.123 nan 4.420 nan 0.000 0.275 321 P C -0.389 177.028 177.300 0.195 0.000 1.227 321 P CA -0.361 62.852 63.100 0.189 0.000 0.781 321 P CB 1.220 33.070 31.700 0.251 0.000 0.906 322 K N 0.835 121.291 120.400 0.094 0.000 2.404 322 K HA 0.361 4.685 4.320 0.008 0.000 0.194 322 K C 1.003 177.236 176.600 -0.612 0.000 1.023 322 K CA 0.034 56.368 56.287 0.078 0.000 1.094 322 K CB 0.384 33.026 32.500 0.238 0.000 0.841 322 K HN 0.729 nan 8.250 nan 0.000 0.523 323 G N -0.542 107.394 108.800 -1.441 0.000 2.342 323 G HA2 0.411 4.376 3.960 0.008 0.000 0.297 323 G HA3 0.411 4.376 3.960 0.008 0.000 0.297 323 G C -0.413 173.404 174.900 -1.804 0.000 1.313 323 G CA -0.310 43.041 45.100 -2.915 0.000 0.830 323 G HN 0.227 nan 8.290 nan 0.000 0.506 324 G N -0.754 107.234 108.800 -1.355 0.000 2.542 324 G HA2 0.170 4.135 3.960 0.008 0.000 0.235 324 G HA3 0.170 4.135 3.960 0.008 0.000 0.235 324 G C 0.743 175.298 174.900 -0.574 0.000 1.286 324 G CA 1.215 45.879 45.100 -0.727 0.000 0.904 324 G HN 1.903 nan 8.290 nan 0.000 0.577 325 M N -1.664 117.346 119.600 -0.983 0.000 2.410 325 M HA 0.628 5.113 4.480 0.008 0.000 0.376 325 M C -0.527 174.838 176.300 -1.559 0.000 1.051 325 M CA -0.030 54.476 55.300 -1.322 0.000 0.949 325 M CB 0.726 32.637 32.600 -1.148 0.000 1.577 325 M HN 0.207 nan 8.290 nan 0.000 0.560 326 F N 0.441 120.097 119.950 -0.490 0.000 2.577 326 F HA 0.779 5.312 4.527 0.009 0.000 0.318 326 F C -0.362 175.499 175.800 0.102 0.000 1.065 326 F CA -1.566 56.311 58.000 -0.205 0.000 0.929 326 F CB 1.857 40.758 39.000 -0.166 0.000 1.237 326 F HN -0.301 nan 8.300 nan 0.000 0.468 327 V N 1.639 121.776 119.914 0.371 0.000 2.588 327 V HA 0.297 4.422 4.120 0.008 0.000 0.304 327 V C -1.245 175.024 176.094 0.292 0.000 1.042 327 V CA -1.023 61.463 62.300 0.310 0.000 0.877 327 V CB 2.376 34.330 31.823 0.219 0.000 0.996 327 V HN 0.821 nan 8.190 nan 0.000 0.425 328 W N 7.299 128.630 121.300 0.052 0.000 2.478 328 W HA 0.727 5.391 4.660 0.006 0.000 0.318 328 W C -0.980 175.560 176.519 0.035 0.000 1.062 328 W CA -0.818 56.519 57.345 -0.013 0.000 1.210 328 W CB 1.774 31.207 29.460 -0.045 0.000 1.325 328 W HN 0.626 nan 8.180 nan 0.000 0.496 329 M N 5.790 125.100 119.600 -0.483 0.000 2.326 329 M HA 0.354 4.839 4.480 0.008 0.000 0.306 329 M C -1.426 174.560 176.300 -0.524 0.000 1.054 329 M CA -0.208 54.890 55.300 -0.336 0.000 0.922 329 M CB 2.099 34.548 32.600 -0.252 0.000 1.632 329 M HN 0.433 nan 8.290 nan 0.000 0.436 330 E N 5.362 125.383 120.200 -0.298 0.000 2.158 330 E HA 0.482 4.837 4.350 0.008 0.000 0.271 330 E C -1.222 175.291 176.600 -0.145 0.000 0.911 330 E CA -0.690 55.566 56.400 -0.239 0.000 0.767 330 E CB 2.236 31.856 29.700 -0.132 0.000 1.120 330 E HN 0.681 nan 8.360 nan 0.000 0.405 331 L N 3.214 124.353 121.223 -0.140 0.000 2.421 331 L HA 0.376 4.721 4.340 0.008 0.000 0.263 331 L C -2.106 174.728 176.870 -0.060 0.000 1.122 331 L CA -2.317 52.470 54.840 -0.089 0.000 0.804 331 L CB 0.134 42.143 42.059 -0.083 0.000 1.150 331 L HN 0.214 nan 8.230 nan 0.000 0.457 332 P HA -0.075 nan 4.420 nan 0.000 0.262 332 P C -0.605 176.677 177.300 -0.030 0.000 1.182 332 P CA 0.041 63.123 63.100 -0.029 0.000 0.761 332 P CB 0.252 31.940 31.700 -0.020 0.000 0.795 333 K N 3.055 123.439 120.400 -0.027 0.000 2.437 333 K HA 0.088 4.413 4.320 0.008 0.000 0.277 333 K C 1.254 177.841 176.600 -0.021 0.000 1.073 333 K CA 1.460 57.731 56.287 -0.028 0.000 1.105 333 K CB -0.733 31.753 32.500 -0.023 0.000 0.881 333 K HN 0.814 nan 8.250 nan 0.000 0.475 334 G N 3.394 112.182 108.800 -0.021 0.000 2.617 334 G HA2 -0.183 3.782 3.960 0.008 0.000 0.197 334 G HA3 -0.183 3.782 3.960 0.008 0.000 0.197 334 G C 0.013 174.909 174.900 -0.008 0.000 1.017 334 G CA -0.436 44.656 45.100 -0.013 0.000 0.713 334 G HN 0.485 nan 8.290 nan 0.000 0.481 335 L N 1.597 122.813 121.223 -0.011 0.000 2.379 335 L HA 0.703 5.048 4.340 0.008 0.000 0.269 335 L C 0.463 177.333 176.870 -0.001 0.000 1.084 335 L CA -0.364 54.474 54.840 -0.003 0.000 0.802 335 L CB 1.732 43.786 42.059 -0.007 0.000 1.175 335 L HN 0.280 nan 8.230 nan 0.000 0.448 336 S N 0.492 116.205 115.700 0.021 0.000 2.478 336 S HA 0.516 4.991 4.470 0.008 0.000 0.312 336 S C 0.578 175.226 174.600 0.080 0.000 1.094 336 S CA -0.193 58.030 58.200 0.039 0.000 1.081 336 S CB 1.821 65.047 63.200 0.045 0.000 1.007 336 S HN 0.687 nan 8.310 nan 0.000 0.475 337 A N 4.143 127.020 122.820 0.095 0.000 2.014 337 A HA 0.046 4.370 4.320 0.008 0.000 0.218 337 A C 1.920 179.703 177.584 0.331 0.000 1.163 337 A CA 0.866 53.023 52.037 0.201 0.000 0.652 337 A CB -0.431 18.670 19.000 0.169 0.000 0.808 337 A HN 0.883 nan 8.150 nan 0.000 0.449 338 E N -0.216 120.101 120.200 0.195 0.000 2.106 338 E HA -0.132 4.223 4.350 0.008 0.000 0.192 338 E C 2.143 178.866 176.600 0.206 0.000 0.984 338 E CA 1.150 57.645 56.400 0.157 0.000 0.806 338 E CB -0.523 29.215 29.700 0.064 0.000 0.750 338 E HN 0.582 nan 8.360 nan 0.000 0.458 339 G N 1.779 110.676 108.800 0.162 0.000 2.402 339 G HA2 -0.201 3.764 3.960 0.008 0.000 0.216 339 G HA3 -0.201 3.764 3.960 0.008 0.000 0.216 339 G C 1.640 176.647 174.900 0.177 0.000 1.162 339 G CA 0.156 45.339 45.100 0.139 0.000 0.777 339 G HN 0.146 nan 8.290 nan 0.000 0.539 340 L N -0.625 120.739 121.223 0.235 0.000 2.046 340 L HA -0.023 4.321 4.340 0.008 0.000 0.208 340 L C 2.568 179.668 176.870 0.383 0.000 1.077 340 L CA 1.465 56.475 54.840 0.285 0.000 0.747 340 L CB -0.349 41.889 42.059 0.298 0.000 0.896 340 L HN 0.282 nan 8.230 nan 0.000 0.432 341 F N 1.051 121.173 119.950 0.288 0.000 2.065 341 F HA -0.311 4.222 4.527 0.009 0.000 0.298 341 F C 2.758 178.526 175.800 -0.052 0.000 1.112 341 F CA 1.793 59.751 58.000 -0.069 0.000 1.212 341 F CB -0.265 38.593 39.000 -0.236 0.000 0.975 341 F HN -0.000 nan 8.300 nan 0.000 0.476 342 R N 0.220 120.790 120.500 0.118 0.000 2.096 342 R HA -0.142 4.203 4.340 0.008 0.000 0.235 342 R C 2.270 178.541 176.300 -0.048 0.000 1.127 342 R CA 1.614 57.719 56.100 0.008 0.000 0.968 342 R CB -0.685 29.672 30.300 0.095 0.000 0.861 342 R HN 0.390 nan 8.270 nan 0.000 0.440 343 R N 0.487 120.995 120.500 0.014 0.000 2.075 343 R HA -0.026 4.318 4.340 0.008 0.000 0.232 343 R C 2.391 178.681 176.300 -0.017 0.000 1.126 343 R CA 1.325 57.434 56.100 0.014 0.000 0.963 343 R CB -0.386 29.947 30.300 0.055 0.000 0.858 343 R HN 0.191 nan 8.270 nan 0.000 0.435 344 A N 1.395 124.203 122.820 -0.020 0.000 1.933 344 A HA -0.115 4.209 4.320 0.008 0.000 0.218 344 A C 2.172 179.660 177.584 -0.160 0.000 1.175 344 A CA 1.101 53.122 52.037 -0.026 0.000 0.628 344 A CB -0.575 18.500 19.000 0.126 0.000 0.814 344 A HN 0.175 nan 8.150 nan 0.000 0.444 345 L N -0.208 120.818 121.223 -0.329 0.000 2.081 345 L HA -0.248 4.097 4.340 0.008 0.000 0.212 345 L C 2.423 179.207 176.870 -0.144 0.000 1.080 345 L CA 1.769 56.434 54.840 -0.291 0.000 0.754 345 L CB -0.847 41.003 42.059 -0.349 0.000 0.893 345 L HN 0.527 nan 8.230 nan 0.000 0.433 346 E N -0.124 120.017 120.200 -0.098 0.000 2.274 346 E HA -0.139 4.215 4.350 0.008 0.000 0.194 346 E C 1.201 177.779 176.600 -0.038 0.000 0.996 346 E CA 0.579 56.947 56.400 -0.053 0.000 0.840 346 E CB -0.015 29.666 29.700 -0.031 0.000 0.772 346 E HN 0.517 nan 8.360 nan 0.000 0.491 347 E N 0.761 120.938 120.200 -0.037 0.000 2.444 347 E HA 0.050 4.405 4.350 0.008 0.000 0.191 347 E C -0.531 176.054 176.600 -0.025 0.000 1.041 347 E CA -0.180 56.210 56.400 -0.016 0.000 0.883 347 E CB -0.155 29.551 29.700 0.010 0.000 1.024 347 E HN 0.252 nan 8.360 nan 0.000 0.470 348 N N 0.131 118.799 118.700 -0.053 0.000 2.738 348 N HA -0.178 4.567 4.740 0.008 0.000 0.249 348 N C -0.958 174.512 175.510 -0.067 0.000 1.047 348 N CA 0.577 53.589 53.050 -0.063 0.000 0.707 348 N CB -0.851 37.608 38.487 -0.046 0.000 0.937 348 N HN 0.050 nan 8.380 nan 0.000 0.545 349 V N -0.883 118.986 119.914 -0.075 0.000 3.012 349 V HA 0.907 5.031 4.120 0.008 0.000 0.307 349 V C -1.318 174.726 176.094 -0.084 0.000 1.166 349 V CA 0.001 62.275 62.300 -0.043 0.000 0.974 349 V CB 2.182 34.051 31.823 0.077 0.000 1.040 349 V HN 0.280 nan 8.190 nan 0.000 0.428 350 A N 4.664 127.470 122.820 -0.023 0.000 2.515 350 A HA 1.072 5.397 4.320 0.008 0.000 0.296 350 A C -1.244 176.500 177.584 0.266 0.000 1.094 350 A CA -0.411 51.582 52.037 -0.074 0.000 0.718 350 A CB 1.790 20.746 19.000 -0.073 0.000 1.307 350 A HN 1.805 nan 8.150 nan 0.000 0.408 351 F N -1.437 118.748 119.950 0.391 0.000 2.789 351 F HA 0.750 5.281 4.527 0.007 0.000 0.319 351 F C -1.174 174.848 175.800 0.369 0.000 1.168 351 F CA -1.328 56.898 58.000 0.377 0.000 0.934 351 F CB 1.097 40.284 39.000 0.311 0.000 1.375 351 F HN 0.311 nan 8.300 nan 0.000 0.480 352 V N 1.946 122.194 119.914 0.556 0.000 2.350 352 V HA 0.421 4.546 4.120 0.008 0.000 0.276 352 V C -2.354 174.064 176.094 0.539 0.000 1.028 352 V CA -1.979 60.557 62.300 0.394 0.000 0.860 352 V CB 0.947 33.007 31.823 0.395 0.000 0.990 352 V HN 0.507 nan 8.190 nan 0.000 0.453 353 P HA 0.096 nan 4.420 nan 0.000 0.265 353 P C 1.021 178.560 177.300 0.398 0.000 1.193 353 P CA 0.283 63.599 63.100 0.361 0.000 0.765 353 P CB 0.799 32.583 31.700 0.141 0.000 0.823 354 G N 2.684 111.719 108.800 0.392 0.000 2.572 354 G HA2 -0.093 3.872 3.960 0.008 0.000 0.216 354 G HA3 -0.093 3.872 3.960 0.008 0.000 0.216 354 G C 1.674 177.035 174.900 0.768 0.000 1.133 354 G CA 0.633 46.145 45.100 0.685 0.000 0.791 354 G HN 0.601 nan 8.290 nan 0.000 0.538 355 G N 2.039 111.104 108.800 0.443 0.000 2.599 355 G HA2 -0.233 3.732 3.960 0.008 0.000 0.219 355 G HA3 -0.233 3.732 3.960 0.008 0.000 0.219 355 G C 0.058 175.148 174.900 0.316 0.000 1.193 355 G CA 1.296 46.602 45.100 0.343 0.000 0.778 355 G HN 0.401 nan 8.290 nan 0.000 0.589 356 P HA -0.078 nan 4.420 nan 0.000 0.220 356 P C 1.074 178.263 177.300 -0.186 0.000 1.144 356 P CA 0.748 63.783 63.100 -0.107 0.000 0.800 356 P CB -0.191 31.338 31.700 -0.286 0.000 0.772 357 F N -3.024 116.940 119.950 0.025 0.000 2.780 357 F HA 0.119 4.651 4.527 0.007 0.000 0.299 357 F C 0.801 176.403 175.800 -0.331 0.000 1.146 357 F CA 0.235 58.132 58.000 -0.171 0.000 1.428 357 F CB -0.547 38.318 39.000 -0.225 0.000 1.115 357 F HN -0.206 nan 8.300 nan 0.000 0.583 358 F N -0.405 119.602 119.950 0.095 0.000 2.361 358 F HA 0.450 4.982 4.527 0.008 0.000 0.364 358 F C 1.111 176.853 175.800 -0.096 0.000 1.120 358 F CA -0.835 57.181 58.000 0.027 0.000 1.102 358 F CB 1.056 40.101 39.000 0.075 0.000 1.183 358 F HN -0.113 nan 8.300 nan 0.000 0.476 359 A N 3.060 125.837 122.820 -0.072 0.000 1.969 359 A HA -0.154 4.170 4.320 0.008 0.000 0.218 359 A C 1.129 178.607 177.584 -0.178 0.000 1.169 359 A CA 1.276 53.094 52.037 -0.366 0.000 0.635 359 A CB -0.495 18.061 19.000 -0.741 0.000 0.810 359 A HN 0.842 nan 8.150 nan 0.000 0.445 360 N N -0.577 118.131 118.700 0.014 0.000 2.458 360 N HA 0.432 5.176 4.740 0.008 0.000 0.274 360 N C 0.318 175.869 175.510 0.069 0.000 1.242 360 N CA 0.204 53.292 53.050 0.063 0.000 0.904 360 N CB 0.707 39.254 38.487 0.101 0.000 1.206 360 N HN 0.612 nan 8.380 nan 0.000 0.510 361 G N 0.028 108.871 108.800 0.072 0.000 2.860 361 G HA2 0.180 4.145 3.960 0.008 0.000 0.553 361 G HA3 0.180 4.145 3.960 0.008 0.000 0.553 361 G C 0.234 175.125 174.900 -0.015 0.000 1.439 361 G CA -0.663 44.462 45.100 0.043 0.000 0.879 361 G HN 0.767 nan 8.290 nan 0.000 0.545 362 G N -1.657 107.082 108.800 -0.100 0.000 2.698 362 G HA2 0.507 4.472 3.960 0.008 0.000 0.225 362 G HA3 0.507 4.472 3.960 0.008 0.000 0.225 362 G C 1.689 176.253 174.900 -0.559 0.000 1.345 362 G CA 1.213 46.152 45.100 -0.267 0.000 0.871 362 G HN 3.180 nan 8.290 nan 0.000 0.540 363 G N -2.254 106.070 108.800 -0.794 0.000 2.179 363 G HA2 0.152 4.117 3.960 0.008 0.000 0.257 363 G HA3 0.152 4.117 3.960 0.008 0.000 0.257 363 G C 1.289 176.064 174.900 -0.207 0.000 1.010 363 G CA 1.941 46.535 45.100 -0.844 0.000 0.736 363 G HN 2.448 nan 8.290 nan 0.000 0.513 364 E N 0.827 120.940 120.200 -0.145 0.000 2.265 364 E HA -0.138 4.217 4.350 0.008 0.000 0.196 364 E C 1.871 178.455 176.600 -0.027 0.000 0.996 364 E CA 1.509 57.886 56.400 -0.038 0.000 0.832 364 E CB -0.630 29.049 29.700 -0.035 0.000 0.756 364 E HN 1.023 nan 8.360 nan 0.000 0.491 365 N N 0.817 119.477 118.700 -0.066 0.000 2.370 365 N HA -0.031 4.714 4.740 0.008 0.000 0.198 365 N C 0.347 175.779 175.510 -0.130 0.000 1.156 365 N CA 0.935 53.941 53.050 -0.073 0.000 0.839 365 N CB -0.082 38.362 38.487 -0.072 0.000 0.989 365 N HN 0.409 nan 8.380 nan 0.000 0.468 366 T N -0.957 113.513 114.554 -0.140 0.000 2.942 366 T HA 0.701 5.056 4.350 0.008 0.000 0.289 366 T C -0.220 174.256 174.700 -0.374 0.000 1.044 366 T CA -0.913 60.956 62.100 -0.385 0.000 1.023 366 T CB 2.182 70.766 68.868 -0.474 0.000 1.123 366 T HN 0.152 nan 8.240 nan 0.000 0.512 367 L N -1.331 119.492 121.223 -0.667 0.000 2.622 367 L HA 0.692 5.037 4.340 0.008 0.000 0.258 367 L C -1.242 175.417 176.870 -0.352 0.000 0.996 367 L CA -1.093 53.542 54.840 -0.341 0.000 0.858 367 L CB 1.859 43.767 42.059 -0.251 0.000 1.449 367 L HN 0.981 nan 8.230 nan 0.000 0.411 368 R N 1.389 121.919 120.500 0.050 0.000 2.393 368 R HA 0.827 5.172 4.340 0.008 0.000 0.310 368 R C -1.466 174.948 176.300 0.190 0.000 0.968 368 R CA -0.665 55.516 56.100 0.134 0.000 0.867 368 R CB 1.577 31.887 30.300 0.017 0.000 1.124 368 R HN 0.795 nan 8.270 nan 0.000 0.450 369 L N 2.205 123.530 121.223 0.171 0.000 2.322 369 L HA 0.386 4.731 4.340 0.008 0.000 0.281 369 L C -0.108 176.955 176.870 0.322 0.000 1.014 369 L CA -0.606 54.356 54.840 0.204 0.000 0.815 369 L CB 2.031 44.064 42.059 -0.044 0.000 1.247 369 L HN 0.536 nan 8.230 nan 0.000 0.421 370 S N 1.162 117.107 115.700 0.408 0.000 2.451 370 S HA 0.387 4.862 4.470 0.008 0.000 0.301 370 S C 0.053 174.850 174.600 0.328 0.000 1.116 370 S CA -0.556 57.830 58.200 0.311 0.000 1.093 370 S CB 0.592 64.019 63.200 0.377 0.000 1.017 370 S HN 0.499 nan 8.310 nan 0.000 0.482 371 Y N 2.945 123.396 120.300 0.253 0.000 2.485 371 Y HA 0.584 5.139 4.550 0.008 0.000 0.260 371 Y C 1.500 177.525 175.900 0.209 0.000 1.173 371 Y CA -0.067 58.176 58.100 0.239 0.000 1.252 371 Y CB -0.721 37.820 38.460 0.134 0.000 1.123 371 Y HN 0.607 nan 8.280 nan 0.000 0.524 372 A N 0.704 123.600 122.820 0.127 0.000 1.929 372 A HA -0.079 4.246 4.320 0.008 0.000 0.216 372 A C 2.032 179.739 177.584 0.206 0.000 1.176 372 A CA 2.124 54.310 52.037 0.249 0.000 0.628 372 A CB -0.919 18.161 19.000 0.133 0.000 0.816 372 A HN 0.455 nan 8.150 nan 0.000 0.444 373 T N -0.360 114.286 114.554 0.152 0.000 3.010 373 T HA 0.294 4.649 4.350 0.008 0.000 0.252 373 T C 0.761 175.491 174.700 0.049 0.000 1.047 373 T CA 0.003 62.153 62.100 0.084 0.000 1.140 373 T CB -0.221 68.700 68.868 0.089 0.000 0.885 373 T HN 0.228 nan 8.240 nan 0.000 0.464 374 L N 1.854 123.124 121.223 0.079 0.000 2.453 374 L HA 0.304 4.649 4.340 0.008 0.000 0.261 374 L C 0.688 177.582 176.870 0.040 0.000 1.179 374 L CA -0.519 54.345 54.840 0.041 0.000 0.813 374 L CB 0.340 42.421 42.059 0.038 0.000 1.110 374 L HN 0.160 nan 8.230 nan 0.000 0.466 375 D N 0.255 120.661 120.400 0.010 0.000 2.478 375 D HA 0.138 4.783 4.640 0.008 0.000 0.269 375 D C 1.099 177.410 176.300 0.018 0.000 1.232 375 D CA -0.374 53.624 54.000 -0.002 0.000 1.059 375 D CB 1.005 41.792 40.800 -0.022 0.000 1.104 375 D HN 0.358 nan 8.370 nan 0.000 0.566 376 R N -0.050 120.451 120.500 0.001 0.000 2.091 376 R HA -0.187 4.158 4.340 0.008 0.000 0.238 376 R C 1.607 177.922 176.300 0.024 0.000 1.136 376 R CA 1.327 57.431 56.100 0.007 0.000 0.959 376 R CB -0.025 30.267 30.300 -0.014 0.000 0.856 376 R HN 0.358 nan 8.270 nan 0.000 0.437 377 E N -0.331 119.878 120.200 0.016 0.000 2.158 377 E HA -0.046 4.309 4.350 0.008 0.000 0.191 377 E C 1.806 178.423 176.600 0.029 0.000 0.982 377 E CA 1.239 57.651 56.400 0.020 0.000 0.823 377 E CB -0.379 29.326 29.700 0.007 0.000 0.766 377 E HN 0.354 nan 8.360 nan 0.000 0.468 378 G N 1.173 109.985 108.800 0.020 0.000 2.422 378 G HA2 -0.199 3.766 3.960 0.008 0.000 0.218 378 G HA3 -0.199 3.766 3.960 0.008 0.000 0.218 378 G C 1.470 176.408 174.900 0.063 0.000 1.146 378 G CA 0.869 45.972 45.100 0.006 0.000 0.769 378 G HN 0.234 nan 8.290 nan 0.000 0.547 379 I N 1.802 122.455 120.570 0.138 0.000 2.163 379 I HA -0.104 4.071 4.170 0.008 0.000 0.240 379 I C 3.292 179.554 176.117 0.241 0.000 1.081 379 I CA 1.247 62.718 61.300 0.284 0.000 1.353 379 I CB -1.445 36.675 38.000 0.200 0.000 1.054 379 I HN 0.261 nan 8.210 nan 0.000 0.407 380 A N 0.522 123.415 122.820 0.123 0.000 1.883 380 A HA -0.273 4.052 4.320 0.008 0.000 0.217 380 A C 2.305 179.948 177.584 0.099 0.000 1.186 380 A CA 2.274 54.363 52.037 0.088 0.000 0.624 380 A CB -0.692 18.339 19.000 0.053 0.000 0.822 380 A HN 0.437 nan 8.150 nan 0.000 0.444 381 E N -0.082 120.169 120.200 0.085 0.000 2.072 381 E HA -0.019 4.335 4.350 0.008 0.000 0.191 381 E C 2.011 178.670 176.600 0.099 0.000 0.985 381 E CA 1.602 58.041 56.400 0.065 0.000 0.801 381 E CB -0.898 28.819 29.700 0.029 0.000 0.750 381 E HN 0.385 nan 8.360 nan 0.000 0.452 382 G N 0.125 109.007 108.800 0.138 0.000 2.440 382 G HA2 -0.233 3.732 3.960 0.008 0.000 0.218 382 G HA3 -0.233 3.732 3.960 0.008 0.000 0.218 382 G C 1.753 176.933 174.900 0.468 0.000 1.154 382 G CA 1.051 46.260 45.100 0.180 0.000 0.767 382 G HN 0.268 nan 8.290 nan 0.000 0.552 383 V N 1.842 122.016 119.914 0.434 0.000 2.427 383 V HA -0.184 3.941 4.120 0.008 0.000 0.248 383 V C 3.017 179.166 176.094 0.092 0.000 1.051 383 V CA 2.282 64.687 62.300 0.176 0.000 1.048 383 V CB -0.433 31.392 31.823 0.005 0.000 0.666 383 V HN 0.599 nan 8.190 nan 0.000 0.456 384 R N 0.536 121.087 120.500 0.085 0.000 2.096 384 R HA -0.131 4.214 4.340 0.008 0.000 0.235 384 R C 2.299 178.634 176.300 0.057 0.000 1.127 384 R CA 1.381 57.512 56.100 0.051 0.000 0.968 384 R CB -0.623 29.700 30.300 0.038 0.000 0.861 384 R HN 0.375 nan 8.270 nan 0.000 0.440 385 R N 0.874 121.422 120.500 0.080 0.000 2.091 385 R HA -0.046 4.299 4.340 0.008 0.000 0.238 385 R C 2.419 178.773 176.300 0.090 0.000 1.136 385 R CA 1.407 57.551 56.100 0.074 0.000 0.959 385 R CB -0.508 29.835 30.300 0.071 0.000 0.856 385 R HN 0.263 nan 8.270 nan 0.000 0.437 386 L N 0.303 121.605 121.223 0.131 0.000 2.027 386 L HA -0.092 4.253 4.340 0.008 0.000 0.206 386 L C 2.284 179.178 176.870 0.040 0.000 1.074 386 L CA 1.785 56.694 54.840 0.115 0.000 0.745 386 L CB -0.957 41.170 42.059 0.114 0.000 0.898 386 L HN 0.334 nan 8.230 nan 0.000 0.433 387 G N -0.141 108.670 108.800 0.018 0.000 2.513 387 G HA2 -0.323 3.642 3.960 0.008 0.000 0.219 387 G HA3 -0.323 3.642 3.960 0.008 0.000 0.219 387 G C 1.627 176.535 174.900 0.014 0.000 1.160 387 G CA 0.849 45.950 45.100 0.002 0.000 0.767 387 G HN 0.363 nan 8.290 nan 0.000 0.571 388 R N 0.446 120.961 120.500 0.025 0.000 2.096 388 R HA 0.070 4.415 4.340 0.008 0.000 0.235 388 R C 3.017 179.333 176.300 0.028 0.000 1.127 388 R CA 1.088 57.203 56.100 0.024 0.000 0.968 388 R CB -0.325 29.989 30.300 0.023 0.000 0.861 388 R HN 0.376 nan 8.270 nan 0.000 0.440 389 A N 1.148 123.992 122.820 0.041 0.000 1.898 389 A HA -0.099 4.226 4.320 0.008 0.000 0.216 389 A C 2.152 179.762 177.584 0.043 0.000 1.181 389 A CA 0.998 53.066 52.037 0.052 0.000 0.620 389 A CB -0.479 18.576 19.000 0.091 0.000 0.819 389 A HN 0.148 nan 8.150 nan 0.000 0.442 390 L N -0.533 120.705 121.223 0.026 0.000 1.989 390 L HA -0.228 4.116 4.340 0.008 0.000 0.211 390 L C 2.674 179.549 176.870 0.009 0.000 1.071 390 L CA 1.663 56.505 54.840 0.005 0.000 0.749 390 L CB -0.455 41.592 42.059 -0.020 0.000 0.890 390 L HN 0.256 nan 8.230 nan 0.000 0.431 391 K N 0.169 120.575 120.400 0.010 0.000 2.063 391 K HA -0.162 4.162 4.320 0.008 0.000 0.208 391 K C 2.053 178.660 176.600 0.012 0.000 1.048 391 K CA 1.614 57.907 56.287 0.010 0.000 0.928 391 K CB -0.695 31.811 32.500 0.010 0.000 0.713 391 K HN 0.452 nan 8.250 nan 0.000 0.442 392 G N 1.206 110.016 108.800 0.016 0.000 2.422 392 G HA2 -0.234 3.731 3.960 0.008 0.000 0.218 392 G HA3 -0.234 3.731 3.960 0.008 0.000 0.218 392 G C 1.499 176.410 174.900 0.018 0.000 1.146 392 G CA 0.526 45.636 45.100 0.017 0.000 0.769 392 G HN 0.241 nan 8.290 nan 0.000 0.547 393 L N -0.238 120.998 121.223 0.022 0.000 2.131 393 L HA 0.258 4.602 4.340 0.008 0.000 0.206 393 L C 2.473 179.352 176.870 0.014 0.000 1.087 393 L CA 1.029 55.883 54.840 0.023 0.000 0.767 393 L CB -0.384 41.694 42.059 0.032 0.000 0.917 393 L HN 0.094 nan 8.230 nan 0.000 0.441 394 L N -0.017 121.212 121.223 0.010 0.000 2.131 394 L HA 0.020 4.365 4.340 0.008 0.000 0.210 394 L C 1.784 178.658 176.870 0.006 0.000 1.092 394 L CA 1.179 56.022 54.840 0.006 0.000 0.759 394 L CB -1.393 40.668 42.059 0.003 0.000 0.903 394 L HN 0.281 nan 8.230 nan 0.000 0.435 395 A N 0.000 122.825 122.820 0.008 0.000 2.254 395 A HA 0.000 4.325 4.320 0.008 0.000 0.244 395 A CA 0.000 52.041 52.037 0.007 0.000 0.836 395 A CB 0.000 19.005 19.000 0.008 0.000 0.831 395 A HN 0.000 nan 8.150 nan 0.000 0.486