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 1eb4_1_A DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNAH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.706 174.700 0.010 0.000 1.109 1 T CA 0.000 62.104 62.100 0.007 0.000 1.349 1 T CB 0.000 68.873 68.868 0.008 0.000 0.612 2 E N 3.318 123.523 120.200 0.008 0.000 2.229 2 E HA 0.609 4.972 4.350 0.022 0.000 0.283 2 E C -0.855 175.751 176.600 0.010 0.000 1.030 2 E CA -0.578 55.828 56.400 0.009 0.000 0.836 2 E CB 0.931 30.636 29.700 0.007 0.000 1.068 2 E HN 0.551 nan 8.360 nan 0.000 0.401 3 L N 4.298 125.529 121.223 0.014 0.000 2.343 3 L HA 0.488 4.842 4.340 0.022 0.000 0.278 3 L C -1.018 175.861 176.870 0.016 0.000 0.996 3 L CA -0.127 54.722 54.840 0.015 0.000 0.831 3 L CB 1.983 44.054 42.059 0.019 0.000 1.232 3 L HN 0.502 nan 8.230 nan 0.000 0.413 4 T N 6.283 120.845 114.554 0.014 0.000 2.781 4 T HA 0.362 4.725 4.350 0.022 0.000 0.305 4 T C -0.400 174.310 174.700 0.017 0.000 1.001 4 T CA -0.162 61.947 62.100 0.014 0.000 0.950 4 T CB 0.424 69.298 68.868 0.011 0.000 0.955 4 T HN 0.443 nan 8.240 nan 0.000 0.471 5 L N 4.564 125.799 121.223 0.019 0.000 2.315 5 L HA 0.343 4.696 4.340 0.022 0.000 0.283 5 L C 0.055 176.939 176.870 0.023 0.000 1.089 5 L CA -0.044 54.810 54.840 0.023 0.000 0.833 5 L CB 0.118 42.193 42.059 0.028 0.000 1.170 5 L HN 0.409 nan 8.230 nan 0.000 0.442 6 K N 7.388 127.803 120.400 0.025 0.000 2.231 6 K HA 0.325 4.659 4.320 0.022 0.000 0.275 6 K C -2.304 174.317 176.600 0.036 0.000 1.105 6 K CA -1.620 54.684 56.287 0.028 0.000 0.931 6 K CB 0.267 32.782 32.500 0.026 0.000 1.296 6 K HN 0.430 nan 8.250 nan 0.000 0.446 7 P HA -0.128 nan 4.420 nan 0.000 0.261 7 P C 0.716 178.052 177.300 0.059 0.000 1.173 7 P CA 1.056 64.186 63.100 0.051 0.000 0.760 7 P CB 0.577 32.311 31.700 0.057 0.000 0.783 8 G N 2.253 111.086 108.800 0.056 0.000 2.143 8 G HA2 -0.247 3.727 3.960 0.022 0.000 0.249 8 G HA3 -0.247 3.727 3.960 0.022 0.000 0.249 8 G C 0.546 175.472 174.900 0.043 0.000 0.981 8 G CA 0.494 45.626 45.100 0.054 0.000 0.665 8 G HN 0.683 nan 8.290 nan 0.000 0.528 9 T N -1.580 112.998 114.554 0.040 0.000 3.145 9 T HA 0.592 4.955 4.350 0.022 0.000 0.281 9 T C 0.938 175.656 174.700 0.031 0.000 1.003 9 T CA -0.272 61.848 62.100 0.033 0.000 0.901 9 T CB 0.292 69.178 68.868 0.030 0.000 1.112 9 T HN 0.413 nan 8.240 nan 0.000 0.535 10 L N 3.640 124.884 121.223 0.035 0.000 2.525 10 L HA 0.288 4.641 4.340 0.022 0.000 0.278 10 L C 1.198 178.090 176.870 0.036 0.000 1.218 10 L CA -0.068 54.794 54.840 0.037 0.000 0.878 10 L CB 0.421 42.507 42.059 0.045 0.000 1.127 10 L HN 0.425 nan 8.230 nan 0.000 0.492 11 T N -0.336 114.237 114.554 0.033 0.000 2.912 11 T HA 0.377 4.740 4.350 0.022 0.000 0.280 11 T C 1.199 175.927 174.700 0.047 0.000 0.989 11 T CA -0.940 61.180 62.100 0.032 0.000 0.995 11 T CB 1.279 70.159 68.868 0.020 0.000 1.077 11 T HN 0.452 nan 8.240 nan 0.000 0.531 12 L N 0.725 121.982 121.223 0.057 0.000 2.131 12 L HA -0.013 4.340 4.340 0.022 0.000 0.210 12 L C 3.090 179.990 176.870 0.050 0.000 1.092 12 L CA 1.543 56.445 54.840 0.103 0.000 0.759 12 L CB -0.842 41.283 42.059 0.111 0.000 0.903 12 L HN 0.954 nan 8.230 nan 0.000 0.435 13 A N -0.714 122.106 122.820 0.001 0.000 1.930 13 A HA -0.210 4.123 4.320 0.022 0.000 0.217 13 A C 2.210 179.755 177.584 -0.064 0.000 1.175 13 A CA 1.221 53.226 52.037 -0.053 0.000 0.627 13 A CB -0.320 18.659 19.000 -0.035 0.000 0.815 13 A HN 0.453 nan 8.150 nan 0.000 0.443 14 Q N -0.469 119.319 119.800 -0.020 0.000 2.119 14 Q HA -0.050 4.303 4.340 0.022 0.000 0.201 14 Q C 2.010 178.004 176.000 -0.011 0.000 0.972 14 Q CA 1.261 57.056 55.803 -0.012 0.000 0.847 14 Q CB -0.280 28.465 28.738 0.011 0.000 0.903 14 Q HN 0.678 nan 8.270 nan 0.000 0.433 15 L N 0.186 121.423 121.223 0.023 0.000 2.056 15 L HA -0.172 4.181 4.340 0.022 0.000 0.207 15 L C 2.647 179.485 176.870 -0.054 0.000 1.078 15 L CA 1.130 56.026 54.840 0.093 0.000 0.749 15 L CB -0.415 41.782 42.059 0.231 0.000 0.901 15 L HN 0.186 nan 8.230 nan 0.000 0.433 16 R N 0.612 120.859 120.500 -0.420 0.000 2.105 16 R HA -0.186 4.167 4.340 0.022 0.000 0.239 16 R C 2.240 178.335 176.300 -0.341 0.000 1.135 16 R CA 1.488 57.041 56.100 -0.912 0.000 0.967 16 R CB -0.208 29.526 30.300 -0.943 0.000 0.861 16 R HN 0.329 nan 8.270 nan 0.000 0.442 17 A N 0.845 123.557 122.820 -0.179 0.000 1.929 17 A HA -0.059 4.274 4.320 0.022 0.000 0.216 17 A C 2.105 179.664 177.584 -0.043 0.000 1.176 17 A CA 1.104 53.085 52.037 -0.094 0.000 0.628 17 A CB -0.337 18.625 19.000 -0.062 0.000 0.816 17 A HN 0.353 nan 8.150 nan 0.000 0.444 18 I N -1.089 119.477 120.570 -0.007 0.000 2.286 18 I HA -0.270 3.913 4.170 0.022 0.000 0.248 18 I C 2.522 178.664 176.117 0.042 0.000 1.115 18 I CA 1.579 62.898 61.300 0.033 0.000 1.392 18 I CB -0.414 37.626 38.000 0.066 0.000 1.065 18 I HN 0.533 nan 8.210 nan 0.000 0.418 19 H N 1.004 120.050 119.070 -0.040 0.000 2.423 19 H HA -0.089 4.480 4.556 0.022 0.000 0.297 19 H C 2.111 177.396 175.328 -0.071 0.000 1.075 19 H CA 1.577 57.608 56.048 -0.027 0.000 1.342 19 H CB 0.392 30.186 29.762 0.053 0.000 1.395 19 H HN 0.361 nan 8.280 nan 0.000 0.530 20 A N 0.295 123.059 122.820 -0.093 0.000 2.081 20 A HA 0.487 4.820 4.320 0.022 0.000 0.214 20 A C 0.965 178.478 177.584 -0.119 0.000 1.158 20 A CA 0.701 52.661 52.037 -0.128 0.000 0.724 20 A CB 0.036 18.993 19.000 -0.071 0.000 0.826 20 A HN 0.494 nan 8.150 nan 0.000 0.463 21 A N -1.378 121.390 122.820 -0.086 0.000 2.610 21 A HA 0.652 4.985 4.320 0.022 0.000 0.291 21 A C -3.222 174.350 177.584 -0.019 0.000 1.086 21 A CA -1.427 50.576 52.037 -0.056 0.000 0.677 21 A CB 0.187 19.163 19.000 -0.040 0.000 1.278 21 A HN -0.030 nan 8.150 nan 0.000 0.414 22 P HA 0.307 nan 4.420 nan 0.000 0.268 22 P C -0.291 177.039 177.300 0.050 0.000 1.208 22 P CA 0.109 63.249 63.100 0.067 0.000 0.777 22 P CB 0.592 32.336 31.700 0.073 0.000 0.875 23 V N 0.713 120.669 119.914 0.070 0.000 3.001 23 V HA 0.746 4.879 4.120 0.022 0.000 0.314 23 V C -0.742 175.378 176.094 0.044 0.000 1.099 23 V CA -1.158 61.171 62.300 0.048 0.000 0.989 23 V CB 2.368 34.221 31.823 0.049 0.000 1.040 23 V HN 0.260 nan 8.190 nan 0.000 0.434 24 R N 3.026 123.545 120.500 0.031 0.000 2.409 24 R HA 0.802 5.155 4.340 0.022 0.000 0.313 24 R C -0.846 175.467 176.300 0.023 0.000 0.953 24 R CA -0.366 55.748 56.100 0.025 0.000 0.849 24 R CB 1.384 31.695 30.300 0.018 0.000 1.171 24 R HN 1.057 nan 8.270 nan 0.000 0.458 25 L N 1.000 122.237 121.223 0.023 0.000 2.350 25 L HA 0.728 5.081 4.340 0.022 0.000 0.260 25 L C -1.414 175.467 176.870 0.018 0.000 1.015 25 L CA -0.858 53.995 54.840 0.022 0.000 0.821 25 L CB 2.288 44.365 42.059 0.029 0.000 1.370 25 L HN 0.655 nan 8.230 nan 0.000 0.416 26 Q N 1.924 121.734 119.800 0.016 0.000 2.379 26 Q HA 0.526 4.879 4.340 0.022 0.000 0.278 26 Q C -1.825 174.184 176.000 0.014 0.000 1.068 26 Q CA -0.953 54.858 55.803 0.013 0.000 0.816 26 Q CB 2.707 31.451 28.738 0.010 0.000 1.387 26 Q HN 0.808 nan 8.270 nan 0.000 0.413 27 L N 2.079 123.310 121.223 0.013 0.000 2.380 27 L HA 0.201 4.554 4.340 0.022 0.000 0.273 27 L C 0.172 177.049 176.870 0.011 0.000 1.138 27 L CA -0.183 54.666 54.840 0.014 0.000 0.832 27 L CB 0.670 42.736 42.059 0.012 0.000 1.124 27 L HN 0.785 nan 8.230 nan 0.000 0.454 28 D N 1.744 122.151 120.400 0.013 0.000 2.455 28 D HA 0.118 4.771 4.640 0.022 0.000 0.241 28 D C 0.994 177.299 176.300 0.007 0.000 1.138 28 D CA 0.481 54.487 54.000 0.010 0.000 0.877 28 D CB 1.476 42.284 40.800 0.013 0.000 1.187 28 D HN 0.602 nan 8.370 nan 0.000 0.451 29 A N 2.658 125.481 122.820 0.005 0.000 1.997 29 A HA -0.228 4.105 4.320 0.022 0.000 0.221 29 A C 2.084 179.668 177.584 0.001 0.000 1.172 29 A CA 2.098 54.136 52.037 0.002 0.000 0.645 29 A CB -0.874 18.127 19.000 0.001 0.000 0.813 29 A HN 0.645 nan 8.150 nan 0.000 0.454 30 S N -0.631 115.071 115.700 0.004 0.000 2.555 30 S HA 0.258 4.741 4.470 0.022 0.000 0.230 30 S C 1.720 176.321 174.600 0.002 0.000 0.978 30 S CA 0.956 59.157 58.200 0.003 0.000 0.934 30 S CB -0.323 62.881 63.200 0.008 0.000 0.766 30 S HN 0.840 nan 8.310 nan 0.000 0.533 31 A N 1.551 124.373 122.820 0.003 0.000 1.975 31 A HA 0.557 4.890 4.320 0.022 0.000 0.215 31 A C 2.465 180.043 177.584 -0.010 0.000 1.170 31 A CA 0.969 53.006 52.037 0.001 0.000 0.656 31 A CB -1.258 17.748 19.000 0.009 0.000 0.821 31 A HN 0.769 nan 8.150 nan 0.000 0.449 32 A N 0.915 123.729 122.820 -0.010 0.000 1.903 32 A HA -0.126 4.207 4.320 0.022 0.000 0.219 32 A C 0.262 177.831 177.584 -0.026 0.000 1.191 32 A CA 2.148 54.175 52.037 -0.016 0.000 0.638 32 A CB -1.798 17.195 19.000 -0.012 0.000 0.823 32 A HN 0.437 nan 8.150 nan 0.000 0.451 33 P HA -0.196 nan 4.420 nan 0.000 0.212 33 P C 1.819 179.085 177.300 -0.057 0.000 1.178 33 P CA 2.300 65.378 63.100 -0.036 0.000 0.915 33 P CB -0.198 31.484 31.700 -0.030 0.000 0.788 34 A N -1.356 121.419 122.820 -0.074 0.000 1.969 34 A HA -0.148 4.185 4.320 0.022 0.000 0.218 34 A C 2.222 179.729 177.584 -0.128 0.000 1.169 34 A CA 1.311 53.270 52.037 -0.130 0.000 0.635 34 A CB -1.597 17.296 19.000 -0.179 0.000 0.810 34 A HN 0.113 nan 8.150 nan 0.000 0.445 35 I N -0.144 120.377 120.570 -0.082 0.000 2.202 35 I HA -0.213 3.970 4.170 0.022 0.000 0.242 35 I C 1.734 177.816 176.117 -0.058 0.000 1.091 35 I CA 1.439 62.700 61.300 -0.064 0.000 1.368 35 I CB -0.355 37.624 38.000 -0.035 0.000 1.058 35 I HN 0.209 nan 8.210 nan 0.000 0.410 36 D N 0.989 121.360 120.400 -0.048 0.000 2.178 36 D HA -0.106 4.547 4.640 0.022 0.000 0.202 36 D C 2.221 178.493 176.300 -0.048 0.000 0.974 36 D CA 1.376 55.351 54.000 -0.041 0.000 0.841 36 D CB -0.153 40.628 40.800 -0.031 0.000 0.953 36 D HN 0.332 nan 8.370 nan 0.000 0.478 37 A N 0.822 123.606 122.820 -0.060 0.000 1.930 37 A HA -0.138 4.195 4.320 0.022 0.000 0.217 37 A C 2.323 179.863 177.584 -0.074 0.000 1.175 37 A CA 1.938 53.937 52.037 -0.063 0.000 0.627 37 A CB -0.489 18.468 19.000 -0.072 0.000 0.815 37 A HN 0.292 nan 8.150 nan 0.000 0.443 38 S N -0.093 115.548 115.700 -0.099 0.000 2.402 38 S HA -0.102 4.381 4.470 0.022 0.000 0.229 38 S C 1.716 176.276 174.600 -0.066 0.000 1.021 38 S CA 1.239 59.381 58.200 -0.097 0.000 0.974 38 S CB -0.832 62.294 63.200 -0.124 0.000 0.800 38 S HN 0.252 nan 8.310 nan 0.000 0.484 39 V N 2.724 122.605 119.914 -0.056 0.000 2.295 39 V HA -0.160 3.973 4.120 0.022 0.000 0.246 39 V C 3.064 179.135 176.094 -0.037 0.000 1.049 39 V CA 1.711 63.985 62.300 -0.043 0.000 1.024 39 V CB -1.519 30.282 31.823 -0.036 0.000 0.648 39 V HN 0.625 nan 8.190 nan 0.000 0.447 40 A N -1.001 121.798 122.820 -0.036 0.000 1.940 40 A HA -0.311 4.023 4.320 0.022 0.000 0.219 40 A C 2.423 179.991 177.584 -0.026 0.000 1.176 40 A CA 2.177 54.197 52.037 -0.029 0.000 0.631 40 A CB -1.193 17.791 19.000 -0.027 0.000 0.814 40 A HN 0.634 nan 8.150 nan 0.000 0.446 41 C N -1.118 118.164 119.300 -0.030 0.000 2.446 41 C HA -0.031 4.442 4.460 0.022 0.000 0.277 41 C C 2.679 177.655 174.990 -0.023 0.000 1.275 41 C CA 1.282 60.287 59.018 -0.022 0.000 1.727 41 C CB -1.362 26.364 27.740 -0.023 0.000 2.010 41 C HN 0.411 nan 8.230 nan 0.000 0.486 42 V N 0.653 120.548 119.914 -0.033 0.000 2.295 42 V HA -0.196 3.937 4.120 0.022 0.000 0.246 42 V C 2.460 178.535 176.094 -0.032 0.000 1.049 42 V CA 2.419 64.697 62.300 -0.035 0.000 1.024 42 V CB -0.810 30.988 31.823 -0.043 0.000 0.648 42 V HN 0.584 nan 8.190 nan 0.000 0.447 43 E N -0.466 119.716 120.200 -0.030 0.000 2.118 43 E HA -0.298 4.065 4.350 0.022 0.000 0.195 43 E C 2.288 178.875 176.600 -0.022 0.000 0.992 43 E CA 1.443 57.827 56.400 -0.027 0.000 0.804 43 E CB -0.094 29.592 29.700 -0.024 0.000 0.741 43 E HN 0.640 nan 8.360 nan 0.000 0.458 44 Q N 0.587 120.375 119.800 -0.019 0.000 2.046 44 Q HA -0.173 4.180 4.340 0.022 0.000 0.200 44 Q C 2.183 178.175 176.000 -0.013 0.000 0.975 44 Q CA 1.074 56.869 55.803 -0.014 0.000 0.836 44 Q CB -0.025 28.707 28.738 -0.010 0.000 0.896 44 Q HN 0.270 nan 8.270 nan 0.000 0.428 45 I N 0.695 121.256 120.570 -0.014 0.000 2.113 45 I HA -0.362 3.822 4.170 0.022 0.000 0.242 45 I C 2.240 178.344 176.117 -0.021 0.000 1.064 45 I CA 1.412 62.703 61.300 -0.015 0.000 1.320 45 I CB -0.248 37.742 38.000 -0.017 0.000 1.028 45 I HN 0.295 nan 8.210 nan 0.000 0.406 46 I N 0.299 120.852 120.570 -0.029 0.000 2.252 46 I HA -0.266 3.917 4.170 0.022 0.000 0.245 46 I C 2.668 178.768 176.117 -0.028 0.000 1.102 46 I CA 1.268 62.547 61.300 -0.036 0.000 1.385 46 I CB -0.465 37.509 38.000 -0.043 0.000 1.064 46 I HN 0.197 nan 8.210 nan 0.000 0.414 47 A N 0.216 123.022 122.820 -0.022 0.000 2.015 47 A HA -0.150 4.183 4.320 0.022 0.000 0.219 47 A C 1.922 179.498 177.584 -0.013 0.000 1.163 47 A CA 1.293 53.321 52.037 -0.016 0.000 0.646 47 A CB -0.410 18.582 19.000 -0.013 0.000 0.806 47 A HN 0.483 nan 8.150 nan 0.000 0.448 48 E N -0.124 120.069 120.200 -0.012 0.000 2.444 48 E HA 0.049 4.413 4.350 0.022 0.000 0.191 48 E C -0.707 175.887 176.600 -0.010 0.000 1.041 48 E CA -0.047 56.348 56.400 -0.009 0.000 0.883 48 E CB 0.028 29.725 29.700 -0.006 0.000 1.024 48 E HN 0.431 nan 8.360 nan 0.000 0.470 49 D N 1.587 121.978 120.400 -0.015 0.000 2.701 49 D HA -0.181 4.472 4.640 0.022 0.000 0.235 49 D C -0.187 176.105 176.300 -0.013 0.000 1.155 49 D CA 0.951 54.941 54.000 -0.017 0.000 0.649 49 D CB -0.605 40.187 40.800 -0.013 0.000 1.050 49 D HN 0.172 nan 8.370 nan 0.000 0.425 50 R N 0.093 120.586 120.500 -0.013 0.000 2.410 50 R HA 0.323 4.676 4.340 0.022 0.000 0.288 50 R C 0.561 176.854 176.300 -0.011 0.000 1.051 50 R CA -0.098 55.998 56.100 -0.007 0.000 1.021 50 R CB 1.140 31.439 30.300 -0.002 0.000 1.032 50 R HN 0.021 nan 8.270 nan 0.000 0.481 51 T N 0.558 115.110 114.554 -0.004 0.000 2.799 51 T HA 0.686 5.049 4.350 0.022 0.000 0.286 51 T C -0.829 173.875 174.700 0.008 0.000 0.973 51 T CA -0.516 61.581 62.100 -0.006 0.000 1.035 51 T CB 0.911 69.778 68.868 -0.001 0.000 0.932 51 T HN 0.567 nan 8.240 nan 0.000 0.469 52 A N 4.704 127.522 122.820 -0.002 0.000 2.375 52 A HA 0.540 4.873 4.320 0.022 0.000 0.295 52 A C -0.947 176.644 177.584 0.013 0.000 1.066 52 A CA -0.842 51.208 52.037 0.022 0.000 0.722 52 A CB 0.743 19.748 19.000 0.009 0.000 1.206 52 A HN 0.978 nan 8.150 nan 0.000 0.435 53 Y N 2.378 122.649 120.300 -0.049 0.000 2.620 53 Y HA 0.336 4.899 4.550 0.021 0.000 0.330 53 Y C 1.375 177.233 175.900 -0.070 0.000 1.186 53 Y CA 1.634 59.692 58.100 -0.070 0.000 1.467 53 Y CB 0.459 38.901 38.460 -0.030 0.000 1.262 53 Y HN 1.822 nan 8.280 nan 0.000 0.550 54 G N 4.871 113.127 108.800 -0.907 0.000 2.179 54 G HA2 -0.294 3.679 3.960 0.022 0.000 0.260 54 G HA3 -0.294 3.679 3.960 0.022 0.000 0.260 54 G C 0.475 175.181 174.900 -0.323 0.000 0.977 54 G CA 0.524 45.203 45.100 -0.701 0.000 0.641 54 G HN 0.564 nan 8.290 nan 0.000 0.533 55 I N 0.811 121.234 120.570 -0.245 0.000 3.523 55 I HA 0.184 4.367 4.170 0.022 0.000 0.244 55 I C 1.656 177.680 176.117 -0.155 0.000 1.110 55 I CA 1.729 62.938 61.300 -0.151 0.000 1.517 55 I CB -0.913 37.033 38.000 -0.090 0.000 1.505 55 I HN 0.365 nan 8.210 nan 0.000 0.460 56 N N 0.915 119.528 118.700 -0.145 0.000 2.238 56 N HA 0.028 4.781 4.740 0.022 0.000 0.235 56 N C 0.155 175.575 175.510 -0.151 0.000 1.209 56 N CA -0.073 52.898 53.050 -0.132 0.000 0.879 56 N CB -0.167 38.264 38.487 -0.093 0.000 1.136 56 N HN 0.320 nan 8.380 nan 0.000 0.517 57 T N -3.619 110.808 114.554 -0.210 0.000 2.936 57 T HA 0.775 5.139 4.350 0.022 0.000 0.282 57 T C 0.809 175.305 174.700 -0.341 0.000 1.003 57 T CA -0.485 61.489 62.100 -0.210 0.000 1.005 57 T CB 1.710 70.493 68.868 -0.142 0.000 1.097 57 T HN 0.116 nan 8.240 nan 0.000 0.532 58 G N -0.389 108.261 108.800 -0.250 0.000 2.510 58 G HA2 0.580 4.553 3.960 0.022 0.000 0.280 58 G HA3 0.580 4.553 3.960 0.022 0.000 0.280 58 G C -1.069 173.597 174.900 -0.390 0.000 1.386 58 G CA -0.925 44.021 45.100 -0.257 0.000 1.047 58 G HN 0.580 nan 8.290 nan 0.000 0.527 59 F N -1.594 118.387 119.950 0.051 0.000 2.572 59 F HA 0.559 5.099 4.527 0.023 0.000 0.342 59 F C 1.554 177.410 175.800 0.093 0.000 1.064 59 F CA 0.485 58.543 58.000 0.097 0.000 1.008 59 F CB 1.344 40.394 39.000 0.084 0.000 1.303 59 F HN 0.850 nan 8.300 nan 0.000 0.492 60 G N 1.245 110.248 108.800 0.337 0.000 2.868 60 G HA2 -0.374 3.600 3.960 0.022 0.000 0.368 60 G HA3 -0.374 3.600 3.960 0.022 0.000 0.368 60 G C 1.359 176.331 174.900 0.121 0.000 1.209 60 G CA 1.006 46.221 45.100 0.192 0.000 1.065 60 G HN 0.599 nan 8.290 nan 0.000 0.679 61 L N -0.730 120.554 121.223 0.101 0.000 2.081 61 L HA -0.019 4.334 4.340 0.022 0.000 0.212 61 L C 2.476 179.381 176.870 0.058 0.000 1.080 61 L CA 1.779 56.660 54.840 0.067 0.000 0.754 61 L CB -0.614 41.480 42.059 0.059 0.000 0.893 61 L HN 0.410 nan 8.230 nan 0.000 0.433 62 L N -0.839 120.424 121.223 0.067 0.000 2.700 62 L HA 0.207 4.561 4.340 0.022 0.000 0.234 62 L C 2.137 179.020 176.870 0.022 0.000 1.156 62 L CA 0.420 55.281 54.840 0.034 0.000 0.946 62 L CB -1.046 41.026 42.059 0.022 0.000 1.216 62 L HN 0.050 nan 8.230 nan 0.000 0.493 63 A N -1.431 121.429 122.820 0.066 0.000 2.186 63 A HA -0.116 4.217 4.320 0.022 0.000 0.219 63 A C 2.267 179.911 177.584 0.099 0.000 1.159 63 A CA 1.749 53.857 52.037 0.119 0.000 0.680 63 A CB -0.111 18.980 19.000 0.150 0.000 0.787 63 A HN 0.324 nan 8.150 nan 0.000 0.467 64 S N -1.679 114.046 115.700 0.042 0.000 2.780 64 S HA 0.188 4.671 4.470 0.022 0.000 0.248 64 S C 0.142 174.746 174.600 0.007 0.000 1.036 64 S CA -0.090 58.126 58.200 0.027 0.000 1.061 64 S CB 0.120 63.330 63.200 0.016 0.000 1.037 64 S HN 0.396 nan 8.310 nan 0.000 0.584 65 T N 2.497 117.049 114.554 -0.003 0.000 2.799 65 T HA 0.351 4.715 4.350 0.022 0.000 0.286 65 T C -0.071 174.608 174.700 -0.036 0.000 0.973 65 T CA -0.372 61.720 62.100 -0.014 0.000 1.035 65 T CB 0.923 69.787 68.868 -0.007 0.000 0.932 65 T HN 0.168 nan 8.240 nan 0.000 0.469 66 R N 3.172 123.651 120.500 -0.034 0.000 2.878 66 R HA 0.217 4.570 4.340 0.022 0.000 0.239 66 R C 0.415 176.678 176.300 -0.061 0.000 1.515 66 R CA -0.210 55.859 56.100 -0.052 0.000 1.210 66 R CB -0.522 29.752 30.300 -0.044 0.000 1.209 66 R HN 0.614 nan 8.270 nan 0.000 0.610 67 I N 2.228 122.755 120.570 -0.073 0.000 3.076 67 I HA -0.237 3.946 4.170 0.022 0.000 0.321 67 I C 1.043 177.098 176.117 -0.104 0.000 1.216 67 I CA 0.431 61.687 61.300 -0.073 0.000 1.460 67 I CB 0.201 38.150 38.000 -0.086 0.000 1.313 67 I HN 0.594 nan 8.210 nan 0.000 0.546 68 A N 5.348 128.108 122.820 -0.101 0.000 2.531 68 A HA 0.032 4.365 4.320 0.022 0.000 0.236 68 A C 1.505 178.855 177.584 -0.390 0.000 1.062 68 A CA 0.622 52.524 52.037 -0.225 0.000 0.760 68 A CB 0.481 19.425 19.000 -0.093 0.000 0.995 68 A HN 0.935 nan 8.150 nan 0.000 0.501 69 S N 1.659 117.001 115.700 -0.597 0.000 2.389 69 S HA -0.321 4.163 4.470 0.022 0.000 0.231 69 S C 1.603 176.013 174.600 -0.317 0.000 1.052 69 S CA 2.634 60.570 58.200 -0.440 0.000 1.053 69 S CB -0.960 62.005 63.200 -0.391 0.000 0.886 69 S HN 0.904 nan 8.310 nan 0.000 0.456 70 H N 1.017 120.079 119.070 -0.013 0.000 2.293 70 H HA 0.001 4.570 4.556 0.022 0.000 0.300 70 H C 1.781 177.104 175.328 -0.008 0.000 1.082 70 H CA 1.453 57.495 56.048 -0.010 0.000 1.308 70 H CB -0.461 29.297 29.762 -0.007 0.000 1.375 70 H HN 0.429 nan 8.280 nan 0.000 0.495 71 D N 0.483 120.917 120.400 0.057 0.000 2.348 71 D HA -0.071 4.582 4.640 0.022 0.000 0.216 71 D C 1.973 178.267 176.300 -0.010 0.000 0.970 71 D CA 0.237 54.255 54.000 0.030 0.000 0.889 71 D CB -0.053 40.763 40.800 0.027 0.000 0.912 71 D HN 0.214 nan 8.370 nan 0.000 0.524 72 L N 1.165 122.357 121.223 -0.053 0.000 2.044 72 L HA -0.052 4.301 4.340 0.022 0.000 0.205 72 L C 2.045 178.892 176.870 -0.039 0.000 1.075 72 L CA 1.723 56.523 54.840 -0.066 0.000 0.747 72 L CB -0.532 41.465 42.059 -0.103 0.000 0.903 72 L HN -0.112 nan 8.230 nan 0.000 0.435 73 E N -0.551 119.633 120.200 -0.028 0.000 2.051 73 E HA -0.251 4.112 4.350 0.022 0.000 0.192 73 E C 1.818 178.418 176.600 -0.001 0.000 0.991 73 E CA 1.663 58.056 56.400 -0.012 0.000 0.799 73 E CB -0.015 29.686 29.700 0.002 0.000 0.748 73 E HN 0.618 nan 8.360 nan 0.000 0.449 74 N N 0.071 118.777 118.700 0.011 0.000 2.354 74 N HA -0.107 4.646 4.740 0.022 0.000 0.179 74 N C 1.588 177.107 175.510 0.014 0.000 1.021 74 N CA 0.295 53.353 53.050 0.014 0.000 0.887 74 N CB -0.011 38.490 38.487 0.023 0.000 0.974 74 N HN 0.093 nan 8.380 nan 0.000 0.437 75 L N 1.019 122.253 121.223 0.019 0.000 2.127 75 L HA -0.183 4.170 4.340 0.022 0.000 0.211 75 L C 1.705 178.590 176.870 0.025 0.000 1.089 75 L CA 1.715 56.579 54.840 0.040 0.000 0.757 75 L CB -0.489 41.599 42.059 0.048 0.000 0.899 75 L HN 0.169 nan 8.230 nan 0.000 0.434 76 Q N -0.182 119.618 119.800 0.000 0.000 2.079 76 Q HA -0.201 4.152 4.340 0.022 0.000 0.200 76 Q C 2.386 178.366 176.000 -0.035 0.000 0.974 76 Q CA 1.772 57.563 55.803 -0.020 0.000 0.840 76 Q CB -0.538 28.185 28.738 -0.024 0.000 0.898 76 Q HN 0.624 nan 8.270 nan 0.000 0.430 77 R N 0.852 121.339 120.500 -0.022 0.000 2.073 77 R HA -0.130 4.223 4.340 0.022 0.000 0.234 77 R C 2.486 178.767 176.300 -0.031 0.000 1.134 77 R CA 1.751 57.837 56.100 -0.024 0.000 0.952 77 R CB -0.228 30.064 30.300 -0.012 0.000 0.850 77 R HN 0.274 nan 8.270 nan 0.000 0.433 78 S N 0.354 116.044 115.700 -0.018 0.000 2.383 78 S HA -0.144 4.339 4.470 0.022 0.000 0.229 78 S C 2.061 176.638 174.600 -0.038 0.000 1.030 78 S CA 1.170 59.363 58.200 -0.011 0.000 1.002 78 S CB -0.323 62.884 63.200 0.013 0.000 0.829 78 S HN 0.405 nan 8.310 nan 0.000 0.467 79 L N 0.763 121.927 121.223 -0.097 0.000 1.994 79 L HA -0.065 4.288 4.340 0.022 0.000 0.208 79 L C 2.787 179.470 176.870 -0.313 0.000 1.071 79 L CA 1.476 56.135 54.840 -0.300 0.000 0.745 79 L CB -0.629 41.219 42.059 -0.351 0.000 0.892 79 L HN 0.247 nan 8.230 nan 0.000 0.431 80 V N 0.049 119.857 119.914 -0.177 0.000 2.287 80 V HA -0.324 3.809 4.120 0.022 0.000 0.248 80 V C 2.384 178.444 176.094 -0.055 0.000 1.053 80 V CA 1.817 64.055 62.300 -0.104 0.000 1.027 80 V CB -0.427 31.354 31.823 -0.070 0.000 0.646 80 V HN 0.332 nan 8.190 nan 0.000 0.447 81 L N 0.745 121.942 121.223 -0.044 0.000 2.012 81 L HA -0.192 4.162 4.340 0.022 0.000 0.210 81 L C 2.739 179.603 176.870 -0.008 0.000 1.073 81 L CA 2.121 56.939 54.840 -0.037 0.000 0.748 81 L CB -0.753 41.291 42.059 -0.024 0.000 0.891 81 L HN 0.574 nan 8.230 nan 0.000 0.431 82 S N -1.766 113.962 115.700 0.048 0.000 2.428 82 S HA -0.183 4.300 4.470 0.022 0.000 0.230 82 S C 1.778 176.460 174.600 0.136 0.000 1.014 82 S CA 0.856 59.111 58.200 0.092 0.000 0.957 82 S CB -0.484 62.790 63.200 0.123 0.000 0.784 82 S HN 0.444 nan 8.310 nan 0.000 0.499 83 H N 1.907 120.931 119.070 -0.076 0.000 2.512 83 H HA 0.492 5.061 4.556 0.023 0.000 0.279 83 H C 1.307 176.592 175.328 -0.070 0.000 0.999 83 H CA 0.171 56.180 56.048 -0.066 0.000 1.283 83 H CB -0.466 29.258 29.762 -0.063 0.000 1.421 83 H HN 0.558 nan 8.280 nan 0.000 0.554 84 A N 0.901 123.691 122.820 -0.050 0.000 3.030 84 A HA 0.475 4.809 4.320 0.022 0.000 0.273 84 A C 0.879 178.386 177.584 -0.128 0.000 1.841 84 A CA 0.548 52.364 52.037 -0.368 0.000 1.479 84 A CB -1.018 17.604 19.000 -0.630 0.000 1.048 84 A HN 0.392 nan 8.150 nan 0.000 0.612 85 A N 1.373 124.269 122.820 0.127 0.000 2.643 85 A HA 0.580 4.913 4.320 0.022 0.000 0.295 85 A C 0.926 178.634 177.584 0.206 0.000 1.065 85 A CA 0.310 52.434 52.037 0.146 0.000 0.986 85 A CB -0.285 18.734 19.000 0.030 0.000 1.212 85 A HN 0.951 nan 8.150 nan 0.000 0.516 86 G N -0.274 108.773 108.800 0.411 0.000 2.562 86 G HA2 0.548 4.521 3.960 0.022 0.000 0.275 86 G HA3 0.548 4.521 3.960 0.022 0.000 0.275 86 G C -0.314 174.603 174.900 0.027 0.000 1.196 86 G CA -0.227 44.937 45.100 0.106 0.000 0.908 86 G HN 0.394 nan 8.290 nan 0.000 0.524 87 I N -1.260 119.302 120.570 -0.013 0.000 3.066 87 I HA 0.623 4.806 4.170 0.022 0.000 0.307 87 I C 0.366 176.485 176.117 0.004 0.000 1.366 87 I CA 0.729 62.032 61.300 0.005 0.000 0.972 87 I CB 1.600 39.612 38.000 0.021 0.000 1.307 87 I HN 1.485 nan 8.210 nan 0.000 0.470 88 G N 2.894 111.707 108.800 0.021 0.000 2.610 88 G HA2 0.251 4.225 3.960 0.022 0.000 0.304 88 G HA3 0.251 4.225 3.960 0.022 0.000 0.304 88 G C -0.427 174.502 174.900 0.048 0.000 1.309 88 G CA -0.165 44.953 45.100 0.030 0.000 0.906 88 G HN 1.470 nan 8.290 nan 0.000 0.521 89 A N 0.766 123.621 122.820 0.057 0.000 2.520 89 A HA 0.598 4.932 4.320 0.022 0.000 0.235 89 A C -1.635 175.993 177.584 0.073 0.000 1.065 89 A CA 0.241 52.327 52.037 0.083 0.000 0.764 89 A CB -0.365 18.685 19.000 0.084 0.000 1.002 89 A HN 0.660 nan 8.150 nan 0.000 0.502 90 P HA 0.157 nan 4.420 nan 0.000 0.267 90 P C -0.391 176.954 177.300 0.074 0.000 1.205 90 P CA 0.173 63.327 63.100 0.090 0.000 0.765 90 P CB 0.304 32.236 31.700 0.388 0.000 0.828 91 L N 2.874 124.107 121.223 0.016 0.000 2.467 91 L HA 0.087 4.441 4.340 0.022 0.000 0.270 91 L C 1.056 177.929 176.870 0.004 0.000 1.205 91 L CA -0.159 54.693 54.840 0.020 0.000 0.828 91 L CB -0.067 42.018 42.059 0.043 0.000 1.101 91 L HN 0.468 nan 8.230 nan 0.000 0.479 92 D N -0.492 119.864 120.400 -0.073 0.000 2.344 92 D HA 0.023 4.676 4.640 0.022 0.000 0.244 92 D C 0.375 176.560 176.300 -0.191 0.000 1.134 92 D CA -0.568 53.359 54.000 -0.120 0.000 0.930 92 D CB 0.732 41.438 40.800 -0.156 0.000 1.175 92 D HN 0.371 nan 8.370 nan 0.000 0.437 93 D N 0.213 120.441 120.400 -0.286 0.000 2.133 93 D HA -0.170 4.484 4.640 0.022 0.000 0.195 93 D C 1.216 177.124 176.300 -0.654 0.000 0.997 93 D CA 1.097 54.745 54.000 -0.588 0.000 0.840 93 D CB -0.210 40.164 40.800 -0.709 0.000 0.947 93 D HN 0.447 nan 8.370 nan 0.000 0.452 94 D N -0.110 120.020 120.400 -0.451 0.000 2.104 94 D HA -0.132 4.521 4.640 0.022 0.000 0.194 94 D C 2.086 178.219 176.300 -0.277 0.000 0.994 94 D CA 0.454 54.213 54.000 -0.401 0.000 0.830 94 D CB -0.301 40.225 40.800 -0.456 0.000 0.959 94 D HN 0.123 nan 8.370 nan 0.000 0.452 95 L N 0.310 121.403 121.223 -0.217 0.000 2.156 95 L HA -0.073 4.280 4.340 0.022 0.000 0.208 95 L C 2.247 179.117 176.870 -0.000 0.000 1.095 95 L CA 0.965 55.768 54.840 -0.061 0.000 0.770 95 L CB -0.299 41.701 42.059 -0.097 0.000 0.914 95 L HN -0.117 nan 8.230 nan 0.000 0.439 96 V N -0.387 119.494 119.914 -0.054 0.000 2.343 96 V HA -0.289 3.844 4.120 0.022 0.000 0.247 96 V C 2.721 178.858 176.094 0.072 0.000 1.051 96 V CA 1.957 64.278 62.300 0.034 0.000 1.036 96 V CB -0.680 31.180 31.823 0.062 0.000 0.654 96 V HN 0.480 nan 8.190 nan 0.000 0.451 97 R N -0.309 120.176 120.500 -0.025 0.000 2.083 97 R HA -0.218 4.135 4.340 0.022 0.000 0.237 97 R C 2.289 178.649 176.300 0.100 0.000 1.137 97 R CA 2.016 58.178 56.100 0.104 0.000 0.951 97 R CB -0.432 29.882 30.300 0.024 0.000 0.851 97 R HN 0.427 nan 8.270 nan 0.000 0.434 98 L N 1.141 122.410 121.223 0.078 0.000 1.989 98 L HA -0.166 4.187 4.340 0.022 0.000 0.211 98 L C 2.079 179.012 176.870 0.104 0.000 1.071 98 L CA 1.767 56.677 54.840 0.116 0.000 0.749 98 L CB -0.483 41.680 42.059 0.173 0.000 0.890 98 L HN 0.277 nan 8.230 nan 0.000 0.431 99 I N -1.089 119.542 120.570 0.102 0.000 2.118 99 I HA -0.411 3.772 4.170 0.022 0.000 0.241 99 I C 2.532 178.700 176.117 0.084 0.000 1.070 99 I CA 2.072 63.424 61.300 0.086 0.000 1.327 99 I CB -0.370 37.685 38.000 0.091 0.000 1.034 99 I HN 0.328 nan 8.210 nan 0.000 0.405 100 M N -0.146 119.515 119.600 0.103 0.000 2.082 100 M HA -0.211 4.283 4.480 0.022 0.000 0.258 100 M C 2.356 178.706 176.300 0.084 0.000 1.069 100 M CA 1.685 57.045 55.300 0.100 0.000 1.102 100 M CB -0.556 32.123 32.600 0.131 0.000 1.336 100 M HN 0.103 nan 8.290 nan 0.000 0.404 101 V N 0.540 120.508 119.914 0.089 0.000 2.515 101 V HA -0.211 3.922 4.120 0.022 0.000 0.250 101 V C 2.252 178.385 176.094 0.065 0.000 1.058 101 V CA 1.390 63.735 62.300 0.076 0.000 1.064 101 V CB -0.623 31.248 31.823 0.080 0.000 0.675 101 V HN 0.462 nan 8.190 nan 0.000 0.461 102 L N -0.113 121.150 121.223 0.066 0.000 2.093 102 L HA -0.166 4.187 4.340 0.022 0.000 0.208 102 L C 2.599 179.497 176.870 0.046 0.000 1.085 102 L CA 1.465 56.338 54.840 0.054 0.000 0.755 102 L CB -0.507 41.581 42.059 0.048 0.000 0.904 102 L HN 0.287 nan 8.230 nan 0.000 0.435 103 K N 1.121 121.549 120.400 0.048 0.000 2.025 103 K HA -0.121 4.212 4.320 0.022 0.000 0.207 103 K C 1.831 178.456 176.600 0.042 0.000 1.049 103 K CA 1.514 57.826 56.287 0.042 0.000 0.933 103 K CB -0.393 32.133 32.500 0.044 0.000 0.714 103 K HN 0.136 nan 8.250 nan 0.000 0.438 104 I N 1.122 121.719 120.570 0.045 0.000 2.118 104 I HA -0.346 3.838 4.170 0.022 0.000 0.241 104 I C 2.199 178.341 176.117 0.042 0.000 1.070 104 I CA 1.690 63.015 61.300 0.041 0.000 1.327 104 I CB -0.547 37.478 38.000 0.043 0.000 1.034 104 I HN 0.314 nan 8.210 nan 0.000 0.405 105 N N 0.242 118.970 118.700 0.046 0.000 2.061 105 N HA -0.237 4.516 4.740 0.022 0.000 0.193 105 N C 1.987 177.529 175.510 0.053 0.000 1.030 105 N CA 2.011 55.090 53.050 0.048 0.000 0.856 105 N CB -0.200 38.315 38.487 0.047 0.000 1.023 105 N HN 0.292 nan 8.380 nan 0.000 0.424 106 S N -0.558 115.171 115.700 0.049 0.000 2.371 106 S HA 0.034 4.517 4.470 0.022 0.000 0.224 106 S C 1.977 176.618 174.600 0.068 0.000 1.029 106 S CA 0.749 58.981 58.200 0.053 0.000 0.978 106 S CB -0.383 62.839 63.200 0.037 0.000 0.833 106 S HN 0.385 nan 8.310 nan 0.000 0.466 107 L N 1.147 122.401 121.223 0.052 0.000 2.141 107 L HA 0.004 4.357 4.340 0.022 0.000 0.209 107 L C 2.529 179.429 176.870 0.050 0.000 1.094 107 L CA 1.066 55.934 54.840 0.048 0.000 0.763 107 L CB -0.554 41.523 42.059 0.030 0.000 0.908 107 L HN 0.284 nan 8.230 nan 0.000 0.437 108 S N -0.596 115.133 115.700 0.049 0.000 2.555 108 S HA -0.019 4.464 4.470 0.022 0.000 0.230 108 S C 1.813 176.446 174.600 0.055 0.000 0.978 108 S CA 0.517 58.741 58.200 0.040 0.000 0.934 108 S CB -0.189 63.033 63.200 0.037 0.000 0.766 108 S HN 0.335 nan 8.310 nan 0.000 0.533 109 R N 0.326 120.889 120.500 0.105 0.000 2.307 109 R HA 0.071 4.424 4.340 0.022 0.000 0.199 109 R C 1.574 177.935 176.300 0.101 0.000 1.000 109 R CA 0.546 56.750 56.100 0.174 0.000 1.023 109 R CB -0.120 30.353 30.300 0.288 0.000 0.908 109 R HN 0.454 nan 8.270 nan 0.000 0.473 110 G N 0.070 108.877 108.800 0.012 0.000 2.159 110 G HA2 -0.274 3.699 3.960 0.022 0.000 0.256 110 G HA3 -0.274 3.699 3.960 0.022 0.000 0.256 110 G C 0.388 175.096 174.900 -0.319 0.000 0.977 110 G CA -0.077 44.924 45.100 -0.165 0.000 0.652 110 G HN 0.379 nan 8.290 nan 0.000 0.531 111 F N 1.072 120.978 119.950 -0.074 0.000 2.641 111 F HA 0.359 4.900 4.527 0.023 0.000 0.302 111 F C 1.924 177.620 175.800 -0.172 0.000 1.098 111 F CA 0.766 58.668 58.000 -0.163 0.000 1.318 111 F CB 0.980 39.865 39.000 -0.193 0.000 1.035 111 F HN 0.174 nan 8.300 nan 0.000 0.551 112 S N -0.775 114.936 115.700 0.018 0.000 2.512 112 S HA 0.263 4.746 4.470 0.022 0.000 0.216 112 S C 1.732 176.310 174.600 -0.037 0.000 1.006 112 S CA 0.447 58.644 58.200 -0.005 0.000 0.915 112 S CB 0.551 63.761 63.200 0.016 0.000 0.824 112 S HN 0.466 nan 8.310 nan 0.000 0.497 113 G N 2.027 110.796 108.800 -0.052 0.000 2.160 113 G HA2 -0.273 3.700 3.960 0.022 0.000 0.251 113 G HA3 -0.273 3.700 3.960 0.022 0.000 0.251 113 G C -0.001 174.875 174.900 -0.040 0.000 1.008 113 G CA 0.394 45.462 45.100 -0.054 0.000 0.724 113 G HN 0.556 nan 8.290 nan 0.000 0.514 114 I N -0.006 120.545 120.570 -0.031 0.000 2.437 114 I HA 0.567 4.750 4.170 0.022 0.000 0.298 114 I C 0.894 176.998 176.117 -0.022 0.000 0.984 114 I CA -1.438 59.849 61.300 -0.023 0.000 1.214 114 I CB 0.619 38.610 38.000 -0.013 0.000 1.365 114 I HN 0.139 nan 8.210 nan 0.000 0.469 115 R N 5.107 125.596 120.500 -0.020 0.000 2.570 115 R HA 0.042 4.395 4.340 0.022 0.000 0.277 115 R C 1.089 177.381 176.300 -0.013 0.000 1.039 115 R CA 0.042 56.132 56.100 -0.018 0.000 1.065 115 R CB 0.384 30.675 30.300 -0.016 0.000 0.964 115 R HN 0.603 nan 8.270 nan 0.000 0.428 116 R N 2.911 123.403 120.500 -0.013 0.000 2.139 116 R HA -0.224 4.129 4.340 0.022 0.000 0.243 116 R C 1.611 177.908 176.300 -0.006 0.000 1.145 116 R CA 2.142 58.236 56.100 -0.009 0.000 0.976 116 R CB 0.070 30.364 30.300 -0.010 0.000 0.866 116 R HN 0.593 nan 8.270 nan 0.000 0.449 117 K N -0.759 119.636 120.400 -0.007 0.000 2.148 117 K HA -0.059 4.274 4.320 0.022 0.000 0.204 117 K C 1.734 178.331 176.600 -0.004 0.000 1.050 117 K CA 1.504 57.788 56.287 -0.006 0.000 0.942 117 K CB -0.129 32.366 32.500 -0.008 0.000 0.724 117 K HN 0.041 nan 8.250 nan 0.000 0.446 118 V N 2.386 122.297 119.914 -0.004 0.000 2.307 118 V HA -0.210 3.924 4.120 0.022 0.000 0.245 118 V C 2.445 178.541 176.094 0.004 0.000 1.045 118 V CA 1.478 63.778 62.300 -0.001 0.000 1.024 118 V CB -0.502 31.319 31.823 -0.003 0.000 0.651 118 V HN 0.264 nan 8.190 nan 0.000 0.449 119 I N 0.384 120.957 120.570 0.004 0.000 2.151 119 I HA -0.273 3.910 4.170 0.022 0.000 0.243 119 I C 2.319 178.442 176.117 0.010 0.000 1.080 119 I CA 1.777 63.083 61.300 0.010 0.000 1.339 119 I CB -0.625 37.380 38.000 0.010 0.000 1.039 119 I HN 0.317 nan 8.210 nan 0.000 0.409 120 D N 1.038 121.440 120.400 0.005 0.000 2.178 120 D HA -0.139 4.514 4.640 0.022 0.000 0.201 120 D C 2.242 178.543 176.300 0.002 0.000 0.980 120 D CA 1.485 55.487 54.000 0.003 0.000 0.842 120 D CB -0.074 40.725 40.800 -0.001 0.000 0.948 120 D HN 0.386 nan 8.370 nan 0.000 0.472 121 A N 0.827 123.647 122.820 0.001 0.000 1.877 121 A HA -0.132 4.202 4.320 0.022 0.000 0.216 121 A C 2.415 180.001 177.584 0.004 0.000 1.186 121 A CA 0.872 52.909 52.037 -0.001 0.000 0.620 121 A CB -0.817 18.183 19.000 -0.001 0.000 0.822 121 A HN 0.202 nan 8.150 nan 0.000 0.443 122 L N -0.526 120.705 121.223 0.013 0.000 2.042 122 L HA -0.209 4.144 4.340 0.022 0.000 0.210 122 L C 2.490 179.373 176.870 0.022 0.000 1.076 122 L CA 1.330 56.185 54.840 0.024 0.000 0.749 122 L CB -0.531 41.548 42.059 0.033 0.000 0.893 122 L HN 0.398 nan 8.230 nan 0.000 0.432 123 I N -0.276 120.305 120.570 0.018 0.000 2.286 123 I HA -0.274 3.909 4.170 0.022 0.000 0.248 123 I C 2.777 178.896 176.117 0.005 0.000 1.115 123 I CA 1.080 62.390 61.300 0.017 0.000 1.392 123 I CB -0.441 37.568 38.000 0.015 0.000 1.065 123 I HN 0.209 nan 8.210 nan 0.000 0.418 124 A N 0.888 123.705 122.820 -0.005 0.000 1.933 124 A HA -0.155 4.178 4.320 0.022 0.000 0.218 124 A C 2.274 179.837 177.584 -0.034 0.000 1.175 124 A CA 1.388 53.414 52.037 -0.018 0.000 0.628 124 A CB -0.721 18.266 19.000 -0.022 0.000 0.814 124 A HN 0.377 nan 8.150 nan 0.000 0.444 125 L N -0.773 120.431 121.223 -0.031 0.000 2.056 125 L HA -0.137 4.216 4.340 0.022 0.000 0.207 125 L C 2.531 179.348 176.870 -0.089 0.000 1.078 125 L CA 0.904 55.708 54.840 -0.060 0.000 0.749 125 L CB -0.521 41.521 42.059 -0.029 0.000 0.901 125 L HN 0.235 nan 8.230 nan 0.000 0.433 126 V N 0.163 120.062 119.914 -0.026 0.000 2.233 126 V HA -0.305 3.828 4.120 0.022 0.000 0.247 126 V C 2.228 178.311 176.094 -0.019 0.000 1.050 126 V CA 2.052 64.355 62.300 0.005 0.000 1.010 126 V CB -0.720 31.142 31.823 0.065 0.000 0.637 126 V HN 0.484 nan 8.190 nan 0.000 0.444 127 N N 0.620 119.315 118.700 -0.008 0.000 2.149 127 N HA -0.138 4.616 4.740 0.022 0.000 0.188 127 N C 1.636 177.138 175.510 -0.014 0.000 1.019 127 N CA 1.685 54.734 53.050 -0.002 0.000 0.857 127 N CB -0.507 37.979 38.487 -0.001 0.000 0.997 127 N HN 0.536 nan 8.380 nan 0.000 0.426 128 A N 0.325 123.117 122.820 -0.046 0.000 2.208 128 A HA 0.028 4.361 4.320 0.022 0.000 0.209 128 A C 0.301 177.874 177.584 -0.019 0.000 1.161 128 A CA 0.201 52.214 52.037 -0.041 0.000 0.782 128 A CB -0.266 18.674 19.000 -0.101 0.000 0.816 128 A HN 0.357 nan 8.150 nan 0.000 0.477 129 E N -1.245 118.862 120.200 -0.154 0.000 2.416 129 E HA -0.134 4.229 4.350 0.022 0.000 0.249 129 E C -0.905 175.368 176.600 -0.545 0.000 1.124 129 E CA 0.461 56.631 56.400 -0.384 0.000 0.732 129 E CB -1.915 27.765 29.700 -0.033 0.000 1.286 129 E HN 0.281 nan 8.360 nan 0.000 0.394 130 V N 1.828 121.405 119.914 -0.562 0.000 2.334 130 V HA 0.287 4.420 4.120 0.022 0.000 0.281 130 V C -0.494 175.368 176.094 -0.387 0.000 1.016 130 V CA -0.428 61.678 62.300 -0.324 0.000 0.832 130 V CB 0.331 32.055 31.823 -0.165 0.000 0.999 130 V HN 0.155 nan 8.190 nan 0.000 0.439 131 Y N 6.084 126.458 120.300 0.124 0.000 2.402 131 Y HA 0.474 5.038 4.550 0.023 0.000 0.332 131 Y C -2.234 173.783 175.900 0.195 0.000 0.960 131 Y CA -3.484 54.687 58.100 0.119 0.000 1.228 131 Y CB 1.090 39.592 38.460 0.069 0.000 1.120 131 Y HN 0.470 nan 8.280 nan 0.000 0.491 132 P HA -0.093 nan 4.420 nan 0.000 0.267 132 P C -0.030 177.516 177.300 0.410 0.000 1.200 132 P CA 0.219 63.511 63.100 0.321 0.000 0.772 132 P CB 0.430 32.266 31.700 0.227 0.000 0.855 133 H N 4.150 123.440 119.070 0.366 0.000 3.004 133 H HA 0.150 4.720 4.556 0.022 0.000 0.316 133 H C -0.681 174.758 175.328 0.185 0.000 1.014 133 H CA 0.653 56.866 56.048 0.276 0.000 1.454 133 H CB -0.047 29.642 29.762 -0.121 0.000 1.472 133 H HN 0.275 nan 8.280 nan 0.000 0.571 134 I N 8.711 129.034 120.570 -0.412 0.000 2.478 134 I HA 0.225 4.408 4.170 0.022 0.000 0.287 134 I C -2.509 173.281 176.117 -0.545 0.000 1.042 134 I CA -2.079 59.019 61.300 -0.336 0.000 1.067 134 I CB 2.519 40.502 38.000 -0.029 0.000 1.233 134 I HN 0.458 nan 8.210 nan 0.000 0.431 135 P HA 0.147 nan 4.420 nan 0.000 0.281 135 P C 0.439 177.686 177.300 -0.088 0.000 1.249 135 P CA -0.562 62.363 63.100 -0.292 0.000 0.810 135 P CB 1.859 33.413 31.700 -0.244 0.000 1.008 136 L N 1.446 122.670 121.223 0.001 0.000 2.093 136 L HA -0.016 4.338 4.340 0.022 0.000 0.208 136 L C 0.751 177.689 176.870 0.113 0.000 1.085 136 L CA 1.992 56.889 54.840 0.094 0.000 0.755 136 L CB -0.535 41.564 42.059 0.066 0.000 0.904 136 L HN 0.331 nan 8.230 nan 0.000 0.435 137 K N -2.370 118.057 120.400 0.044 0.000 2.295 137 K HA 0.630 4.963 4.320 0.022 0.000 0.239 137 K C 0.248 176.861 176.600 0.021 0.000 0.991 137 K CA -0.148 56.163 56.287 0.040 0.000 0.845 137 K CB 1.691 34.201 32.500 0.016 0.000 1.197 137 K HN -0.003 nan 8.250 nan 0.000 0.441 138 G N 0.118 108.927 108.800 0.014 0.000 3.288 138 G HA2 -0.215 3.758 3.960 0.022 0.000 0.195 138 G HA3 -0.215 3.758 3.960 0.022 0.000 0.195 138 G C 0.059 174.952 174.900 -0.012 0.000 1.093 138 G CA -0.197 44.906 45.100 0.006 0.000 0.852 138 G HN 0.518 nan 8.290 nan 0.000 0.453 139 S N 0.774 116.464 115.700 -0.018 0.000 2.562 139 S HA 0.392 4.876 4.470 0.022 0.000 0.281 139 S C 1.569 176.130 174.600 -0.064 0.000 1.333 139 S CA 0.504 58.675 58.200 -0.049 0.000 1.052 139 S CB 1.378 64.531 63.200 -0.078 0.000 0.884 139 S HN 1.545 nan 8.310 nan 0.000 0.506 140 V N 2.210 122.077 119.914 -0.080 0.000 3.542 140 V HA 0.505 4.638 4.120 0.022 0.000 0.296 140 V C 1.083 177.097 176.094 -0.134 0.000 1.364 140 V CA 0.213 62.454 62.300 -0.098 0.000 1.118 140 V CB -0.707 31.056 31.823 -0.101 0.000 0.972 140 V HN 1.352 nan 8.190 nan 0.000 0.430 141 G N 0.004 108.726 108.800 -0.130 0.000 2.314 141 G HA2 0.127 4.100 3.960 0.022 0.000 0.292 141 G HA3 0.127 4.100 3.960 0.022 0.000 0.292 141 G C 0.207 174.985 174.900 -0.203 0.000 1.059 141 G CA 0.547 45.562 45.100 -0.143 0.000 0.982 141 G HN 1.600 nan 8.290 nan 0.000 0.505 142 A N -0.815 121.900 122.820 -0.174 0.000 4.106 142 A HA 1.055 5.388 4.320 0.022 0.000 0.175 142 A C 2.227 179.774 177.584 -0.062 0.000 0.668 142 A CA 1.331 53.264 52.037 -0.173 0.000 0.819 142 A CB -0.907 17.937 19.000 -0.261 0.000 1.738 142 A HN 2.015 nan 8.150 nan 0.000 0.848 143 S N -1.354 114.331 115.700 -0.024 0.000 2.498 143 S HA 0.123 4.606 4.470 0.022 0.000 0.327 143 S C 2.487 177.090 174.600 0.004 0.000 1.055 143 S CA 2.553 60.761 58.200 0.012 0.000 1.107 143 S CB -1.548 61.678 63.200 0.043 0.000 0.593 143 S HN 2.749 nan 8.310 nan 0.000 0.517 144 G N 0.074 108.855 108.800 -0.032 0.000 2.514 144 G HA2 -0.212 3.762 3.960 0.022 0.000 0.265 144 G HA3 -0.212 3.762 3.960 0.022 0.000 0.265 144 G C -0.382 174.488 174.900 -0.051 0.000 1.150 144 G CA 0.226 45.301 45.100 -0.041 0.000 0.959 144 G HN 0.663 nan 8.290 nan 0.000 0.556 145 D N 1.923 122.299 120.400 -0.040 0.000 3.133 145 D HA 0.402 5.055 4.640 0.022 0.000 0.288 145 D C 2.102 178.403 176.300 0.000 0.000 1.346 145 D CA -0.178 53.793 54.000 -0.047 0.000 0.934 145 D CB 0.121 40.870 40.800 -0.085 0.000 1.042 145 D HN 0.392 nan 8.370 nan 0.000 0.506 146 L N 0.539 121.773 121.223 0.017 0.000 1.990 146 L HA -0.246 4.107 4.340 0.022 0.000 0.213 146 L C 2.543 179.468 176.870 0.092 0.000 1.072 146 L CA 1.640 56.522 54.840 0.070 0.000 0.755 146 L CB -0.506 41.591 42.059 0.063 0.000 0.889 146 L HN 0.176 nan 8.230 nan 0.000 0.432 147 A N 0.408 123.273 122.820 0.074 0.000 1.845 147 A HA -0.104 4.229 4.320 0.022 0.000 0.215 147 A C 0.099 177.834 177.584 0.252 0.000 1.195 147 A CA 1.832 53.964 52.037 0.158 0.000 0.616 147 A CB -1.891 17.186 19.000 0.129 0.000 0.832 147 A HN 0.325 nan 8.150 nan 0.000 0.443 148 P HA -0.114 nan 4.420 nan 0.000 0.216 148 P C 1.535 178.919 177.300 0.140 0.000 1.153 148 P CA 0.965 64.142 63.100 0.128 0.000 0.848 148 P CB -0.224 31.500 31.700 0.039 0.000 0.787 149 L N -0.781 120.498 121.223 0.093 0.000 2.141 149 L HA -0.090 4.263 4.340 0.022 0.000 0.209 149 L C 2.718 179.642 176.870 0.090 0.000 1.094 149 L CA 1.342 56.231 54.840 0.080 0.000 0.763 149 L CB -1.085 41.003 42.059 0.049 0.000 0.908 149 L HN -0.053 nan 8.230 nan 0.000 0.437 150 A N -0.976 121.904 122.820 0.100 0.000 1.930 150 A HA -0.199 4.135 4.320 0.022 0.000 0.217 150 A C 2.125 179.721 177.584 0.020 0.000 1.175 150 A CA 1.132 53.198 52.037 0.048 0.000 0.627 150 A CB -0.693 18.338 19.000 0.051 0.000 0.815 150 A HN 0.403 nan 8.150 nan 0.000 0.443 151 H N -1.207 117.907 119.070 0.074 0.000 2.353 151 H HA -0.118 4.451 4.556 0.022 0.000 0.300 151 H C 2.147 177.534 175.328 0.099 0.000 1.090 151 H CA 1.811 57.916 56.048 0.095 0.000 1.327 151 H CB -0.239 29.591 29.762 0.112 0.000 1.383 151 H HN 0.562 nan 8.280 nan 0.000 0.508 152 M N 0.563 120.286 119.600 0.205 0.000 2.080 152 M HA -0.163 4.330 4.480 0.022 0.000 0.260 152 M C 2.091 178.456 176.300 0.108 0.000 1.068 152 M CA 1.656 57.048 55.300 0.153 0.000 1.109 152 M CB 0.073 32.750 32.600 0.127 0.000 1.342 152 M HN 0.028 nan 8.290 nan 0.000 0.405 153 S N 1.173 116.918 115.700 0.075 0.000 2.447 153 S HA -0.055 4.428 4.470 0.022 0.000 0.233 153 S C 1.737 176.355 174.600 0.030 0.000 1.006 153 S CA 0.826 59.051 58.200 0.042 0.000 0.957 153 S CB -0.488 62.725 63.200 0.021 0.000 0.773 153 S HN 0.499 nan 8.310 nan 0.000 0.507 154 L N 1.041 122.282 121.223 0.029 0.000 2.051 154 L HA -0.165 4.189 4.340 0.022 0.000 0.214 154 L C 2.282 179.170 176.870 0.029 0.000 1.076 154 L CA 1.084 55.932 54.840 0.013 0.000 0.758 154 L CB -0.771 41.293 42.059 0.008 0.000 0.890 154 L HN 0.232 nan 8.230 nan 0.000 0.433 155 V N -0.126 119.821 119.914 0.056 0.000 2.490 155 V HA -0.271 3.862 4.120 0.022 0.000 0.250 155 V C 2.371 178.484 176.094 0.032 0.000 1.061 155 V CA 1.430 63.763 62.300 0.055 0.000 1.064 155 V CB -0.369 31.504 31.823 0.084 0.000 0.670 155 V HN 0.361 nan 8.190 nan 0.000 0.461 156 L N -0.572 120.668 121.223 0.028 0.000 2.042 156 L HA -0.190 4.163 4.340 0.022 0.000 0.210 156 L C 2.114 178.988 176.870 0.007 0.000 1.076 156 L CA 1.579 56.428 54.840 0.015 0.000 0.749 156 L CB -0.481 41.586 42.059 0.014 0.000 0.893 156 L HN 0.312 nan 8.230 nan 0.000 0.432 157 L N -0.359 120.868 121.223 0.005 0.000 2.599 157 L HA 0.141 4.494 4.340 0.022 0.000 0.230 157 L C 1.329 178.199 176.870 0.001 0.000 1.141 157 L CA 0.432 55.272 54.840 -0.000 0.000 0.877 157 L CB -0.503 41.552 42.059 -0.006 0.000 1.009 157 L HN 0.487 nan 8.230 nan 0.000 0.447 158 G N -0.132 108.671 108.800 0.006 0.000 2.147 158 G HA2 -0.197 3.776 3.960 0.022 0.000 0.244 158 G HA3 -0.197 3.776 3.960 0.022 0.000 0.244 158 G C 0.078 174.982 174.900 0.006 0.000 1.005 158 G CA -0.029 45.075 45.100 0.006 0.000 0.713 158 G HN 0.342 nan 8.290 nan 0.000 0.515 159 E N -0.684 119.520 120.200 0.008 0.000 2.334 159 E HA 0.720 5.083 4.350 0.022 0.000 0.256 159 E C 1.042 177.650 176.600 0.014 0.000 0.958 159 E CA 0.169 56.570 56.400 0.002 0.000 0.821 159 E CB 0.942 30.635 29.700 -0.011 0.000 1.269 159 E HN 1.454 nan 8.360 nan 0.000 0.413 160 G N 0.959 109.761 108.800 0.002 0.000 2.569 160 G HA2 -0.264 3.710 3.960 0.022 0.000 0.259 160 G HA3 -0.264 3.710 3.960 0.022 0.000 0.259 160 G C -0.500 174.408 174.900 0.014 0.000 1.263 160 G CA 0.656 45.765 45.100 0.015 0.000 0.928 160 G HN 0.696 nan 8.290 nan 0.000 0.572 161 K N -1.382 119.047 120.400 0.047 0.000 2.522 161 K HA 0.870 5.203 4.320 0.022 0.000 0.275 161 K C -0.584 176.182 176.600 0.277 0.000 1.006 161 K CA -0.488 55.860 56.287 0.102 0.000 0.890 161 K CB 1.771 34.261 32.500 -0.018 0.000 1.475 161 K HN 2.196 nan 8.250 nan 0.000 0.441 162 A N 0.831 123.891 122.820 0.400 0.000 2.556 162 A HA 0.663 4.996 4.320 0.022 0.000 0.294 162 A C -1.506 176.391 177.584 0.521 0.000 1.091 162 A CA -0.893 51.434 52.037 0.482 0.000 0.704 162 A CB 1.908 21.063 19.000 0.258 0.000 1.300 162 A HN 0.730 nan 8.150 nan 0.000 0.406 163 R N 0.096 120.797 120.500 0.336 0.000 2.428 163 R HA 0.604 4.957 4.340 0.022 0.000 0.294 163 R C -1.829 174.556 176.300 0.143 0.000 1.000 163 R CA -0.237 55.855 56.100 -0.014 0.000 0.960 163 R CB 0.912 30.946 30.300 -0.444 0.000 1.076 163 R HN 0.768 nan 8.270 nan 0.000 0.475 164 Y N 3.629 123.893 120.300 -0.060 0.000 2.362 164 Y HA 0.212 4.775 4.550 0.022 0.000 0.326 164 Y C -0.947 174.923 175.900 -0.051 0.000 1.083 164 Y CA -1.037 57.033 58.100 -0.050 0.000 1.073 164 Y CB 1.272 39.707 38.460 -0.042 0.000 1.211 164 Y HN 0.676 nan 8.280 nan 0.000 0.433 165 K N 4.174 124.213 120.400 -0.602 0.000 3.035 165 K HA -0.187 4.147 4.320 0.022 0.000 0.262 165 K C 0.822 177.276 176.600 -0.243 0.000 1.024 165 K CA 1.204 57.209 56.287 -0.470 0.000 0.748 165 K CB -1.827 30.332 32.500 -0.567 0.000 1.247 165 K HN 1.656 nan 8.250 nan 0.000 0.482 166 G N -0.117 108.559 108.800 -0.205 0.000 2.153 166 G HA2 -0.359 3.614 3.960 0.022 0.000 0.252 166 G HA3 -0.359 3.614 3.960 0.022 0.000 0.252 166 G C -0.111 174.639 174.900 -0.251 0.000 0.994 166 G CA 0.888 45.859 45.100 -0.216 0.000 0.698 166 G HN 0.663 nan 8.290 nan 0.000 0.521 167 Q N -0.579 119.100 119.800 -0.202 0.000 2.365 167 Q HA 0.504 4.857 4.340 0.022 0.000 0.269 167 Q C -0.613 175.321 176.000 -0.110 0.000 1.061 167 Q CA -1.319 54.399 55.803 -0.141 0.000 0.816 167 Q CB 1.366 30.094 28.738 -0.017 0.000 1.325 167 Q HN 0.348 nan 8.270 nan 0.000 0.446 168 W N 2.544 123.891 121.300 0.079 0.000 2.253 168 W HA 0.390 5.062 4.660 0.021 0.000 0.322 168 W C -0.130 176.435 176.519 0.077 0.000 1.342 168 W CA -0.409 56.988 57.345 0.086 0.000 1.218 168 W CB 0.670 30.170 29.460 0.067 0.000 1.205 168 W HN 0.380 nan 8.180 nan 0.000 0.551 169 L N 3.319 124.757 121.223 0.358 0.000 2.333 169 L HA 0.431 4.784 4.340 0.022 0.000 0.269 169 L C 0.662 177.639 176.870 0.179 0.000 1.010 169 L CA -1.180 53.789 54.840 0.215 0.000 0.818 169 L CB 1.718 43.871 42.059 0.156 0.000 1.306 169 L HN 0.484 nan 8.230 nan 0.000 0.430 170 S N 0.715 116.480 115.700 0.107 0.000 2.576 170 S HA 0.175 4.658 4.470 0.022 0.000 0.272 170 S C 1.119 175.758 174.600 0.066 0.000 1.352 170 S CA 0.027 58.269 58.200 0.070 0.000 1.021 170 S CB 1.397 64.621 63.200 0.041 0.000 0.887 170 S HN 0.734 nan 8.310 nan 0.000 0.542 171 A N 2.279 125.130 122.820 0.052 0.000 1.883 171 A HA -0.083 4.250 4.320 0.022 0.000 0.217 171 A C 2.427 180.025 177.584 0.022 0.000 1.186 171 A CA 2.247 54.312 52.037 0.046 0.000 0.624 171 A CB -2.114 16.908 19.000 0.036 0.000 0.822 171 A HN 1.122 nan 8.150 nan 0.000 0.444 172 T N -1.637 112.926 114.554 0.014 0.000 2.746 172 T HA -0.172 4.192 4.350 0.022 0.000 0.267 172 T C 1.748 176.443 174.700 -0.008 0.000 1.039 172 T CA 1.457 63.558 62.100 0.001 0.000 1.142 172 T CB -0.372 68.497 68.868 0.002 0.000 0.866 172 T HN 0.612 nan 8.240 nan 0.000 0.444 173 E N 1.330 121.530 120.200 -0.001 0.000 2.077 173 E HA -0.090 4.273 4.350 0.022 0.000 0.193 173 E C 2.516 179.088 176.600 -0.048 0.000 0.989 173 E CA 0.995 57.387 56.400 -0.013 0.000 0.800 173 E CB -0.339 29.369 29.700 0.014 0.000 0.746 173 E HN 0.606 nan 8.360 nan 0.000 0.452 174 A N 0.918 123.722 122.820 -0.027 0.000 1.858 174 A HA -0.187 4.146 4.320 0.022 0.000 0.216 174 A C 2.183 179.713 177.584 -0.090 0.000 1.190 174 A CA 1.179 53.182 52.037 -0.057 0.000 0.617 174 A CB -0.800 18.212 19.000 0.020 0.000 0.827 174 A HN 0.256 nan 8.150 nan 0.000 0.443 175 L N -0.786 120.408 121.223 -0.048 0.000 2.043 175 L HA -0.263 4.090 4.340 0.022 0.000 0.212 175 L C 3.097 179.925 176.870 -0.069 0.000 1.075 175 L CA 1.228 56.039 54.840 -0.049 0.000 0.752 175 L CB -0.529 41.515 42.059 -0.025 0.000 0.891 175 L HN 0.480 nan 8.230 nan 0.000 0.432 176 A N -0.592 122.186 122.820 -0.070 0.000 1.930 176 A HA -0.132 4.201 4.320 0.022 0.000 0.217 176 A C 2.306 179.823 177.584 -0.111 0.000 1.175 176 A CA 1.477 53.470 52.037 -0.073 0.000 0.627 176 A CB -0.749 18.217 19.000 -0.058 0.000 0.815 176 A HN 0.199 nan 8.150 nan 0.000 0.443 177 V N -0.284 119.524 119.914 -0.176 0.000 2.380 177 V HA -0.277 3.856 4.120 0.022 0.000 0.251 177 V C 2.753 178.715 176.094 -0.221 0.000 1.063 177 V CA 2.016 64.146 62.300 -0.284 0.000 1.055 177 V CB -0.934 30.545 31.823 -0.574 0.000 0.657 177 V HN 0.609 nan 8.190 nan 0.000 0.455 178 A N -1.013 121.706 122.820 -0.169 0.000 2.251 178 A HA 0.441 4.774 4.320 0.022 0.000 0.209 178 A C 1.831 179.370 177.584 -0.075 0.000 1.187 178 A CA 0.865 52.832 52.037 -0.115 0.000 0.823 178 A CB -0.318 18.623 19.000 -0.099 0.000 0.846 178 A HN 1.258 nan 8.150 nan 0.000 0.486 179 G N -0.966 107.790 108.800 -0.072 0.000 2.160 179 G HA2 -0.203 3.770 3.960 0.022 0.000 0.244 179 G HA3 -0.203 3.770 3.960 0.022 0.000 0.244 179 G C -0.068 174.810 174.900 -0.038 0.000 1.022 179 G CA 0.497 45.568 45.100 -0.049 0.000 0.741 179 G HN 0.465 nan 8.290 nan 0.000 0.508 180 L N -1.035 120.164 121.223 -0.041 0.000 2.322 180 L HA 0.874 5.227 4.340 0.022 0.000 0.269 180 L C 0.271 177.126 176.870 -0.026 0.000 1.012 180 L CA -1.138 53.684 54.840 -0.029 0.000 0.815 180 L CB 1.805 43.847 42.059 -0.028 0.000 1.295 180 L HN 0.115 nan 8.230 nan 0.000 0.438 181 E N 0.800 120.989 120.200 -0.018 0.000 2.244 181 E HA 0.438 4.802 4.350 0.022 0.000 0.266 181 E C -2.481 174.112 176.600 -0.010 0.000 0.914 181 E CA -1.790 54.601 56.400 -0.014 0.000 0.794 181 E CB 1.678 31.371 29.700 -0.012 0.000 1.210 181 E HN 0.223 nan 8.360 nan 0.000 0.414 182 P HA -0.001 nan 4.420 nan 0.000 0.264 182 P C -0.971 176.326 177.300 -0.005 0.000 1.183 182 P CA 0.508 63.605 63.100 -0.005 0.000 0.763 182 P CB 0.257 31.954 31.700 -0.004 0.000 0.807 183 L N 1.131 122.352 121.223 -0.004 0.000 2.358 183 L HA 0.625 4.978 4.340 0.022 0.000 0.268 183 L C 0.308 177.174 176.870 -0.005 0.000 1.032 183 L CA -0.762 54.075 54.840 -0.005 0.000 0.805 183 L CB 1.023 43.078 42.059 -0.005 0.000 1.253 183 L HN 0.161 nan 8.230 nan 0.000 0.452 184 T N 2.084 116.635 114.554 -0.006 0.000 2.771 184 T HA 0.557 4.920 4.350 0.022 0.000 0.281 184 T C -0.033 174.661 174.700 -0.009 0.000 0.982 184 T CA -0.486 61.610 62.100 -0.006 0.000 0.978 184 T CB 1.272 70.138 68.868 -0.003 0.000 0.930 184 T HN 0.293 nan 8.240 nan 0.000 0.447 185 L N 2.321 123.537 121.223 -0.012 0.000 2.399 185 L HA 0.732 5.086 4.340 0.022 0.000 0.266 185 L C 0.679 177.537 176.870 -0.019 0.000 1.114 185 L CA -0.785 54.046 54.840 -0.016 0.000 0.804 185 L CB 0.901 42.948 42.059 -0.020 0.000 1.146 185 L HN 0.713 nan 8.230 nan 0.000 0.451 186 A N 1.638 124.444 122.820 -0.024 0.000 2.312 186 A HA 0.815 5.148 4.320 0.022 0.000 0.310 186 A C -0.145 177.415 177.584 -0.039 0.000 1.139 186 A CA -0.434 51.585 52.037 -0.030 0.000 0.886 186 A CB 0.840 19.823 19.000 -0.028 0.000 1.350 186 A HN 0.762 nan 8.150 nan 0.000 0.479 187 A N -0.361 122.429 122.820 -0.050 0.000 2.598 187 A HA 0.357 4.690 4.320 0.022 0.000 0.239 187 A C 1.104 178.651 177.584 -0.061 0.000 1.032 187 A CA 1.496 53.494 52.037 -0.064 0.000 0.760 187 A CB -0.533 18.424 19.000 -0.072 0.000 0.946 187 A HN 2.047 nan 8.150 nan 0.000 0.512 188 K N 0.703 121.061 120.400 -0.071 0.000 3.606 188 K HA -0.241 4.092 4.320 0.022 0.000 0.289 188 K C 0.846 177.419 176.600 -0.044 0.000 1.221 188 K CA 2.520 58.768 56.287 -0.066 0.000 1.028 188 K CB -1.918 30.542 32.500 -0.067 0.000 1.299 188 K HN 0.823 nan 8.250 nan 0.000 0.454 189 E N -0.613 119.564 120.200 -0.038 0.000 2.110 189 E HA -0.081 4.282 4.350 0.022 0.000 0.193 189 E C 1.974 178.557 176.600 -0.028 0.000 0.988 189 E CA 1.088 57.471 56.400 -0.029 0.000 0.804 189 E CB -0.294 29.391 29.700 -0.025 0.000 0.745 189 E HN 0.588 nan 8.360 nan 0.000 0.458 190 G N 1.693 110.473 108.800 -0.034 0.000 2.446 190 G HA2 -0.254 3.719 3.960 0.022 0.000 0.217 190 G HA3 -0.254 3.719 3.960 0.022 0.000 0.217 190 G C 1.609 176.480 174.900 -0.048 0.000 1.168 190 G CA 0.534 45.605 45.100 -0.048 0.000 0.771 190 G HN 0.093 nan 8.290 nan 0.000 0.551 191 L N 0.597 121.803 121.223 -0.029 0.000 2.093 191 L HA -0.032 4.321 4.340 0.022 0.000 0.208 191 L C 3.419 180.285 176.870 -0.006 0.000 1.085 191 L CA 0.863 55.697 54.840 -0.012 0.000 0.755 191 L CB -0.380 41.683 42.059 0.006 0.000 0.904 191 L HN 0.327 nan 8.230 nan 0.000 0.435 192 A N 0.097 122.910 122.820 -0.012 0.000 1.902 192 A HA -0.173 4.160 4.320 0.022 0.000 0.217 192 A C 2.231 179.817 177.584 0.003 0.000 1.181 192 A CA 1.473 53.508 52.037 -0.005 0.000 0.623 192 A CB -0.578 18.416 19.000 -0.010 0.000 0.818 192 A HN 0.362 nan 8.150 nan 0.000 0.443 193 L N -1.404 119.818 121.223 -0.002 0.000 2.095 193 L HA -0.090 4.263 4.340 0.022 0.000 0.204 193 L C 2.260 179.137 176.870 0.012 0.000 1.080 193 L CA 0.535 55.379 54.840 0.006 0.000 0.759 193 L CB -0.271 41.788 42.059 0.001 0.000 0.914 193 L HN 0.278 nan 8.230 nan 0.000 0.439 194 L N -1.139 120.087 121.223 0.004 0.000 2.202 194 L HA 0.046 4.399 4.340 0.022 0.000 0.205 194 L C 1.047 177.939 176.870 0.035 0.000 1.083 194 L CA 0.877 55.731 54.840 0.023 0.000 0.790 194 L CB -0.717 41.347 42.059 0.007 0.000 0.942 194 L HN 0.184 nan 8.230 nan 0.000 0.452 195 N N 0.139 118.857 118.700 0.029 0.000 2.508 195 N HA 0.418 5.171 4.740 0.022 0.000 0.264 195 N C 0.179 175.702 175.510 0.021 0.000 1.216 195 N CA 0.850 53.920 53.050 0.032 0.000 0.943 195 N CB 0.900 39.410 38.487 0.038 0.000 1.113 195 N HN 0.244 nan 8.380 nan 0.000 0.447 196 G N -0.585 108.224 108.800 0.015 0.000 2.361 196 G HA2 -0.054 3.919 3.960 0.022 0.000 0.305 196 G HA3 -0.054 3.919 3.960 0.022 0.000 0.305 196 G C -0.199 174.695 174.900 -0.009 0.000 1.367 196 G CA -0.366 44.738 45.100 0.007 0.000 0.951 196 G HN 0.461 nan 8.290 nan 0.000 0.615 197 T N -2.510 112.035 114.554 -0.014 0.000 3.215 197 T HA 0.306 4.670 4.350 0.022 0.000 0.271 197 T C 1.483 176.152 174.700 -0.051 0.000 1.012 197 T CA 0.481 62.560 62.100 -0.036 0.000 0.899 197 T CB 0.749 69.604 68.868 -0.021 0.000 1.089 197 T HN 0.388 nan 8.240 nan 0.000 0.552 198 Q N 1.585 121.363 119.800 -0.037 0.000 2.124 198 Q HA 0.179 4.532 4.340 0.022 0.000 0.202 198 Q C 2.540 178.501 176.000 -0.066 0.000 0.977 198 Q CA 1.880 57.666 55.803 -0.028 0.000 0.850 198 Q CB -0.550 28.189 28.738 0.002 0.000 0.901 198 Q HN 0.742 nan 8.270 nan 0.000 0.429 199 A N -0.374 122.366 122.820 -0.134 0.000 1.897 199 A HA -0.131 4.202 4.320 0.022 0.000 0.215 199 A C 2.250 179.532 177.584 -0.505 0.000 1.181 199 A CA 1.482 53.344 52.037 -0.292 0.000 0.620 199 A CB -0.612 18.180 19.000 -0.345 0.000 0.821 199 A HN 0.285 nan 8.150 nan 0.000 0.443 200 S N -0.215 115.262 115.700 -0.372 0.000 2.359 200 S HA -0.154 4.329 4.470 0.022 0.000 0.224 200 S C 2.088 176.613 174.600 -0.124 0.000 1.035 200 S CA 1.989 60.023 58.200 -0.278 0.000 1.018 200 S CB -0.589 62.515 63.200 -0.159 0.000 0.876 200 S HN 0.700 nan 8.310 nan 0.000 0.448 201 T N 2.284 116.786 114.554 -0.088 0.000 2.708 201 T HA -0.042 4.321 4.350 0.022 0.000 0.266 201 T C 2.137 176.828 174.700 -0.014 0.000 1.037 201 T CA 1.235 63.310 62.100 -0.041 0.000 1.146 201 T CB -0.548 68.303 68.868 -0.029 0.000 0.865 201 T HN 0.458 nan 8.240 nan 0.000 0.435 202 A N 0.779 123.608 122.820 0.015 0.000 1.908 202 A HA -0.119 4.214 4.320 0.022 0.000 0.218 202 A C 2.087 179.810 177.584 0.233 0.000 1.181 202 A CA 1.416 53.512 52.037 0.099 0.000 0.627 202 A CB -0.951 18.136 19.000 0.146 0.000 0.818 202 A HN 0.495 nan 8.150 nan 0.000 0.445 203 Y N -0.333 120.038 120.300 0.118 0.000 2.200 203 Y HA -0.055 4.507 4.550 0.019 0.000 0.290 203 Y C 2.971 178.998 175.900 0.212 0.000 1.137 203 Y CA 0.287 58.580 58.100 0.320 0.000 1.163 203 Y CB -1.285 37.319 38.460 0.240 0.000 0.988 203 Y HN 0.348 nan 8.280 nan 0.000 0.518 204 A N -0.053 122.875 122.820 0.180 0.000 1.898 204 A HA -0.095 4.238 4.320 0.022 0.000 0.216 204 A C 2.409 179.900 177.584 -0.156 0.000 1.181 204 A CA 1.096 53.144 52.037 0.018 0.000 0.620 204 A CB -1.067 17.918 19.000 -0.025 0.000 0.819 204 A HN 0.413 nan 8.150 nan 0.000 0.442 205 L N -0.767 120.299 121.223 -0.262 0.000 2.012 205 L HA -0.241 4.113 4.340 0.022 0.000 0.210 205 L C 2.808 179.001 176.870 -1.129 0.000 1.073 205 L CA 2.003 56.427 54.840 -0.694 0.000 0.748 205 L CB -0.475 41.247 42.059 -0.562 0.000 0.891 205 L HN 0.526 nan 8.230 nan 0.000 0.431 206 R N 0.277 120.347 120.500 -0.717 0.000 2.091 206 R HA -0.161 4.192 4.340 0.022 0.000 0.238 206 R C 2.216 178.073 176.300 -0.738 0.000 1.136 206 R CA 1.637 57.221 56.100 -0.861 0.000 0.959 206 R CB -0.584 29.316 30.300 -0.667 0.000 0.856 206 R HN 0.372 nan 8.270 nan 0.000 0.437 207 G N 1.419 110.085 108.800 -0.223 0.000 2.418 207 G HA2 -0.282 3.691 3.960 0.022 0.000 0.217 207 G HA3 -0.282 3.691 3.960 0.022 0.000 0.217 207 G C 1.312 176.161 174.900 -0.085 0.000 1.158 207 G CA 0.806 45.913 45.100 0.012 0.000 0.771 207 G HN 0.347 nan 8.290 nan 0.000 0.545 208 L N -0.090 120.968 121.223 -0.274 0.000 1.989 208 L HA 0.047 4.400 4.340 0.022 0.000 0.211 208 L C 2.514 179.320 176.870 -0.106 0.000 1.071 208 L CA 1.723 56.420 54.840 -0.238 0.000 0.749 208 L CB -0.797 41.029 42.059 -0.389 0.000 0.890 208 L HN 0.168 nan 8.230 nan 0.000 0.431 209 F N -1.117 118.747 119.950 -0.144 0.000 2.171 209 F HA -0.181 4.361 4.527 0.025 0.000 0.300 209 F C 2.391 178.236 175.800 0.074 0.000 1.090 209 F CA 0.829 58.769 58.000 -0.100 0.000 1.293 209 F CB -1.583 37.275 39.000 -0.237 0.000 1.013 209 F HN 0.102 nan 8.300 nan 0.000 0.486 210 Y N 0.352 120.741 120.300 0.148 0.000 2.145 210 Y HA -0.126 4.435 4.550 0.019 0.000 0.286 210 Y C 2.608 178.568 175.900 0.099 0.000 1.145 210 Y CA 0.445 58.614 58.100 0.116 0.000 1.148 210 Y CB -1.554 36.972 38.460 0.112 0.000 0.981 210 Y HN 0.039 nan 8.280 nan 0.000 0.507 211 A N 0.094 123.066 122.820 0.254 0.000 1.940 211 A HA -0.218 4.116 4.320 0.022 0.000 0.219 211 A C 2.172 179.854 177.584 0.164 0.000 1.176 211 A CA 1.866 54.006 52.037 0.171 0.000 0.631 211 A CB -0.655 18.410 19.000 0.108 0.000 0.814 211 A HN 0.536 nan 8.150 nan 0.000 0.446 212 E N -0.184 120.110 120.200 0.157 0.000 2.047 212 E HA -0.175 4.189 4.350 0.022 0.000 0.191 212 E C 1.485 178.182 176.600 0.163 0.000 0.987 212 E CA 1.117 57.603 56.400 0.143 0.000 0.799 212 E CB -0.224 29.556 29.700 0.134 0.000 0.752 212 E HN 0.543 nan 8.360 nan 0.000 0.449 213 D N 0.853 121.351 120.400 0.163 0.000 2.123 213 D HA -0.150 4.503 4.640 0.022 0.000 0.196 213 D C 2.101 178.444 176.300 0.072 0.000 0.992 213 D CA 0.895 54.962 54.000 0.111 0.000 0.833 213 D CB -0.188 40.688 40.800 0.127 0.000 0.954 213 D HN 0.174 nan 8.370 nan 0.000 0.455 214 L N -0.397 120.885 121.223 0.098 0.000 2.056 214 L HA -0.161 4.192 4.340 0.022 0.000 0.207 214 L C 2.486 179.391 176.870 0.059 0.000 1.078 214 L CA 0.817 55.693 54.840 0.060 0.000 0.749 214 L CB -0.588 41.520 42.059 0.082 0.000 0.901 214 L HN 0.026 nan 8.230 nan 0.000 0.433 215 Y N 1.140 121.440 120.300 0.000 0.000 2.081 215 Y HA -0.391 4.171 4.550 0.020 0.000 0.280 215 Y C 2.550 178.408 175.900 -0.069 0.000 1.163 215 Y CA 1.807 59.895 58.100 -0.020 0.000 1.135 215 Y CB -0.328 38.127 38.460 -0.009 0.000 0.970 215 Y HN 0.113 nan 8.280 nan 0.000 0.498 216 A N 0.580 123.445 122.820 0.075 0.000 1.883 216 A HA -0.182 4.151 4.320 0.022 0.000 0.217 216 A C 2.436 179.898 177.584 -0.203 0.000 1.186 216 A CA 2.257 54.257 52.037 -0.062 0.000 0.624 216 A CB -1.661 17.342 19.000 0.006 0.000 0.822 216 A HN 0.691 nan 8.150 nan 0.000 0.444 217 A N -0.218 122.500 122.820 -0.170 0.000 1.908 217 A HA 0.117 4.450 4.320 0.022 0.000 0.218 217 A C 2.510 179.940 177.584 -0.257 0.000 1.181 217 A CA 2.273 54.163 52.037 -0.245 0.000 0.627 217 A CB -1.044 17.827 19.000 -0.214 0.000 0.818 217 A HN 1.136 nan 8.150 nan 0.000 0.445 218 A N 0.000 122.690 122.820 -0.217 0.000 1.933 218 A HA -0.046 4.287 4.320 0.022 0.000 0.218 218 A C 1.983 179.424 177.584 -0.238 0.000 1.175 218 A CA 1.528 53.457 52.037 -0.179 0.000 0.628 218 A CB -0.495 18.427 19.000 -0.131 0.000 0.814 218 A HN 0.445 nan 8.150 nan 0.000 0.444 219 I N 0.105 120.399 120.570 -0.460 0.000 2.179 219 I HA -0.257 3.927 4.170 0.022 0.000 0.242 219 I C 2.909 178.772 176.117 -0.423 0.000 1.088 219 I CA 1.560 62.446 61.300 -0.691 0.000 1.357 219 I CB -1.784 35.661 38.000 -0.925 0.000 1.051 219 I HN 0.356 nan 8.210 nan 0.000 0.409 220 A N 0.519 123.142 122.820 -0.328 0.000 1.858 220 A HA -0.207 4.126 4.320 0.022 0.000 0.216 220 A C 2.612 180.107 177.584 -0.148 0.000 1.190 220 A CA 1.951 53.847 52.037 -0.234 0.000 0.617 220 A CB -1.203 17.634 19.000 -0.272 0.000 0.827 220 A HN 0.520 nan 8.150 nan 0.000 0.443 221 C N -0.939 118.262 119.300 -0.165 0.000 2.429 221 C HA 0.029 4.502 4.460 0.022 0.000 0.277 221 C C 2.982 177.999 174.990 0.046 0.000 1.262 221 C CA 0.514 59.500 59.018 -0.054 0.000 1.733 221 C CB -1.672 26.038 27.740 -0.050 0.000 2.010 221 C HN 0.709 nan 8.230 nan 0.000 0.483 222 G N 0.439 109.287 108.800 0.080 0.000 2.422 222 G HA2 0.026 3.999 3.960 0.022 0.000 0.218 222 G HA3 0.026 3.999 3.960 0.022 0.000 0.218 222 G C 1.767 176.797 174.900 0.216 0.000 1.146 222 G CA 1.153 46.363 45.100 0.184 0.000 0.769 222 G HN 0.577 nan 8.290 nan 0.000 0.547 223 G N 1.008 109.942 108.800 0.224 0.000 2.421 223 G HA2 -0.160 3.813 3.960 0.022 0.000 0.216 223 G HA3 -0.160 3.813 3.960 0.022 0.000 0.216 223 G C 1.801 176.754 174.900 0.089 0.000 1.171 223 G CA 0.743 45.930 45.100 0.145 0.000 0.775 223 G HN 0.416 nan 8.290 nan 0.000 0.543 224 L N 0.737 122.007 121.223 0.078 0.000 2.042 224 L HA -0.120 4.233 4.340 0.022 0.000 0.210 224 L C 3.226 180.147 176.870 0.086 0.000 1.076 224 L CA 1.336 56.230 54.840 0.089 0.000 0.749 224 L CB -0.379 41.754 42.059 0.124 0.000 0.893 224 L HN 0.188 nan 8.230 nan 0.000 0.432 225 S N -0.650 115.103 115.700 0.088 0.000 2.368 225 S HA -0.151 4.332 4.470 0.022 0.000 0.225 225 S C 2.053 176.692 174.600 0.066 0.000 1.030 225 S CA 1.152 59.394 58.200 0.070 0.000 0.999 225 S CB -0.240 63.002 63.200 0.071 0.000 0.844 225 S HN 0.157 nan 8.310 nan 0.000 0.459 226 V N 2.252 122.218 119.914 0.087 0.000 2.324 226 V HA -0.205 3.928 4.120 0.022 0.000 0.250 226 V C 2.565 178.712 176.094 0.089 0.000 1.060 226 V CA 1.733 64.091 62.300 0.095 0.000 1.042 226 V CB -0.543 31.361 31.823 0.135 0.000 0.650 226 V HN 0.451 nan 8.190 nan 0.000 0.450 227 E N -0.063 120.190 120.200 0.089 0.000 2.072 227 E HA -0.139 4.225 4.350 0.022 0.000 0.190 227 E C 2.397 179.044 176.600 0.077 0.000 0.982 227 E CA 1.355 57.812 56.400 0.095 0.000 0.803 227 E CB -0.447 29.302 29.700 0.081 0.000 0.755 227 E HN 0.575 nan 8.360 nan 0.000 0.453 228 A N 1.408 124.262 122.820 0.056 0.000 1.908 228 A HA -0.155 4.178 4.320 0.022 0.000 0.218 228 A C 2.264 179.857 177.584 0.015 0.000 1.181 228 A CA 1.901 53.958 52.037 0.034 0.000 0.627 228 A CB -0.520 18.491 19.000 0.019 0.000 0.818 228 A HN 0.199 nan 8.150 nan 0.000 0.445 229 V N -3.286 116.633 119.914 0.008 0.000 3.249 229 V HA 0.452 4.585 4.120 0.022 0.000 0.338 229 V C 0.447 176.514 176.094 -0.046 0.000 1.363 229 V CA 0.040 62.328 62.300 -0.021 0.000 1.205 229 V CB -1.049 30.759 31.823 -0.026 0.000 1.164 229 V HN 0.462 nan 8.190 nan 0.000 0.458 230 L N 0.319 121.529 121.223 -0.022 0.000 3.634 230 L HA -0.165 4.188 4.340 0.022 0.000 0.423 230 L C 1.081 177.849 176.870 -0.170 0.000 1.253 230 L CA 0.355 55.125 54.840 -0.117 0.000 0.885 230 L CB -2.006 39.856 42.059 -0.327 0.000 1.789 230 L HN 0.646 nan 8.230 nan 0.000 0.904 231 G N -0.240 108.561 108.800 0.002 0.000 2.616 231 G HA2 0.403 4.376 3.960 0.022 0.000 0.268 231 G HA3 0.403 4.376 3.960 0.022 0.000 0.268 231 G C 0.197 175.162 174.900 0.108 0.000 1.213 231 G CA 0.498 45.613 45.100 0.025 0.000 0.926 231 G HN 0.235 nan 8.290 nan 0.000 0.523 232 S N -1.630 114.128 115.700 0.097 0.000 2.646 232 S HA 0.332 4.815 4.470 0.022 0.000 0.276 232 S C 1.231 175.952 174.600 0.201 0.000 1.222 232 S CA -0.650 57.633 58.200 0.137 0.000 1.014 232 S CB 1.332 64.572 63.200 0.067 0.000 0.991 232 S HN 0.504 nan 8.310 nan 0.000 0.533 233 R N 1.455 122.087 120.500 0.220 0.000 2.280 233 R HA 0.172 4.525 4.340 0.022 0.000 0.195 233 R C 2.191 178.653 176.300 0.270 0.000 0.935 233 R CA 0.409 56.718 56.100 0.348 0.000 1.033 233 R CB -0.163 30.280 30.300 0.238 0.000 0.964 233 R HN 0.557 nan 8.270 nan 0.000 0.489 234 S N 1.443 117.208 115.700 0.108 0.000 2.374 234 S HA -0.089 4.394 4.470 0.022 0.000 0.227 234 S C -0.970 173.593 174.600 -0.063 0.000 1.037 234 S CA 1.335 59.555 58.200 0.033 0.000 1.024 234 S CB -0.690 62.512 63.200 0.004 0.000 0.861 234 S HN 0.209 nan 8.310 nan 0.000 0.456 235 P HA -0.053 nan 4.420 nan 0.000 0.223 235 P C 0.457 177.544 177.300 -0.354 0.000 1.144 235 P CA 0.937 63.781 63.100 -0.427 0.000 0.783 235 P CB -0.117 31.123 31.700 -0.766 0.000 0.771 236 F N -1.891 118.146 119.950 0.144 0.000 2.693 236 F HA 0.130 4.669 4.527 0.021 0.000 0.303 236 F C 1.052 177.023 175.800 0.285 0.000 1.097 236 F CA -0.756 57.388 58.000 0.240 0.000 1.330 236 F CB -0.628 38.425 39.000 0.089 0.000 1.067 236 F HN -0.138 nan 8.300 nan 0.000 0.565 237 D N 1.417 121.976 120.400 0.266 0.000 2.531 237 D HA -0.014 4.639 4.640 0.022 0.000 0.239 237 D C 1.432 177.831 176.300 0.166 0.000 1.144 237 D CA 0.479 54.570 54.000 0.152 0.000 0.869 237 D CB 1.431 42.252 40.800 0.034 0.000 1.160 237 D HN 0.275 nan 8.370 nan 0.000 0.484 238 A N 5.561 128.488 122.820 0.179 0.000 2.024 238 A HA -0.206 4.127 4.320 0.022 0.000 0.220 238 A C 2.157 179.784 177.584 0.072 0.000 1.164 238 A CA 1.138 53.291 52.037 0.192 0.000 0.643 238 A CB -0.127 18.953 19.000 0.133 0.000 0.806 238 A HN 0.718 nan 8.150 nan 0.000 0.451 239 R N -0.609 119.892 120.500 0.002 0.000 2.115 239 R HA -0.012 4.341 4.340 0.022 0.000 0.230 239 R C 1.841 178.071 176.300 -0.117 0.000 1.111 239 R CA 1.417 57.495 56.100 -0.037 0.000 0.976 239 R CB -0.443 29.840 30.300 -0.030 0.000 0.870 239 R HN 0.588 nan 8.270 nan 0.000 0.445 240 I N 0.044 120.452 120.570 -0.269 0.000 2.179 240 I HA -0.281 3.902 4.170 0.022 0.000 0.242 240 I C 2.124 177.985 176.117 -0.427 0.000 1.088 240 I CA 1.262 62.306 61.300 -0.427 0.000 1.357 240 I CB -0.365 37.243 38.000 -0.654 0.000 1.051 240 I HN 0.241 nan 8.210 nan 0.000 0.409 241 H N 0.598 119.679 119.070 0.018 0.000 2.395 241 H HA -0.032 4.537 4.556 0.022 0.000 0.299 241 H C 2.045 177.388 175.328 0.025 0.000 1.070 241 H CA 0.896 56.960 56.048 0.028 0.000 1.356 241 H CB -0.284 29.512 29.762 0.056 0.000 1.401 241 H HN 0.355 nan 8.280 nan 0.000 0.524 242 E N 1.074 121.328 120.200 0.090 0.000 2.110 242 E HA -0.068 4.295 4.350 0.022 0.000 0.193 242 E C 2.366 178.980 176.600 0.023 0.000 0.988 242 E CA 0.832 57.265 56.400 0.056 0.000 0.804 242 E CB -0.199 29.527 29.700 0.042 0.000 0.745 242 E HN 0.410 nan 8.360 nan 0.000 0.458 243 A N 1.317 124.132 122.820 -0.008 0.000 2.015 243 A HA -0.156 4.177 4.320 0.022 0.000 0.219 243 A C 2.169 179.749 177.584 -0.007 0.000 1.163 243 A CA 1.281 53.309 52.037 -0.016 0.000 0.646 243 A CB -0.351 18.625 19.000 -0.040 0.000 0.806 243 A HN 0.064 nan 8.150 nan 0.000 0.448 244 R N -1.536 118.966 120.500 0.005 0.000 2.080 244 R HA 0.126 4.480 4.340 0.022 0.000 0.222 244 R C 1.531 177.846 176.300 0.026 0.000 1.107 244 R CA 1.219 57.328 56.100 0.016 0.000 0.980 244 R CB -0.113 30.206 30.300 0.032 0.000 0.879 244 R HN 0.697 nan 8.270 nan 0.000 0.439 245 G N 0.112 108.936 108.800 0.040 0.000 2.194 245 G HA2 -0.203 3.770 3.960 0.022 0.000 0.236 245 G HA3 -0.203 3.770 3.960 0.022 0.000 0.236 245 G C -0.310 174.614 174.900 0.039 0.000 0.987 245 G CA -0.110 45.011 45.100 0.035 0.000 0.635 245 G HN 0.317 nan 8.290 nan 0.000 0.520 246 Q N 0.292 120.120 119.800 0.047 0.000 2.286 246 Q HA 0.390 4.743 4.340 0.022 0.000 0.267 246 Q C 1.409 177.438 176.000 0.049 0.000 1.028 246 Q CA 0.021 55.850 55.803 0.043 0.000 0.901 246 Q CB 1.515 30.280 28.738 0.045 0.000 1.183 246 Q HN 0.450 nan 8.270 nan 0.000 0.392 247 R N 3.446 123.967 120.500 0.034 0.000 2.073 247 R HA -0.111 4.242 4.340 0.022 0.000 0.234 247 R C 1.910 178.227 176.300 0.029 0.000 1.134 247 R CA 2.095 58.213 56.100 0.030 0.000 0.952 247 R CB -0.872 29.437 30.300 0.016 0.000 0.850 247 R HN 0.787 nan 8.270 nan 0.000 0.433 248 G N 0.089 108.903 108.800 0.022 0.000 2.446 248 G HA2 -0.371 3.602 3.960 0.022 0.000 0.217 248 G HA3 -0.371 3.602 3.960 0.022 0.000 0.217 248 G C 1.379 176.312 174.900 0.055 0.000 1.168 248 G CA 0.846 45.959 45.100 0.021 0.000 0.771 248 G HN 0.550 nan 8.290 nan 0.000 0.551 249 Q N -0.157 119.678 119.800 0.059 0.000 2.124 249 Q HA -0.023 4.330 4.340 0.022 0.000 0.202 249 Q C 2.530 178.539 176.000 0.015 0.000 0.977 249 Q CA 1.031 56.865 55.803 0.052 0.000 0.850 249 Q CB -0.224 28.556 28.738 0.070 0.000 0.901 249 Q HN 0.555 nan 8.270 nan 0.000 0.429 250 I N 1.197 121.802 120.570 0.059 0.000 2.226 250 I HA -0.270 3.913 4.170 0.022 0.000 0.245 250 I C 1.563 177.712 176.117 0.054 0.000 1.100 250 I CA 1.212 62.557 61.300 0.076 0.000 1.374 250 I CB -0.192 37.863 38.000 0.092 0.000 1.057 250 I HN 0.230 nan 8.210 nan 0.000 0.413 251 D N 0.092 120.523 120.400 0.053 0.000 2.149 251 D HA -0.119 4.534 4.640 0.022 0.000 0.201 251 D C 2.217 178.569 176.300 0.087 0.000 0.972 251 D CA 1.304 55.337 54.000 0.055 0.000 0.835 251 D CB -0.314 40.505 40.800 0.031 0.000 0.966 251 D HN 0.240 nan 8.370 nan 0.000 0.476 252 T N 0.632 115.262 114.554 0.126 0.000 2.708 252 T HA -0.101 4.263 4.350 0.022 0.000 0.266 252 T C 2.018 176.851 174.700 0.220 0.000 1.037 252 T CA 1.495 63.723 62.100 0.213 0.000 1.146 252 T CB -0.247 68.790 68.868 0.282 0.000 0.865 252 T HN 0.182 nan 8.240 nan 0.000 0.435 253 A N 1.376 124.274 122.820 0.130 0.000 1.933 253 A HA 0.163 4.496 4.320 0.022 0.000 0.218 253 A C 2.623 180.308 177.584 0.168 0.000 1.175 253 A CA 1.795 53.922 52.037 0.150 0.000 0.628 253 A CB -1.041 17.750 19.000 -0.349 0.000 0.814 253 A HN 0.502 nan 8.150 nan 0.000 0.444 254 A N -0.944 121.934 122.820 0.098 0.000 1.933 254 A HA -0.181 4.152 4.320 0.022 0.000 0.218 254 A C 2.298 179.901 177.584 0.032 0.000 1.175 254 A CA 1.694 53.776 52.037 0.075 0.000 0.628 254 A CB -1.273 17.762 19.000 0.058 0.000 0.814 254 A HN 0.599 nan 8.150 nan 0.000 0.444 255 C N -1.892 117.408 119.300 0.000 0.000 2.432 255 C HA -0.077 4.396 4.460 0.022 0.000 0.277 255 C C 2.399 177.264 174.990 -0.208 0.000 1.249 255 C CA 0.877 59.827 59.018 -0.115 0.000 1.725 255 C CB -1.712 25.922 27.740 -0.178 0.000 2.028 255 C HN 0.627 nan 8.230 nan 0.000 0.477 256 F N 1.253 121.100 119.950 -0.172 0.000 2.095 256 F HA -0.143 4.396 4.527 0.020 0.000 0.298 256 F C 2.649 178.251 175.800 -0.331 0.000 1.104 256 F CA 1.625 59.401 58.000 -0.374 0.000 1.232 256 F CB -0.613 37.953 39.000 -0.723 0.000 0.987 256 F HN 0.168 nan 8.300 nan 0.000 0.475 257 R N -0.082 120.417 120.500 -0.002 0.000 2.091 257 R HA -0.205 4.148 4.340 0.022 0.000 0.238 257 R C 2.104 178.395 176.300 -0.015 0.000 1.136 257 R CA 1.657 57.762 56.100 0.008 0.000 0.959 257 R CB -0.895 29.453 30.300 0.079 0.000 0.856 257 R HN 0.355 nan 8.270 nan 0.000 0.437 258 D N 0.771 121.156 120.400 -0.025 0.000 2.104 258 D HA -0.174 4.479 4.640 0.022 0.000 0.194 258 D C 1.795 178.063 176.300 -0.053 0.000 0.994 258 D CA 1.274 55.253 54.000 -0.034 0.000 0.830 258 D CB 0.204 40.980 40.800 -0.041 0.000 0.959 258 D HN 0.048 nan 8.370 nan 0.000 0.452 259 L N 0.395 121.563 121.223 -0.092 0.000 2.109 259 L HA -0.030 4.323 4.340 0.022 0.000 0.207 259 L C 2.572 179.406 176.870 -0.061 0.000 1.086 259 L CA 0.772 55.556 54.840 -0.093 0.000 0.760 259 L CB -0.457 41.511 42.059 -0.152 0.000 0.910 259 L HN 0.104 nan 8.230 nan 0.000 0.437 260 L N -1.586 119.599 121.223 -0.063 0.000 2.127 260 L HA 0.216 4.569 4.340 0.022 0.000 0.203 260 L C 1.202 178.062 176.870 -0.016 0.000 1.080 260 L CA 0.550 55.364 54.840 -0.043 0.000 0.768 260 L CB -0.584 41.425 42.059 -0.083 0.000 0.924 260 L HN 0.429 nan 8.230 nan 0.000 0.444 261 G N -0.198 108.596 108.800 -0.011 0.000 2.796 261 G HA2 -0.251 3.722 3.960 0.022 0.000 0.571 261 G HA3 -0.251 3.722 3.960 0.022 0.000 0.571 261 G C -0.161 174.751 174.900 0.021 0.000 1.370 261 G CA -0.119 44.984 45.100 0.005 0.000 0.856 261 G HN 0.141 nan 8.290 nan 0.000 0.538 262 D N -0.095 120.319 120.400 0.023 0.000 2.178 262 D HA 0.167 4.820 4.640 0.022 0.000 0.202 262 D C 1.694 178.008 176.300 0.025 0.000 0.974 262 D CA 2.182 56.202 54.000 0.032 0.000 0.841 262 D CB 0.037 40.852 40.800 0.025 0.000 0.953 262 D HN 1.210 nan 8.370 nan 0.000 0.478 263 S N -1.685 114.021 115.700 0.010 0.000 2.615 263 S HA 0.563 5.046 4.470 0.022 0.000 0.268 263 S C -0.807 173.787 174.600 -0.010 0.000 1.146 263 S CA -0.853 57.343 58.200 -0.006 0.000 0.818 263 S CB 2.171 65.358 63.200 -0.021 0.000 1.111 263 S HN 0.065 nan 8.310 nan 0.000 0.465 264 S N -0.598 115.089 115.700 -0.023 0.000 2.651 264 S HA 0.557 5.040 4.470 0.022 0.000 0.279 264 S C 0.637 175.220 174.600 -0.029 0.000 1.148 264 S CA -0.260 57.931 58.200 -0.015 0.000 0.837 264 S CB 1.542 64.742 63.200 0.001 0.000 1.138 264 S HN 0.997 nan 8.310 nan 0.000 0.478 265 E N 0.371 120.561 120.200 -0.016 0.000 2.097 265 E HA -0.156 4.207 4.350 0.022 0.000 0.196 265 E C 1.548 178.133 176.600 -0.024 0.000 1.000 265 E CA 1.846 58.235 56.400 -0.018 0.000 0.804 265 E CB -0.325 29.372 29.700 -0.006 0.000 0.740 265 E HN 0.507 nan 8.360 nan 0.000 0.454 266 V N 1.190 121.100 119.914 -0.006 0.000 2.231 266 V HA -0.334 3.799 4.120 0.022 0.000 0.248 266 V C 2.694 178.766 176.094 -0.037 0.000 1.054 266 V CA 2.246 64.554 62.300 0.014 0.000 1.015 266 V CB -0.861 30.992 31.823 0.050 0.000 0.638 266 V HN 0.530 nan 8.190 nan 0.000 0.444 267 S N -0.253 115.387 115.700 -0.100 0.000 2.383 267 S HA -0.126 4.357 4.470 0.022 0.000 0.227 267 S C 1.973 176.253 174.600 -0.534 0.000 1.026 267 S CA 1.553 59.522 58.200 -0.385 0.000 0.981 267 S CB -0.631 62.460 63.200 -0.183 0.000 0.818 267 S HN 0.503 nan 8.310 nan 0.000 0.472 268 L N 1.320 122.401 121.223 -0.236 0.000 2.141 268 L HA 0.011 4.365 4.340 0.022 0.000 0.209 268 L C 2.411 179.201 176.870 -0.133 0.000 1.094 268 L CA 1.187 55.927 54.840 -0.166 0.000 0.763 268 L CB -0.502 41.508 42.059 -0.082 0.000 0.908 268 L HN 0.351 nan 8.230 nan 0.000 0.437 269 S N -1.710 113.930 115.700 -0.100 0.000 2.603 269 S HA -0.045 4.438 4.470 0.022 0.000 0.220 269 S C 0.474 175.092 174.600 0.030 0.000 0.967 269 S CA -0.051 58.134 58.200 -0.025 0.000 0.920 269 S CB -0.446 62.753 63.200 -0.001 0.000 0.773 269 S HN 0.557 nan 8.310 nan 0.000 0.529 270 H N 0.726 119.803 119.070 0.012 0.000 2.638 270 H HA 0.610 5.179 4.556 0.022 0.000 0.242 270 H C 0.088 175.422 175.328 0.011 0.000 1.610 270 H CA -1.041 55.014 56.048 0.011 0.000 1.275 270 H CB -0.483 29.287 29.762 0.013 0.000 1.583 270 H HN -0.089 nan 8.280 nan 0.000 0.556 271 K N 1.093 121.553 120.400 0.101 0.000 2.643 271 K HA -0.041 4.292 4.320 0.022 0.000 0.289 271 K C 0.130 176.788 176.600 0.098 0.000 1.110 271 K CA 0.124 56.449 56.287 0.064 0.000 0.890 271 K CB 0.007 32.530 32.500 0.038 0.000 1.010 271 K HN 0.502 nan 8.250 nan 0.000 0.478 272 N N -0.433 118.302 118.700 0.059 0.000 2.353 272 N HA 0.131 4.884 4.740 0.022 0.000 0.248 272 N C 0.012 175.555 175.510 0.055 0.000 1.240 272 N CA 1.131 54.213 53.050 0.053 0.000 0.862 272 N CB 0.817 39.323 38.487 0.032 0.000 1.086 272 N HN 0.604 nan 8.380 nan 0.000 0.453 273 A N 1.177 124.025 122.820 0.046 0.000 2.973 273 A HA -0.082 4.252 4.320 0.022 0.000 0.215 273 A C 0.730 178.323 177.584 0.015 0.000 2.234 273 A CA 0.017 52.069 52.037 0.026 0.000 1.408 273 A CB -1.271 17.742 19.000 0.021 0.000 0.698 273 A HN 0.586 nan 8.150 nan 0.000 0.460 274 D N 0.971 121.392 120.400 0.035 0.000 2.475 274 D HA -0.141 4.513 4.640 0.022 0.000 0.208 274 D C 0.984 177.287 176.300 0.005 0.000 1.137 274 D CA 1.405 55.419 54.000 0.024 0.000 1.084 274 D CB -0.198 40.635 40.800 0.054 0.000 0.950 274 D HN 0.622 nan 8.370 nan 0.000 0.450 275 K N -1.072 119.325 120.400 -0.005 0.000 2.379 275 K HA 0.149 4.482 4.320 0.022 0.000 0.194 275 K C 0.494 177.082 176.600 -0.020 0.000 1.031 275 K CA -0.123 56.158 56.287 -0.010 0.000 1.037 275 K CB 0.814 33.309 32.500 -0.008 0.000 0.824 275 K HN 0.110 nan 8.250 nan 0.000 0.516 276 V N 2.597 122.494 119.914 -0.029 0.000 2.304 276 V HA 0.137 4.270 4.120 0.022 0.000 0.269 276 V C -0.566 175.504 176.094 -0.040 0.000 1.036 276 V CA -0.742 61.536 62.300 -0.038 0.000 0.840 276 V CB 0.762 32.558 31.823 -0.044 0.000 1.036 276 V HN 0.242 nan 8.190 nan 0.000 0.466 277 Q N 4.016 123.793 119.800 -0.038 0.000 2.304 277 Q HA 0.030 4.383 4.340 0.022 0.000 0.301 277 Q C -0.306 175.667 176.000 -0.045 0.000 1.063 277 Q CA 0.644 56.425 55.803 -0.038 0.000 0.947 277 Q CB 0.590 29.304 28.738 -0.039 0.000 1.201 277 Q HN 0.703 nan 8.270 nan 0.000 0.389 278 D N 3.940 124.317 120.400 -0.037 0.000 2.341 278 D HA 0.217 4.870 4.640 0.022 0.000 0.245 278 D C -2.133 174.148 176.300 -0.032 0.000 1.106 278 D CA -1.330 52.649 54.000 -0.035 0.000 0.905 278 D CB 0.414 41.198 40.800 -0.027 0.000 1.202 278 D HN 0.230 nan 8.370 nan 0.000 0.426 279 P HA -0.061 nan 4.420 nan 0.000 0.269 279 P C 0.864 178.202 177.300 0.063 0.000 1.217 279 P CA -0.130 62.938 63.100 -0.053 0.000 0.783 279 P CB 0.358 32.033 31.700 -0.040 0.000 0.898 280 Y N 0.610 120.888 120.300 -0.038 0.000 2.241 280 Y HA -0.211 4.352 4.550 0.021 0.000 0.286 280 Y C 2.476 178.355 175.900 -0.035 0.000 1.166 280 Y CA 1.823 59.900 58.100 -0.039 0.000 1.203 280 Y CB -1.793 36.652 38.460 -0.025 0.000 0.977 280 Y HN 0.363 nan 8.280 nan 0.000 0.529 281 S N -0.892 114.895 115.700 0.144 0.000 2.474 281 S HA -0.101 4.382 4.470 0.022 0.000 0.235 281 S C 1.815 176.445 174.600 0.051 0.000 0.997 281 S CA 1.087 59.337 58.200 0.084 0.000 0.949 281 S CB -0.693 62.546 63.200 0.066 0.000 0.766 281 S HN 0.443 nan 8.310 nan 0.000 0.517 282 L N 0.212 121.456 121.223 0.036 0.000 2.265 282 L HA 0.332 4.685 4.340 0.022 0.000 0.195 282 L C 2.881 179.701 176.870 -0.084 0.000 1.083 282 L CA 0.601 55.444 54.840 0.005 0.000 0.798 282 L CB -0.466 41.603 42.059 0.018 0.000 0.989 282 L HN 0.184 nan 8.230 nan 0.000 0.472 283 R N 0.067 120.519 120.500 -0.081 0.000 2.152 283 R HA -0.100 4.253 4.340 0.022 0.000 0.232 283 R C 1.419 177.604 176.300 -0.193 0.000 1.117 283 R CA 1.395 57.394 56.100 -0.169 0.000 0.981 283 R CB -0.165 30.117 30.300 -0.030 0.000 0.870 283 R HN 0.392 nan 8.270 nan 0.000 0.451 284 C N 0.662 119.893 119.300 -0.115 0.000 2.688 284 C HA 0.255 4.729 4.460 0.022 0.000 0.297 284 C C 1.616 176.550 174.990 -0.093 0.000 1.308 284 C CA -0.662 58.269 59.018 -0.144 0.000 1.726 284 C CB -0.426 27.177 27.740 -0.229 0.000 1.982 284 C HN 0.567 nan 8.230 nan 0.000 0.604 285 Q N 1.957 121.692 119.800 -0.109 0.000 2.096 285 Q HA -0.181 4.172 4.340 0.022 0.000 0.204 285 Q C -0.500 175.526 176.000 0.043 0.000 0.982 285 Q CA 1.871 57.651 55.803 -0.038 0.000 0.850 285 Q CB -0.791 27.844 28.738 -0.171 0.000 0.901 285 Q HN 0.499 nan 8.270 nan 0.000 0.422 286 P HA -0.169 nan 4.420 nan 0.000 0.215 286 P C 0.870 178.200 177.300 0.050 0.000 1.153 286 P CA 1.340 64.463 63.100 0.039 0.000 0.853 286 P CB 0.077 31.667 31.700 -0.182 0.000 0.788 287 Q N -0.976 118.837 119.800 0.022 0.000 2.049 287 Q HA -0.075 4.279 4.340 0.022 0.000 0.198 287 Q C 2.164 178.182 176.000 0.029 0.000 0.971 287 Q CA 1.276 57.092 55.803 0.021 0.000 0.833 287 Q CB -1.330 27.391 28.738 -0.029 0.000 0.896 287 Q HN 0.079 nan 8.270 nan 0.000 0.434 288 V N -0.069 119.861 119.914 0.026 0.000 2.302 288 V HA -0.182 3.951 4.120 0.022 0.000 0.243 288 V C 1.990 178.144 176.094 0.100 0.000 1.036 288 V CA 1.336 63.663 62.300 0.046 0.000 1.020 288 V CB -0.392 31.452 31.823 0.035 0.000 0.657 288 V HN 0.407 nan 8.190 nan 0.000 0.453 289 M N 0.463 120.150 119.600 0.146 0.000 2.296 289 M HA -0.027 4.466 4.480 0.022 0.000 0.265 289 M C 2.251 178.716 176.300 0.276 0.000 1.064 289 M CA 1.746 57.184 55.300 0.229 0.000 1.109 289 M CB -1.636 31.107 32.600 0.239 0.000 1.396 289 M HN 0.456 nan 8.290 nan 0.000 0.430 290 G N 0.056 108.972 108.800 0.192 0.000 2.402 290 G HA2 -0.050 3.923 3.960 0.022 0.000 0.216 290 G HA3 -0.050 3.923 3.960 0.022 0.000 0.216 290 G C 1.686 176.640 174.900 0.089 0.000 1.162 290 G CA 1.048 46.233 45.100 0.143 0.000 0.777 290 G HN 0.517 nan 8.290 nan 0.000 0.539 291 A N 0.218 123.083 122.820 0.075 0.000 1.908 291 A HA -0.127 4.206 4.320 0.022 0.000 0.218 291 A C 2.586 180.201 177.584 0.052 0.000 1.181 291 A CA 1.900 53.967 52.037 0.049 0.000 0.627 291 A CB -1.064 17.959 19.000 0.039 0.000 0.818 291 A HN 0.436 nan 8.150 nan 0.000 0.445 292 C N -1.315 118.038 119.300 0.087 0.000 2.429 292 C HA -0.053 4.420 4.460 0.022 0.000 0.277 292 C C 2.522 177.533 174.990 0.034 0.000 1.262 292 C CA 1.019 60.089 59.018 0.086 0.000 1.733 292 C CB -1.508 26.322 27.740 0.150 0.000 2.010 292 C HN 0.687 nan 8.230 nan 0.000 0.483 293 L N 1.204 122.433 121.223 0.010 0.000 2.017 293 L HA -0.128 4.225 4.340 0.022 0.000 0.208 293 L C 2.525 179.331 176.870 -0.106 0.000 1.073 293 L CA 2.257 56.989 54.840 -0.180 0.000 0.745 293 L CB -1.359 40.545 42.059 -0.259 0.000 0.894 293 L HN 0.259 nan 8.230 nan 0.000 0.432 294 T N -0.888 113.640 114.554 -0.042 0.000 2.665 294 T HA -0.289 4.075 4.350 0.022 0.000 0.268 294 T C 1.810 176.493 174.700 -0.027 0.000 1.035 294 T CA 1.852 63.935 62.100 -0.029 0.000 1.151 294 T CB -0.211 68.653 68.868 -0.006 0.000 0.862 294 T HN 0.414 nan 8.240 nan 0.000 0.438 295 Q N 0.845 120.636 119.800 -0.015 0.000 2.084 295 Q HA -0.087 4.266 4.340 0.022 0.000 0.202 295 Q C 2.130 178.117 176.000 -0.021 0.000 0.978 295 Q CA 1.320 57.117 55.803 -0.011 0.000 0.844 295 Q CB -0.434 28.307 28.738 0.005 0.000 0.898 295 Q HN 0.656 nan 8.270 nan 0.000 0.426 296 L N -1.946 119.256 121.223 -0.035 0.000 2.395 296 L HA 0.134 4.487 4.340 0.022 0.000 0.218 296 L C 1.865 178.704 176.870 -0.051 0.000 1.130 296 L CA 1.212 56.027 54.840 -0.042 0.000 0.826 296 L CB -0.288 41.743 42.059 -0.047 0.000 0.941 296 L HN -0.055 nan 8.230 nan 0.000 0.451 297 R N -0.002 120.462 120.500 -0.059 0.000 2.090 297 R HA -0.043 4.310 4.340 0.022 0.000 0.228 297 R C 2.350 178.630 176.300 -0.033 0.000 1.110 297 R CA 1.560 57.630 56.100 -0.050 0.000 0.973 297 R CB -0.380 29.887 30.300 -0.055 0.000 0.869 297 R HN 0.545 nan 8.270 nan 0.000 0.440 298 Q N 0.041 119.824 119.800 -0.028 0.000 2.096 298 Q HA -0.142 4.212 4.340 0.022 0.000 0.204 298 Q C 2.189 178.176 176.000 -0.022 0.000 0.982 298 Q CA 1.759 57.550 55.803 -0.021 0.000 0.850 298 Q CB -0.163 28.565 28.738 -0.016 0.000 0.901 298 Q HN 0.360 nan 8.270 nan 0.000 0.422 299 A N 1.081 123.886 122.820 -0.026 0.000 1.873 299 A HA -0.087 4.246 4.320 0.022 0.000 0.215 299 A C 2.334 179.895 177.584 -0.037 0.000 1.186 299 A CA 1.477 53.496 52.037 -0.030 0.000 0.616 299 A CB -0.895 18.084 19.000 -0.034 0.000 0.823 299 A HN 0.394 nan 8.150 nan 0.000 0.442 300 A N -0.142 122.655 122.820 -0.038 0.000 1.940 300 A HA -0.235 4.098 4.320 0.022 0.000 0.219 300 A C 2.043 179.615 177.584 -0.019 0.000 1.176 300 A CA 1.968 53.986 52.037 -0.033 0.000 0.631 300 A CB -0.574 18.414 19.000 -0.019 0.000 0.814 300 A HN 0.724 nan 8.150 nan 0.000 0.446 301 E N -0.203 119.987 120.200 -0.017 0.000 2.051 301 E HA -0.143 4.220 4.350 0.022 0.000 0.192 301 E C 1.882 178.476 176.600 -0.011 0.000 0.991 301 E CA 1.592 57.985 56.400 -0.011 0.000 0.799 301 E CB -0.177 29.516 29.700 -0.011 0.000 0.748 301 E HN 0.307 nan 8.360 nan 0.000 0.449 302 V N 1.388 121.293 119.914 -0.015 0.000 2.295 302 V HA -0.264 3.869 4.120 0.022 0.000 0.246 302 V C 2.487 178.571 176.094 -0.017 0.000 1.049 302 V CA 1.606 63.898 62.300 -0.014 0.000 1.024 302 V CB -0.409 31.405 31.823 -0.015 0.000 0.648 302 V HN 0.346 nan 8.190 nan 0.000 0.447 303 L N 0.048 121.255 121.223 -0.027 0.000 2.156 303 L HA 0.002 4.355 4.340 0.022 0.000 0.208 303 L C 2.622 179.481 176.870 -0.019 0.000 1.095 303 L CA 1.396 56.214 54.840 -0.036 0.000 0.770 303 L CB -1.090 40.925 42.059 -0.073 0.000 0.914 303 L HN 0.460 nan 8.230 nan 0.000 0.439 304 G N 0.588 109.384 108.800 -0.008 0.000 2.421 304 G HA2 -0.218 3.755 3.960 0.022 0.000 0.216 304 G HA3 -0.218 3.755 3.960 0.022 0.000 0.216 304 G C 1.534 176.440 174.900 0.010 0.000 1.171 304 G CA 0.460 45.566 45.100 0.011 0.000 0.775 304 G HN 0.117 nan 8.290 nan 0.000 0.543 305 I N 1.007 121.579 120.570 0.003 0.000 2.142 305 I HA -0.131 4.052 4.170 0.022 0.000 0.240 305 I C 2.601 178.718 176.117 0.001 0.000 1.078 305 I CA 1.580 62.882 61.300 0.002 0.000 1.343 305 I CB -0.994 37.004 38.000 -0.003 0.000 1.046 305 I HN 0.228 nan 8.210 nan 0.000 0.405 306 E N 1.195 121.393 120.200 -0.003 0.000 2.160 306 E HA -0.162 4.201 4.350 0.022 0.000 0.195 306 E C 2.141 178.742 176.600 0.002 0.000 0.991 306 E CA 1.397 57.795 56.400 -0.003 0.000 0.810 306 E CB -0.144 29.551 29.700 -0.008 0.000 0.742 306 E HN 0.419 nan 8.360 nan 0.000 0.466 307 A N 0.419 123.243 122.820 0.008 0.000 2.076 307 A HA -0.154 4.179 4.320 0.022 0.000 0.220 307 A C 1.653 179.252 177.584 0.025 0.000 1.160 307 A CA 1.540 53.589 52.037 0.020 0.000 0.653 307 A CB -0.296 18.725 19.000 0.034 0.000 0.801 307 A HN 0.226 nan 8.150 nan 0.000 0.455 308 N N -0.415 118.298 118.700 0.021 0.000 2.236 308 N HA 0.252 5.005 4.740 0.022 0.000 0.196 308 N C 0.349 175.868 175.510 0.014 0.000 1.114 308 N CA 0.625 53.690 53.050 0.024 0.000 0.859 308 N CB 0.229 38.732 38.487 0.026 0.000 0.982 308 N HN 0.432 nan 8.380 nan 0.000 0.493 309 A N 0.735 123.557 122.820 0.003 0.000 2.445 309 A HA 0.272 4.605 4.320 0.022 0.000 0.242 309 A C 0.485 178.057 177.584 -0.020 0.000 1.075 309 A CA -0.172 51.855 52.037 -0.015 0.000 0.777 309 A CB 0.507 19.498 19.000 -0.015 0.000 1.013 309 A HN -0.004 nan 8.150 nan 0.000 0.493 310 V N 3.103 122.978 119.914 -0.064 0.000 2.370 310 V HA 0.184 4.318 4.120 0.022 0.000 0.257 310 V C 1.087 177.150 176.094 -0.052 0.000 1.064 310 V CA 0.917 63.171 62.300 -0.076 0.000 0.975 310 V CB 0.181 31.866 31.823 -0.231 0.000 1.067 310 V HN 1.060 nan 8.190 nan 0.000 0.485 311 S N 1.381 117.072 115.700 -0.015 0.000 2.559 311 S HA 0.118 4.601 4.470 0.022 0.000 0.226 311 S C 0.461 175.067 174.600 0.011 0.000 1.000 311 S CA -0.534 57.666 58.200 -0.001 0.000 0.948 311 S CB 0.025 63.227 63.200 0.004 0.000 0.870 311 S HN 0.804 nan 8.310 nan 0.000 0.497 312 D N 1.816 122.222 120.400 0.009 0.000 2.440 312 D HA 0.378 5.031 4.640 0.022 0.000 0.269 312 D C -0.340 175.974 176.300 0.023 0.000 1.249 312 D CA -0.460 53.550 54.000 0.018 0.000 1.055 312 D CB 0.206 41.015 40.800 0.014 0.000 1.104 312 D HN 0.222 nan 8.370 nan 0.000 0.561 313 N N -1.277 117.443 118.700 0.032 0.000 2.446 313 N HA 0.328 5.081 4.740 0.022 0.000 0.272 313 N C -2.972 172.564 175.510 0.044 0.000 1.127 313 N CA -1.202 51.878 53.050 0.051 0.000 0.896 313 N CB 2.281 40.820 38.487 0.086 0.000 1.658 313 N HN 0.074 nan 8.380 nan 0.000 0.483 314 P HA 0.276 nan 4.420 nan 0.000 0.276 314 P C -0.754 176.539 177.300 -0.011 0.000 1.252 314 P CA -0.351 62.783 63.100 0.057 0.000 0.802 314 P CB 1.048 32.799 31.700 0.085 0.000 1.035 315 L N 0.497 121.695 121.223 -0.042 0.000 2.325 315 L HA 0.391 4.744 4.340 0.022 0.000 0.279 315 L C 0.049 176.676 176.870 -0.405 0.000 1.054 315 L CA -1.197 53.497 54.840 -0.244 0.000 0.804 315 L CB 1.576 43.430 42.059 -0.343 0.000 1.200 315 L HN 0.070 nan 8.230 nan 0.000 0.436 316 V N 2.949 122.613 119.914 -0.416 0.000 2.370 316 V HA 0.268 4.401 4.120 0.022 0.000 0.279 316 V C -0.543 175.279 176.094 -0.453 0.000 1.029 316 V CA -0.208 61.904 62.300 -0.312 0.000 0.870 316 V CB 1.019 32.749 31.823 -0.155 0.000 0.984 316 V HN 0.391 nan 8.190 nan 0.000 0.451 317 F N 3.502 123.502 119.950 0.083 0.000 2.366 317 F HA 0.524 5.064 4.527 0.021 0.000 0.357 317 F C 1.281 177.085 175.800 0.008 0.000 1.107 317 F CA -0.467 57.576 58.000 0.072 0.000 1.208 317 F CB 0.931 39.998 39.000 0.112 0.000 1.464 317 F HN 0.579 nan 8.300 nan 0.000 0.501 318 A N 1.920 124.773 122.820 0.055 0.000 1.948 318 A HA -0.154 4.180 4.320 0.022 0.000 0.220 318 A C 2.445 180.052 177.584 0.038 0.000 1.177 318 A CA 2.098 54.142 52.037 0.013 0.000 0.636 318 A CB -0.728 18.240 19.000 -0.054 0.000 0.815 318 A HN 0.655 nan 8.150 nan 0.000 0.449 319 A N -0.551 122.301 122.820 0.055 0.000 1.908 319 A HA -0.154 4.179 4.320 0.022 0.000 0.218 319 A C 1.850 179.466 177.584 0.053 0.000 1.181 319 A CA 2.035 54.099 52.037 0.045 0.000 0.627 319 A CB -0.354 18.677 19.000 0.052 0.000 0.818 319 A HN 0.530 nan 8.150 nan 0.000 0.445 320 E N -2.286 117.967 120.200 0.088 0.000 2.452 320 E HA 0.339 4.702 4.350 0.022 0.000 0.197 320 E C 1.222 177.864 176.600 0.070 0.000 1.022 320 E CA 0.700 57.140 56.400 0.067 0.000 0.890 320 E CB 0.277 30.013 29.700 0.059 0.000 0.918 320 E HN 0.727 nan 8.360 nan 0.000 0.496 321 G N 0.931 109.781 108.800 0.082 0.000 2.176 321 G HA2 -0.240 3.733 3.960 0.022 0.000 0.253 321 G HA3 -0.240 3.733 3.960 0.022 0.000 0.253 321 G C -0.340 174.614 174.900 0.090 0.000 0.979 321 G CA 0.248 45.388 45.100 0.066 0.000 0.641 321 G HN 0.234 nan 8.290 nan 0.000 0.530 322 D N 0.156 120.645 120.400 0.148 0.000 2.302 322 D HA 0.533 5.186 4.640 0.022 0.000 0.248 322 D C 0.186 176.620 176.300 0.222 0.000 1.094 322 D CA -0.102 54.007 54.000 0.181 0.000 0.897 322 D CB 2.193 43.117 40.800 0.207 0.000 1.200 322 D HN 0.130 nan 8.370 nan 0.000 0.429 323 V N 2.909 122.921 119.914 0.165 0.000 2.487 323 V HA 0.444 4.577 4.120 0.022 0.000 0.298 323 V C 0.118 176.319 176.094 0.178 0.000 1.028 323 V CA -0.665 61.715 62.300 0.135 0.000 0.860 323 V CB 1.500 33.360 31.823 0.062 0.000 0.991 323 V HN 0.374 nan 8.190 nan 0.000 0.427 324 I N 2.897 123.600 120.570 0.221 0.000 2.582 324 I HA 0.406 4.589 4.170 0.022 0.000 0.292 324 I C -0.113 176.116 176.117 0.188 0.000 1.066 324 I CA -0.481 60.955 61.300 0.227 0.000 1.053 324 I CB 2.337 40.524 38.000 0.312 0.000 1.241 324 I HN 0.542 nan 8.210 nan 0.000 0.421 325 S N 3.409 119.210 115.700 0.170 0.000 2.452 325 S HA 0.751 5.234 4.470 0.022 0.000 0.284 325 S C 0.006 174.684 174.600 0.130 0.000 1.171 325 S CA -0.260 58.040 58.200 0.168 0.000 1.064 325 S CB 0.727 64.052 63.200 0.208 0.000 0.967 325 S HN 0.856 nan 8.310 nan 0.000 0.484 326 G N 2.262 111.136 108.800 0.122 0.000 3.243 326 G HA2 0.603 4.576 3.960 0.022 0.000 0.248 326 G HA3 0.603 4.576 3.960 0.022 0.000 0.248 326 G C 0.196 175.152 174.900 0.092 0.000 1.267 326 G CA -0.267 44.891 45.100 0.097 0.000 0.906 326 G HN 0.874 nan 8.290 nan 0.000 0.592 327 G N -0.462 108.385 108.800 0.078 0.000 3.993 327 G HA2 0.185 4.158 3.960 0.022 0.000 0.294 327 G HA3 0.185 4.158 3.960 0.022 0.000 0.294 327 G C 0.532 175.492 174.900 0.099 0.000 1.043 327 G CA -0.116 45.041 45.100 0.094 0.000 0.839 327 G HN 0.302 nan 8.290 nan 0.000 0.516 328 N N 1.400 120.143 118.700 0.073 0.000 2.519 328 N HA -0.057 4.696 4.740 0.022 0.000 0.186 328 N C 2.173 177.726 175.510 0.071 0.000 1.062 328 N CA 0.910 53.994 53.050 0.057 0.000 0.910 328 N CB 0.153 38.656 38.487 0.027 0.000 0.958 328 N HN 0.379 nan 8.380 nan 0.000 0.445 329 A N -0.436 122.433 122.820 0.083 0.000 2.208 329 A HA -0.073 4.260 4.320 0.022 0.000 0.209 329 A C 0.705 178.333 177.584 0.073 0.000 1.161 329 A CA 0.103 52.177 52.037 0.061 0.000 0.782 329 A CB -0.462 18.567 19.000 0.049 0.000 0.816 329 A HN 0.256 nan 8.150 nan 0.000 0.477 330 H N 0.794 119.879 119.070 0.024 0.000 2.944 330 H HA 0.421 4.989 4.556 0.020 0.000 0.278 330 H C 0.552 175.891 175.328 0.019 0.000 1.083 330 H CA 0.232 56.298 56.048 0.031 0.000 1.479 330 H CB 0.869 30.662 29.762 0.051 0.000 1.486 330 H HN 0.135 nan 8.280 nan 0.000 0.493 331 A N 4.552 127.455 122.820 0.139 0.000 2.532 331 A HA 0.039 4.372 4.320 0.022 0.000 0.273 331 A C 1.921 179.600 177.584 0.158 0.000 1.342 331 A CA 0.020 52.121 52.037 0.107 0.000 0.929 331 A CB -0.283 18.716 19.000 -0.002 0.000 1.051 331 A HN 0.808 nan 8.150 nan 0.000 0.521 332 E N 1.763 122.178 120.200 0.359 0.000 2.108 332 E HA -0.204 4.159 4.350 0.022 0.000 0.203 332 E C -0.574 176.086 176.600 0.100 0.000 1.022 332 E CA 2.708 59.249 56.400 0.234 0.000 0.823 332 E CB -0.566 29.235 29.700 0.167 0.000 0.744 332 E HN 0.515 nan 8.360 nan 0.000 0.456 333 P HA -0.115 nan 4.420 nan 0.000 0.218 333 P C 1.401 178.712 177.300 0.019 0.000 1.149 333 P CA 1.068 64.185 63.100 0.027 0.000 0.817 333 P CB 0.024 31.733 31.700 0.014 0.000 0.785 334 V N 0.840 120.766 119.914 0.020 0.000 2.358 334 V HA -0.203 3.931 4.120 0.022 0.000 0.246 334 V C 2.841 178.936 176.094 0.001 0.000 1.047 334 V CA 2.099 64.399 62.300 0.000 0.000 1.035 334 V CB -1.728 30.088 31.823 -0.011 0.000 0.658 334 V HN 0.104 nan 8.190 nan 0.000 0.452 335 A N -0.383 122.447 122.820 0.017 0.000 1.877 335 A HA -0.220 4.113 4.320 0.022 0.000 0.216 335 A C 2.264 179.860 177.584 0.020 0.000 1.186 335 A CA 2.178 54.226 52.037 0.019 0.000 0.620 335 A CB -0.466 18.558 19.000 0.040 0.000 0.822 335 A HN 0.478 nan 8.150 nan 0.000 0.443 336 M N -0.637 118.977 119.600 0.023 0.000 2.117 336 M HA -0.134 4.359 4.480 0.022 0.000 0.262 336 M C 2.564 178.865 176.300 0.002 0.000 1.065 336 M CA 1.333 56.641 55.300 0.013 0.000 1.114 336 M CB -0.477 32.130 32.600 0.013 0.000 1.361 336 M HN 0.496 nan 8.290 nan 0.000 0.408 337 A N 0.620 123.438 122.820 -0.003 0.000 1.908 337 A HA -0.118 4.215 4.320 0.022 0.000 0.218 337 A C 2.381 179.956 177.584 -0.014 0.000 1.181 337 A CA 2.098 54.127 52.037 -0.013 0.000 0.627 337 A CB -0.977 18.010 19.000 -0.021 0.000 0.818 337 A HN 0.504 nan 8.150 nan 0.000 0.445 338 A N -0.076 122.736 122.820 -0.013 0.000 1.877 338 A HA -0.201 4.132 4.320 0.022 0.000 0.216 338 A C 1.799 179.383 177.584 -0.000 0.000 1.186 338 A CA 1.932 53.961 52.037 -0.013 0.000 0.620 338 A CB -0.638 18.349 19.000 -0.022 0.000 0.822 338 A HN 0.467 nan 8.150 nan 0.000 0.443 339 D N 0.097 120.501 120.400 0.007 0.000 2.144 339 D HA -0.126 4.527 4.640 0.022 0.000 0.199 339 D C 1.641 177.941 176.300 0.001 0.000 0.984 339 D CA 1.158 55.163 54.000 0.009 0.000 0.834 339 D CB -0.406 40.394 40.800 -0.000 0.000 0.955 339 D HN 0.370 nan 8.370 nan 0.000 0.465 340 N N 0.623 119.321 118.700 -0.002 0.000 2.069 340 N HA -0.109 4.644 4.740 0.022 0.000 0.191 340 N C 2.060 177.573 175.510 0.004 0.000 1.031 340 N CA 0.513 53.562 53.050 -0.002 0.000 0.852 340 N CB -0.582 37.901 38.487 -0.006 0.000 1.018 340 N HN 0.243 nan 8.380 nan 0.000 0.423 341 L N 0.540 121.765 121.223 0.004 0.000 2.191 341 L HA -0.092 4.261 4.340 0.022 0.000 0.212 341 L C 2.305 179.193 176.870 0.030 0.000 1.103 341 L CA 0.814 55.663 54.840 0.014 0.000 0.769 341 L CB -0.432 41.632 42.059 0.008 0.000 0.908 341 L HN 0.132 nan 8.230 nan 0.000 0.438 342 A N 0.466 123.301 122.820 0.026 0.000 1.883 342 A HA -0.187 4.146 4.320 0.022 0.000 0.217 342 A C 2.230 179.836 177.584 0.037 0.000 1.186 342 A CA 1.467 53.525 52.037 0.035 0.000 0.624 342 A CB -0.695 18.324 19.000 0.032 0.000 0.822 342 A HN 0.370 nan 8.150 nan 0.000 0.444 343 L N -0.868 120.371 121.223 0.027 0.000 2.042 343 L HA -0.255 4.098 4.340 0.022 0.000 0.210 343 L C 3.076 179.970 176.870 0.041 0.000 1.076 343 L CA 1.302 56.159 54.840 0.028 0.000 0.749 343 L CB -0.775 41.294 42.059 0.017 0.000 0.893 343 L HN 0.467 nan 8.230 nan 0.000 0.432 344 A N 0.367 123.214 122.820 0.045 0.000 1.873 344 A HA -0.129 4.204 4.320 0.022 0.000 0.215 344 A C 2.209 179.840 177.584 0.078 0.000 1.186 344 A CA 1.340 53.414 52.037 0.063 0.000 0.616 344 A CB -0.571 18.464 19.000 0.057 0.000 0.823 344 A HN 0.331 nan 8.150 nan 0.000 0.442 345 I N -0.192 120.423 120.570 0.076 0.000 2.286 345 I HA -0.260 3.923 4.170 0.022 0.000 0.248 345 I C 2.927 179.087 176.117 0.072 0.000 1.115 345 I CA 1.006 62.357 61.300 0.085 0.000 1.392 345 I CB -0.269 37.787 38.000 0.094 0.000 1.065 345 I HN 0.356 nan 8.210 nan 0.000 0.418 346 A N 0.251 123.108 122.820 0.062 0.000 1.898 346 A HA -0.163 4.170 4.320 0.022 0.000 0.216 346 A C 2.242 179.859 177.584 0.055 0.000 1.181 346 A CA 1.375 53.444 52.037 0.055 0.000 0.620 346 A CB -0.346 18.683 19.000 0.047 0.000 0.819 346 A HN 0.292 nan 8.150 nan 0.000 0.442 347 E N -0.116 120.118 120.200 0.057 0.000 2.152 347 E HA -0.059 4.304 4.350 0.022 0.000 0.192 347 E C 1.925 178.565 176.600 0.067 0.000 0.983 347 E CA 0.616 57.050 56.400 0.058 0.000 0.818 347 E CB -0.326 29.407 29.700 0.055 0.000 0.758 347 E HN 0.724 nan 8.360 nan 0.000 0.467 348 I N 0.559 121.175 120.570 0.077 0.000 2.226 348 I HA -0.196 3.987 4.170 0.022 0.000 0.245 348 I C 2.401 178.556 176.117 0.063 0.000 1.100 348 I CA 1.396 62.743 61.300 0.078 0.000 1.374 348 I CB -0.390 37.665 38.000 0.091 0.000 1.057 348 I HN 0.109 nan 8.210 nan 0.000 0.413 349 G N -0.695 108.141 108.800 0.060 0.000 2.403 349 G HA2 -0.252 3.721 3.960 0.022 0.000 0.216 349 G HA3 -0.252 3.721 3.960 0.022 0.000 0.216 349 G C 1.755 176.687 174.900 0.054 0.000 1.154 349 G CA 0.902 46.035 45.100 0.055 0.000 0.784 349 G HN 0.384 nan 8.290 nan 0.000 0.538 350 S N -0.034 115.698 115.700 0.053 0.000 2.356 350 S HA -0.101 4.383 4.470 0.022 0.000 0.223 350 S C 2.346 176.978 174.600 0.054 0.000 1.032 350 S CA 1.418 59.648 58.200 0.050 0.000 1.005 350 S CB -0.290 62.939 63.200 0.048 0.000 0.867 350 S HN 0.183 nan 8.310 nan 0.000 0.449 351 L N 1.492 122.750 121.223 0.058 0.000 2.083 351 L HA 0.030 4.383 4.340 0.022 0.000 0.209 351 L C 2.618 179.525 176.870 0.063 0.000 1.083 351 L CA 2.201 57.078 54.840 0.061 0.000 0.752 351 L CB -1.058 41.040 42.059 0.066 0.000 0.899 351 L HN 0.441 nan 8.230 nan 0.000 0.433 352 S N -1.094 114.643 115.700 0.062 0.000 2.368 352 S HA -0.214 4.269 4.470 0.022 0.000 0.224 352 S C 2.081 176.719 174.600 0.063 0.000 1.029 352 S CA 1.265 59.503 58.200 0.063 0.000 0.988 352 S CB -0.484 62.751 63.200 0.059 0.000 0.838 352 S HN 0.589 nan 8.310 nan 0.000 0.462 353 E N 0.902 121.137 120.200 0.059 0.000 2.110 353 E HA -0.144 4.220 4.350 0.022 0.000 0.193 353 E C 2.071 178.703 176.600 0.053 0.000 0.988 353 E CA 0.819 57.253 56.400 0.056 0.000 0.804 353 E CB -0.170 29.560 29.700 0.050 0.000 0.745 353 E HN 0.341 nan 8.360 nan 0.000 0.458 354 R N 0.263 120.794 120.500 0.052 0.000 2.148 354 R HA 0.025 4.379 4.340 0.022 0.000 0.223 354 R C 2.388 178.714 176.300 0.044 0.000 1.088 354 R CA 0.503 56.632 56.100 0.047 0.000 0.985 354 R CB -0.378 29.952 30.300 0.051 0.000 0.880 354 R HN 0.211 nan 8.270 nan 0.000 0.451 355 R N 0.136 120.666 120.500 0.050 0.000 2.092 355 R HA 0.018 4.371 4.340 0.022 0.000 0.231 355 R C 2.352 178.675 176.300 0.038 0.000 1.119 355 R CA 0.982 57.109 56.100 0.045 0.000 0.970 355 R CB -0.312 30.023 30.300 0.058 0.000 0.864 355 R HN 0.154 nan 8.270 nan 0.000 0.440 356 I N 0.089 120.689 120.570 0.050 0.000 2.127 356 I HA -0.338 3.845 4.170 0.022 0.000 0.241 356 I C 2.595 178.737 176.117 0.040 0.000 1.075 356 I CA 1.300 62.632 61.300 0.053 0.000 1.334 356 I CB -0.454 37.592 38.000 0.077 0.000 1.040 356 I HN 0.125 nan 8.210 nan 0.000 0.405 357 S N 0.828 116.554 115.700 0.044 0.000 2.372 357 S HA -0.262 4.221 4.470 0.022 0.000 0.227 357 S C 2.105 176.707 174.600 0.004 0.000 1.044 357 S CA 1.890 60.112 58.200 0.037 0.000 1.050 357 S CB -0.531 62.692 63.200 0.038 0.000 0.901 357 S HN 0.414 nan 8.310 nan 0.000 0.447 358 L N 0.528 121.751 121.223 -0.000 0.000 2.042 358 L HA -0.087 4.266 4.340 0.022 0.000 0.210 358 L C 2.417 179.258 176.870 -0.048 0.000 1.076 358 L CA 1.720 56.548 54.840 -0.020 0.000 0.749 358 L CB -0.262 41.792 42.059 -0.008 0.000 0.893 358 L HN 0.418 nan 8.230 nan 0.000 0.432 359 M N -1.370 118.205 119.600 -0.043 0.000 2.374 359 M HA -0.153 4.340 4.480 0.022 0.000 0.264 359 M C 1.727 177.956 176.300 -0.119 0.000 1.067 359 M CA 1.048 56.303 55.300 -0.074 0.000 1.103 359 M CB -0.010 32.548 32.600 -0.069 0.000 1.402 359 M HN 0.341 nan 8.290 nan 0.000 0.444 360 M N -0.849 118.683 119.600 -0.114 0.000 2.506 360 M HA 0.040 4.533 4.480 0.022 0.000 0.260 360 M C 0.270 176.299 176.300 -0.452 0.000 1.104 360 M CA 0.702 55.863 55.300 -0.233 0.000 1.112 360 M CB -0.857 31.708 32.600 -0.058 0.000 1.401 360 M HN -0.031 nan 8.290 nan 0.000 0.473 361 D N 2.536 122.779 120.400 -0.261 0.000 2.411 361 D HA 0.054 4.707 4.640 0.022 0.000 0.225 361 D C 1.148 177.324 176.300 -0.207 0.000 1.156 361 D CA 0.043 53.908 54.000 -0.225 0.000 0.874 361 D CB 0.845 41.588 40.800 -0.096 0.000 1.034 361 D HN 0.247 nan 8.370 nan 0.000 0.502 362 K N 3.281 123.505 120.400 -0.293 0.000 2.360 362 K HA -0.186 4.147 4.320 0.022 0.000 0.201 362 K C 0.446 176.890 176.600 -0.260 0.000 1.046 362 K CA 1.092 57.216 56.287 -0.272 0.000 0.945 362 K CB -0.256 32.057 32.500 -0.311 0.000 0.750 362 K HN 0.515 nan 8.250 nan 0.000 0.464 363 H N -0.391 118.625 119.070 -0.090 0.000 2.548 363 H HA 0.180 4.749 4.556 0.021 0.000 0.268 363 H C 1.631 176.918 175.328 -0.068 0.000 0.975 363 H CA 1.029 57.036 56.048 -0.068 0.000 1.195 363 H CB 0.208 29.935 29.762 -0.060 0.000 1.397 363 H HN 0.159 nan 8.280 nan 0.000 0.572 364 M N -1.169 118.438 119.600 0.011 0.000 2.800 364 M HA -0.004 4.489 4.480 0.022 0.000 0.257 364 M C 2.187 178.462 176.300 -0.043 0.000 1.309 364 M CA 0.615 55.906 55.300 -0.016 0.000 1.202 364 M CB 0.570 33.155 32.600 -0.025 0.000 1.273 364 M HN 0.204 nan 8.290 nan 0.000 0.528 365 S N -0.319 115.341 115.700 -0.067 0.000 2.470 365 S HA -0.029 4.454 4.470 0.022 0.000 0.225 365 S C 0.990 175.552 174.600 -0.065 0.000 1.006 365 S CA 0.262 58.419 58.200 -0.071 0.000 0.934 365 S CB -0.213 62.928 63.200 -0.098 0.000 0.778 365 S HN 0.549 nan 8.310 nan 0.000 0.517 366 Q N 0.200 119.960 119.800 -0.066 0.000 2.480 366 Q HA -0.135 4.218 4.340 0.022 0.000 0.265 366 Q C -0.886 175.084 176.000 -0.051 0.000 1.072 366 Q CA 0.798 56.567 55.803 -0.056 0.000 1.018 366 Q CB -1.814 26.893 28.738 -0.050 0.000 1.433 366 Q HN 0.639 nan 8.270 nan 0.000 0.513 367 L N -0.930 120.252 121.223 -0.068 0.000 2.309 367 L HA 0.632 4.985 4.340 0.022 0.000 0.261 367 L C -2.179 174.645 176.870 -0.077 0.000 1.021 367 L CA -2.527 52.277 54.840 -0.060 0.000 0.823 367 L CB 1.431 43.450 42.059 -0.065 0.000 1.366 367 L HN -0.219 nan 8.230 nan 0.000 0.423 368 P HA 0.090 nan 4.420 nan 0.000 0.267 368 P C -2.556 174.693 177.300 -0.086 0.000 1.200 368 P CA -0.893 62.182 63.100 -0.041 0.000 0.772 368 P CB -0.386 31.325 31.700 0.018 0.000 0.855 369 P HA 0.016 nan 4.420 nan 0.000 0.265 369 P C -0.092 177.143 177.300 -0.108 0.000 1.193 369 P CA 0.356 63.295 63.100 -0.268 0.000 0.765 369 P CB -0.277 31.303 31.700 -0.200 0.000 0.823 370 F N 1.085 121.036 119.950 0.001 0.000 3.069 370 F HA -0.258 4.281 4.527 0.021 0.000 0.285 370 F C 0.978 176.800 175.800 0.037 0.000 0.827 370 F CA 0.078 58.098 58.000 0.034 0.000 1.108 370 F CB -2.099 36.940 39.000 0.064 0.000 1.252 370 F HN 0.252 nan 8.300 nan 0.000 0.483 371 L N -2.086 119.162 121.223 0.043 0.000 3.898 371 L HA -0.229 4.125 4.340 0.022 0.000 0.407 371 L C -0.202 176.731 176.870 0.106 0.000 1.207 371 L CA 0.483 55.298 54.840 -0.040 0.000 0.931 371 L CB -1.730 40.104 42.059 -0.375 0.000 2.014 371 L HN 0.234 nan 8.230 nan 0.000 0.858 372 V N 0.036 120.055 119.914 0.175 0.000 2.888 372 V HA 0.457 4.590 4.120 0.022 0.000 0.309 372 V C -0.231 175.968 176.094 0.175 0.000 1.114 372 V CA -0.548 61.894 62.300 0.237 0.000 0.940 372 V CB 2.434 34.458 31.823 0.336 0.000 1.021 372 V HN 0.272 nan 8.190 nan 0.000 0.426 373 E N 5.173 125.476 120.200 0.172 0.000 2.376 373 E HA 0.336 4.699 4.350 0.022 0.000 0.266 373 E C 0.090 176.759 176.600 0.116 0.000 1.009 373 E CA 0.156 56.632 56.400 0.127 0.000 0.902 373 E CB 0.011 29.787 29.700 0.127 0.000 0.972 373 E HN 0.599 nan 8.360 nan 0.000 0.439 374 N N 2.144 120.898 118.700 0.090 0.000 2.708 374 N HA -0.149 4.604 4.740 0.022 0.000 0.255 374 N C 0.506 176.071 175.510 0.093 0.000 1.046 374 N CA 0.875 53.971 53.050 0.078 0.000 0.715 374 N CB -1.122 37.403 38.487 0.064 0.000 0.895 374 N HN 0.825 nan 8.380 nan 0.000 0.545 375 G N -0.603 108.262 108.800 0.108 0.000 2.776 375 G HA2 0.056 4.030 3.960 0.022 0.000 0.209 375 G HA3 0.056 4.030 3.960 0.022 0.000 0.209 375 G C 1.418 176.380 174.900 0.103 0.000 1.145 375 G CA 0.740 45.919 45.100 0.132 0.000 0.791 375 G HN 0.532 nan 8.290 nan 0.000 0.530 376 G N -0.083 108.763 108.800 0.076 0.000 2.422 376 G HA2 -0.027 3.946 3.960 0.022 0.000 0.218 376 G HA3 -0.027 3.946 3.960 0.022 0.000 0.218 376 G C 1.149 176.080 174.900 0.052 0.000 1.140 376 G CA 1.280 46.415 45.100 0.060 0.000 0.775 376 G HN 0.350 nan 8.290 nan 0.000 0.545 377 V N 0.133 120.081 119.914 0.056 0.000 3.398 377 V HA 0.242 4.375 4.120 0.022 0.000 0.298 377 V C -0.157 175.974 176.094 0.061 0.000 1.496 377 V CA -0.391 61.938 62.300 0.047 0.000 1.044 377 V CB 0.136 31.982 31.823 0.038 0.000 0.880 377 V HN 0.195 nan 8.190 nan 0.000 0.443 378 N N -0.171 118.580 118.700 0.086 0.000 2.314 378 N HA 0.337 5.091 4.740 0.022 0.000 0.294 378 N C 0.389 175.974 175.510 0.126 0.000 1.029 378 N CA -0.140 52.982 53.050 0.121 0.000 0.845 378 N CB 2.253 40.834 38.487 0.158 0.000 1.321 378 N HN -0.054 nan 8.380 nan 0.000 0.481 379 S N 0.544 116.308 115.700 0.107 0.000 2.501 379 S HA 0.131 4.614 4.470 0.022 0.000 0.220 379 S C 1.398 176.034 174.600 0.060 0.000 0.997 379 S CA 0.392 58.600 58.200 0.014 0.000 0.919 379 S CB 0.029 63.194 63.200 -0.058 0.000 0.778 379 S HN 0.938 nan 8.310 nan 0.000 0.523 380 G N 1.901 110.837 108.800 0.227 0.000 2.591 380 G HA2 -0.333 3.640 3.960 0.022 0.000 0.298 380 G HA3 -0.333 3.640 3.960 0.022 0.000 0.298 380 G C 0.329 175.245 174.900 0.026 0.000 1.195 380 G CA 0.636 45.876 45.100 0.234 0.000 0.989 380 G HN 0.409 nan 8.290 nan 0.000 0.551 381 F N 1.183 121.090 119.950 -0.072 0.000 2.765 381 F HA 0.432 4.972 4.527 0.021 0.000 0.302 381 F C 2.580 178.251 175.800 -0.216 0.000 1.111 381 F CA 1.048 58.948 58.000 -0.167 0.000 1.359 381 F CB 0.007 38.993 39.000 -0.023 0.000 1.097 381 F HN 0.358 nan 8.300 nan 0.000 0.577 382 M N -0.287 119.236 119.600 -0.129 0.000 2.106 382 M HA -0.253 4.240 4.480 0.022 0.000 0.259 382 M C 1.650 177.780 176.300 -0.282 0.000 1.068 382 M CA 1.835 56.897 55.300 -0.397 0.000 1.100 382 M CB -0.060 31.937 32.600 -1.005 0.000 1.351 382 M HN 0.026 nan 8.290 nan 0.000 0.404 383 I N -0.022 120.348 120.570 -0.334 0.000 2.852 383 I HA -0.032 4.151 4.170 0.022 0.000 0.264 383 I C 2.669 178.588 176.117 -0.330 0.000 1.179 383 I CA 1.013 62.144 61.300 -0.283 0.000 1.480 383 I CB -2.076 35.779 38.000 -0.242 0.000 1.111 383 I HN 0.252 nan 8.210 nan 0.000 0.441 384 A N 0.577 123.050 122.820 -0.579 0.000 1.948 384 A HA -0.266 4.068 4.320 0.022 0.000 0.220 384 A C 2.311 179.783 177.584 -0.187 0.000 1.177 384 A CA 1.782 53.505 52.037 -0.523 0.000 0.636 384 A CB -0.705 17.764 19.000 -0.884 0.000 0.815 384 A HN 0.466 nan 8.150 nan 0.000 0.449 385 Q N 0.055 119.800 119.800 -0.093 0.000 2.124 385 Q HA -0.121 4.233 4.340 0.022 0.000 0.202 385 Q C 2.075 178.070 176.000 -0.009 0.000 0.977 385 Q CA 1.943 57.754 55.803 0.013 0.000 0.850 385 Q CB -0.300 28.494 28.738 0.094 0.000 0.901 385 Q HN 0.450 nan 8.270 nan 0.000 0.429 386 V N 0.621 120.506 119.914 -0.048 0.000 2.343 386 V HA -0.246 3.887 4.120 0.022 0.000 0.247 386 V C 2.395 178.468 176.094 -0.034 0.000 1.051 386 V CA 2.143 64.420 62.300 -0.039 0.000 1.036 386 V CB -1.002 30.783 31.823 -0.062 0.000 0.654 386 V HN 0.386 nan 8.190 nan 0.000 0.451 387 T N 0.401 114.920 114.554 -0.059 0.000 2.684 387 T HA -0.208 4.156 4.350 0.022 0.000 0.267 387 T C 2.059 176.754 174.700 -0.009 0.000 1.036 387 T CA 1.786 63.862 62.100 -0.039 0.000 1.148 387 T CB -0.441 68.390 68.868 -0.061 0.000 0.863 387 T HN 0.589 nan 8.240 nan 0.000 0.436 388 A N 1.283 124.103 122.820 -0.001 0.000 1.902 388 A HA 0.135 4.468 4.320 0.022 0.000 0.217 388 A C 2.629 180.228 177.584 0.026 0.000 1.181 388 A CA 1.887 53.939 52.037 0.025 0.000 0.623 388 A CB -1.064 17.962 19.000 0.042 0.000 0.818 388 A HN 0.516 nan 8.150 nan 0.000 0.443 389 A N -0.119 122.713 122.820 0.020 0.000 1.902 389 A HA 0.161 4.494 4.320 0.022 0.000 0.217 389 A C 2.510 180.105 177.584 0.018 0.000 1.181 389 A CA 2.074 54.124 52.037 0.022 0.000 0.623 389 A CB -1.024 17.989 19.000 0.021 0.000 0.818 389 A HN 1.062 nan 8.150 nan 0.000 0.443 390 A N -0.168 122.658 122.820 0.011 0.000 1.902 390 A HA -0.063 4.270 4.320 0.022 0.000 0.217 390 A C 2.183 179.777 177.584 0.017 0.000 1.181 390 A CA 1.583 53.626 52.037 0.011 0.000 0.623 390 A CB -0.608 18.394 19.000 0.004 0.000 0.818 390 A HN 0.485 nan 8.150 nan 0.000 0.443 391 L N -0.958 120.277 121.223 0.020 0.000 2.027 391 L HA -0.140 4.213 4.340 0.022 0.000 0.206 391 L C 3.119 180.008 176.870 0.031 0.000 1.074 391 L CA 1.008 55.863 54.840 0.026 0.000 0.745 391 L CB -0.701 41.375 42.059 0.028 0.000 0.898 391 L HN 0.416 nan 8.230 nan 0.000 0.433 392 A N -0.544 122.296 122.820 0.033 0.000 1.908 392 A HA -0.268 4.066 4.320 0.022 0.000 0.218 392 A C 2.566 180.170 177.584 0.033 0.000 1.181 392 A CA 2.234 54.293 52.037 0.036 0.000 0.627 392 A CB -0.820 18.203 19.000 0.038 0.000 0.818 392 A HN 0.372 nan 8.150 nan 0.000 0.445 393 S N -0.823 114.894 115.700 0.029 0.000 2.359 393 S HA -0.243 4.240 4.470 0.022 0.000 0.224 393 S C 2.012 176.627 174.600 0.026 0.000 1.035 393 S CA 1.781 59.996 58.200 0.026 0.000 1.018 393 S CB -0.398 62.814 63.200 0.021 0.000 0.876 393 S HN 0.650 nan 8.310 nan 0.000 0.448 394 E N 0.361 120.576 120.200 0.026 0.000 2.130 394 E HA -0.197 4.166 4.350 0.022 0.000 0.196 394 E C 1.662 178.281 176.600 0.032 0.000 0.998 394 E CA 1.266 57.681 56.400 0.026 0.000 0.806 394 E CB -0.177 29.538 29.700 0.026 0.000 0.738 394 E HN 0.454 nan 8.360 nan 0.000 0.459 395 N N 0.619 119.341 118.700 0.036 0.000 2.364 395 N HA -0.131 4.622 4.740 0.022 0.000 0.183 395 N C 1.356 176.891 175.510 0.042 0.000 1.022 395 N CA 0.846 53.921 53.050 0.042 0.000 0.883 395 N CB -0.020 38.494 38.487 0.044 0.000 0.965 395 N HN 0.208 nan 8.380 nan 0.000 0.438 396 K N 0.540 120.963 120.400 0.038 0.000 2.001 396 K HA 0.036 4.369 4.320 0.022 0.000 0.208 396 K C 2.055 178.683 176.600 0.046 0.000 1.048 396 K CA 1.238 57.548 56.287 0.039 0.000 0.932 396 K CB -0.160 32.361 32.500 0.034 0.000 0.715 396 K HN 0.095 nan 8.250 nan 0.000 0.437 397 A N 1.581 124.424 122.820 0.038 0.000 1.902 397 A HA -0.130 4.203 4.320 0.022 0.000 0.217 397 A C 2.120 179.738 177.584 0.057 0.000 1.181 397 A CA 1.283 53.343 52.037 0.037 0.000 0.623 397 A CB -0.714 18.295 19.000 0.014 0.000 0.818 397 A HN 0.178 nan 8.150 nan 0.000 0.443 398 L N -0.226 121.030 121.223 0.054 0.000 2.265 398 L HA -0.129 4.224 4.340 0.022 0.000 0.215 398 L C 2.474 179.391 176.870 0.078 0.000 1.117 398 L CA 1.066 55.946 54.840 0.067 0.000 0.782 398 L CB -0.251 41.840 42.059 0.054 0.000 0.914 398 L HN 0.286 nan 8.230 nan 0.000 0.441 399 S N -2.263 113.476 115.700 0.066 0.000 2.474 399 S HA -0.140 4.344 4.470 0.022 0.000 0.235 399 S C 0.726 175.345 174.600 0.031 0.000 0.997 399 S CA 0.161 58.390 58.200 0.048 0.000 0.949 399 S CB -0.534 62.689 63.200 0.038 0.000 0.766 399 S HN 0.439 nan 8.310 nan 0.000 0.517 400 H N 3.223 122.275 119.070 -0.030 0.000 3.070 400 H HA 0.121 4.652 4.556 -0.042 0.000 0.313 400 H C -2.473 172.789 175.328 -0.110 0.000 0.997 400 H CA -1.367 54.636 56.048 -0.075 0.000 1.438 400 H CB 0.478 30.175 29.762 -0.108 0.000 1.455 400 H HN 0.064 nan 8.280 nan 0.000 0.575 401 P HA 0.009 nan 4.420 nan 0.000 0.271 401 P C 0.032 177.202 177.300 -0.218 0.000 1.216 401 P CA 0.161 63.103 63.100 -0.264 0.000 0.771 401 P CB 0.863 32.409 31.700 -0.256 0.000 0.864 402 H N 0.729 119.774 119.070 -0.041 0.000 2.562 402 H HA -0.012 4.581 4.556 0.062 0.000 0.267 402 H C 1.767 177.084 175.328 -0.018 0.000 0.959 402 H CA 1.174 57.217 56.048 -0.008 0.000 1.204 402 H CB 0.149 29.902 29.762 -0.016 0.000 1.430 402 H HN 0.487 nan 8.280 nan 0.000 0.545 403 S N 1.163 116.911 115.700 0.080 0.000 2.507 403 S HA -0.082 4.401 4.470 0.022 0.000 0.235 403 S C 1.989 176.616 174.600 0.045 0.000 0.988 403 S CA 0.880 59.115 58.200 0.058 0.000 0.944 403 S CB -0.882 62.346 63.200 0.046 0.000 0.762 403 S HN 0.274 nan 8.310 nan 0.000 0.526 404 V N -1.623 118.299 119.914 0.014 0.000 3.623 404 V HA 0.320 4.453 4.120 0.022 0.000 0.271 404 V C 0.182 176.293 176.094 0.028 0.000 1.248 404 V CA 0.187 62.499 62.300 0.021 0.000 1.156 404 V CB -0.751 31.064 31.823 -0.013 0.000 0.870 404 V HN 0.264 nan 8.190 nan 0.000 0.453 405 D N 0.334 120.745 120.400 0.017 0.000 2.217 405 D HA 0.655 5.308 4.640 0.022 0.000 0.248 405 D C -0.574 175.693 176.300 -0.055 0.000 1.008 405 D CA 0.073 54.074 54.000 0.001 0.000 0.914 405 D CB 2.078 42.888 40.800 0.016 0.000 1.182 405 D HN 0.314 nan 8.370 nan 0.000 0.451 406 S N 1.706 117.360 115.700 -0.077 0.000 2.535 406 S HA 0.631 5.114 4.470 0.022 0.000 0.272 406 S C -1.846 172.704 174.600 -0.084 0.000 1.149 406 S CA -0.712 57.396 58.200 -0.153 0.000 0.888 406 S CB 0.375 63.362 63.200 -0.355 0.000 1.110 406 S HN 0.396 nan 8.310 nan 0.000 0.463 407 L N 3.665 124.841 121.223 -0.077 0.000 2.370 407 L HA 0.622 4.976 4.340 0.022 0.000 0.266 407 L C -2.402 174.445 176.870 -0.038 0.000 1.002 407 L CA -2.334 52.481 54.840 -0.042 0.000 0.818 407 L CB 2.351 44.392 42.059 -0.030 0.000 1.325 407 L HN 0.466 nan 8.230 nan 0.000 0.418 408 P HA 0.245 nan 4.420 nan 0.000 0.276 408 P C -0.787 176.506 177.300 -0.012 0.000 1.230 408 P CA -0.287 62.812 63.100 -0.003 0.000 0.776 408 P CB 0.990 32.697 31.700 0.011 0.000 0.888 409 T N -2.205 112.341 114.554 -0.013 0.000 2.831 409 T HA 0.495 4.858 4.350 0.022 0.000 0.287 409 T C 0.143 174.835 174.700 -0.014 0.000 1.070 409 T CA -0.708 61.378 62.100 -0.023 0.000 1.010 409 T CB 0.867 69.711 68.868 -0.039 0.000 1.264 409 T HN 0.298 nan 8.240 nan 0.000 0.532 410 S N 0.008 115.693 115.700 -0.024 0.000 3.559 410 S HA -0.110 4.373 4.470 0.022 0.000 0.369 410 S C 0.897 175.497 174.600 -0.001 0.000 0.987 410 S CA 1.094 59.283 58.200 -0.017 0.000 1.187 410 S CB -2.143 61.051 63.200 -0.009 0.000 0.914 410 S HN 2.596 nan 8.310 nan 0.000 0.480 411 A N 1.051 123.870 122.820 -0.003 0.000 2.610 411 A HA -0.216 4.117 4.320 0.022 0.000 0.299 411 A C 1.077 178.668 177.584 0.011 0.000 1.487 411 A CA 1.635 53.675 52.037 0.005 0.000 0.743 411 A CB -2.096 16.909 19.000 0.008 0.000 1.070 411 A HN 1.823 nan 8.150 nan 0.000 0.439 412 N N -2.663 116.045 118.700 0.012 0.000 2.909 412 N HA -0.222 4.531 4.740 0.022 0.000 0.242 412 N C 0.764 176.289 175.510 0.026 0.000 0.975 412 N CA 1.678 54.740 53.050 0.019 0.000 0.921 412 N CB -0.719 37.779 38.487 0.018 0.000 1.112 412 N HN 0.821 nan 8.380 nan 0.000 0.581 413 Q N 0.661 120.477 119.800 0.026 0.000 2.297 413 Q HA 0.146 4.499 4.340 0.022 0.000 0.203 413 Q C 0.266 176.294 176.000 0.046 0.000 0.931 413 Q CA 0.905 56.729 55.803 0.035 0.000 0.885 413 Q CB 0.257 29.018 28.738 0.037 0.000 0.991 413 Q HN 0.511 nan 8.270 nan 0.000 0.498 414 E N 2.400 122.623 120.200 0.038 0.000 2.490 414 E HA 0.042 4.405 4.350 0.022 0.000 0.232 414 E C -0.365 176.264 176.600 0.048 0.000 1.091 414 E CA -0.120 56.308 56.400 0.047 0.000 1.050 414 E CB 0.343 30.056 29.700 0.021 0.000 1.342 414 E HN 0.216 nan 8.360 nan 0.000 0.454 415 D N 0.050 120.496 120.400 0.077 0.000 2.355 415 D HA -0.107 4.546 4.640 0.022 0.000 0.218 415 D C 0.330 176.715 176.300 0.141 0.000 1.004 415 D CA 0.503 54.552 54.000 0.082 0.000 0.880 415 D CB 0.203 41.048 40.800 0.075 0.000 0.911 415 D HN 0.290 nan 8.370 nan 0.000 0.528 416 H N -0.047 119.061 119.070 0.063 0.000 2.966 416 H HA 0.446 5.015 4.556 0.022 0.000 0.347 416 H C -1.253 174.145 175.328 0.115 0.000 1.048 416 H CA -0.728 55.379 56.048 0.100 0.000 1.295 416 H CB 2.129 31.968 29.762 0.128 0.000 1.744 416 H HN -0.080 nan 8.280 nan 0.000 0.513 417 V N 2.098 121.824 119.914 -0.313 0.000 3.158 417 V HA 0.521 4.654 4.120 0.022 0.000 0.311 417 V C 0.785 176.661 176.094 -0.364 0.000 1.181 417 V CA -0.046 62.044 62.300 -0.351 0.000 1.054 417 V CB 1.527 33.204 31.823 -0.243 0.000 1.085 417 V HN 0.761 nan 8.190 nan 0.000 0.446 418 S N -0.092 115.404 115.700 -0.339 0.000 2.483 418 S HA 0.103 4.586 4.470 0.022 0.000 0.221 418 S C 1.127 175.692 174.600 -0.059 0.000 1.030 418 S CA 0.744 58.895 58.200 -0.083 0.000 0.925 418 S CB -0.310 62.877 63.200 -0.022 0.000 0.795 418 S HN 1.207 nan 8.310 nan 0.000 0.511 419 M N 0.347 119.893 119.600 -0.089 0.000 2.576 419 M HA -0.204 4.289 4.480 0.022 0.000 0.200 419 M C 1.164 177.435 176.300 -0.049 0.000 0.487 419 M CA 0.759 56.030 55.300 -0.049 0.000 0.553 419 M CB -2.757 29.853 32.600 0.017 0.000 2.042 419 M HN 0.603 nan 8.290 nan 0.000 0.758 420 A N -0.540 122.243 122.820 -0.062 0.000 1.930 420 A HA -0.018 4.315 4.320 0.022 0.000 0.217 420 A C -0.228 177.303 177.584 -0.088 0.000 1.175 420 A CA 1.782 53.783 52.037 -0.060 0.000 0.627 420 A CB -1.061 17.908 19.000 -0.052 0.000 0.815 420 A HN 0.448 nan 8.150 nan 0.000 0.443 421 P HA -0.130 nan 4.420 nan 0.000 0.215 421 P C 1.757 179.024 177.300 -0.056 0.000 1.153 421 P CA 1.967 65.032 63.100 -0.059 0.000 0.853 421 P CB -0.105 31.541 31.700 -0.090 0.000 0.788 422 A N 0.020 122.722 122.820 -0.196 0.000 1.902 422 A HA -0.113 4.220 4.320 0.022 0.000 0.217 422 A C 2.336 179.533 177.584 -0.644 0.000 1.181 422 A CA 2.100 53.867 52.037 -0.451 0.000 0.623 422 A CB -1.649 17.012 19.000 -0.565 0.000 0.818 422 A HN 0.180 nan 8.150 nan 0.000 0.443 423 A N -0.391 122.161 122.820 -0.446 0.000 1.892 423 A HA 0.026 4.359 4.320 0.022 0.000 0.218 423 A C 2.440 179.909 177.584 -0.193 0.000 1.188 423 A CA 2.217 54.117 52.037 -0.227 0.000 0.631 423 A CB -1.477 17.498 19.000 -0.041 0.000 0.822 423 A HN 0.757 nan 8.150 nan 0.000 0.447 424 G N 0.241 108.950 108.800 -0.153 0.000 2.404 424 G HA2 -0.249 3.724 3.960 0.022 0.000 0.215 424 G HA3 -0.249 3.724 3.960 0.022 0.000 0.215 424 G C 1.613 176.232 174.900 -0.469 0.000 1.174 424 G CA 1.215 46.241 45.100 -0.124 0.000 0.780 424 G HN 0.750 nan 8.290 nan 0.000 0.537 425 K N 1.086 121.043 120.400 -0.737 0.000 2.288 425 K HA -0.036 4.297 4.320 0.022 0.000 0.201 425 K C 2.325 178.227 176.600 -1.164 0.000 1.048 425 K CA 1.049 56.275 56.287 -1.769 0.000 0.956 425 K CB -0.131 31.420 32.500 -1.581 0.000 0.746 425 K HN 0.308 nan 8.250 nan 0.000 0.461 426 R N 1.401 121.551 120.500 -0.584 0.000 2.189 426 R HA 0.016 4.369 4.340 0.022 0.000 0.223 426 R C 1.958 178.146 176.300 -0.187 0.000 1.092 426 R CA 1.034 56.958 56.100 -0.294 0.000 0.989 426 R CB -1.080 29.150 30.300 -0.117 0.000 0.876 426 R HN 0.201 nan 8.270 nan 0.000 0.457 427 L N -0.546 120.539 121.223 -0.229 0.000 2.191 427 L HA -0.081 4.272 4.340 0.022 0.000 0.212 427 L C 1.746 178.748 176.870 0.220 0.000 1.103 427 L CA 0.814 55.656 54.840 0.003 0.000 0.769 427 L CB -0.502 41.583 42.059 0.043 0.000 0.908 427 L HN 0.260 nan 8.230 nan 0.000 0.438 428 W N 0.413 121.778 121.300 0.108 0.000 2.418 428 W HA -0.117 4.563 4.660 0.033 0.000 0.292 428 W C 2.486 179.060 176.519 0.091 0.000 1.213 428 W CA 0.856 58.324 57.345 0.206 0.000 1.283 428 W CB -0.878 28.692 29.460 0.184 0.000 1.119 428 W HN 0.309 nan 8.180 nan 0.000 0.542 429 E N 0.349 120.682 120.200 0.221 0.000 2.072 429 E HA -0.152 4.211 4.350 0.022 0.000 0.190 429 E C 2.170 178.824 176.600 0.090 0.000 0.982 429 E CA 1.226 57.699 56.400 0.122 0.000 0.803 429 E CB -0.344 29.396 29.700 0.068 0.000 0.755 429 E HN 0.060 nan 8.360 nan 0.000 0.453 430 M N 0.484 120.136 119.600 0.086 0.000 2.106 430 M HA -0.194 4.299 4.480 0.022 0.000 0.259 430 M C 2.441 178.790 176.300 0.083 0.000 1.068 430 M CA 1.696 57.042 55.300 0.077 0.000 1.100 430 M CB -0.267 32.377 32.600 0.075 0.000 1.351 430 M HN 0.274 nan 8.290 nan 0.000 0.404 431 A N 0.167 123.057 122.820 0.117 0.000 1.930 431 A HA -0.145 4.188 4.320 0.022 0.000 0.217 431 A C 1.880 179.461 177.584 -0.005 0.000 1.175 431 A CA 1.499 53.582 52.037 0.076 0.000 0.627 431 A CB -0.591 18.491 19.000 0.137 0.000 0.815 431 A HN 0.540 nan 8.150 nan 0.000 0.443 432 E N 0.149 120.347 120.200 -0.003 0.000 2.110 432 E HA -0.180 4.183 4.350 0.022 0.000 0.193 432 E C 1.655 178.261 176.600 0.010 0.000 0.988 432 E CA 1.085 57.474 56.400 -0.019 0.000 0.804 432 E CB -0.192 29.510 29.700 0.004 0.000 0.745 432 E HN 0.537 nan 8.360 nan 0.000 0.458 433 N N 0.285 119.002 118.700 0.029 0.000 2.106 433 N HA -0.101 4.653 4.740 0.022 0.000 0.188 433 N C 1.891 177.422 175.510 0.035 0.000 1.029 433 N CA 1.433 54.503 53.050 0.033 0.000 0.848 433 N CB -0.641 37.869 38.487 0.039 0.000 1.007 433 N HN 0.063 nan 8.380 nan 0.000 0.423 434 T N 0.938 115.515 114.554 0.039 0.000 2.867 434 T HA -0.070 4.293 4.350 0.022 0.000 0.268 434 T C 1.951 176.672 174.700 0.035 0.000 1.057 434 T CA 0.712 62.837 62.100 0.042 0.000 1.136 434 T CB 0.097 68.996 68.868 0.051 0.000 0.874 434 T HN 0.242 nan 8.240 nan 0.000 0.466 435 R N 0.378 120.890 120.500 0.019 0.000 2.081 435 R HA -0.078 4.275 4.340 0.022 0.000 0.235 435 R C 2.700 179.026 176.300 0.042 0.000 1.131 435 R CA 1.552 57.660 56.100 0.014 0.000 0.960 435 R CB -0.626 29.660 30.300 -0.023 0.000 0.856 435 R HN 0.441 nan 8.270 nan 0.000 0.436 436 G N -0.154 108.670 108.800 0.039 0.000 2.418 436 G HA2 -0.206 3.767 3.960 0.022 0.000 0.217 436 G HA3 -0.206 3.767 3.960 0.022 0.000 0.217 436 G C 1.403 176.345 174.900 0.070 0.000 1.158 436 G CA 0.832 45.964 45.100 0.053 0.000 0.771 436 G HN 0.211 nan 8.290 nan 0.000 0.545 437 V N 1.003 120.953 119.914 0.061 0.000 2.287 437 V HA -0.169 3.964 4.120 0.022 0.000 0.248 437 V C 2.926 179.075 176.094 0.092 0.000 1.053 437 V CA 1.641 63.983 62.300 0.069 0.000 1.027 437 V CB -0.488 31.369 31.823 0.058 0.000 0.646 437 V HN 0.347 nan 8.190 nan 0.000 0.447 438 L N -0.090 121.182 121.223 0.083 0.000 2.083 438 L HA -0.143 4.210 4.340 0.022 0.000 0.209 438 L C 2.727 179.702 176.870 0.176 0.000 1.083 438 L CA 1.405 56.300 54.840 0.091 0.000 0.752 438 L CB -0.799 41.278 42.059 0.030 0.000 0.899 438 L HN 0.371 nan 8.230 nan 0.000 0.433 439 A N 0.397 123.333 122.820 0.194 0.000 1.908 439 A HA -0.203 4.130 4.320 0.022 0.000 0.218 439 A C 2.186 179.946 177.584 0.294 0.000 1.181 439 A CA 1.675 53.894 52.037 0.303 0.000 0.627 439 A CB -0.639 18.491 19.000 0.218 0.000 0.818 439 A HN 0.375 nan 8.150 nan 0.000 0.445 440 I N -0.865 119.836 120.570 0.217 0.000 2.353 440 I HA -0.205 3.978 4.170 0.022 0.000 0.248 440 I C 2.508 178.783 176.117 0.263 0.000 1.119 440 I CA 1.527 62.967 61.300 0.234 0.000 1.417 440 I CB -0.243 37.853 38.000 0.160 0.000 1.078 440 I HN 0.514 nan 8.210 nan 0.000 0.421 441 E N 0.522 120.852 120.200 0.217 0.000 2.077 441 E HA -0.286 4.077 4.350 0.022 0.000 0.193 441 E C 2.131 178.889 176.600 0.264 0.000 0.989 441 E CA 1.372 57.887 56.400 0.191 0.000 0.800 441 E CB -0.172 29.612 29.700 0.139 0.000 0.746 441 E HN 0.494 nan 8.360 nan 0.000 0.452 442 W N 1.464 122.808 121.300 0.074 0.000 2.333 442 W HA -0.194 4.478 4.660 0.021 0.000 0.316 442 W C 1.916 178.489 176.519 0.090 0.000 1.215 442 W CA 1.389 58.772 57.345 0.064 0.000 1.278 442 W CB -0.870 28.622 29.460 0.054 0.000 1.154 442 W HN 0.117 nan 8.180 nan 0.000 0.486 443 L N 0.052 121.416 121.223 0.235 0.000 2.042 443 L HA -0.133 4.220 4.340 0.022 0.000 0.210 443 L C 2.690 179.683 176.870 0.204 0.000 1.076 443 L CA 1.740 56.683 54.840 0.171 0.000 0.749 443 L CB -1.423 40.825 42.059 0.314 0.000 0.893 443 L HN 0.127 nan 8.230 nan 0.000 0.432 444 G N -1.005 107.892 108.800 0.162 0.000 2.394 444 G HA2 -0.136 3.837 3.960 0.022 0.000 0.215 444 G HA3 -0.136 3.837 3.960 0.022 0.000 0.215 444 G C 1.744 176.538 174.900 -0.177 0.000 1.165 444 G CA 0.634 45.577 45.100 -0.262 0.000 0.784 444 G HN 0.443 nan 8.290 nan 0.000 0.535 445 A N -0.005 122.820 122.820 0.007 0.000 1.930 445 A HA -0.013 4.320 4.320 0.022 0.000 0.217 445 A C 2.500 180.111 177.584 0.046 0.000 1.175 445 A CA 1.656 53.714 52.037 0.035 0.000 0.627 445 A CB -0.827 18.236 19.000 0.105 0.000 0.815 445 A HN 0.410 nan 8.150 nan 0.000 0.443 446 C N -1.162 118.179 119.300 0.068 0.000 2.435 446 C HA -0.040 4.433 4.460 0.022 0.000 0.279 446 C C 2.779 177.800 174.990 0.051 0.000 1.321 446 C CA 1.201 60.255 59.018 0.059 0.000 1.752 446 C CB -1.020 26.730 27.740 0.017 0.000 1.959 446 C HN 0.785 nan 8.230 nan 0.000 0.500 447 Q N 1.717 121.512 119.800 -0.007 0.000 2.050 447 Q HA -0.051 4.302 4.340 0.022 0.000 0.202 447 Q C 2.218 178.225 176.000 0.011 0.000 0.980 447 Q CA 2.432 58.221 55.803 -0.024 0.000 0.840 447 Q CB -0.765 27.834 28.738 -0.232 0.000 0.898 447 Q HN 0.537 nan 8.270 nan 0.000 0.424 448 G N 0.362 109.121 108.800 -0.068 0.000 2.408 448 G HA2 -0.189 3.784 3.960 0.022 0.000 0.217 448 G HA3 -0.189 3.784 3.960 0.022 0.000 0.217 448 G C 1.367 176.281 174.900 0.024 0.000 1.150 448 G CA 0.844 45.923 45.100 -0.035 0.000 0.776 448 G HN 0.374 nan 8.290 nan 0.000 0.542 449 L N 0.283 121.529 121.223 0.038 0.000 2.093 449 L HA -0.040 4.314 4.340 0.022 0.000 0.208 449 L C 2.502 179.407 176.870 0.058 0.000 1.085 449 L CA 0.902 55.772 54.840 0.051 0.000 0.755 449 L CB -0.330 41.764 42.059 0.058 0.000 0.904 449 L HN 0.075 nan 8.230 nan 0.000 0.435 450 D N 0.342 120.797 120.400 0.092 0.000 2.133 450 D HA -0.201 4.453 4.640 0.022 0.000 0.195 450 D C 2.249 178.576 176.300 0.046 0.000 0.997 450 D CA 1.322 55.377 54.000 0.091 0.000 0.840 450 D CB -0.225 40.742 40.800 0.279 0.000 0.947 450 D HN 0.255 nan 8.370 nan 0.000 0.452 451 L N 0.054 121.338 121.223 0.102 0.000 2.362 451 L HA -0.047 4.306 4.340 0.022 0.000 0.219 451 L C 0.767 177.657 176.870 0.033 0.000 1.134 451 L CA 0.647 55.532 54.840 0.075 0.000 0.807 451 L CB -0.192 41.922 42.059 0.091 0.000 0.927 451 L HN -0.133 nan 8.230 nan 0.000 0.447 452 R N 1.929 122.447 120.500 0.031 0.000 2.870 452 R HA 0.147 4.500 4.340 0.022 0.000 0.254 452 R C -0.358 175.949 176.300 0.012 0.000 1.392 452 R CA -0.383 55.732 56.100 0.024 0.000 1.322 452 R CB 0.026 30.346 30.300 0.034 0.000 1.205 452 R HN 0.061 nan 8.270 nan 0.000 0.597 453 K N 1.161 121.562 120.400 0.001 0.000 2.437 453 K HA -0.050 4.283 4.320 0.022 0.000 0.277 453 K C 1.222 177.817 176.600 -0.008 0.000 1.073 453 K CA 0.915 57.193 56.287 -0.014 0.000 1.105 453 K CB 0.393 32.883 32.500 -0.017 0.000 0.881 453 K HN 0.880 nan 8.250 nan 0.000 0.475 454 G N 2.290 111.082 108.800 -0.013 0.000 2.212 454 G HA2 -0.290 3.683 3.960 0.022 0.000 0.266 454 G HA3 -0.290 3.683 3.960 0.022 0.000 0.266 454 G C 0.207 175.108 174.900 0.001 0.000 0.978 454 G CA 0.004 45.099 45.100 -0.008 0.000 0.632 454 G HN 0.489 nan 8.290 nan 0.000 0.537 455 L N 0.252 121.479 121.223 0.007 0.000 2.371 455 L HA 0.495 4.848 4.340 0.022 0.000 0.272 455 L C 0.705 177.586 176.870 0.017 0.000 1.124 455 L CA -0.254 54.593 54.840 0.013 0.000 0.816 455 L CB 1.064 43.135 42.059 0.021 0.000 1.129 455 L HN 0.036 nan 8.230 nan 0.000 0.448 456 K N 1.004 121.413 120.400 0.015 0.000 2.203 456 K HA 0.399 4.732 4.320 0.022 0.000 0.251 456 K C -0.088 176.525 176.600 0.021 0.000 0.944 456 K CA -0.534 55.764 56.287 0.019 0.000 0.829 456 K CB 2.324 34.833 32.500 0.014 0.000 1.125 456 K HN 0.558 nan 8.250 nan 0.000 0.430 457 T N -0.125 114.446 114.554 0.029 0.000 2.973 457 T HA 0.165 4.528 4.350 0.022 0.000 0.308 457 T C 0.520 175.232 174.700 0.020 0.000 1.177 457 T CA -0.391 61.727 62.100 0.029 0.000 0.938 457 T CB 0.404 69.297 68.868 0.042 0.000 1.791 457 T HN 0.689 nan 8.240 nan 0.000 0.581 458 S N 0.114 115.824 115.700 0.017 0.000 2.617 458 S HA 0.490 4.973 4.470 0.022 0.000 0.259 458 S C 1.683 176.288 174.600 0.009 0.000 1.301 458 S CA -0.165 58.040 58.200 0.008 0.000 0.984 458 S CB 0.173 63.373 63.200 0.001 0.000 0.954 458 S HN 0.929 nan 8.310 nan 0.000 0.572 459 A N 1.161 123.983 122.820 0.003 0.000 1.865 459 A HA -0.085 4.248 4.320 0.022 0.000 0.217 459 A C 2.233 179.819 177.584 0.004 0.000 1.191 459 A CA 1.634 53.674 52.037 0.004 0.000 0.623 459 A CB -0.915 18.085 19.000 0.000 0.000 0.826 459 A HN 0.882 nan 8.150 nan 0.000 0.444 460 K N -0.646 119.751 120.400 -0.006 0.000 2.155 460 K HA 0.109 4.443 4.320 0.022 0.000 0.203 460 K C 1.819 178.417 176.600 -0.003 0.000 1.052 460 K CA 0.947 57.227 56.287 -0.013 0.000 0.948 460 K CB -0.245 32.234 32.500 -0.035 0.000 0.728 460 K HN 0.457 nan 8.250 nan 0.000 0.448 461 L N 0.871 122.096 121.223 0.002 0.000 2.156 461 L HA -0.103 4.250 4.340 0.022 0.000 0.208 461 L C 2.182 179.086 176.870 0.056 0.000 1.095 461 L CA 0.717 55.571 54.840 0.024 0.000 0.770 461 L CB -0.222 41.851 42.059 0.023 0.000 0.914 461 L HN 0.123 nan 8.230 nan 0.000 0.439 462 E N 0.842 121.068 120.200 0.043 0.000 2.153 462 E HA -0.186 4.177 4.350 0.022 0.000 0.194 462 E C 2.057 178.694 176.600 0.063 0.000 0.988 462 E CA 1.033 57.464 56.400 0.051 0.000 0.811 462 E CB -0.008 29.713 29.700 0.034 0.000 0.746 462 E HN 0.502 nan 8.360 nan 0.000 0.466 463 K N 0.421 120.852 120.400 0.052 0.000 2.148 463 K HA -0.020 4.313 4.320 0.022 0.000 0.204 463 K C 2.125 178.791 176.600 0.110 0.000 1.050 463 K CA 0.994 57.318 56.287 0.062 0.000 0.942 463 K CB -0.051 32.471 32.500 0.037 0.000 0.724 463 K HN 0.010 nan 8.250 nan 0.000 0.446 464 A N 1.851 124.747 122.820 0.127 0.000 1.930 464 A HA -0.138 4.195 4.320 0.022 0.000 0.217 464 A C 2.079 179.904 177.584 0.402 0.000 1.175 464 A CA 1.068 53.252 52.037 0.245 0.000 0.627 464 A CB -0.288 18.794 19.000 0.136 0.000 0.815 464 A HN 0.190 nan 8.150 nan 0.000 0.443 465 R N -0.504 120.141 120.500 0.241 0.000 2.066 465 R HA -0.133 4.220 4.340 0.022 0.000 0.232 465 R C 2.422 178.782 176.300 0.100 0.000 1.131 465 R CA 1.699 57.899 56.100 0.167 0.000 0.955 465 R CB -0.357 30.006 30.300 0.105 0.000 0.851 465 R HN 0.674 nan 8.270 nan 0.000 0.432 466 Q N 0.129 119.985 119.800 0.093 0.000 2.167 466 Q HA -0.072 4.281 4.340 0.022 0.000 0.202 466 Q C 2.182 178.221 176.000 0.066 0.000 0.970 466 Q CA 1.278 57.116 55.803 0.058 0.000 0.855 466 Q CB -0.109 28.659 28.738 0.049 0.000 0.911 466 Q HN 0.351 nan 8.270 nan 0.000 0.438 467 A N 1.283 124.188 122.820 0.141 0.000 1.883 467 A HA -0.193 4.140 4.320 0.022 0.000 0.217 467 A C 2.024 179.647 177.584 0.065 0.000 1.186 467 A CA 1.089 53.232 52.037 0.177 0.000 0.624 467 A CB -0.753 18.452 19.000 0.342 0.000 0.822 467 A HN 0.374 nan 8.150 nan 0.000 0.444 468 L N -1.245 119.932 121.223 -0.077 0.000 2.005 468 L HA -0.125 4.228 4.340 0.022 0.000 0.207 468 L C 2.620 179.329 176.870 -0.269 0.000 1.072 468 L CA 1.301 55.840 54.840 -0.502 0.000 0.744 468 L CB -0.398 41.081 42.059 -0.967 0.000 0.895 468 L HN 0.307 nan 8.230 nan 0.000 0.433 469 R N -0.022 120.390 120.500 -0.148 0.000 2.241 469 R HA -0.093 4.260 4.340 0.022 0.000 0.224 469 R C 2.247 178.508 176.300 -0.064 0.000 1.101 469 R CA 1.253 57.301 56.100 -0.086 0.000 0.995 469 R CB -0.617 29.664 30.300 -0.032 0.000 0.870 469 R HN 0.550 nan 8.270 nan 0.000 0.463 470 S N -0.094 115.573 115.700 -0.054 0.000 2.522 470 S HA 0.013 4.496 4.470 0.022 0.000 0.227 470 S C 1.257 175.826 174.600 -0.051 0.000 0.986 470 S CA 0.466 58.644 58.200 -0.036 0.000 0.929 470 S CB 0.227 63.420 63.200 -0.013 0.000 0.769 470 S HN 0.216 nan 8.310 nan 0.000 0.529 471 E N 0.360 120.509 120.200 -0.085 0.000 2.364 471 E HA 0.311 4.674 4.350 0.022 0.000 0.203 471 E C -0.297 176.235 176.600 -0.114 0.000 0.888 471 E CA 0.281 56.626 56.400 -0.092 0.000 0.989 471 E CB 0.910 30.551 29.700 -0.098 0.000 0.985 471 E HN 0.336 nan 8.360 nan 0.000 0.499 472 V N 1.645 121.473 119.914 -0.144 0.000 2.531 472 V HA 0.552 4.685 4.120 0.022 0.000 0.301 472 V C -0.228 175.804 176.094 -0.103 0.000 1.034 472 V CA -0.960 61.252 62.300 -0.146 0.000 0.865 472 V CB 1.599 33.302 31.823 -0.200 0.000 0.995 472 V HN 0.168 nan 8.190 nan 0.000 0.424 473 A N 2.680 125.455 122.820 -0.075 0.000 2.304 473 A HA 0.562 4.895 4.320 0.022 0.000 0.271 473 A C 0.039 177.637 177.584 0.023 0.000 1.091 473 A CA -0.230 51.795 52.037 -0.020 0.000 0.812 473 A CB -0.018 18.968 19.000 -0.024 0.000 1.056 473 A HN 1.079 nan 8.150 nan 0.000 0.489 474 H N -0.515 118.552 119.070 -0.005 0.000 3.073 474 H HA -0.018 4.551 4.556 0.022 0.000 0.340 474 H C -0.840 174.541 175.328 0.088 0.000 1.054 474 H CA 1.334 57.412 56.048 0.051 0.000 1.372 474 H CB 0.009 29.792 29.762 0.034 0.000 1.314 474 H HN 0.532 nan 8.280 nan 0.000 0.603 475 Y N 4.814 124.754 120.300 -0.600 0.000 2.535 475 Y HA 0.087 4.651 4.550 0.023 0.000 0.349 475 Y C 0.324 176.099 175.900 -0.209 0.000 0.992 475 Y CA -0.367 57.556 58.100 -0.294 0.000 1.248 475 Y CB 0.266 38.674 38.460 -0.086 0.000 1.124 475 Y HN 0.845 nan 8.280 nan 0.000 0.520 476 D N 3.035 123.348 120.400 -0.145 0.000 2.162 476 D HA -0.015 4.638 4.640 0.022 0.000 0.205 476 D C 0.308 176.589 176.300 -0.033 0.000 0.964 476 D CA 0.773 54.794 54.000 0.037 0.000 0.847 476 D CB 0.191 41.008 40.800 0.029 0.000 0.988 476 D HN 0.368 nan 8.370 nan 0.000 0.480 477 R N -0.152 120.207 120.500 -0.236 0.000 2.728 477 R HA 0.263 4.616 4.340 0.022 0.000 0.274 477 R C -1.728 174.341 176.300 -0.384 0.000 1.030 477 R CA -0.684 55.318 56.100 -0.164 0.000 0.876 477 R CB -0.147 30.112 30.300 -0.069 0.000 1.259 477 R HN -0.260 nan 8.270 nan 0.000 0.468 478 D N 1.547 121.884 120.400 -0.105 0.000 2.525 478 D HA 0.170 4.823 4.640 0.022 0.000 0.235 478 D C 0.325 176.552 176.300 -0.123 0.000 1.137 478 D CA 0.847 54.842 54.000 -0.009 0.000 0.868 478 D CB 0.531 41.406 40.800 0.125 0.000 1.180 478 D HN 0.491 nan 8.370 nan 0.000 0.465 479 R N 0.614 121.069 120.500 -0.074 0.000 2.752 479 R HA 0.422 4.775 4.340 0.022 0.000 0.271 479 R C -0.751 175.648 176.300 0.164 0.000 1.026 479 R CA -0.995 55.086 56.100 -0.032 0.000 0.901 479 R CB 0.382 30.573 30.300 -0.182 0.000 1.243 479 R HN 0.113 nan 8.270 nan 0.000 0.463 480 F N 2.249 122.190 119.950 -0.014 0.000 2.571 480 F HA 0.109 4.649 4.527 0.021 0.000 0.390 480 F C 0.183 176.007 175.800 0.041 0.000 1.043 480 F CA -1.028 56.989 58.000 0.028 0.000 1.164 480 F CB -0.008 38.993 39.000 0.001 0.000 1.049 480 F HN 0.640 nan 8.300 nan 0.000 0.552 481 F N 5.119 125.202 119.950 0.221 0.000 2.179 481 F HA 0.044 4.585 4.527 0.023 0.000 0.292 481 F C 2.205 177.869 175.800 -0.225 0.000 1.089 481 F CA 1.696 59.681 58.000 -0.025 0.000 1.295 481 F CB -0.597 38.372 39.000 -0.052 0.000 1.041 481 F HN 0.561 nan 8.300 nan 0.000 0.487 482 A N 0.800 123.615 122.820 -0.008 0.000 1.927 482 A HA -0.197 4.136 4.320 0.022 0.000 0.220 482 A C -0.297 177.093 177.584 -0.322 0.000 1.185 482 A CA 2.139 54.098 52.037 -0.130 0.000 0.639 482 A CB -2.205 16.760 19.000 -0.058 0.000 0.820 482 A HN 0.313 nan 8.150 nan 0.000 0.451 483 P HA -0.123 nan 4.420 nan 0.000 0.218 483 P C 0.424 177.568 177.300 -0.261 0.000 1.148 483 P CA 1.470 64.316 63.100 -0.422 0.000 0.822 483 P CB -0.100 31.299 31.700 -0.502 0.000 0.784 484 D N -0.747 119.489 120.400 -0.274 0.000 2.097 484 D HA -0.091 4.562 4.640 0.022 0.000 0.197 484 D C 1.995 178.221 176.300 -0.123 0.000 0.984 484 D CA 0.985 54.845 54.000 -0.233 0.000 0.826 484 D CB -0.719 39.850 40.800 -0.385 0.000 0.973 484 D HN 0.202 nan 8.370 nan 0.000 0.460 485 I N 1.128 121.675 120.570 -0.038 0.000 2.286 485 I HA -0.214 3.969 4.170 0.022 0.000 0.248 485 I C 2.214 178.333 176.117 0.004 0.000 1.115 485 I CA 1.037 62.359 61.300 0.036 0.000 1.392 485 I CB -0.288 37.763 38.000 0.086 0.000 1.065 485 I HN 0.002 nan 8.210 nan 0.000 0.418 486 E N 1.109 121.286 120.200 -0.039 0.000 2.058 486 E HA -0.254 4.110 4.350 0.022 0.000 0.194 486 E C 2.181 178.764 176.600 -0.028 0.000 0.997 486 E CA 1.308 57.687 56.400 -0.036 0.000 0.801 486 E CB -0.052 29.607 29.700 -0.068 0.000 0.746 486 E HN 0.438 nan 8.360 nan 0.000 0.450 487 K N 0.543 120.908 120.400 -0.058 0.000 2.002 487 K HA -0.134 4.199 4.320 0.022 0.000 0.209 487 K C 2.193 178.780 176.600 -0.020 0.000 1.048 487 K CA 1.225 57.478 56.287 -0.056 0.000 0.930 487 K CB -0.203 32.237 32.500 -0.100 0.000 0.714 487 K HN 0.054 nan 8.250 nan 0.000 0.438 488 A N 0.768 123.571 122.820 -0.029 0.000 1.908 488 A HA -0.160 4.173 4.320 0.022 0.000 0.218 488 A C 2.338 180.047 177.584 0.207 0.000 1.181 488 A CA 1.674 53.740 52.037 0.048 0.000 0.627 488 A CB -0.757 18.265 19.000 0.038 0.000 0.818 488 A HN 0.111 nan 8.150 nan 0.000 0.445 489 V N -0.173 119.813 119.914 0.119 0.000 2.358 489 V HA -0.231 3.902 4.120 0.022 0.000 0.246 489 V C 2.597 178.740 176.094 0.082 0.000 1.047 489 V CA 2.439 64.800 62.300 0.101 0.000 1.035 489 V CB -0.612 31.242 31.823 0.052 0.000 0.658 489 V HN 0.754 nan 8.190 nan 0.000 0.452 490 E N 0.360 120.597 120.200 0.061 0.000 2.072 490 E HA -0.179 4.185 4.350 0.022 0.000 0.191 490 E C 2.083 178.730 176.600 0.078 0.000 0.985 490 E CA 1.386 57.812 56.400 0.044 0.000 0.801 490 E CB -0.377 29.335 29.700 0.020 0.000 0.750 490 E HN 0.520 nan 8.360 nan 0.000 0.452 491 L N 0.071 121.375 121.223 0.134 0.000 1.990 491 L HA -0.257 4.096 4.340 0.022 0.000 0.213 491 L C 2.590 179.574 176.870 0.191 0.000 1.072 491 L CA 1.484 56.453 54.840 0.216 0.000 0.755 491 L CB -0.590 41.710 42.059 0.401 0.000 0.889 491 L HN 0.269 nan 8.230 nan 0.000 0.432 492 L N -0.619 120.724 121.223 0.201 0.000 2.046 492 L HA -0.205 4.148 4.340 0.022 0.000 0.208 492 L C 2.820 179.699 176.870 0.015 0.000 1.077 492 L CA 1.204 56.070 54.840 0.043 0.000 0.747 492 L CB -0.768 41.307 42.059 0.026 0.000 0.896 492 L HN 0.266 nan 8.230 nan 0.000 0.432 493 A N -0.068 122.765 122.820 0.021 0.000 2.019 493 A HA -0.183 4.150 4.320 0.022 0.000 0.219 493 A C 2.123 179.713 177.584 0.010 0.000 1.164 493 A CA 1.394 53.426 52.037 -0.008 0.000 0.644 493 A CB -0.314 18.671 19.000 -0.025 0.000 0.805 493 A HN 0.349 nan 8.150 nan 0.000 0.449 494 K N -1.211 119.204 120.400 0.025 0.000 2.444 494 K HA 0.236 4.569 4.320 0.022 0.000 0.193 494 K C 0.905 177.515 176.600 0.018 0.000 1.024 494 K CA 0.416 56.717 56.287 0.022 0.000 1.077 494 K CB -0.069 32.449 32.500 0.030 0.000 0.833 494 K HN 0.614 nan 8.250 nan 0.000 0.517 495 G N 1.610 110.416 108.800 0.010 0.000 2.147 495 G HA2 -0.309 3.664 3.960 0.022 0.000 0.244 495 G HA3 -0.309 3.664 3.960 0.022 0.000 0.244 495 G C 0.814 175.703 174.900 -0.019 0.000 1.005 495 G CA 0.620 45.716 45.100 -0.007 0.000 0.713 495 G HN 0.347 nan 8.290 nan 0.000 0.515 496 S N -1.003 114.693 115.700 -0.006 0.000 2.400 496 S HA 0.025 4.509 4.470 0.022 0.000 0.232 496 S C 2.190 176.757 174.600 -0.054 0.000 1.025 496 S CA 1.662 59.871 58.200 0.015 0.000 0.993 496 S CB -0.158 63.120 63.200 0.130 0.000 0.808 496 S HN 0.663 nan 8.310 nan 0.000 0.478 497 L N 0.323 121.450 121.223 -0.160 0.000 2.590 497 L HA 0.142 4.495 4.340 0.022 0.000 0.227 497 L C 2.319 179.102 176.870 -0.144 0.000 1.099 497 L CA 0.437 55.152 54.840 -0.208 0.000 0.872 497 L CB -0.540 41.274 42.059 -0.408 0.000 1.088 497 L HN 0.261 nan 8.230 nan 0.000 0.479 498 T N 0.434 114.929 114.554 -0.099 0.000 2.720 498 T HA -0.168 4.195 4.350 0.022 0.000 0.268 498 T C 1.913 176.581 174.700 -0.053 0.000 1.037 498 T CA 1.675 63.736 62.100 -0.064 0.000 1.144 498 T CB -0.415 68.435 68.868 -0.031 0.000 0.864 498 T HN 0.540 nan 8.240 nan 0.000 0.444 499 G N 0.990 109.762 108.800 -0.046 0.000 2.498 499 G HA2 -0.072 3.901 3.960 0.022 0.000 0.219 499 G HA3 -0.072 3.901 3.960 0.022 0.000 0.219 499 G C 1.375 176.249 174.900 -0.044 0.000 1.119 499 G CA 0.274 45.352 45.100 -0.036 0.000 0.766 499 G HN 0.464 nan 8.290 nan 0.000 0.552 500 L N -0.631 120.554 121.223 -0.063 0.000 2.313 500 L HA 0.207 4.560 4.340 0.022 0.000 0.214 500 L C 1.187 178.010 176.870 -0.078 0.000 1.119 500 L CA -0.408 54.390 54.840 -0.070 0.000 0.809 500 L CB -0.245 41.760 42.059 -0.091 0.000 0.933 500 L HN 0.143 nan 8.230 nan 0.000 0.449 501 L N 0.952 122.127 121.223 -0.079 0.000 2.426 501 L HA 0.223 4.576 4.340 0.022 0.000 0.271 501 L C -1.935 174.909 176.870 -0.044 0.000 1.169 501 L CA -1.314 53.483 54.840 -0.073 0.000 0.836 501 L CB 0.183 42.215 42.059 -0.045 0.000 1.112 501 L HN -0.211 nan 8.230 nan 0.000 0.465 502 P HA 0.166 nan 4.420 nan 0.000 0.269 502 P C -1.160 176.132 177.300 -0.013 0.000 1.215 502 P CA -0.287 62.799 63.100 -0.024 0.000 0.780 502 P CB 0.489 32.176 31.700 -0.021 0.000 0.898 503 A N 1.663 124.477 122.820 -0.011 0.000 2.386 503 A HA 0.494 4.827 4.320 0.022 0.000 0.248 503 A C 1.330 178.910 177.584 -0.007 0.000 1.082 503 A CA 0.328 52.359 52.037 -0.009 0.000 0.789 503 A CB -1.011 17.983 19.000 -0.009 0.000 1.025 503 A HN 0.876 nan 8.150 nan 0.000 0.490 504 G N -0.002 108.793 108.800 -0.008 0.000 2.160 504 G HA2 -0.195 3.779 3.960 0.022 0.000 0.251 504 G HA3 -0.195 3.779 3.960 0.022 0.000 0.251 504 G C 0.551 175.443 174.900 -0.013 0.000 1.008 504 G CA 0.524 45.619 45.100 -0.009 0.000 0.724 504 G HN 1.174 nan 8.290 nan 0.000 0.514 505 V N -0.344 119.561 119.914 -0.015 0.000 2.492 505 V HA 0.321 4.454 4.120 0.022 0.000 0.241 505 V C 1.641 177.692 176.094 -0.073 0.000 1.041 505 V CA 1.225 63.507 62.300 -0.029 0.000 1.057 505 V CB -0.019 31.805 31.823 0.001 0.000 0.711 505 V HN 0.358 nan 8.190 nan 0.000 0.468 506 L N 0.796 121.982 121.223 -0.062 0.000 2.312 506 L HA 0.273 4.626 4.340 0.022 0.000 0.281 506 L C -1.405 175.445 176.870 -0.034 0.000 1.070 506 L CA -1.557 53.237 54.840 -0.077 0.000 0.805 506 L CB 1.247 43.282 42.059 -0.041 0.000 1.174 506 L HN 0.033 nan 8.230 nan 0.000 0.434 507 P HA -0.209 nan 4.420 nan 0.000 0.216 507 P C 1.134 178.449 177.300 0.025 0.000 1.157 507 P CA 1.369 64.469 63.100 0.000 0.000 0.880 507 P CB 0.237 31.942 31.700 0.008 0.000 0.791 508 S N -3.151 112.579 115.700 0.049 0.000 2.557 508 S HA 0.242 4.725 4.470 0.022 0.000 0.223 508 S C 0.408 174.998 174.600 -0.016 0.000 0.969 508 S CA -0.279 57.943 58.200 0.037 0.000 0.927 508 S CB -0.685 62.569 63.200 0.090 0.000 0.806 508 S HN -0.071 nan 8.310 nan 0.000 0.489 509 L N 0.000 121.218 121.223 -0.009 0.000 2.949 509 L HA 0.000 4.353 4.340 0.022 0.000 0.249 509 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 509 L CB 0.000 42.053 42.059 -0.011 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502