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 1wgz_1_B DATA FIRST_RESID 1 DATA SEQUENCE MTPEAAYQNL LEFQRETAYL ASLGALAAWD QRTMIPKKGH EHRARQMAAL DATA SEQUENCE ARLLHQRMTD PRIGEWLEKV EGSPLVQDPL SDAAVNVREW RQAYERARAI DATA SEQUENCE PERLAVELAQ AESEAESFWE EARPRDDWRG FLPYLKRVYA LTKEKAEVLF DATA SEQUENCE ALPPAPGDPP YGELYDALLD GYEPGMRARE LLPLFAELKE GLKGLLDRIL DATA SEQUENCE GSGKRPDTSI LHRPYPVEAQ RRFALELLSA CGYDLEAGRL DPTAHPFEIA DATA SEQUENCE IGPGDVRITT RYYEDFFNAG IFGTLHEMGH ALYEQGLPKE HWGTPRGDAV DATA SEQUENCE SLGVHESQSR TWENLVGRSL GFWERFFPRA REVFASLGDV SLEDFHFAVN DATA SEQUENCE AVEPSLIRVE ADEVTYNLHI LVRLELELAL FRGELSPEDL PEAWAEKYRD DATA SEQUENCE HLGVAPKDYK DGVMQDVHWA GGLFGYFPTY TLGNLYAAQF FQKAEAELGP DATA SEQUENCE LEPRFARGEF QPFLDWTRAR IHAEGSRFRP RVLVERVTGE APSARPFLAY DATA SEQUENCE LEKKYAALYG 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.327 176.300 0.046 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.645 32.600 0.075 0.000 1.302 2 T N 1.507 116.084 114.554 0.039 0.000 2.828 2 T HA 0.522 4.873 4.350 0.001 0.000 0.290 2 T C -1.999 172.731 174.700 0.049 0.000 1.019 2 T CA -1.019 61.102 62.100 0.036 0.000 1.031 2 T CB 0.710 69.594 68.868 0.026 0.000 1.001 2 T HN 0.599 nan 8.240 nan 0.000 0.531 3 P HA -0.023 nan 4.420 nan 0.000 0.221 3 P C 0.924 178.273 177.300 0.082 0.000 1.150 3 P CA 0.950 64.089 63.100 0.064 0.000 0.800 3 P CB 0.169 31.893 31.700 0.041 0.000 0.787 4 E N 0.315 120.550 120.200 0.058 0.000 2.107 4 E HA -0.061 4.289 4.350 0.001 0.000 0.191 4 E C 2.287 178.940 176.600 0.088 0.000 0.982 4 E CA 1.318 57.766 56.400 0.080 0.000 0.809 4 E CB -0.782 28.944 29.700 0.043 0.000 0.756 4 E HN 0.185 nan 8.360 nan 0.000 0.459 5 A N 1.162 124.008 122.820 0.042 0.000 1.855 5 A HA -0.045 4.275 4.320 0.001 0.000 0.215 5 A C 2.396 179.942 177.584 -0.065 0.000 1.191 5 A CA 1.638 53.673 52.037 -0.003 0.000 0.613 5 A CB -0.962 18.042 19.000 0.007 0.000 0.829 5 A HN 0.289 nan 8.150 nan 0.000 0.442 6 A N -1.709 121.100 122.820 -0.018 0.000 1.978 6 A HA -0.160 4.160 4.320 0.001 0.000 0.220 6 A C 2.112 179.595 177.584 -0.168 0.000 1.170 6 A CA 1.824 53.812 52.037 -0.081 0.000 0.636 6 A CB -0.769 18.313 19.000 0.137 0.000 0.810 6 A HN 0.760 nan 8.150 nan 0.000 0.448 7 Y N 0.066 120.298 120.300 -0.114 0.000 2.200 7 Y HA -0.165 4.386 4.550 0.000 0.000 0.290 7 Y C 2.494 178.314 175.900 -0.134 0.000 1.137 7 Y CA 1.984 60.047 58.100 -0.062 0.000 1.163 7 Y CB -0.167 38.301 38.460 0.015 0.000 0.988 7 Y HN 0.284 nan 8.280 nan 0.000 0.518 8 Q N 0.536 120.213 119.800 -0.205 0.000 2.079 8 Q HA -0.173 4.167 4.340 0.001 0.000 0.200 8 Q C 1.922 177.656 176.000 -0.443 0.000 0.974 8 Q CA 1.463 57.099 55.803 -0.277 0.000 0.840 8 Q CB -0.596 28.068 28.738 -0.123 0.000 0.898 8 Q HN 0.586 nan 8.270 nan 0.000 0.430 9 N N 0.708 119.045 118.700 -0.604 0.000 2.043 9 N HA -0.162 4.578 4.740 0.001 0.000 0.193 9 N C 1.890 176.686 175.510 -1.190 0.000 1.037 9 N CA 0.812 53.289 53.050 -0.955 0.000 0.851 9 N CB -0.435 37.172 38.487 -1.467 0.000 1.027 9 N HN 0.124 nan 8.380 nan 0.000 0.422 10 L N 1.402 121.890 121.223 -1.224 0.000 1.989 10 L HA -0.107 4.234 4.340 0.001 0.000 0.211 10 L C 2.235 178.618 176.870 -0.812 0.000 1.071 10 L CA 1.245 55.551 54.840 -0.890 0.000 0.749 10 L CB -1.095 40.621 42.059 -0.571 0.000 0.890 10 L HN 0.118 nan 8.230 nan 0.000 0.431 11 L N -0.115 120.669 121.223 -0.732 0.000 1.971 11 L HA -0.265 4.076 4.340 0.001 0.000 0.215 11 L C 2.522 179.217 176.870 -0.291 0.000 1.072 11 L CA 2.395 56.952 54.840 -0.472 0.000 0.758 11 L CB -1.073 40.737 42.059 -0.415 0.000 0.889 11 L HN 0.558 nan 8.230 nan 0.000 0.433 12 E N -1.389 118.656 120.200 -0.258 0.000 2.058 12 E HA -0.317 4.034 4.350 0.001 0.000 0.194 12 E C 2.216 178.764 176.600 -0.086 0.000 0.997 12 E CA 1.762 58.086 56.400 -0.128 0.000 0.801 12 E CB -0.419 29.209 29.700 -0.121 0.000 0.746 12 E HN 0.522 nan 8.360 nan 0.000 0.450 13 F N 1.358 121.131 119.950 -0.296 0.000 2.134 13 F HA -0.213 4.314 4.527 0.001 0.000 0.299 13 F C 2.420 178.111 175.800 -0.182 0.000 1.097 13 F CA 1.436 59.324 58.000 -0.187 0.000 1.264 13 F CB -0.010 38.906 39.000 -0.140 0.000 1.001 13 F HN 0.047 nan 8.300 nan 0.000 0.479 14 Q N 0.237 119.903 119.800 -0.224 0.000 2.079 14 Q HA -0.133 4.207 4.340 0.001 0.000 0.200 14 Q C 2.432 178.321 176.000 -0.184 0.000 0.974 14 Q CA 1.268 56.889 55.803 -0.304 0.000 0.840 14 Q CB -0.547 27.809 28.738 -0.638 0.000 0.898 14 Q HN 0.448 nan 8.270 nan 0.000 0.430 15 R N 0.690 121.129 120.500 -0.102 0.000 2.073 15 R HA -0.109 4.231 4.340 0.001 0.000 0.234 15 R C 2.069 178.416 176.300 0.078 0.000 1.134 15 R CA 0.993 57.082 56.100 -0.017 0.000 0.952 15 R CB -0.072 30.310 30.300 0.137 0.000 0.850 15 R HN 0.383 nan 8.270 nan 0.000 0.433 16 E N -0.113 120.131 120.200 0.073 0.000 2.085 16 E HA -0.163 4.187 4.350 0.001 0.000 0.194 16 E C 1.942 178.533 176.600 -0.016 0.000 0.994 16 E CA 1.626 58.083 56.400 0.095 0.000 0.801 16 E CB -0.269 29.380 29.700 -0.085 0.000 0.743 16 E HN 0.331 nan 8.360 nan 0.000 0.453 17 T N 1.311 115.742 114.554 -0.205 0.000 2.759 17 T HA -0.142 4.208 4.350 0.001 0.000 0.269 17 T C 1.996 176.647 174.700 -0.081 0.000 1.042 17 T CA 1.420 63.408 62.100 -0.186 0.000 1.140 17 T CB -0.209 68.517 68.868 -0.236 0.000 0.864 17 T HN 0.294 nan 8.240 nan 0.000 0.455 18 A N 0.476 123.226 122.820 -0.118 0.000 1.877 18 A HA -0.085 4.235 4.320 0.001 0.000 0.216 18 A C 2.044 179.645 177.584 0.028 0.000 1.186 18 A CA 1.398 53.322 52.037 -0.189 0.000 0.620 18 A CB -1.097 17.575 19.000 -0.548 0.000 0.822 18 A HN 0.502 nan 8.150 nan 0.000 0.443 19 Y N 0.238 120.665 120.300 0.213 0.000 2.165 19 Y HA -0.201 4.350 4.550 0.000 0.000 0.286 19 Y C 2.278 178.247 175.900 0.116 0.000 1.155 19 Y CA 1.583 59.832 58.100 0.248 0.000 1.164 19 Y CB -0.548 37.999 38.460 0.144 0.000 0.978 19 Y HN 0.197 nan 8.280 nan 0.000 0.513 20 L N -1.108 120.235 121.223 0.200 0.000 1.976 20 L HA -0.277 4.064 4.340 0.001 0.000 0.209 20 L C 2.728 179.654 176.870 0.093 0.000 1.071 20 L CA 1.286 56.189 54.840 0.105 0.000 0.746 20 L CB -1.121 40.959 42.059 0.035 0.000 0.890 20 L HN 0.212 nan 8.230 nan 0.000 0.432 21 A N -0.421 122.441 122.820 0.071 0.000 1.917 21 A HA -0.312 4.008 4.320 0.001 0.000 0.219 21 A C 2.519 180.162 177.584 0.098 0.000 1.182 21 A CA 2.273 54.346 52.037 0.061 0.000 0.633 21 A CB -0.955 18.062 19.000 0.028 0.000 0.819 21 A HN 0.460 nan 8.150 nan 0.000 0.448 22 S N -0.674 115.120 115.700 0.157 0.000 2.420 22 S HA -0.150 4.320 4.470 0.001 0.000 0.237 22 S C 1.807 176.482 174.600 0.124 0.000 1.023 22 S CA 1.628 59.942 58.200 0.191 0.000 0.991 22 S CB -0.531 62.842 63.200 0.289 0.000 0.792 22 S HN 0.510 nan 8.310 nan 0.000 0.488 23 L N 0.352 121.641 121.223 0.111 0.000 2.162 23 L HA 0.155 4.496 4.340 0.001 0.000 0.205 23 L C 2.903 179.819 176.870 0.076 0.000 1.086 23 L CA 0.894 55.783 54.840 0.081 0.000 0.778 23 L CB -0.940 41.160 42.059 0.069 0.000 0.928 23 L HN 0.473 nan 8.230 nan 0.000 0.446 24 G N -0.234 108.609 108.800 0.070 0.000 2.432 24 G HA2 -0.223 3.737 3.960 0.001 0.000 0.219 24 G HA3 -0.223 3.737 3.960 0.001 0.000 0.219 24 G C 1.759 176.709 174.900 0.082 0.000 1.135 24 G CA 0.811 45.948 45.100 0.061 0.000 0.767 24 G HN 0.440 nan 8.290 nan 0.000 0.550 25 A N 0.567 123.444 122.820 0.095 0.000 1.873 25 A HA 0.069 4.390 4.320 0.001 0.000 0.215 25 A C 2.318 180.000 177.584 0.164 0.000 1.186 25 A CA 1.601 53.710 52.037 0.120 0.000 0.616 25 A CB -0.458 18.609 19.000 0.112 0.000 0.823 25 A HN 0.448 nan 8.150 nan 0.000 0.442 26 L N -0.296 121.002 121.223 0.126 0.000 2.131 26 L HA -0.035 4.306 4.340 0.001 0.000 0.210 26 L C 2.534 179.553 176.870 0.247 0.000 1.092 26 L CA 2.072 56.998 54.840 0.143 0.000 0.759 26 L CB -0.628 41.469 42.059 0.063 0.000 0.903 26 L HN 0.331 nan 8.230 nan 0.000 0.435 27 A N -0.835 122.087 122.820 0.170 0.000 1.968 27 A HA 0.082 4.402 4.320 0.001 0.000 0.217 27 A C 2.417 180.092 177.584 0.152 0.000 1.169 27 A CA 1.269 53.392 52.037 0.143 0.000 0.638 27 A CB -0.872 18.174 19.000 0.076 0.000 0.812 27 A HN 0.530 nan 8.150 nan 0.000 0.446 28 A N -1.063 121.857 122.820 0.167 0.000 1.873 28 A HA -0.119 4.202 4.320 0.001 0.000 0.215 28 A C 1.985 179.720 177.584 0.251 0.000 1.186 28 A CA 1.479 53.602 52.037 0.143 0.000 0.616 28 A CB -0.982 18.080 19.000 0.103 0.000 0.823 28 A HN 0.849 nan 8.150 nan 0.000 0.442 29 W N 1.043 122.448 121.300 0.176 0.000 2.333 29 W HA -0.256 4.405 4.660 0.001 0.000 0.316 29 W C 1.668 178.289 176.519 0.169 0.000 1.215 29 W CA 2.230 59.729 57.345 0.257 0.000 1.278 29 W CB -0.477 29.082 29.460 0.165 0.000 1.154 29 W HN 0.477 nan 8.180 nan 0.000 0.486 30 D N -0.353 120.232 120.400 0.309 0.000 2.158 30 D HA -0.340 4.300 4.640 0.001 0.000 0.197 30 D C 2.198 178.422 176.300 -0.127 0.000 0.995 30 D CA 2.061 56.060 54.000 -0.002 0.000 0.846 30 D CB -0.514 40.416 40.800 0.217 0.000 0.941 30 D HN 0.395 nan 8.370 nan 0.000 0.456 31 Q N -0.410 119.375 119.800 -0.025 0.000 2.291 31 Q HA -0.121 4.220 4.340 0.001 0.000 0.206 31 Q C 1.000 177.003 176.000 0.004 0.000 0.976 31 Q CA 0.945 56.725 55.803 -0.038 0.000 0.875 31 Q CB 0.145 28.892 28.738 0.015 0.000 0.927 31 Q HN 0.269 nan 8.270 nan 0.000 0.450 32 R N -0.893 119.593 120.500 -0.024 0.000 2.546 32 R HA 0.119 4.459 4.340 0.001 0.000 0.320 32 R C 0.867 177.077 176.300 -0.151 0.000 1.021 32 R CA 0.746 56.858 56.100 0.020 0.000 1.088 32 R CB 0.871 31.300 30.300 0.216 0.000 1.278 32 R HN 0.283 nan 8.270 nan 0.000 0.557 33 T N -4.751 109.603 114.554 -0.333 0.000 3.304 33 T HA 0.189 4.539 4.350 0.001 0.000 0.269 33 T C 1.332 175.824 174.700 -0.347 0.000 0.895 33 T CA -0.272 61.546 62.100 -0.470 0.000 0.948 33 T CB 0.364 68.606 68.868 -1.043 0.000 1.242 33 T HN -0.088 nan 8.240 nan 0.000 0.522 34 M N 0.381 119.793 119.600 -0.312 0.000 2.180 34 M HA 0.519 5.000 4.480 0.001 0.000 0.289 34 M C 0.588 176.838 176.300 -0.084 0.000 1.089 34 M CA -0.279 54.928 55.300 -0.155 0.000 1.120 34 M CB 0.310 32.846 32.600 -0.107 0.000 1.864 34 M HN 0.241 nan 8.290 nan 0.000 0.636 35 I N 4.548 125.054 120.570 -0.107 0.000 2.906 35 I HA -0.026 4.144 4.170 0.001 0.000 0.301 35 I C -1.813 174.255 176.117 -0.081 0.000 1.221 35 I CA -0.884 60.344 61.300 -0.120 0.000 1.435 35 I CB 0.668 38.513 38.000 -0.260 0.000 1.345 35 I HN -0.011 nan 8.210 nan 0.000 0.558 36 P HA 0.024 nan 4.420 nan 0.000 0.270 36 P C 0.167 177.500 177.300 0.056 0.000 1.227 36 P CA -0.315 62.788 63.100 0.004 0.000 0.788 36 P CB 0.460 32.162 31.700 0.004 0.000 0.926 37 K N 1.087 121.547 120.400 0.100 0.000 2.147 37 K HA -0.134 4.187 4.320 0.001 0.000 0.205 37 K C 1.091 177.821 176.600 0.217 0.000 1.049 37 K CA 1.664 58.053 56.287 0.170 0.000 0.936 37 K CB -0.166 32.386 32.500 0.087 0.000 0.722 37 K HN 0.484 nan 8.250 nan 0.000 0.446 38 K N -0.229 120.246 120.400 0.125 0.000 2.374 38 K HA 0.093 4.414 4.320 0.001 0.000 0.196 38 K C 1.505 178.165 176.600 0.099 0.000 1.023 38 K CA 0.250 56.602 56.287 0.110 0.000 1.103 38 K CB 0.605 33.141 32.500 0.059 0.000 0.848 38 K HN 0.098 nan 8.250 nan 0.000 0.528 39 G N 0.031 108.866 108.800 0.059 0.000 3.042 39 G HA2 -0.085 3.875 3.960 0.001 0.000 0.212 39 G HA3 -0.085 3.875 3.960 0.001 0.000 0.212 39 G C 0.838 175.725 174.900 -0.021 0.000 1.166 39 G CA -0.129 44.978 45.100 0.012 0.000 0.767 39 G HN 0.308 nan 8.290 nan 0.000 0.546 40 H N 0.248 119.351 119.070 0.055 0.000 2.423 40 H HA -0.046 4.510 4.556 0.001 0.000 0.297 40 H C 2.191 177.546 175.328 0.046 0.000 1.075 40 H CA 1.389 57.462 56.048 0.042 0.000 1.342 40 H CB 0.303 30.081 29.762 0.027 0.000 1.395 40 H HN 0.513 nan 8.280 nan 0.000 0.530 41 E N 0.501 120.802 120.200 0.168 0.000 2.051 41 E HA -0.230 4.121 4.350 0.001 0.000 0.192 41 E C 2.217 178.883 176.600 0.111 0.000 0.991 41 E CA 1.073 57.544 56.400 0.119 0.000 0.799 41 E CB -0.001 29.761 29.700 0.104 0.000 0.748 41 E HN 0.433 nan 8.360 nan 0.000 0.449 42 H N 0.398 119.485 119.070 0.029 0.000 2.321 42 H HA -0.115 4.442 4.556 0.000 0.000 0.300 42 H C 2.111 177.446 175.328 0.012 0.000 1.087 42 H CA 2.261 58.318 56.048 0.016 0.000 1.319 42 H CB -0.094 29.672 29.762 0.007 0.000 1.379 42 H HN -0.031 nan 8.280 nan 0.000 0.501 43 R N 0.717 121.170 120.500 -0.079 0.000 2.091 43 R HA -0.080 4.260 4.340 0.001 0.000 0.238 43 R C 2.370 178.607 176.300 -0.105 0.000 1.136 43 R CA 1.680 57.699 56.100 -0.135 0.000 0.959 43 R CB -1.051 29.207 30.300 -0.069 0.000 0.856 43 R HN 0.435 nan 8.270 nan 0.000 0.437 44 A N 0.514 123.311 122.820 -0.038 0.000 1.877 44 A HA -0.147 4.173 4.320 0.001 0.000 0.216 44 A C 2.218 179.774 177.584 -0.046 0.000 1.186 44 A CA 1.648 53.673 52.037 -0.019 0.000 0.620 44 A CB -0.496 18.514 19.000 0.017 0.000 0.822 44 A HN 0.388 nan 8.150 nan 0.000 0.443 45 R N -0.685 119.777 120.500 -0.065 0.000 2.096 45 R HA -0.152 4.188 4.340 0.001 0.000 0.235 45 R C 2.498 178.734 176.300 -0.107 0.000 1.127 45 R CA 1.612 57.674 56.100 -0.064 0.000 0.968 45 R CB -0.320 29.960 30.300 -0.033 0.000 0.861 45 R HN 0.707 nan 8.270 nan 0.000 0.440 46 Q N -0.181 119.494 119.800 -0.208 0.000 1.993 46 Q HA -0.144 4.196 4.340 0.001 0.000 0.202 46 Q C 2.172 178.122 176.000 -0.083 0.000 0.984 46 Q CA 1.391 57.084 55.803 -0.184 0.000 0.837 46 Q CB -0.063 28.522 28.738 -0.256 0.000 0.902 46 Q HN 0.217 nan 8.270 nan 0.000 0.423 47 M N 0.030 119.590 119.600 -0.067 0.000 2.195 47 M HA -0.157 4.323 4.480 0.001 0.000 0.260 47 M C 2.215 178.504 176.300 -0.019 0.000 1.066 47 M CA 1.491 56.774 55.300 -0.029 0.000 1.089 47 M CB -1.238 31.349 32.600 -0.021 0.000 1.377 47 M HN 0.261 nan 8.290 nan 0.000 0.411 48 A N -0.020 122.785 122.820 -0.024 0.000 1.930 48 A HA 0.110 4.431 4.320 0.001 0.000 0.217 48 A C 2.458 180.040 177.584 -0.003 0.000 1.175 48 A CA 1.765 53.795 52.037 -0.012 0.000 0.627 48 A CB -0.732 18.262 19.000 -0.011 0.000 0.815 48 A HN 0.469 nan 8.150 nan 0.000 0.443 49 A N -0.425 122.390 122.820 -0.010 0.000 1.898 49 A HA 0.021 4.341 4.320 0.001 0.000 0.216 49 A C 2.102 179.693 177.584 0.011 0.000 1.181 49 A CA 1.642 53.681 52.037 0.002 0.000 0.620 49 A CB -0.578 18.419 19.000 -0.005 0.000 0.819 49 A HN 0.635 nan 8.150 nan 0.000 0.442 50 L N -0.072 121.155 121.223 0.006 0.000 2.017 50 L HA -0.031 4.309 4.340 0.001 0.000 0.208 50 L C 2.654 179.540 176.870 0.027 0.000 1.073 50 L CA 2.193 57.042 54.840 0.016 0.000 0.745 50 L CB -0.943 41.124 42.059 0.013 0.000 0.894 50 L HN 0.340 nan 8.230 nan 0.000 0.432 51 A N -0.385 122.450 122.820 0.024 0.000 1.948 51 A HA -0.256 4.065 4.320 0.001 0.000 0.220 51 A C 2.440 180.064 177.584 0.066 0.000 1.177 51 A CA 1.998 54.056 52.037 0.035 0.000 0.636 51 A CB -0.572 18.435 19.000 0.013 0.000 0.815 51 A HN 0.533 nan 8.150 nan 0.000 0.449 52 R N -1.359 119.175 120.500 0.057 0.000 2.066 52 R HA -0.085 4.255 4.340 0.001 0.000 0.232 52 R C 2.182 178.539 176.300 0.096 0.000 1.131 52 R CA 1.398 57.550 56.100 0.086 0.000 0.955 52 R CB -0.579 29.755 30.300 0.057 0.000 0.851 52 R HN 0.511 nan 8.270 nan 0.000 0.432 53 L N 1.308 122.566 121.223 0.060 0.000 2.017 53 L HA -0.148 4.192 4.340 0.001 0.000 0.208 53 L C 1.950 178.846 176.870 0.044 0.000 1.073 53 L CA 1.700 56.566 54.840 0.044 0.000 0.745 53 L CB -0.480 41.595 42.059 0.027 0.000 0.894 53 L HN 0.143 nan 8.230 nan 0.000 0.432 54 L N -1.105 120.149 121.223 0.051 0.000 2.083 54 L HA -0.240 4.101 4.340 0.001 0.000 0.209 54 L C 2.660 179.579 176.870 0.081 0.000 1.083 54 L CA 1.513 56.381 54.840 0.047 0.000 0.752 54 L CB -0.867 41.220 42.059 0.047 0.000 0.899 54 L HN 0.472 nan 8.230 nan 0.000 0.433 55 H N -0.085 118.998 119.070 0.021 0.000 2.357 55 H HA -0.195 4.362 4.556 0.001 0.000 0.301 55 H C 2.297 177.651 175.328 0.043 0.000 1.082 55 H CA 1.811 57.874 56.048 0.026 0.000 1.342 55 H CB 0.042 29.814 29.762 0.016 0.000 1.389 55 H HN 0.213 nan 8.280 nan 0.000 0.511 56 Q N 0.801 120.549 119.800 -0.087 0.000 2.050 56 Q HA -0.160 4.180 4.340 0.001 0.000 0.202 56 Q C 2.257 178.236 176.000 -0.034 0.000 0.980 56 Q CA 1.558 57.295 55.803 -0.110 0.000 0.840 56 Q CB -0.028 28.710 28.738 0.000 0.000 0.898 56 Q HN 0.539 nan 8.270 nan 0.000 0.424 57 R N -0.427 120.095 120.500 0.037 0.000 2.115 57 R HA -0.062 4.278 4.340 0.001 0.000 0.230 57 R C 2.364 178.762 176.300 0.163 0.000 1.111 57 R CA 1.390 57.578 56.100 0.147 0.000 0.976 57 R CB -0.236 30.068 30.300 0.007 0.000 0.870 57 R HN 0.262 nan 8.270 nan 0.000 0.445 58 M N 0.234 119.869 119.600 0.058 0.000 2.279 58 M HA -0.106 4.375 4.480 0.001 0.000 0.264 58 M C 1.562 177.933 176.300 0.118 0.000 1.062 58 M CA 1.628 56.978 55.300 0.085 0.000 1.099 58 M CB 0.237 32.871 32.600 0.056 0.000 1.394 58 M HN 0.174 nan 8.290 nan 0.000 0.426 59 T N -3.753 110.804 114.554 0.004 0.000 3.085 59 T HA 0.101 4.452 4.350 0.001 0.000 0.264 59 T C 0.339 175.107 174.700 0.113 0.000 1.019 59 T CA -0.553 61.560 62.100 0.021 0.000 0.910 59 T CB -0.274 68.481 68.868 -0.190 0.000 1.059 59 T HN 0.154 nan 8.240 nan 0.000 0.542 60 D N 4.023 124.486 120.400 0.105 0.000 2.451 60 D HA 0.019 4.659 4.640 0.001 0.000 0.254 60 D C -0.939 175.339 176.300 -0.037 0.000 1.204 60 D CA -1.259 52.749 54.000 0.013 0.000 0.896 60 D CB 1.592 42.398 40.800 0.010 0.000 1.136 60 D HN 0.138 nan 8.370 nan 0.000 0.499 61 P HA -0.164 nan 4.420 nan 0.000 0.222 61 P C 1.162 178.260 177.300 -0.337 0.000 1.142 61 P CA 0.778 63.828 63.100 -0.084 0.000 0.788 61 P CB 0.266 31.916 31.700 -0.084 0.000 0.767 62 R N -0.435 119.734 120.500 -0.551 0.000 2.120 62 R HA -0.035 4.305 4.340 0.001 0.000 0.234 62 R C 2.565 178.196 176.300 -1.115 0.000 1.123 62 R CA 0.979 56.463 56.100 -1.027 0.000 0.975 62 R CB -0.701 28.754 30.300 -1.409 0.000 0.866 62 R HN 0.249 nan 8.270 nan 0.000 0.446 63 I N -0.154 119.973 120.570 -0.738 0.000 2.163 63 I HA -0.245 3.925 4.170 0.001 0.000 0.243 63 I C 2.534 178.280 176.117 -0.619 0.000 1.085 63 I CA 1.620 62.600 61.300 -0.534 0.000 1.347 63 I CB -0.714 36.918 38.000 -0.614 0.000 1.044 63 I HN 0.324 nan 8.210 nan 0.000 0.408 64 G N 0.265 108.582 108.800 -0.805 0.000 2.446 64 G HA2 -0.250 3.711 3.960 0.001 0.000 0.217 64 G HA3 -0.250 3.711 3.960 0.001 0.000 0.217 64 G C 1.482 176.240 174.900 -0.236 0.000 1.168 64 G CA 0.794 45.631 45.100 -0.439 0.000 0.771 64 G HN 0.415 nan 8.290 nan 0.000 0.551 65 E N -0.400 119.609 120.200 -0.319 0.000 2.033 65 E HA -0.171 4.179 4.350 0.001 0.000 0.199 65 E C 2.355 178.869 176.600 -0.142 0.000 1.011 65 E CA 1.335 57.569 56.400 -0.276 0.000 0.815 65 E CB -0.190 29.238 29.700 -0.453 0.000 0.755 65 E HN 0.570 nan 8.360 nan 0.000 0.451 66 W N 0.837 122.044 121.300 -0.155 0.000 2.338 66 W HA -0.119 4.542 4.660 0.001 0.000 0.304 66 W C 2.137 178.617 176.519 -0.065 0.000 1.212 66 W CA 0.625 57.900 57.345 -0.116 0.000 1.264 66 W CB -1.066 28.295 29.460 -0.165 0.000 1.142 66 W HN 0.163 nan 8.180 nan 0.000 0.512 67 L N 0.062 121.368 121.223 0.138 0.000 2.012 67 L HA -0.233 4.107 4.340 0.001 0.000 0.210 67 L C 2.441 179.366 176.870 0.091 0.000 1.073 67 L CA 1.696 56.602 54.840 0.110 0.000 0.748 67 L CB -0.911 41.170 42.059 0.038 0.000 0.891 67 L HN -0.005 nan 8.230 nan 0.000 0.431 68 E N 0.141 120.370 120.200 0.049 0.000 2.333 68 E HA -0.272 4.078 4.350 0.001 0.000 0.198 68 E C 1.937 178.568 176.600 0.052 0.000 1.007 68 E CA 0.978 57.403 56.400 0.041 0.000 0.845 68 E CB 0.234 29.943 29.700 0.014 0.000 0.766 68 E HN 0.168 nan 8.360 nan 0.000 0.507 69 K N -0.353 120.094 120.400 0.078 0.000 2.211 69 K HA 0.004 4.324 4.320 0.001 0.000 0.201 69 K C 1.680 178.330 176.600 0.085 0.000 1.052 69 K CA 0.588 56.923 56.287 0.081 0.000 0.973 69 K CB 0.156 32.722 32.500 0.109 0.000 0.766 69 K HN -0.043 nan 8.250 nan 0.000 0.466 70 V N 1.421 121.402 119.914 0.111 0.000 2.535 70 V HA -0.009 4.111 4.120 0.001 0.000 0.246 70 V C 0.108 176.243 176.094 0.067 0.000 1.045 70 V CA 0.726 63.089 62.300 0.106 0.000 1.058 70 V CB -0.421 31.512 31.823 0.183 0.000 0.689 70 V HN 0.270 nan 8.190 nan 0.000 0.461 71 E N 0.637 120.880 120.200 0.071 0.000 2.415 71 E HA 0.355 4.705 4.350 0.001 0.000 0.260 71 E C 1.140 177.756 176.600 0.027 0.000 1.016 71 E CA 0.767 57.195 56.400 0.046 0.000 0.924 71 E CB 0.266 29.998 29.700 0.052 0.000 0.961 71 E HN 0.454 nan 8.360 nan 0.000 0.459 72 G N 2.791 111.598 108.800 0.012 0.000 2.176 72 G HA2 -0.307 3.654 3.960 0.001 0.000 0.232 72 G HA3 -0.307 3.654 3.960 0.001 0.000 0.232 72 G C 0.382 175.281 174.900 -0.000 0.000 0.986 72 G CA 0.181 45.283 45.100 0.005 0.000 0.643 72 G HN 0.658 nan 8.290 nan 0.000 0.522 73 S N 0.051 115.751 115.700 -0.001 0.000 2.652 73 S HA 0.685 5.155 4.470 0.001 0.000 0.270 73 S C -0.899 173.687 174.600 -0.024 0.000 1.243 73 S CA -0.566 57.630 58.200 -0.007 0.000 0.999 73 S CB 2.247 65.445 63.200 -0.002 0.000 0.973 73 S HN -0.050 nan 8.310 nan 0.000 0.544 74 P HA -0.037 nan 4.420 nan 0.000 0.219 74 P C 1.464 178.731 177.300 -0.056 0.000 1.146 74 P CA 0.335 63.414 63.100 -0.035 0.000 0.808 74 P CB -0.037 31.647 31.700 -0.028 0.000 0.779 75 L N -0.941 120.240 121.223 -0.070 0.000 2.263 75 L HA -0.123 4.217 4.340 0.001 0.000 0.216 75 L C 1.620 178.402 176.870 -0.147 0.000 1.111 75 L CA 1.857 56.623 54.840 -0.123 0.000 0.773 75 L CB -0.561 41.407 42.059 -0.152 0.000 0.906 75 L HN -0.138 nan 8.230 nan 0.000 0.439 76 V N -0.746 119.107 119.914 -0.102 0.000 3.477 76 V HA -0.026 4.094 4.120 0.001 0.000 0.297 76 V C 1.978 178.031 176.094 -0.069 0.000 1.433 76 V CA 0.609 62.852 62.300 -0.095 0.000 1.052 76 V CB 0.302 32.085 31.823 -0.068 0.000 0.895 76 V HN 0.600 nan 8.190 nan 0.000 0.438 77 Q N 0.570 120.336 119.800 -0.057 0.000 2.197 77 Q HA -0.210 4.130 4.340 0.001 0.000 0.207 77 Q C 0.832 176.805 176.000 -0.044 0.000 0.984 77 Q CA 1.904 57.682 55.803 -0.042 0.000 0.869 77 Q CB -0.231 28.486 28.738 -0.035 0.000 0.906 77 Q HN 0.526 nan 8.270 nan 0.000 0.426 78 D N 1.150 121.516 120.400 -0.056 0.000 2.380 78 D HA 0.164 4.804 4.640 0.001 0.000 0.230 78 D C -1.916 174.341 176.300 -0.071 0.000 1.154 78 D CA -2.611 51.357 54.000 -0.055 0.000 0.859 78 D CB 1.598 42.366 40.800 -0.055 0.000 1.045 78 D HN -0.106 nan 8.370 nan 0.000 0.495 79 P HA -0.130 nan 4.420 nan 0.000 0.217 79 P C 1.075 178.306 177.300 -0.116 0.000 1.148 79 P CA 0.726 63.781 63.100 -0.075 0.000 0.828 79 P CB 0.325 31.998 31.700 -0.043 0.000 0.783 80 L N -1.417 119.744 121.223 -0.105 0.000 2.591 80 L HA 0.072 4.412 4.340 0.001 0.000 0.228 80 L C 1.164 177.933 176.870 -0.167 0.000 1.133 80 L CA 0.410 55.158 54.840 -0.154 0.000 0.880 80 L CB -1.104 40.910 42.059 -0.075 0.000 1.033 80 L HN -0.086 nan 8.230 nan 0.000 0.450 81 S N -1.631 113.984 115.700 -0.141 0.000 2.579 81 S HA 0.030 4.501 4.470 0.001 0.000 0.275 81 S C 0.937 175.427 174.600 -0.183 0.000 1.345 81 S CA -0.615 57.501 58.200 -0.140 0.000 1.031 81 S CB 0.842 63.965 63.200 -0.129 0.000 0.892 81 S HN 0.166 nan 8.310 nan 0.000 0.529 82 D N 2.114 122.413 120.400 -0.168 0.000 2.104 82 D HA -0.112 4.529 4.640 0.001 0.000 0.194 82 D C 2.273 178.464 176.300 -0.182 0.000 0.994 82 D CA 1.936 55.818 54.000 -0.196 0.000 0.830 82 D CB -0.969 39.770 40.800 -0.102 0.000 0.959 82 D HN 0.737 nan 8.370 nan 0.000 0.452 83 A N 1.300 124.002 122.820 -0.197 0.000 1.865 83 A HA -0.134 4.186 4.320 0.001 0.000 0.217 83 A C 2.379 179.844 177.584 -0.199 0.000 1.191 83 A CA 2.779 54.638 52.037 -0.296 0.000 0.623 83 A CB -0.947 17.703 19.000 -0.582 0.000 0.826 83 A HN 0.256 nan 8.150 nan 0.000 0.444 84 A N -0.730 121.977 122.820 -0.188 0.000 1.908 84 A HA -0.051 4.269 4.320 0.001 0.000 0.218 84 A C 2.262 179.741 177.584 -0.176 0.000 1.181 84 A CA 1.965 53.913 52.037 -0.149 0.000 0.627 84 A CB -1.065 17.855 19.000 -0.133 0.000 0.818 84 A HN 0.447 nan 8.150 nan 0.000 0.445 85 V N 0.929 120.706 119.914 -0.230 0.000 2.343 85 V HA -0.276 3.844 4.120 0.001 0.000 0.247 85 V C 2.348 178.226 176.094 -0.359 0.000 1.051 85 V CA 2.228 64.360 62.300 -0.281 0.000 1.036 85 V CB -0.938 30.689 31.823 -0.327 0.000 0.654 85 V HN 0.572 nan 8.190 nan 0.000 0.451 86 N N 0.541 118.966 118.700 -0.458 0.000 2.106 86 N HA -0.130 4.610 4.740 0.001 0.000 0.188 86 N C 1.942 176.955 175.510 -0.827 0.000 1.029 86 N CA 1.872 54.370 53.050 -0.921 0.000 0.848 86 N CB -0.697 37.076 38.487 -1.190 0.000 1.007 86 N HN 0.547 nan 8.380 nan 0.000 0.423 87 V N 0.005 119.768 119.914 -0.252 0.000 2.407 87 V HA -0.123 3.998 4.120 0.001 0.000 0.248 87 V C 2.444 178.561 176.094 0.038 0.000 1.055 87 V CA 1.504 63.867 62.300 0.105 0.000 1.049 87 V CB -0.636 31.290 31.823 0.173 0.000 0.662 87 V HN 0.154 nan 8.190 nan 0.000 0.455 88 R N 0.126 120.586 120.500 -0.067 0.000 2.080 88 R HA -0.180 4.160 4.340 0.001 0.000 0.236 88 R C 2.477 178.756 176.300 -0.035 0.000 1.137 88 R CA 2.269 58.340 56.100 -0.047 0.000 0.943 88 R CB -0.265 29.981 30.300 -0.090 0.000 0.846 88 R HN 0.638 nan 8.270 nan 0.000 0.431 89 E N -0.266 119.858 120.200 -0.125 0.000 2.072 89 E HA -0.191 4.159 4.350 0.001 0.000 0.190 89 E C 1.925 178.559 176.600 0.058 0.000 0.982 89 E CA 0.825 57.173 56.400 -0.087 0.000 0.803 89 E CB -0.439 29.141 29.700 -0.199 0.000 0.755 89 E HN 0.466 nan 8.360 nan 0.000 0.453 90 W N 1.650 122.967 121.300 0.029 0.000 2.338 90 W HA -0.159 4.501 4.660 0.000 0.000 0.304 90 W C 2.488 179.064 176.519 0.095 0.000 1.212 90 W CA 1.028 58.403 57.345 0.051 0.000 1.264 90 W CB -1.031 28.451 29.460 0.036 0.000 1.142 90 W HN 0.147 nan 8.180 nan 0.000 0.512 91 R N 1.189 121.873 120.500 0.307 0.000 2.073 91 R HA -0.220 4.121 4.340 0.001 0.000 0.234 91 R C 2.133 178.573 176.300 0.233 0.000 1.134 91 R CA 2.311 58.564 56.100 0.255 0.000 0.952 91 R CB -1.195 29.208 30.300 0.171 0.000 0.850 91 R HN 0.125 nan 8.270 nan 0.000 0.433 92 Q N -0.132 119.762 119.800 0.157 0.000 2.020 92 Q HA -0.019 4.322 4.340 0.001 0.000 0.202 92 Q C 1.915 177.989 176.000 0.122 0.000 0.982 92 Q CA 2.508 58.377 55.803 0.108 0.000 0.838 92 Q CB -0.639 28.137 28.738 0.063 0.000 0.899 92 Q HN 0.401 nan 8.270 nan 0.000 0.423 93 A N -0.767 122.147 122.820 0.157 0.000 1.972 93 A HA -0.165 4.155 4.320 0.001 0.000 0.219 93 A C 1.991 179.682 177.584 0.179 0.000 1.169 93 A CA 1.455 53.582 52.037 0.150 0.000 0.635 93 A CB -0.967 18.138 19.000 0.176 0.000 0.810 93 A HN 0.661 nan 8.150 nan 0.000 0.446 94 Y N 0.621 120.976 120.300 0.091 0.000 2.184 94 Y HA -0.094 4.456 4.550 0.001 0.000 0.290 94 Y C 2.208 178.133 175.900 0.041 0.000 1.129 94 Y CA 1.830 59.968 58.100 0.064 0.000 1.144 94 Y CB -0.067 38.437 38.460 0.073 0.000 0.995 94 Y HN 0.294 nan 8.280 nan 0.000 0.513 95 E N 0.438 120.632 120.200 -0.010 0.000 2.153 95 E HA -0.218 4.132 4.350 0.001 0.000 0.194 95 E C 2.268 178.806 176.600 -0.103 0.000 0.988 95 E CA 1.186 57.513 56.400 -0.122 0.000 0.811 95 E CB -0.325 29.377 29.700 0.002 0.000 0.746 95 E HN 0.492 nan 8.360 nan 0.000 0.466 96 R N 0.616 121.095 120.500 -0.034 0.000 2.090 96 R HA -0.011 4.329 4.340 0.001 0.000 0.228 96 R C 2.156 178.433 176.300 -0.037 0.000 1.110 96 R CA 1.219 57.305 56.100 -0.024 0.000 0.973 96 R CB -0.112 30.188 30.300 0.001 0.000 0.869 96 R HN 0.106 nan 8.270 nan 0.000 0.440 97 A N 0.830 123.627 122.820 -0.038 0.000 1.969 97 A HA -0.061 4.259 4.320 0.001 0.000 0.218 97 A C 1.883 179.432 177.584 -0.058 0.000 1.169 97 A CA 0.860 52.891 52.037 -0.010 0.000 0.635 97 A CB -0.234 18.777 19.000 0.018 0.000 0.810 97 A HN 0.209 nan 8.150 nan 0.000 0.445 98 R N -0.351 120.037 120.500 -0.187 0.000 2.153 98 R HA 0.093 4.433 4.340 0.001 0.000 0.218 98 R C 2.336 178.567 176.300 -0.116 0.000 1.072 98 R CA 1.095 57.068 56.100 -0.212 0.000 0.990 98 R CB -0.940 29.121 30.300 -0.397 0.000 0.889 98 R HN 0.494 nan 8.270 nan 0.000 0.452 99 A N 1.877 124.641 122.820 -0.094 0.000 1.883 99 A HA -0.089 4.231 4.320 0.001 0.000 0.217 99 A C 1.332 178.895 177.584 -0.035 0.000 1.186 99 A CA 0.899 52.902 52.037 -0.056 0.000 0.624 99 A CB -0.376 18.599 19.000 -0.041 0.000 0.822 99 A HN 0.162 nan 8.150 nan 0.000 0.444 100 I N 1.061 121.618 120.570 -0.023 0.000 2.352 100 I HA 0.224 4.395 4.170 0.001 0.000 0.290 100 I C -2.400 173.716 176.117 -0.002 0.000 1.036 100 I CA -1.979 59.312 61.300 -0.015 0.000 1.336 100 I CB 1.107 39.097 38.000 -0.016 0.000 1.407 100 I HN 0.043 nan 8.210 nan 0.000 0.497 101 P HA 0.084 nan 4.420 nan 0.000 0.271 101 P C 0.536 177.834 177.300 -0.003 0.000 1.216 101 P CA -0.315 62.784 63.100 -0.002 0.000 0.771 101 P CB 0.668 32.362 31.700 -0.010 0.000 0.864 102 E N 2.624 122.832 120.200 0.013 0.000 2.086 102 E HA -0.280 4.070 4.350 0.001 0.000 0.200 102 E C 1.828 178.415 176.600 -0.022 0.000 1.012 102 E CA 1.437 57.835 56.400 -0.003 0.000 0.812 102 E CB -0.258 29.457 29.700 0.024 0.000 0.743 102 E HN 0.471 nan 8.360 nan 0.000 0.453 103 R N 0.490 120.982 120.500 -0.013 0.000 2.133 103 R HA -0.228 4.112 4.340 0.001 0.000 0.245 103 R C 2.510 178.796 176.300 -0.023 0.000 1.137 103 R CA 1.924 58.014 56.100 -0.016 0.000 0.947 103 R CB -0.423 29.869 30.300 -0.013 0.000 0.865 103 R HN 0.166 nan 8.270 nan 0.000 0.437 104 L N 0.374 121.582 121.223 -0.025 0.000 2.044 104 L HA 0.031 4.372 4.340 0.001 0.000 0.205 104 L C 2.366 179.216 176.870 -0.035 0.000 1.075 104 L CA 2.112 56.935 54.840 -0.028 0.000 0.747 104 L CB -0.770 41.273 42.059 -0.028 0.000 0.903 104 L HN 0.285 nan 8.230 nan 0.000 0.435 105 A N -1.024 121.768 122.820 -0.046 0.000 1.948 105 A HA -0.178 4.142 4.320 0.001 0.000 0.220 105 A C 2.237 179.776 177.584 -0.076 0.000 1.177 105 A CA 2.252 54.247 52.037 -0.071 0.000 0.636 105 A CB -1.105 17.826 19.000 -0.115 0.000 0.815 105 A HN 0.332 nan 8.150 nan 0.000 0.449 106 V N -0.260 119.614 119.914 -0.067 0.000 2.283 106 V HA -0.232 3.889 4.120 0.001 0.000 0.243 106 V C 2.372 178.447 176.094 -0.033 0.000 1.039 106 V CA 2.130 64.397 62.300 -0.055 0.000 1.016 106 V CB -0.938 30.859 31.823 -0.043 0.000 0.650 106 V HN 0.635 nan 8.190 nan 0.000 0.449 107 E N 0.016 120.201 120.200 -0.025 0.000 2.097 107 E HA -0.284 4.067 4.350 0.001 0.000 0.196 107 E C 2.122 178.717 176.600 -0.008 0.000 1.000 107 E CA 1.581 57.972 56.400 -0.014 0.000 0.804 107 E CB -0.287 29.404 29.700 -0.015 0.000 0.740 107 E HN 0.395 nan 8.360 nan 0.000 0.454 108 L N 0.896 122.112 121.223 -0.010 0.000 2.046 108 L HA -0.107 4.233 4.340 0.001 0.000 0.208 108 L C 2.174 179.048 176.870 0.007 0.000 1.077 108 L CA 2.022 56.865 54.840 0.005 0.000 0.747 108 L CB -0.695 41.367 42.059 0.005 0.000 0.896 108 L HN 0.037 nan 8.230 nan 0.000 0.432 109 A N -0.865 121.948 122.820 -0.011 0.000 1.902 109 A HA -0.280 4.041 4.320 0.001 0.000 0.217 109 A C 2.241 179.821 177.584 -0.007 0.000 1.181 109 A CA 1.768 53.797 52.037 -0.015 0.000 0.623 109 A CB -0.710 18.269 19.000 -0.035 0.000 0.818 109 A HN 0.625 nan 8.150 nan 0.000 0.443 110 Q N 0.101 119.898 119.800 -0.006 0.000 1.975 110 Q HA -0.087 4.253 4.340 0.001 0.000 0.205 110 Q C 2.077 178.083 176.000 0.010 0.000 0.990 110 Q CA 2.725 58.528 55.803 0.001 0.000 0.845 110 Q CB -0.731 28.009 28.738 0.002 0.000 0.913 110 Q HN 0.508 nan 8.270 nan 0.000 0.420 111 A N 0.109 122.942 122.820 0.020 0.000 1.940 111 A HA -0.252 4.068 4.320 0.001 0.000 0.219 111 A C 2.003 179.607 177.584 0.033 0.000 1.176 111 A CA 1.821 53.881 52.037 0.038 0.000 0.631 111 A CB -0.734 18.291 19.000 0.041 0.000 0.814 111 A HN 0.634 nan 8.150 nan 0.000 0.446 112 E N -0.010 120.207 120.200 0.028 0.000 2.031 112 E HA -0.161 4.189 4.350 0.001 0.000 0.193 112 E C 2.425 179.030 176.600 0.009 0.000 0.994 112 E CA 1.662 58.077 56.400 0.026 0.000 0.800 112 E CB -0.147 29.565 29.700 0.020 0.000 0.752 112 E HN 0.807 nan 8.360 nan 0.000 0.447 113 S N 0.343 116.042 115.700 -0.001 0.000 2.423 113 S HA -0.139 4.332 4.470 0.001 0.000 0.231 113 S C 1.826 176.418 174.600 -0.014 0.000 1.014 113 S CA 0.954 59.151 58.200 -0.005 0.000 0.965 113 S CB -0.031 63.165 63.200 -0.007 0.000 0.785 113 S HN 0.189 nan 8.310 nan 0.000 0.495 114 E N 0.856 121.034 120.200 -0.036 0.000 2.427 114 E HA 0.164 4.514 4.350 0.001 0.000 0.196 114 E C 1.816 178.266 176.600 -0.249 0.000 1.028 114 E CA 0.615 56.941 56.400 -0.123 0.000 0.864 114 E CB -0.131 29.524 29.700 -0.074 0.000 0.813 114 E HN 0.727 nan 8.360 nan 0.000 0.514 115 A N 0.492 123.272 122.820 -0.067 0.000 1.942 115 A HA 0.003 4.323 4.320 0.001 0.000 0.209 115 A C 1.773 179.513 177.584 0.260 0.000 1.214 115 A CA 0.291 52.356 52.037 0.047 0.000 0.686 115 A CB -0.057 18.986 19.000 0.073 0.000 0.871 115 A HN 0.127 nan 8.150 nan 0.000 0.460 116 E N 0.995 121.288 120.200 0.156 0.000 2.058 116 E HA -0.188 4.162 4.350 0.001 0.000 0.194 116 E C 2.382 179.160 176.600 0.297 0.000 0.997 116 E CA 1.686 58.200 56.400 0.191 0.000 0.801 116 E CB -0.259 29.474 29.700 0.056 0.000 0.746 116 E HN 0.744 nan 8.360 nan 0.000 0.450 117 S N 1.459 117.258 115.700 0.164 0.000 2.354 117 S HA -0.236 4.235 4.470 0.001 0.000 0.219 117 S C 1.970 176.656 174.600 0.143 0.000 1.035 117 S CA 1.072 59.344 58.200 0.120 0.000 1.037 117 S CB -0.970 62.260 63.200 0.049 0.000 0.956 117 S HN 0.334 nan 8.310 nan 0.000 0.428 118 F N 1.080 121.025 119.950 -0.008 0.000 2.287 118 F HA -0.069 4.458 4.527 0.001 0.000 0.301 118 F C 1.934 177.844 175.800 0.183 0.000 1.069 118 F CA 1.339 59.349 58.000 0.017 0.000 1.372 118 F CB -0.384 38.504 39.000 -0.187 0.000 1.056 118 F HN 0.465 nan 8.300 nan 0.000 0.523 119 W N 1.178 122.575 121.300 0.161 0.000 2.481 119 W HA -0.043 4.617 4.660 0.000 0.000 0.293 119 W C 2.268 178.716 176.519 -0.119 0.000 1.201 119 W CA 1.227 58.585 57.345 0.021 0.000 1.328 119 W CB -0.543 28.974 29.460 0.095 0.000 1.112 119 W HN -0.002 nan 8.180 nan 0.000 0.546 120 E N 0.871 121.028 120.200 -0.071 0.000 2.233 120 E HA -0.301 4.050 4.350 0.001 0.000 0.199 120 E C 1.824 178.141 176.600 -0.472 0.000 1.004 120 E CA 2.351 58.547 56.400 -0.339 0.000 0.819 120 E CB -0.206 29.469 29.700 -0.042 0.000 0.738 120 E HN 0.725 nan 8.360 nan 0.000 0.478 121 E N -2.349 117.602 120.200 -0.415 0.000 2.453 121 E HA 0.240 4.590 4.350 0.001 0.000 0.211 121 E C 1.870 178.226 176.600 -0.407 0.000 0.897 121 E CA 0.446 56.627 56.400 -0.364 0.000 1.063 121 E CB -0.058 29.480 29.700 -0.270 0.000 1.080 121 E HN 0.165 nan 8.360 nan 0.000 0.512 122 A N 2.282 124.800 122.820 -0.503 0.000 1.969 122 A HA -0.113 4.207 4.320 0.001 0.000 0.218 122 A C 2.293 179.677 177.584 -0.333 0.000 1.169 122 A CA 1.331 53.125 52.037 -0.405 0.000 0.635 122 A CB -0.581 18.209 19.000 -0.349 0.000 0.810 122 A HN 0.191 nan 8.150 nan 0.000 0.445 123 R N 0.019 120.181 120.500 -0.563 0.000 2.075 123 R HA -0.114 4.226 4.340 0.001 0.000 0.230 123 R C -0.880 175.260 176.300 -0.267 0.000 1.140 123 R CA 1.958 57.778 56.100 -0.466 0.000 0.928 123 R CB -1.318 28.530 30.300 -0.755 0.000 0.834 123 R HN 0.318 nan 8.270 nan 0.000 0.429 124 P HA -0.171 nan 4.420 nan 0.000 0.216 124 P C 0.761 177.987 177.300 -0.122 0.000 1.150 124 P CA 1.473 64.468 63.100 -0.175 0.000 0.843 124 P CB -0.196 31.398 31.700 -0.176 0.000 0.787 125 R N -0.242 120.178 120.500 -0.134 0.000 2.237 125 R HA -0.136 4.204 4.340 0.001 0.000 0.219 125 R C 0.379 176.672 176.300 -0.013 0.000 1.080 125 R CA 1.138 57.193 56.100 -0.076 0.000 0.995 125 R CB -0.873 29.370 30.300 -0.096 0.000 0.875 125 R HN -0.028 nan 8.270 nan 0.000 0.462 126 D N -0.332 120.067 120.400 -0.003 0.000 3.012 126 D HA -0.206 4.434 4.640 0.001 0.000 0.222 126 D C -0.980 175.475 176.300 0.258 0.000 1.167 126 D CA 1.330 55.406 54.000 0.126 0.000 0.854 126 D CB -1.003 39.841 40.800 0.074 0.000 1.107 126 D HN 0.468 nan 8.370 nan 0.000 0.421 127 D N -0.250 120.244 120.400 0.156 0.000 2.608 127 D HA 0.009 4.650 4.640 0.001 0.000 0.224 127 D C 1.117 177.591 176.300 0.289 0.000 1.123 127 D CA -0.371 53.754 54.000 0.209 0.000 1.030 127 D CB -0.446 40.432 40.800 0.130 0.000 1.093 127 D HN 0.438 nan 8.370 nan 0.000 0.497 128 W N 4.071 125.415 121.300 0.072 0.000 2.518 128 W HA -0.115 4.545 4.660 0.000 0.000 0.273 128 W C 0.766 177.328 176.519 0.072 0.000 1.247 128 W CA 0.232 57.549 57.345 -0.047 0.000 1.288 128 W CB 0.107 29.127 29.460 -0.734 0.000 1.107 128 W HN 0.233 nan 8.180 nan 0.000 0.586 129 R N 0.522 121.106 120.500 0.139 0.000 2.115 129 R HA -0.054 4.286 4.340 0.001 0.000 0.230 129 R C 2.384 178.672 176.300 -0.020 0.000 1.111 129 R CA 1.485 57.608 56.100 0.039 0.000 0.976 129 R CB -1.853 28.533 30.300 0.143 0.000 0.870 129 R HN 0.310 nan 8.270 nan 0.000 0.445 130 G N -0.678 108.207 108.800 0.142 0.000 2.939 130 G HA2 -0.101 3.860 3.960 0.001 0.000 0.210 130 G HA3 -0.101 3.860 3.960 0.001 0.000 0.210 130 G C 0.999 175.972 174.900 0.121 0.000 1.160 130 G CA -0.312 44.898 45.100 0.184 0.000 0.770 130 G HN 0.254 nan 8.290 nan 0.000 0.543 131 F N 0.478 120.454 119.950 0.043 0.000 2.317 131 F HA 0.279 4.806 4.527 0.001 0.000 0.290 131 F C 2.139 177.755 175.800 -0.306 0.000 1.075 131 F CA -0.051 57.977 58.000 0.046 0.000 1.380 131 F CB -0.113 38.970 39.000 0.138 0.000 1.093 131 F HN 0.037 nan 8.300 nan 0.000 0.524 132 L N 1.729 122.570 121.223 -0.637 0.000 2.064 132 L HA -0.199 4.141 4.340 0.001 0.000 0.216 132 L C -0.956 175.591 176.870 -0.540 0.000 1.077 132 L CA 2.458 56.856 54.840 -0.736 0.000 0.766 132 L CB -1.748 39.923 42.059 -0.647 0.000 0.890 132 L HN 0.029 nan 8.230 nan 0.000 0.435 133 P HA -0.175 nan 4.420 nan 0.000 0.215 133 P C 1.187 178.170 177.300 -0.528 0.000 1.157 133 P CA 1.558 64.347 63.100 -0.517 0.000 0.868 133 P CB -0.178 31.142 31.700 -0.634 0.000 0.788 134 Y N -1.234 118.768 120.300 -0.496 0.000 2.352 134 Y HA -0.081 4.469 4.550 0.001 0.000 0.292 134 Y C 2.207 177.847 175.900 -0.432 0.000 1.136 134 Y CA 0.651 58.486 58.100 -0.442 0.000 1.227 134 Y CB -1.256 36.925 38.460 -0.465 0.000 0.991 134 Y HN -0.102 nan 8.280 nan 0.000 0.545 135 L N 0.257 121.179 121.223 -0.502 0.000 2.095 135 L HA -0.046 4.294 4.340 0.001 0.000 0.204 135 L C 2.221 179.024 176.870 -0.113 0.000 1.080 135 L CA 1.673 56.305 54.840 -0.346 0.000 0.759 135 L CB -0.530 41.235 42.059 -0.491 0.000 0.914 135 L HN -0.111 nan 8.230 nan 0.000 0.439 136 K N -0.082 120.212 120.400 -0.177 0.000 2.211 136 K HA -0.195 4.125 4.320 0.001 0.000 0.204 136 K C 2.351 178.944 176.600 -0.012 0.000 1.047 136 K CA 1.510 57.749 56.287 -0.080 0.000 0.935 136 K CB -0.217 32.199 32.500 -0.141 0.000 0.728 136 K HN 0.355 nan 8.250 nan 0.000 0.452 137 R N -0.705 119.765 120.500 -0.050 0.000 2.090 137 R HA 0.014 4.354 4.340 0.001 0.000 0.219 137 R C 1.887 178.198 176.300 0.018 0.000 1.100 137 R CA 0.932 57.017 56.100 -0.026 0.000 0.991 137 R CB -0.078 30.197 30.300 -0.042 0.000 0.893 137 R HN 0.028 nan 8.270 nan 0.000 0.443 138 V N 0.926 120.874 119.914 0.056 0.000 2.255 138 V HA -0.298 3.823 4.120 0.001 0.000 0.247 138 V C 2.107 178.294 176.094 0.156 0.000 1.051 138 V CA 2.102 64.473 62.300 0.119 0.000 1.018 138 V CB -0.835 31.090 31.823 0.171 0.000 0.641 138 V HN 0.410 nan 8.190 nan 0.000 0.445 139 Y N 1.619 121.956 120.300 0.062 0.000 2.114 139 Y HA -0.308 4.243 4.550 0.001 0.000 0.282 139 Y C 2.387 178.226 175.900 -0.103 0.000 1.165 139 Y CA 1.780 59.827 58.100 -0.088 0.000 1.148 139 Y CB -0.828 37.503 38.460 -0.215 0.000 0.972 139 Y HN 0.143 nan 8.280 nan 0.000 0.504 140 A N 0.440 123.136 122.820 -0.207 0.000 1.917 140 A HA -0.195 4.125 4.320 0.001 0.000 0.219 140 A C 2.365 179.815 177.584 -0.224 0.000 1.182 140 A CA 2.101 53.983 52.037 -0.258 0.000 0.633 140 A CB -1.172 17.779 19.000 -0.081 0.000 0.819 140 A HN 0.593 nan 8.150 nan 0.000 0.448 141 L N -1.280 119.869 121.223 -0.122 0.000 2.131 141 L HA -0.095 4.246 4.340 0.001 0.000 0.206 141 L C 2.689 179.512 176.870 -0.079 0.000 1.087 141 L CA 1.529 56.323 54.840 -0.077 0.000 0.767 141 L CB -0.766 41.278 42.059 -0.025 0.000 0.917 141 L HN 0.326 nan 8.230 nan 0.000 0.441 142 T N -0.500 114.014 114.554 -0.067 0.000 2.821 142 T HA -0.217 4.133 4.350 0.001 0.000 0.267 142 T C 1.908 176.543 174.700 -0.109 0.000 1.046 142 T CA 1.254 63.345 62.100 -0.014 0.000 1.139 142 T CB -0.053 68.905 68.868 0.150 0.000 0.871 142 T HN 0.221 nan 8.240 nan 0.000 0.454 143 K N 0.954 121.213 120.400 -0.235 0.000 2.097 143 K HA -0.123 4.197 4.320 0.001 0.000 0.206 143 K C 2.159 178.671 176.600 -0.148 0.000 1.049 143 K CA 1.285 57.449 56.287 -0.205 0.000 0.933 143 K CB 0.036 32.280 32.500 -0.426 0.000 0.717 143 K HN 0.416 nan 8.250 nan 0.000 0.442 144 E N 0.481 120.602 120.200 -0.132 0.000 2.015 144 E HA -0.213 4.138 4.350 0.001 0.000 0.191 144 E C 2.018 178.576 176.600 -0.071 0.000 0.991 144 E CA 1.208 57.557 56.400 -0.085 0.000 0.802 144 E CB -0.042 29.616 29.700 -0.070 0.000 0.759 144 E HN 0.230 nan 8.360 nan 0.000 0.447 145 K N 0.841 121.198 120.400 -0.071 0.000 2.089 145 K HA -0.246 4.074 4.320 0.001 0.000 0.210 145 K C 2.113 178.660 176.600 -0.089 0.000 1.048 145 K CA 1.449 57.697 56.287 -0.065 0.000 0.926 145 K CB -0.162 32.306 32.500 -0.054 0.000 0.714 145 K HN 0.102 nan 8.250 nan 0.000 0.448 146 A N 1.294 124.032 122.820 -0.136 0.000 1.865 146 A HA -0.220 4.100 4.320 0.001 0.000 0.217 146 A C 1.911 179.434 177.584 -0.101 0.000 1.191 146 A CA 1.904 53.822 52.037 -0.198 0.000 0.623 146 A CB -0.624 18.171 19.000 -0.342 0.000 0.826 146 A HN 0.515 nan 8.150 nan 0.000 0.444 147 E N -0.494 119.666 120.200 -0.066 0.000 2.085 147 E HA -0.146 4.205 4.350 0.001 0.000 0.194 147 E C 2.030 178.680 176.600 0.083 0.000 0.994 147 E CA 1.322 57.741 56.400 0.032 0.000 0.801 147 E CB -0.330 29.372 29.700 0.004 0.000 0.743 147 E HN 0.390 nan 8.360 nan 0.000 0.453 148 V N 1.485 121.411 119.914 0.021 0.000 2.233 148 V HA -0.284 3.836 4.120 0.001 0.000 0.247 148 V C 2.348 178.460 176.094 0.029 0.000 1.050 148 V CA 1.714 64.024 62.300 0.017 0.000 1.010 148 V CB -0.473 31.343 31.823 -0.011 0.000 0.637 148 V HN 0.269 nan 8.190 nan 0.000 0.444 149 L N -1.198 120.032 121.223 0.011 0.000 2.079 149 L HA -0.209 4.131 4.340 0.001 0.000 0.210 149 L C 2.397 179.319 176.870 0.087 0.000 1.081 149 L CA 1.713 56.564 54.840 0.020 0.000 0.752 149 L CB -0.719 41.312 42.059 -0.046 0.000 0.896 149 L HN 0.361 nan 8.230 nan 0.000 0.433 150 F N 1.292 121.190 119.950 -0.085 0.000 2.161 150 F HA -0.205 4.322 4.527 0.001 0.000 0.300 150 F C 2.311 178.165 175.800 0.090 0.000 1.089 150 F CA 1.100 59.081 58.000 -0.033 0.000 1.282 150 F CB -0.254 38.696 39.000 -0.084 0.000 1.010 150 F HN -0.001 nan 8.300 nan 0.000 0.485 151 A N 0.251 123.056 122.820 -0.025 0.000 2.239 151 A HA 0.176 4.496 4.320 0.001 0.000 0.209 151 A C 0.684 178.217 177.584 -0.086 0.000 1.171 151 A CA 0.204 52.175 52.037 -0.109 0.000 0.768 151 A CB -0.879 18.113 19.000 -0.014 0.000 0.790 151 A HN 0.292 nan 8.150 nan 0.000 0.478 152 L N 0.052 121.256 121.223 -0.032 0.000 2.334 152 L HA 0.384 4.724 4.340 0.001 0.000 0.276 152 L C -2.540 174.317 176.870 -0.021 0.000 1.014 152 L CA -2.484 52.347 54.840 -0.015 0.000 0.815 152 L CB 1.555 43.624 42.059 0.016 0.000 1.268 152 L HN -0.068 nan 8.230 nan 0.000 0.428 153 P HA 0.026 nan 4.420 nan 0.000 0.262 153 P C -2.250 174.960 177.300 -0.150 0.000 1.182 153 P CA -0.535 62.493 63.100 -0.120 0.000 0.761 153 P CB -0.219 31.429 31.700 -0.087 0.000 0.795 154 P HA 0.041 nan 4.420 nan 0.000 0.280 154 P C -0.597 176.598 177.300 -0.175 0.000 1.278 154 P CA -0.280 62.553 63.100 -0.445 0.000 0.787 154 P CB 0.400 31.572 31.700 -0.879 0.000 1.163 155 A N 0.480 123.241 122.820 -0.098 0.000 2.511 155 A HA 0.304 4.624 4.320 0.001 0.000 0.242 155 A C -2.021 175.527 177.584 -0.059 0.000 1.069 155 A CA -1.005 51.007 52.037 -0.043 0.000 0.763 155 A CB -1.609 17.386 19.000 -0.007 0.000 1.001 155 A HN 0.362 nan 8.150 nan 0.000 0.498 156 P HA 0.231 nan 4.420 nan 0.000 0.261 156 P C 1.069 178.350 177.300 -0.032 0.000 1.183 156 P CA 1.994 65.072 63.100 -0.038 0.000 0.761 156 P CB 0.615 32.302 31.700 -0.022 0.000 0.785 157 G N 2.007 110.786 108.800 -0.034 0.000 2.213 157 G HA2 -0.169 3.792 3.960 0.001 0.000 0.236 157 G HA3 -0.169 3.792 3.960 0.001 0.000 0.236 157 G C 0.031 174.920 174.900 -0.019 0.000 0.991 157 G CA -0.330 44.758 45.100 -0.021 0.000 0.629 157 G HN 0.487 nan 8.290 nan 0.000 0.517 158 D N 1.779 122.156 120.400 -0.037 0.000 2.340 158 D HA 0.530 5.170 4.640 0.001 0.000 0.251 158 D C -1.876 174.392 176.300 -0.053 0.000 1.080 158 D CA -1.036 52.944 54.000 -0.033 0.000 0.971 158 D CB 1.224 41.999 40.800 -0.040 0.000 1.137 158 D HN 0.184 nan 8.370 nan 0.000 0.475 159 P HA 0.190 nan 4.420 nan 0.000 0.275 159 P C -2.546 174.707 177.300 -0.078 0.000 1.227 159 P CA -1.042 62.045 63.100 -0.021 0.000 0.781 159 P CB 0.045 31.763 31.700 0.030 0.000 0.906 160 P HA -0.009 nan 4.420 nan 0.000 0.269 160 P C -0.534 176.742 177.300 -0.040 0.000 1.217 160 P CA 0.241 63.247 63.100 -0.156 0.000 0.783 160 P CB 0.168 31.819 31.700 -0.082 0.000 0.898 161 Y N -0.151 120.190 120.300 0.069 0.000 2.442 161 Y HA 0.293 4.843 4.550 0.001 0.000 0.330 161 Y C 1.951 177.979 175.900 0.213 0.000 1.129 161 Y CA 0.319 58.517 58.100 0.163 0.000 1.365 161 Y CB -0.205 38.419 38.460 0.274 0.000 1.233 161 Y HN 0.493 nan 8.280 nan 0.000 0.529 162 G N 1.583 110.595 108.800 0.353 0.000 2.986 162 G HA2 0.105 4.066 3.960 0.001 0.000 0.213 162 G HA3 0.105 4.066 3.960 0.001 0.000 0.213 162 G C 0.035 175.090 174.900 0.257 0.000 1.156 162 G CA 0.029 45.285 45.100 0.260 0.000 0.763 162 G HN 0.574 nan 8.290 nan 0.000 0.547 163 E N -0.806 119.551 120.200 0.261 0.000 2.392 163 E HA 0.280 4.630 4.350 0.001 0.000 0.279 163 E C 0.488 176.941 176.600 -0.245 0.000 0.964 163 E CA -0.805 55.612 56.400 0.029 0.000 0.777 163 E CB 1.640 31.375 29.700 0.058 0.000 1.249 163 E HN -0.115 nan 8.360 nan 0.000 0.449 164 L N 3.643 124.467 121.223 -0.666 0.000 2.051 164 L HA -0.196 4.144 4.340 0.001 0.000 0.214 164 L C 1.827 178.430 176.870 -0.444 0.000 1.076 164 L CA 2.190 56.514 54.840 -0.860 0.000 0.758 164 L CB -0.772 40.937 42.059 -0.583 0.000 0.890 164 L HN 0.798 nan 8.230 nan 0.000 0.433 165 Y N 0.477 120.554 120.300 -0.372 0.000 2.274 165 Y HA -0.256 4.294 4.550 0.001 0.000 0.290 165 Y C 2.225 177.972 175.900 -0.256 0.000 1.145 165 Y CA 1.934 59.825 58.100 -0.348 0.000 1.203 165 Y CB -0.379 38.002 38.460 -0.132 0.000 0.984 165 Y HN 0.358 nan 8.280 nan 0.000 0.533 166 D N -0.037 120.282 120.400 -0.135 0.000 2.221 166 D HA -0.209 4.431 4.640 0.001 0.000 0.204 166 D C 2.239 178.261 176.300 -0.463 0.000 0.982 166 D CA 1.268 55.184 54.000 -0.141 0.000 0.857 166 D CB -0.448 40.440 40.800 0.148 0.000 0.934 166 D HN 0.506 nan 8.370 nan 0.000 0.475 167 A N 0.667 123.063 122.820 -0.708 0.000 1.877 167 A HA -0.125 4.195 4.320 0.001 0.000 0.216 167 A C 2.395 179.696 177.584 -0.472 0.000 1.186 167 A CA 0.928 52.493 52.037 -0.787 0.000 0.620 167 A CB -0.704 17.964 19.000 -0.553 0.000 0.822 167 A HN 0.217 nan 8.150 nan 0.000 0.443 168 L N -1.129 119.796 121.223 -0.496 0.000 2.109 168 L HA -0.104 4.237 4.340 0.001 0.000 0.207 168 L C 2.505 179.178 176.870 -0.328 0.000 1.086 168 L CA 0.759 55.356 54.840 -0.406 0.000 0.760 168 L CB -0.562 41.214 42.059 -0.471 0.000 0.910 168 L HN 0.408 nan 8.230 nan 0.000 0.437 169 L N 0.556 121.522 121.223 -0.428 0.000 2.083 169 L HA -0.216 4.125 4.340 0.001 0.000 0.209 169 L C 1.945 178.778 176.870 -0.062 0.000 1.083 169 L CA 1.893 56.613 54.840 -0.199 0.000 0.752 169 L CB -0.740 41.191 42.059 -0.215 0.000 0.899 169 L HN 0.203 nan 8.230 nan 0.000 0.433 170 D N -1.020 119.327 120.400 -0.088 0.000 2.178 170 D HA -0.134 4.506 4.640 0.001 0.000 0.201 170 D C 2.189 178.458 176.300 -0.052 0.000 0.980 170 D CA 1.231 55.239 54.000 0.014 0.000 0.842 170 D CB -0.249 40.633 40.800 0.137 0.000 0.948 170 D HN 0.436 nan 8.370 nan 0.000 0.472 171 G N -1.044 107.640 108.800 -0.194 0.000 2.418 171 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 171 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 171 G C 1.102 175.787 174.900 -0.359 0.000 1.158 171 G CA 0.932 45.830 45.100 -0.337 0.000 0.771 171 G HN 0.328 nan 8.290 nan 0.000 0.545 172 Y N -0.245 120.044 120.300 -0.019 0.000 2.397 172 Y HA 0.342 4.892 4.550 0.001 0.000 0.292 172 Y C 0.919 176.798 175.900 -0.036 0.000 1.115 172 Y CA 0.393 58.462 58.100 -0.052 0.000 1.208 172 Y CB 0.497 38.883 38.460 -0.124 0.000 1.046 172 Y HN 0.129 nan 8.280 nan 0.000 0.552 173 E N 0.499 120.774 120.200 0.126 0.000 2.518 173 E HA 0.342 4.692 4.350 0.001 0.000 0.240 173 E C -2.942 173.726 176.600 0.112 0.000 0.996 173 E CA -3.114 53.364 56.400 0.129 0.000 0.768 173 E CB 0.812 30.606 29.700 0.156 0.000 1.329 173 E HN -0.164 nan 8.360 nan 0.000 0.408 174 P HA 0.052 nan 4.420 nan 0.000 0.253 174 P C 0.597 177.955 177.300 0.098 0.000 1.159 174 P CA 1.395 64.544 63.100 0.082 0.000 0.779 174 P CB 0.496 32.234 31.700 0.065 0.000 0.745 175 G N 2.029 110.893 108.800 0.107 0.000 2.143 175 G HA2 -0.286 3.675 3.960 0.001 0.000 0.249 175 G HA3 -0.286 3.675 3.960 0.001 0.000 0.249 175 G C 0.007 174.985 174.900 0.131 0.000 0.981 175 G CA -0.041 45.123 45.100 0.107 0.000 0.665 175 G HN 0.540 nan 8.290 nan 0.000 0.528 176 M N 1.289 120.979 119.600 0.150 0.000 2.209 176 M HA 0.739 5.220 4.480 0.001 0.000 0.355 176 M C 0.152 176.558 176.300 0.175 0.000 1.171 176 M CA -1.112 54.286 55.300 0.164 0.000 1.069 176 M CB 0.644 33.349 32.600 0.175 0.000 1.622 176 M HN 0.142 nan 8.290 nan 0.000 0.459 177 R N 3.382 123.989 120.500 0.178 0.000 2.807 177 R HA 0.646 4.986 4.340 0.001 0.000 0.276 177 R C 0.557 176.972 176.300 0.192 0.000 0.979 177 R CA -0.131 56.086 56.100 0.194 0.000 0.928 177 R CB 0.742 31.153 30.300 0.186 0.000 1.191 177 R HN 0.887 nan 8.270 nan 0.000 0.471 178 A N 2.096 125.043 122.820 0.212 0.000 1.958 178 A HA -0.242 4.078 4.320 0.001 0.000 0.221 178 A C 1.875 179.542 177.584 0.138 0.000 1.178 178 A CA 1.626 53.773 52.037 0.183 0.000 0.642 178 A CB -0.357 18.742 19.000 0.165 0.000 0.816 178 A HN 0.690 nan 8.150 nan 0.000 0.453 179 R N -0.408 120.171 120.500 0.131 0.000 2.139 179 R HA -0.179 4.161 4.340 0.001 0.000 0.243 179 R C 1.911 178.277 176.300 0.109 0.000 1.145 179 R CA 1.700 57.865 56.100 0.108 0.000 0.976 179 R CB -0.313 30.049 30.300 0.103 0.000 0.866 179 R HN 0.737 nan 8.270 nan 0.000 0.449 180 E N 0.320 120.595 120.200 0.126 0.000 2.140 180 E HA -0.012 4.338 4.350 0.001 0.000 0.191 180 E C 2.037 178.724 176.600 0.146 0.000 0.973 180 E CA 0.405 56.879 56.400 0.124 0.000 0.829 180 E CB 0.096 29.872 29.700 0.128 0.000 0.781 180 E HN 0.226 nan 8.360 nan 0.000 0.466 181 L N 0.853 122.185 121.223 0.181 0.000 2.027 181 L HA -0.154 4.186 4.340 0.001 0.000 0.206 181 L C 2.544 179.579 176.870 0.276 0.000 1.074 181 L CA 0.469 55.465 54.840 0.260 0.000 0.745 181 L CB -0.432 41.787 42.059 0.266 0.000 0.898 181 L HN 0.205 nan 8.230 nan 0.000 0.433 182 L N 1.150 122.475 121.223 0.170 0.000 2.010 182 L HA -0.195 4.145 4.340 0.001 0.000 0.219 182 L C -0.481 176.477 176.870 0.146 0.000 1.077 182 L CA 2.443 57.362 54.840 0.132 0.000 0.773 182 L CB -1.823 40.285 42.059 0.080 0.000 0.892 182 L HN 0.085 nan 8.230 nan 0.000 0.436 183 P HA -0.106 nan 4.420 nan 0.000 0.219 183 P C 2.160 179.513 177.300 0.089 0.000 1.150 183 P CA 1.347 64.501 63.100 0.092 0.000 0.814 183 P CB -0.017 31.728 31.700 0.074 0.000 0.787 184 L N -2.772 118.513 121.223 0.103 0.000 2.056 184 L HA -0.121 4.219 4.340 0.001 0.000 0.207 184 L C 2.191 179.043 176.870 -0.030 0.000 1.078 184 L CA 1.358 56.213 54.840 0.026 0.000 0.749 184 L CB -0.684 41.372 42.059 -0.004 0.000 0.901 184 L HN -0.083 nan 8.230 nan 0.000 0.433 185 F N -0.486 119.466 119.950 0.002 0.000 2.293 185 F HA -0.077 4.450 4.527 0.001 0.000 0.297 185 F C 2.487 178.279 175.800 -0.014 0.000 1.089 185 F CA 0.952 58.943 58.000 -0.016 0.000 1.377 185 F CB -0.466 38.514 39.000 -0.032 0.000 1.051 185 F HN -0.015 nan 8.300 nan 0.000 0.511 186 A N -0.391 122.529 122.820 0.167 0.000 1.877 186 A HA -0.213 4.108 4.320 0.001 0.000 0.216 186 A C 2.181 179.800 177.584 0.060 0.000 1.186 186 A CA 1.793 53.889 52.037 0.099 0.000 0.620 186 A CB -0.770 18.278 19.000 0.080 0.000 0.822 186 A HN 0.379 nan 8.150 nan 0.000 0.443 187 E N -0.827 119.400 120.200 0.045 0.000 2.106 187 E HA -0.171 4.179 4.350 0.001 0.000 0.192 187 E C 1.911 178.520 176.600 0.016 0.000 0.984 187 E CA 1.167 57.583 56.400 0.026 0.000 0.806 187 E CB -0.122 29.591 29.700 0.022 0.000 0.750 187 E HN 0.480 nan 8.360 nan 0.000 0.458 188 L N 1.401 122.622 121.223 -0.004 0.000 2.093 188 L HA -0.137 4.204 4.340 0.001 0.000 0.208 188 L C 2.275 179.149 176.870 0.006 0.000 1.085 188 L CA 1.729 56.562 54.840 -0.011 0.000 0.755 188 L CB -0.286 41.699 42.059 -0.124 0.000 0.904 188 L HN -0.075 nan 8.230 nan 0.000 0.435 189 K N -0.414 119.999 120.400 0.022 0.000 2.002 189 K HA -0.272 4.048 4.320 0.001 0.000 0.209 189 K C 2.148 178.760 176.600 0.020 0.000 1.048 189 K CA 1.917 58.221 56.287 0.028 0.000 0.930 189 K CB -0.200 32.333 32.500 0.056 0.000 0.714 189 K HN 0.463 nan 8.250 nan 0.000 0.438 190 E N -0.663 119.549 120.200 0.022 0.000 2.038 190 E HA -0.172 4.179 4.350 0.001 0.000 0.195 190 E C 1.918 178.516 176.600 -0.004 0.000 1.000 190 E CA 1.666 58.072 56.400 0.011 0.000 0.803 190 E CB -0.385 29.323 29.700 0.013 0.000 0.750 190 E HN 0.490 nan 8.360 nan 0.000 0.448 191 G N 0.978 109.775 108.800 -0.005 0.000 2.446 191 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 191 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 191 G C 1.570 176.444 174.900 -0.043 0.000 1.168 191 G CA 0.954 46.041 45.100 -0.022 0.000 0.771 191 G HN 0.210 nan 8.290 nan 0.000 0.551 192 L N -0.350 120.852 121.223 -0.035 0.000 1.988 192 L HA -0.024 4.316 4.340 0.001 0.000 0.207 192 L C 2.832 179.666 176.870 -0.060 0.000 1.071 192 L CA 1.471 56.277 54.840 -0.057 0.000 0.744 192 L CB -0.422 41.621 42.059 -0.027 0.000 0.893 192 L HN 0.119 nan 8.230 nan 0.000 0.433 193 K N 0.422 120.801 120.400 -0.036 0.000 2.144 193 K HA -0.190 4.130 4.320 0.001 0.000 0.209 193 K C 1.854 178.428 176.600 -0.043 0.000 1.047 193 K CA 1.595 57.861 56.287 -0.034 0.000 0.927 193 K CB -0.782 31.710 32.500 -0.014 0.000 0.716 193 K HN 0.400 nan 8.250 nan 0.000 0.454 194 G N 0.300 109.076 108.800 -0.040 0.000 2.434 194 G HA2 -0.232 3.728 3.960 0.001 0.000 0.214 194 G HA3 -0.232 3.728 3.960 0.001 0.000 0.214 194 G C 1.393 176.262 174.900 -0.051 0.000 1.202 194 G CA 0.776 45.853 45.100 -0.039 0.000 0.788 194 G HN 0.306 nan 8.290 nan 0.000 0.539 195 L N 0.061 121.242 121.223 -0.070 0.000 2.079 195 L HA 0.023 4.363 4.340 0.001 0.000 0.210 195 L C 2.557 179.368 176.870 -0.099 0.000 1.081 195 L CA 1.356 56.145 54.840 -0.085 0.000 0.752 195 L CB -0.483 41.498 42.059 -0.129 0.000 0.896 195 L HN 0.164 nan 8.230 nan 0.000 0.433 196 L N -0.568 120.588 121.223 -0.111 0.000 2.127 196 L HA -0.242 4.098 4.340 0.001 0.000 0.211 196 L C 2.186 178.998 176.870 -0.098 0.000 1.089 196 L CA 1.772 56.539 54.840 -0.122 0.000 0.757 196 L CB -0.886 41.111 42.059 -0.103 0.000 0.899 196 L HN 0.400 nan 8.230 nan 0.000 0.434 197 D N -0.577 119.782 120.400 -0.069 0.000 2.075 197 D HA -0.162 4.478 4.640 0.001 0.000 0.196 197 D C 2.049 178.323 176.300 -0.043 0.000 0.985 197 D CA 1.131 55.102 54.000 -0.050 0.000 0.834 197 D CB 0.003 40.782 40.800 -0.035 0.000 0.987 197 D HN 0.331 nan 8.370 nan 0.000 0.452 198 R N 0.381 120.862 120.500 -0.033 0.000 2.371 198 R HA -0.117 4.223 4.340 0.001 0.000 0.226 198 R C 1.898 178.194 176.300 -0.006 0.000 1.132 198 R CA 0.330 56.424 56.100 -0.010 0.000 1.027 198 R CB 0.075 30.374 30.300 -0.001 0.000 0.848 198 R HN 0.312 nan 8.270 nan 0.000 0.479 199 I N 0.110 120.643 120.570 -0.061 0.000 2.368 199 I HA -0.158 4.013 4.170 0.001 0.000 0.238 199 I C 2.183 178.226 176.117 -0.122 0.000 1.076 199 I CA 0.589 61.806 61.300 -0.138 0.000 1.397 199 I CB -1.122 36.697 38.000 -0.302 0.000 1.141 199 I HN 0.119 nan 8.210 nan 0.000 0.430 200 L N 1.815 122.966 121.223 -0.119 0.000 2.187 200 L HA -0.087 4.253 4.340 0.001 0.000 0.213 200 L C 2.188 179.052 176.870 -0.010 0.000 1.100 200 L CA 1.975 56.776 54.840 -0.064 0.000 0.765 200 L CB -1.248 40.778 42.059 -0.055 0.000 0.904 200 L HN 0.247 nan 8.230 nan 0.000 0.437 201 G N -1.546 107.251 108.800 -0.006 0.000 2.408 201 G HA2 -0.192 3.768 3.960 0.001 0.000 0.217 201 G HA3 -0.192 3.768 3.960 0.001 0.000 0.217 201 G C 1.060 175.985 174.900 0.043 0.000 1.150 201 G CA 0.660 45.769 45.100 0.015 0.000 0.776 201 G HN 0.483 nan 8.290 nan 0.000 0.542 202 S N -0.622 115.122 115.700 0.074 0.000 2.606 202 S HA 0.426 4.897 4.470 0.001 0.000 0.257 202 S C 1.614 176.288 174.600 0.122 0.000 1.327 202 S CA 0.362 58.631 58.200 0.115 0.000 0.984 202 S CB 1.133 64.453 63.200 0.199 0.000 0.941 202 S HN 0.289 nan 8.310 nan 0.000 0.576 203 G N 0.805 109.672 108.800 0.111 0.000 2.939 203 G HA2 0.160 4.120 3.960 0.001 0.000 0.216 203 G HA3 0.160 4.120 3.960 0.001 0.000 0.216 203 G C -0.094 174.864 174.900 0.097 0.000 1.125 203 G CA -0.294 44.858 45.100 0.087 0.000 0.766 203 G HN 0.560 nan 8.290 nan 0.000 0.541 204 K N 1.357 121.830 120.400 0.121 0.000 2.448 204 K HA 0.344 4.665 4.320 0.001 0.000 0.278 204 K C -0.122 176.567 176.600 0.147 0.000 1.009 204 K CA 0.248 56.547 56.287 0.019 0.000 0.995 204 K CB 0.896 33.381 32.500 -0.026 0.000 0.917 204 K HN 0.027 nan 8.250 nan 0.000 0.481 205 R N 1.949 122.423 120.500 -0.044 0.000 2.808 205 R HA 0.307 4.647 4.340 0.001 0.000 0.272 205 R C -1.673 174.707 176.300 0.134 0.000 0.995 205 R CA -2.025 54.184 56.100 0.181 0.000 0.917 205 R CB 1.051 31.448 30.300 0.161 0.000 1.217 205 R HN 0.374 nan 8.270 nan 0.000 0.471 206 P HA -0.174 nan 4.420 nan 0.000 0.202 206 P C -0.319 177.108 177.300 0.211 0.000 1.149 206 P CA 1.318 64.709 63.100 0.485 0.000 0.931 206 P CB 0.278 32.170 31.700 0.320 0.000 0.762 207 D N -2.458 118.029 120.400 0.145 0.000 2.892 207 D HA -0.079 4.561 4.640 0.001 0.000 0.224 207 D C 0.545 176.908 176.300 0.104 0.000 1.057 207 D CA 0.959 55.015 54.000 0.093 0.000 0.779 207 D CB -2.313 38.518 40.800 0.053 0.000 1.069 207 D HN 0.287 nan 8.370 nan 0.000 0.441 208 T N -3.352 111.273 114.554 0.118 0.000 3.118 208 T HA -0.087 4.263 4.350 0.001 0.000 0.269 208 T C 1.870 176.648 174.700 0.130 0.000 1.166 208 T CA 1.312 63.474 62.100 0.102 0.000 1.073 208 T CB -0.086 68.859 68.868 0.129 0.000 0.884 208 T HN 0.170 nan 8.240 nan 0.000 0.550 209 S N 1.702 117.482 115.700 0.134 0.000 2.368 209 S HA -0.016 4.454 4.470 0.001 0.000 0.225 209 S C 1.855 176.543 174.600 0.147 0.000 1.030 209 S CA 1.280 59.568 58.200 0.146 0.000 0.999 209 S CB -0.479 62.777 63.200 0.093 0.000 0.844 209 S HN 0.581 nan 8.310 nan 0.000 0.459 210 I N 1.367 122.015 120.570 0.129 0.000 2.113 210 I HA -0.227 3.944 4.170 0.001 0.000 0.242 210 I C 1.711 177.983 176.117 0.259 0.000 1.064 210 I CA 1.029 62.438 61.300 0.182 0.000 1.320 210 I CB -0.542 37.567 38.000 0.182 0.000 1.028 210 I HN 0.205 nan 8.210 nan 0.000 0.406 211 L N -0.025 121.238 121.223 0.066 0.000 2.551 211 L HA -0.183 4.158 4.340 0.001 0.000 0.230 211 L C 1.777 178.489 176.870 -0.263 0.000 1.163 211 L CA 1.693 56.472 54.840 -0.102 0.000 0.826 211 L CB -1.184 40.744 42.059 -0.218 0.000 0.943 211 L HN 0.364 nan 8.230 nan 0.000 0.452 212 H N -1.941 117.172 119.070 0.072 0.000 2.674 212 H HA 0.291 4.848 4.556 0.001 0.000 0.274 212 H C 1.021 176.439 175.328 0.149 0.000 1.121 212 H CA -0.217 55.845 56.048 0.024 0.000 1.132 212 H CB 0.527 30.218 29.762 -0.118 0.000 1.606 212 H HN 0.289 nan 8.280 nan 0.000 0.558 213 R N 0.718 121.407 120.500 0.314 0.000 3.141 213 R HA 0.044 4.384 4.340 0.001 0.000 0.244 213 R C -1.214 175.161 176.300 0.124 0.000 1.161 213 R CA -1.244 54.937 56.100 0.135 0.000 1.091 213 R CB -0.290 29.991 30.300 -0.031 0.000 0.957 213 R HN 0.009 nan 8.270 nan 0.000 0.512 214 P HA -0.147 nan 4.420 nan 0.000 0.205 214 P C -0.756 176.661 177.300 0.195 0.000 1.193 214 P CA 1.196 64.315 63.100 0.032 0.000 0.929 214 P CB 0.014 31.688 31.700 -0.044 0.000 0.772 215 Y N -2.404 118.074 120.300 0.297 0.000 2.900 215 Y HA -0.134 4.417 4.550 0.000 0.000 0.132 215 Y C -1.970 174.170 175.900 0.400 0.000 1.815 215 Y CA -1.052 57.329 58.100 0.467 0.000 1.009 215 Y CB -2.075 36.629 38.460 0.406 0.000 1.622 215 Y HN 0.204 nan 8.280 nan 0.000 0.332 216 P HA 0.198 nan 4.420 nan 0.000 0.276 216 P C 0.368 177.803 177.300 0.226 0.000 1.230 216 P CA -0.090 63.155 63.100 0.241 0.000 0.776 216 P CB 1.470 33.232 31.700 0.104 0.000 0.888 217 V N 3.309 123.330 119.914 0.177 0.000 3.484 217 V HA -0.098 4.022 4.120 0.001 0.000 0.304 217 V C 1.859 177.958 176.094 0.009 0.000 1.116 217 V CA 0.784 63.150 62.300 0.110 0.000 1.187 217 V CB -0.521 31.370 31.823 0.115 0.000 1.062 217 V HN 0.804 nan 8.190 nan 0.000 0.489 218 E N -0.018 120.126 120.200 -0.093 0.000 4.724 218 E HA -0.363 3.987 4.350 0.001 0.000 0.169 218 E C 1.593 178.121 176.600 -0.119 0.000 1.223 218 E CA 1.988 58.327 56.400 -0.102 0.000 2.386 218 E CB -1.602 28.071 29.700 -0.044 0.000 1.790 218 E HN 0.936 nan 8.360 nan 0.000 0.449 219 A N 1.361 124.122 122.820 -0.098 0.000 1.883 219 A HA -0.263 4.058 4.320 0.001 0.000 0.217 219 A C 2.142 179.678 177.584 -0.080 0.000 1.186 219 A CA 3.138 55.059 52.037 -0.193 0.000 0.624 219 A CB -0.757 18.025 19.000 -0.364 0.000 0.822 219 A HN 0.608 nan 8.150 nan 0.000 0.444 220 Q N -1.008 118.853 119.800 0.101 0.000 2.187 220 Q HA -0.097 4.243 4.340 0.001 0.000 0.199 220 Q C 2.194 178.055 176.000 -0.233 0.000 0.957 220 Q CA 1.015 56.978 55.803 0.267 0.000 0.857 220 Q CB -0.426 28.504 28.738 0.321 0.000 0.929 220 Q HN 0.663 nan 8.270 nan 0.000 0.453 221 R N 1.388 121.498 120.500 -0.649 0.000 2.091 221 R HA -0.132 4.208 4.340 0.001 0.000 0.238 221 R C 2.189 178.357 176.300 -0.220 0.000 1.136 221 R CA 1.801 57.451 56.100 -0.751 0.000 0.959 221 R CB -0.003 30.023 30.300 -0.457 0.000 0.856 221 R HN 0.306 nan 8.270 nan 0.000 0.437 222 R N -0.820 119.621 120.500 -0.099 0.000 2.148 222 R HA -0.094 4.247 4.340 0.001 0.000 0.223 222 R C 2.171 178.525 176.300 0.089 0.000 1.088 222 R CA 1.000 57.098 56.100 -0.003 0.000 0.985 222 R CB -0.400 29.897 30.300 -0.005 0.000 0.880 222 R HN 0.225 nan 8.270 nan 0.000 0.451 223 F N 2.122 122.052 119.950 -0.034 0.000 2.163 223 F HA 0.015 4.542 4.527 0.000 0.000 0.297 223 F C 2.278 178.080 175.800 0.003 0.000 1.094 223 F CA 0.758 58.788 58.000 0.049 0.000 1.290 223 F CB -0.625 38.518 39.000 0.237 0.000 1.017 223 F HN -0.037 nan 8.300 nan 0.000 0.483 224 A N 1.232 123.967 122.820 -0.141 0.000 1.873 224 A HA -0.207 4.113 4.320 0.001 0.000 0.218 224 A C 2.385 179.852 177.584 -0.196 0.000 1.193 224 A CA 2.144 54.046 52.037 -0.225 0.000 0.629 224 A CB -1.407 17.599 19.000 0.011 0.000 0.826 224 A HN 0.484 nan 8.150 nan 0.000 0.447 225 L N -0.560 120.614 121.223 -0.081 0.000 2.089 225 L HA -0.298 4.042 4.340 0.001 0.000 0.213 225 L C 2.626 179.456 176.870 -0.065 0.000 1.079 225 L CA 2.010 56.828 54.840 -0.037 0.000 0.758 225 L CB -0.822 41.242 42.059 0.009 0.000 0.891 225 L HN 0.533 nan 8.230 nan 0.000 0.433 226 E N 0.049 120.191 120.200 -0.097 0.000 2.110 226 E HA -0.205 4.145 4.350 0.001 0.000 0.193 226 E C 2.334 178.803 176.600 -0.218 0.000 0.988 226 E CA 1.040 57.386 56.400 -0.090 0.000 0.804 226 E CB -0.162 29.522 29.700 -0.028 0.000 0.745 226 E HN 0.504 nan 8.360 nan 0.000 0.458 227 L N 0.810 121.776 121.223 -0.429 0.000 1.976 227 L HA -0.203 4.137 4.340 0.001 0.000 0.209 227 L C 2.600 179.314 176.870 -0.261 0.000 1.071 227 L CA 1.041 55.560 54.840 -0.535 0.000 0.746 227 L CB -0.633 41.074 42.059 -0.587 0.000 0.890 227 L HN 0.172 nan 8.230 nan 0.000 0.432 228 L N -0.644 120.469 121.223 -0.184 0.000 2.043 228 L HA -0.253 4.087 4.340 0.001 0.000 0.212 228 L C 2.891 179.763 176.870 0.004 0.000 1.075 228 L CA 1.595 56.382 54.840 -0.089 0.000 0.752 228 L CB -0.790 41.256 42.059 -0.023 0.000 0.891 228 L HN 0.335 nan 8.230 nan 0.000 0.432 229 S N -0.091 115.614 115.700 0.008 0.000 2.356 229 S HA -0.195 4.276 4.470 0.001 0.000 0.223 229 S C 2.131 176.768 174.600 0.061 0.000 1.032 229 S CA 1.379 59.602 58.200 0.037 0.000 1.005 229 S CB -0.084 63.136 63.200 0.035 0.000 0.867 229 S HN 0.445 nan 8.310 nan 0.000 0.449 230 A N 0.068 122.931 122.820 0.072 0.000 1.930 230 A HA -0.073 4.248 4.320 0.001 0.000 0.217 230 A C 2.346 180.066 177.584 0.228 0.000 1.175 230 A CA 1.538 53.707 52.037 0.220 0.000 0.627 230 A CB -1.200 18.024 19.000 0.373 0.000 0.815 230 A HN 0.722 nan 8.150 nan 0.000 0.443 231 C N -1.074 118.222 119.300 -0.006 0.000 2.539 231 C HA 0.418 4.878 4.460 0.001 0.000 0.271 231 C C 1.906 176.825 174.990 -0.117 0.000 1.412 231 C CA 0.305 59.240 59.018 -0.138 0.000 1.729 231 C CB -1.236 26.262 27.740 -0.402 0.000 1.739 231 C HN 1.099 nan 8.230 nan 0.000 0.570 232 G N -0.462 108.332 108.800 -0.010 0.000 2.134 232 G HA2 -0.275 3.685 3.960 0.001 0.000 0.209 232 G HA3 -0.275 3.685 3.960 0.001 0.000 0.209 232 G C -0.091 174.792 174.900 -0.028 0.000 0.993 232 G CA -0.032 45.065 45.100 -0.005 0.000 0.669 232 G HN 0.577 nan 8.290 nan 0.000 0.519 233 Y N 2.258 122.464 120.300 -0.158 0.000 2.486 233 Y HA 0.500 5.051 4.550 0.001 0.000 0.348 233 Y C 0.353 176.201 175.900 -0.087 0.000 1.000 233 Y CA -1.370 56.643 58.100 -0.146 0.000 1.253 233 Y CB 0.804 39.164 38.460 -0.166 0.000 1.140 233 Y HN 0.136 nan 8.280 nan 0.000 0.526 234 D N 6.569 126.634 120.400 -0.558 0.000 2.357 234 D HA -0.072 4.568 4.640 0.001 0.000 0.265 234 D C 0.865 176.718 176.300 -0.744 0.000 1.334 234 D CA 0.221 53.925 54.000 -0.493 0.000 0.984 234 D CB 0.525 41.138 40.800 -0.312 0.000 1.077 234 D HN 0.775 nan 8.370 nan 0.000 0.514 235 L N 4.184 125.106 121.223 -0.502 0.000 2.275 235 L HA -0.069 4.271 4.340 0.001 0.000 0.215 235 L C 1.681 178.416 176.870 -0.225 0.000 1.119 235 L CA 1.558 56.192 54.840 -0.344 0.000 0.790 235 L CB -0.231 41.763 42.059 -0.110 0.000 0.919 235 L HN 0.417 nan 8.230 nan 0.000 0.443 236 E N -1.054 119.025 120.200 -0.201 0.000 2.511 236 E HA 0.073 4.423 4.350 0.001 0.000 0.196 236 E C 1.087 177.594 176.600 -0.157 0.000 1.066 236 E CA 0.553 56.869 56.400 -0.141 0.000 0.871 236 E CB 0.088 29.723 29.700 -0.108 0.000 0.863 236 E HN 0.518 nan 8.360 nan 0.000 0.520 237 A N 0.859 123.546 122.820 -0.220 0.000 2.631 237 A HA 0.530 4.850 4.320 0.001 0.000 0.294 237 A C 0.397 177.870 177.584 -0.186 0.000 1.156 237 A CA 0.192 52.113 52.037 -0.193 0.000 0.963 237 A CB 0.698 19.584 19.000 -0.190 0.000 1.202 237 A HN 0.197 nan 8.150 nan 0.000 0.523 238 G N -0.010 108.690 108.800 -0.167 0.000 2.428 238 G HA2 0.579 4.539 3.960 0.001 0.000 0.304 238 G HA3 0.579 4.539 3.960 0.001 0.000 0.304 238 G C -1.284 173.619 174.900 0.005 0.000 1.303 238 G CA -0.302 44.765 45.100 -0.055 0.000 0.825 238 G HN 0.873 nan 8.290 nan 0.000 0.484 239 R N -1.514 119.040 120.500 0.091 0.000 2.692 239 R HA 0.752 5.093 4.340 0.001 0.000 0.269 239 R C -2.167 174.228 176.300 0.158 0.000 1.030 239 R CA -0.937 55.231 56.100 0.114 0.000 0.882 239 R CB 1.206 31.552 30.300 0.076 0.000 1.250 239 R HN 0.420 nan 8.270 nan 0.000 0.465 240 L N 1.250 122.560 121.223 0.144 0.000 2.346 240 L HA 0.593 4.933 4.340 0.001 0.000 0.276 240 L C -0.937 176.000 176.870 0.112 0.000 1.006 240 L CA -0.174 54.731 54.840 0.108 0.000 0.817 240 L CB 2.002 44.115 42.059 0.089 0.000 1.272 240 L HN 0.648 nan 8.230 nan 0.000 0.421 241 D N 2.121 122.565 120.400 0.072 0.000 2.736 241 D HA 0.330 4.970 4.640 0.001 0.000 0.223 241 D C -2.767 173.507 176.300 -0.043 0.000 1.231 241 D CA -1.164 52.858 54.000 0.036 0.000 0.818 241 D CB 2.472 43.299 40.800 0.046 0.000 1.587 241 D HN 0.113 nan 8.370 nan 0.000 0.463 242 P HA 0.204 nan 4.420 nan 0.000 0.269 242 P C -0.404 176.830 177.300 -0.110 0.000 1.209 242 P CA 0.207 63.264 63.100 -0.072 0.000 0.776 242 P CB 0.834 32.513 31.700 -0.036 0.000 0.876 243 T N 0.041 114.524 114.554 -0.118 0.000 2.739 243 T HA 0.548 4.898 4.350 0.001 0.000 0.303 243 T C 0.677 175.312 174.700 -0.108 0.000 1.389 243 T CA 0.111 62.160 62.100 -0.085 0.000 1.001 243 T CB 0.665 69.513 68.868 -0.033 0.000 1.436 243 T HN 0.129 nan 8.240 nan 0.000 0.500 244 A N 0.718 123.471 122.820 -0.110 0.000 1.840 244 A HA 0.175 4.495 4.320 0.001 0.000 0.214 244 A C 0.277 177.594 177.584 -0.444 0.000 1.198 244 A CA 1.340 53.183 52.037 -0.324 0.000 0.608 244 A CB -0.804 17.953 19.000 -0.405 0.000 0.839 244 A HN 0.848 nan 8.150 nan 0.000 0.443 245 H N -0.402 118.734 119.070 0.111 0.000 2.697 245 H HA 0.460 5.016 4.556 0.001 0.000 0.270 245 H C -2.762 172.707 175.328 0.235 0.000 1.188 245 H CA -2.330 53.806 56.048 0.146 0.000 1.322 245 H CB 0.017 29.859 29.762 0.134 0.000 1.405 245 H HN 0.200 nan 8.280 nan 0.000 0.502 246 P HA -0.092 nan 4.420 nan 0.000 0.264 246 P C -0.700 176.793 177.300 0.322 0.000 1.173 246 P CA 0.599 63.780 63.100 0.134 0.000 0.761 246 P CB 0.387 32.100 31.700 0.023 0.000 0.794 247 F N -1.197 118.805 119.950 0.087 0.000 2.926 247 F HA 0.680 5.207 4.527 0.001 0.000 0.321 247 F C -1.496 174.359 175.800 0.092 0.000 1.168 247 F CA -1.088 56.972 58.000 0.101 0.000 0.890 247 F CB 1.293 40.343 39.000 0.082 0.000 1.357 247 F HN 0.175 nan 8.300 nan 0.000 0.468 248 E N 1.651 121.990 120.200 0.232 0.000 2.293 248 E HA 0.619 4.969 4.350 0.001 0.000 0.270 248 E C -2.047 174.701 176.600 0.248 0.000 0.879 248 E CA -0.662 55.796 56.400 0.097 0.000 0.756 248 E CB 2.634 32.397 29.700 0.104 0.000 1.208 248 E HN 0.853 nan 8.360 nan 0.000 0.428 249 I N 2.376 123.064 120.570 0.196 0.000 2.607 249 I HA 0.524 4.694 4.170 0.001 0.000 0.290 249 I C -1.206 174.978 176.117 0.111 0.000 1.129 249 I CA -0.573 60.864 61.300 0.228 0.000 1.042 249 I CB 1.687 39.945 38.000 0.430 0.000 1.242 249 I HN 0.647 nan 8.210 nan 0.000 0.421 250 A N 7.306 130.180 122.820 0.090 0.000 2.320 250 A HA 0.533 4.853 4.320 0.001 0.000 0.287 250 A C 0.432 178.057 177.584 0.069 0.000 1.181 250 A CA -0.310 51.769 52.037 0.070 0.000 0.831 250 A CB 0.401 19.458 19.000 0.094 0.000 1.102 250 A HN 0.833 nan 8.150 nan 0.000 0.513 251 I N 1.692 122.261 120.570 -0.002 0.000 2.927 251 I HA 0.304 4.474 4.170 0.001 0.000 0.268 251 I C 1.279 177.351 176.117 -0.074 0.000 1.153 251 I CA 1.062 62.342 61.300 -0.033 0.000 1.459 251 I CB 0.287 38.206 38.000 -0.135 0.000 1.149 251 I HN 0.777 nan 8.210 nan 0.000 0.443 252 G N 0.188 108.893 108.800 -0.158 0.000 2.313 252 G HA2 0.211 4.171 3.960 0.001 0.000 0.296 252 G HA3 0.211 4.171 3.960 0.001 0.000 0.296 252 G C -3.104 171.569 174.900 -0.379 0.000 1.356 252 G CA -0.817 43.994 45.100 -0.481 0.000 0.833 252 G HN -0.322 nan 8.290 nan 0.000 0.552 253 P HA 0.344 nan 4.420 nan 0.000 0.264 253 P C 0.988 178.169 177.300 -0.197 0.000 1.193 253 P CA 2.105 65.055 63.100 -0.250 0.000 0.763 253 P CB 0.898 32.455 31.700 -0.238 0.000 0.810 254 G N 2.045 110.762 108.800 -0.138 0.000 2.148 254 G HA2 -0.213 3.747 3.960 0.001 0.000 0.254 254 G HA3 -0.213 3.747 3.960 0.001 0.000 0.254 254 G C 0.004 174.818 174.900 -0.144 0.000 0.981 254 G CA 0.155 45.175 45.100 -0.133 0.000 0.670 254 G HN 0.648 nan 8.290 nan 0.000 0.528 255 D N -0.034 120.278 120.400 -0.147 0.000 2.586 255 D HA 0.413 5.054 4.640 0.001 0.000 0.254 255 D C -0.558 175.668 176.300 -0.123 0.000 1.248 255 D CA -0.171 53.736 54.000 -0.156 0.000 0.843 255 D CB 0.885 41.570 40.800 -0.191 0.000 1.332 255 D HN 0.153 nan 8.370 nan 0.000 0.523 256 V N 3.696 123.569 119.914 -0.069 0.000 2.409 256 V HA 0.535 4.655 4.120 0.001 0.000 0.291 256 V C 0.466 176.575 176.094 0.025 0.000 1.020 256 V CA -0.657 61.642 62.300 -0.001 0.000 0.848 256 V CB 1.781 33.648 31.823 0.074 0.000 0.990 256 V HN 0.211 nan 8.190 nan 0.000 0.430 257 R N 4.498 124.980 120.500 -0.030 0.000 2.758 257 R HA 0.812 5.152 4.340 0.001 0.000 0.265 257 R C -1.172 175.144 176.300 0.026 0.000 1.016 257 R CA -0.835 55.258 56.100 -0.011 0.000 1.040 257 R CB 2.195 32.373 30.300 -0.203 0.000 1.152 257 R HN 0.554 nan 8.270 nan 0.000 0.503 258 I N 0.823 121.408 120.570 0.025 0.000 2.512 258 I HA 0.199 4.369 4.170 0.001 0.000 0.287 258 I C -0.196 175.845 176.117 -0.127 0.000 1.069 258 I CA -0.740 60.503 61.300 -0.095 0.000 1.056 258 I CB 2.364 40.272 38.000 -0.154 0.000 1.229 258 I HN 0.661 nan 8.210 nan 0.000 0.429 259 T N 1.368 115.729 114.554 -0.322 0.000 2.829 259 T HA 0.714 5.065 4.350 0.001 0.000 0.282 259 T C -0.015 174.547 174.700 -0.231 0.000 0.990 259 T CA -0.549 61.364 62.100 -0.312 0.000 1.028 259 T CB 1.647 70.190 68.868 -0.542 0.000 0.951 259 T HN 0.689 nan 8.240 nan 0.000 0.460 260 T N 0.013 114.442 114.554 -0.208 0.000 2.888 260 T HA 0.741 5.092 4.350 0.001 0.000 0.288 260 T C -0.694 173.782 174.700 -0.373 0.000 1.063 260 T CA -1.237 60.670 62.100 -0.323 0.000 1.010 260 T CB 1.965 70.568 68.868 -0.442 0.000 1.214 260 T HN 0.901 nan 8.240 nan 0.000 0.533 261 R N 0.936 121.092 120.500 -0.573 0.000 2.585 261 R HA 0.420 4.760 4.340 0.001 0.000 0.288 261 R C -1.952 173.938 176.300 -0.683 0.000 1.194 261 R CA -0.623 55.168 56.100 -0.516 0.000 1.006 261 R CB 0.905 30.987 30.300 -0.364 0.000 1.229 261 R HN 0.741 nan 8.270 nan 0.000 0.412 262 Y N 2.551 122.686 120.300 -0.275 0.000 2.432 262 Y HA 0.457 5.007 4.550 0.001 0.000 0.322 262 Y C -0.428 175.262 175.900 -0.350 0.000 1.246 262 Y CA -0.367 57.626 58.100 -0.179 0.000 1.268 262 Y CB 1.120 39.557 38.460 -0.039 0.000 1.276 262 Y HN 0.367 nan 8.280 nan 0.000 0.499 263 Y N -0.354 120.097 120.300 0.253 0.000 2.425 263 Y HA 0.250 4.800 4.550 0.001 0.000 0.344 263 Y C 0.809 176.877 175.900 0.280 0.000 0.969 263 Y CA -1.123 57.116 58.100 0.232 0.000 1.052 263 Y CB 1.848 40.447 38.460 0.233 0.000 1.215 263 Y HN 0.576 nan 8.280 nan 0.000 0.451 264 E N 0.809 121.241 120.200 0.386 0.000 2.511 264 E HA -0.117 4.234 4.350 0.001 0.000 0.196 264 E C 0.770 177.580 176.600 0.351 0.000 1.066 264 E CA 1.074 57.668 56.400 0.322 0.000 0.871 264 E CB 0.266 30.100 29.700 0.224 0.000 0.863 264 E HN 0.758 nan 8.360 nan 0.000 0.520 265 D N -1.394 119.254 120.400 0.413 0.000 3.105 265 D HA -0.043 4.598 4.640 0.001 0.000 0.291 265 D C -0.418 176.152 176.300 0.450 0.000 1.218 265 D CA -0.071 54.155 54.000 0.377 0.000 1.029 265 D CB 0.038 41.026 40.800 0.313 0.000 1.207 265 D HN 0.074 nan 8.370 nan 0.000 0.437 266 F N 1.511 121.639 119.950 0.296 0.000 2.404 266 F HA 0.218 4.746 4.527 0.001 0.000 0.345 266 F C 0.819 176.741 175.800 0.202 0.000 1.110 266 F CA -0.999 57.106 58.000 0.175 0.000 1.130 266 F CB 0.945 39.964 39.000 0.031 0.000 1.129 266 F HN -0.097 nan 8.300 nan 0.000 0.500 267 F N 3.892 124.079 119.950 0.394 0.000 2.219 267 F HA -0.081 4.446 4.527 0.000 0.000 0.294 267 F C 1.664 177.515 175.800 0.084 0.000 1.086 267 F CA 1.323 59.330 58.000 0.012 0.000 1.330 267 F CB -0.192 38.461 39.000 -0.578 0.000 1.047 267 F HN 0.460 nan 8.300 nan 0.000 0.495 268 N N 1.327 120.208 118.700 0.302 0.000 2.006 268 N HA -0.204 4.537 4.740 0.001 0.000 0.196 268 N C 2.121 177.543 175.510 -0.148 0.000 1.057 268 N CA 2.079 55.202 53.050 0.122 0.000 0.853 268 N CB -1.255 37.396 38.487 0.273 0.000 1.051 268 N HN 0.382 nan 8.380 nan 0.000 0.423 269 A N 0.081 122.630 122.820 -0.451 0.000 1.920 269 A HA -0.278 4.043 4.320 0.001 0.000 0.229 269 A C 2.320 179.895 177.584 -0.015 0.000 1.516 269 A CA 2.807 54.687 52.037 -0.261 0.000 0.714 269 A CB -1.621 17.174 19.000 -0.342 0.000 0.845 269 A HN 0.472 nan 8.150 nan 0.000 0.493 270 G N -1.371 107.462 108.800 0.056 0.000 2.396 270 G HA2 0.047 4.007 3.960 0.001 0.000 0.214 270 G HA3 0.047 4.007 3.960 0.001 0.000 0.214 270 G C 1.391 176.235 174.900 -0.094 0.000 1.166 270 G CA 0.873 45.936 45.100 -0.062 0.000 0.793 270 G HN 0.407 nan 8.290 nan 0.000 0.533 271 I N 0.225 120.676 120.570 -0.199 0.000 2.353 271 I HA 0.047 4.218 4.170 0.001 0.000 0.248 271 I C 2.213 178.143 176.117 -0.311 0.000 1.119 271 I CA 0.862 61.964 61.300 -0.330 0.000 1.417 271 I CB -0.926 36.588 38.000 -0.810 0.000 1.078 271 I HN 0.054 nan 8.210 nan 0.000 0.421 272 F N 0.970 120.895 119.950 -0.041 0.000 2.569 272 F HA 0.148 4.675 4.527 0.001 0.000 0.295 272 F C 2.531 178.325 175.800 -0.011 0.000 1.115 272 F CA 0.634 58.633 58.000 -0.002 0.000 1.450 272 F CB -1.180 37.821 39.000 0.000 0.000 1.107 272 F HN 0.017 nan 8.300 nan 0.000 0.563 273 G N -0.982 107.877 108.800 0.098 0.000 2.421 273 G HA2 -0.154 3.807 3.960 0.001 0.000 0.217 273 G HA3 -0.154 3.807 3.960 0.001 0.000 0.217 273 G C 1.727 176.671 174.900 0.073 0.000 1.143 273 G CA 1.319 46.464 45.100 0.075 0.000 0.784 273 G HN 0.267 nan 8.290 nan 0.000 0.541 274 T N 1.108 115.654 114.554 -0.013 0.000 2.812 274 T HA 0.062 4.412 4.350 0.001 0.000 0.264 274 T C 2.348 177.024 174.700 -0.041 0.000 1.042 274 T CA 0.405 62.472 62.100 -0.055 0.000 1.140 274 T CB -0.128 68.706 68.868 -0.057 0.000 0.870 274 T HN 0.115 nan 8.240 nan 0.000 0.445 275 L N 0.131 121.358 121.223 0.007 0.000 2.275 275 L HA -0.068 4.273 4.340 0.001 0.000 0.215 275 L C 2.453 179.369 176.870 0.076 0.000 1.119 275 L CA 1.111 55.958 54.840 0.011 0.000 0.790 275 L CB -0.377 41.716 42.059 0.056 0.000 0.919 275 L HN 0.353 nan 8.230 nan 0.000 0.443 276 H N 0.087 119.171 119.070 0.023 0.000 2.307 276 H HA -0.148 4.409 4.556 0.001 0.000 0.303 276 H C 2.125 177.455 175.328 0.003 0.000 1.073 276 H CA 1.612 57.670 56.048 0.016 0.000 1.338 276 H CB 0.286 30.072 29.762 0.039 0.000 1.389 276 H HN 0.028 nan 8.280 nan 0.000 0.503 277 E N 0.173 120.402 120.200 0.049 0.000 2.153 277 E HA -0.164 4.186 4.350 0.001 0.000 0.194 277 E C 2.391 178.944 176.600 -0.079 0.000 0.988 277 E CA 1.124 57.547 56.400 0.039 0.000 0.811 277 E CB -0.328 29.392 29.700 0.035 0.000 0.746 277 E HN 0.583 nan 8.360 nan 0.000 0.466 278 M N -0.874 118.623 119.600 -0.173 0.000 2.159 278 M HA -0.114 4.367 4.480 0.001 0.000 0.263 278 M C 2.022 178.171 176.300 -0.253 0.000 1.063 278 M CA 2.057 57.167 55.300 -0.316 0.000 1.110 278 M CB -0.330 32.064 32.600 -0.342 0.000 1.374 278 M HN 0.194 nan 8.290 nan 0.000 0.411 279 G N -0.335 108.362 108.800 -0.171 0.000 2.446 279 G HA2 -0.268 3.693 3.960 0.001 0.000 0.217 279 G HA3 -0.268 3.693 3.960 0.001 0.000 0.217 279 G C 1.250 176.125 174.900 -0.042 0.000 1.168 279 G CA 1.038 46.084 45.100 -0.089 0.000 0.771 279 G HN 0.526 nan 8.290 nan 0.000 0.551 280 H N 0.872 119.946 119.070 0.007 0.000 2.319 280 H HA -0.017 4.539 4.556 0.000 0.000 0.299 280 H C 2.970 178.378 175.328 0.133 0.000 1.092 280 H CA 1.366 57.524 56.048 0.184 0.000 1.302 280 H CB -0.626 29.255 29.762 0.199 0.000 1.373 280 H HN 0.374 nan 8.280 nan 0.000 0.497 281 A N 1.067 123.979 122.820 0.152 0.000 1.933 281 A HA -0.116 4.204 4.320 0.001 0.000 0.218 281 A C 2.742 180.365 177.584 0.065 0.000 1.175 281 A CA 1.130 53.224 52.037 0.094 0.000 0.628 281 A CB -0.895 18.106 19.000 0.002 0.000 0.814 281 A HN 0.309 nan 8.150 nan 0.000 0.444 282 L N -1.788 119.422 121.223 -0.022 0.000 2.131 282 L HA -0.191 4.149 4.340 0.001 0.000 0.210 282 L C 2.619 179.422 176.870 -0.112 0.000 1.092 282 L CA 1.381 56.189 54.840 -0.052 0.000 0.759 282 L CB -0.599 41.327 42.059 -0.222 0.000 0.903 282 L HN 0.569 nan 8.230 nan 0.000 0.435 283 Y N 1.276 121.326 120.300 -0.416 0.000 2.133 283 Y HA -0.192 4.358 4.550 0.000 0.000 0.287 283 Y C 2.588 178.200 175.900 -0.480 0.000 1.134 283 Y CA 1.276 58.848 58.100 -0.879 0.000 1.133 283 Y CB -0.324 37.723 38.460 -0.688 0.000 0.987 283 Y HN 0.139 nan 8.280 nan 0.000 0.502 284 E N 0.610 120.722 120.200 -0.146 0.000 2.033 284 E HA -0.267 4.084 4.350 0.001 0.000 0.199 284 E C 2.073 178.646 176.600 -0.044 0.000 1.011 284 E CA 1.838 58.177 56.400 -0.101 0.000 0.815 284 E CB -0.570 29.145 29.700 0.024 0.000 0.755 284 E HN 0.657 nan 8.360 nan 0.000 0.451 285 Q N -0.546 119.250 119.800 -0.006 0.000 2.364 285 Q HA -0.059 4.282 4.340 0.001 0.000 0.209 285 Q C 1.972 177.989 176.000 0.027 0.000 0.977 285 Q CA 1.018 56.825 55.803 0.006 0.000 0.885 285 Q CB -0.109 28.635 28.738 0.010 0.000 0.941 285 Q HN 0.283 nan 8.270 nan 0.000 0.464 286 G N 0.312 109.129 108.800 0.027 0.000 2.603 286 G HA2 0.057 4.017 3.960 0.001 0.000 0.214 286 G HA3 0.057 4.017 3.960 0.001 0.000 0.214 286 G C 0.664 175.651 174.900 0.145 0.000 1.140 286 G CA -0.278 44.916 45.100 0.157 0.000 0.800 286 G HN 0.086 nan 8.290 nan 0.000 0.533 287 L N 1.892 123.150 121.223 0.060 0.000 2.499 287 L HA 0.177 4.517 4.340 0.001 0.000 0.281 287 L C -1.636 175.290 176.870 0.094 0.000 1.234 287 L CA -1.327 53.554 54.840 0.068 0.000 0.839 287 L CB 0.377 42.430 42.059 -0.010 0.000 1.104 287 L HN 0.041 nan 8.230 nan 0.000 0.500 288 P HA 0.116 nan 4.420 nan 0.000 0.279 288 P C -0.456 176.912 177.300 0.113 0.000 1.318 288 P CA -0.447 62.723 63.100 0.118 0.000 0.819 288 P CB 1.118 32.933 31.700 0.191 0.000 0.927 289 K N 3.156 123.602 120.400 0.076 0.000 2.059 289 K HA -0.243 4.078 4.320 0.001 0.000 0.212 289 K C 1.896 178.542 176.600 0.076 0.000 1.050 289 K CA 2.344 58.682 56.287 0.085 0.000 0.927 289 K CB -0.609 31.901 32.500 0.016 0.000 0.714 289 K HN 0.593 nan 8.250 nan 0.000 0.447 290 E N -0.063 120.109 120.200 -0.046 0.000 2.187 290 E HA -0.250 4.101 4.350 0.001 0.000 0.199 290 E C 0.982 177.461 176.600 -0.202 0.000 1.004 290 E CA 1.536 57.830 56.400 -0.177 0.000 0.813 290 E CB -0.379 29.102 29.700 -0.366 0.000 0.736 290 E HN 0.488 nan 8.360 nan 0.000 0.468 291 H N -1.366 117.756 119.070 0.087 0.000 2.520 291 H HA 0.098 4.655 4.556 0.001 0.000 0.284 291 H C -0.372 174.985 175.328 0.049 0.000 1.037 291 H CA -0.563 55.518 56.048 0.054 0.000 1.168 291 H CB -0.558 29.204 29.762 -0.000 0.000 1.497 291 H HN 0.209 nan 8.280 nan 0.000 0.547 292 W N 1.875 123.192 121.300 0.028 0.000 2.274 292 W HA 0.199 4.860 4.660 0.001 0.000 0.345 292 W C 1.293 177.774 176.519 -0.063 0.000 1.265 292 W CA 2.469 59.794 57.345 -0.034 0.000 1.293 292 W CB 0.455 29.870 29.460 -0.075 0.000 1.175 292 W HN 0.468 nan 8.180 nan 0.000 0.577 293 G N 2.536 110.537 108.800 -1.331 0.000 2.184 293 G HA2 -0.269 3.691 3.960 0.001 0.000 0.264 293 G HA3 -0.269 3.691 3.960 0.001 0.000 0.264 293 G C 0.090 174.748 174.900 -0.404 0.000 0.975 293 G CA 0.677 45.083 45.100 -1.157 0.000 0.642 293 G HN 1.223 nan 8.290 nan 0.000 0.536 294 T N -3.613 110.798 114.554 -0.238 0.000 2.907 294 T HA 0.720 5.071 4.350 0.001 0.000 0.292 294 T C -1.413 173.182 174.700 -0.175 0.000 1.043 294 T CA -1.092 60.979 62.100 -0.048 0.000 1.003 294 T CB 3.092 71.990 68.868 0.049 0.000 1.084 294 T HN -0.141 nan 8.240 nan 0.000 0.483 295 P HA -0.129 nan 4.420 nan 0.000 0.216 295 P C 1.563 178.708 177.300 -0.259 0.000 1.154 295 P CA 0.901 63.828 63.100 -0.289 0.000 0.865 295 P CB 0.072 31.500 31.700 -0.453 0.000 0.789 296 R N -0.076 120.243 120.500 -0.303 0.000 2.200 296 R HA -0.057 4.283 4.340 0.001 0.000 0.234 296 R C 1.792 177.967 176.300 -0.209 0.000 1.127 296 R CA 1.967 57.873 56.100 -0.324 0.000 0.989 296 R CB -1.398 28.597 30.300 -0.509 0.000 0.869 296 R HN 0.208 nan 8.270 nan 0.000 0.459 297 G N -1.141 107.586 108.800 -0.121 0.000 3.192 297 G HA2 0.094 4.055 3.960 0.001 0.000 0.239 297 G HA3 0.094 4.055 3.960 0.001 0.000 0.239 297 G C -0.582 174.251 174.900 -0.112 0.000 1.084 297 G CA -0.363 44.712 45.100 -0.042 0.000 0.784 297 G HN 0.202 nan 8.290 nan 0.000 0.540 298 D N 0.989 121.297 120.400 -0.154 0.000 2.312 298 D HA 0.480 5.120 4.640 0.001 0.000 0.248 298 D C 0.603 176.825 176.300 -0.130 0.000 1.086 298 D CA -0.151 53.751 54.000 -0.164 0.000 0.948 298 D CB 1.688 42.396 40.800 -0.153 0.000 1.162 298 D HN 0.140 nan 8.370 nan 0.000 0.446 299 A N 0.851 123.570 122.820 -0.168 0.000 2.498 299 A HA 0.050 4.370 4.320 0.001 0.000 0.239 299 A C 1.366 178.974 177.584 0.041 0.000 1.068 299 A CA -0.319 51.610 52.037 -0.180 0.000 0.766 299 A CB 0.539 19.460 19.000 -0.131 0.000 1.003 299 A HN 0.432 nan 8.150 nan 0.000 0.497 300 V N 2.145 122.163 119.914 0.173 0.000 2.427 300 V HA 0.054 4.174 4.120 0.001 0.000 0.248 300 V C 0.985 177.164 176.094 0.141 0.000 1.051 300 V CA 2.476 64.859 62.300 0.140 0.000 1.048 300 V CB -0.429 31.488 31.823 0.157 0.000 0.666 300 V HN 1.596 nan 8.190 nan 0.000 0.456 301 S N -3.589 112.235 115.700 0.207 0.000 2.633 301 S HA 0.278 4.748 4.470 0.001 0.000 0.271 301 S C -0.036 174.705 174.600 0.235 0.000 1.112 301 S CA -0.263 58.048 58.200 0.184 0.000 0.828 301 S CB 0.792 64.094 63.200 0.170 0.000 1.086 301 S HN 0.015 nan 8.310 nan 0.000 0.461 302 L N 1.323 122.632 121.223 0.144 0.000 2.043 302 L HA -0.004 4.336 4.340 0.001 0.000 0.212 302 L C 2.817 179.798 176.870 0.184 0.000 1.075 302 L CA 2.126 57.018 54.840 0.087 0.000 0.752 302 L CB -1.218 40.741 42.059 -0.165 0.000 0.891 302 L HN 1.019 nan 8.230 nan 0.000 0.432 303 G N -0.303 108.622 108.800 0.209 0.000 2.545 303 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 303 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 303 G C 1.551 176.727 174.900 0.462 0.000 1.218 303 G CA 1.141 46.450 45.100 0.348 0.000 0.787 303 G HN 0.199 nan 8.290 nan 0.000 0.571 304 V N 0.297 120.444 119.914 0.388 0.000 2.490 304 V HA -0.184 3.936 4.120 0.001 0.000 0.250 304 V C 2.503 178.730 176.094 0.220 0.000 1.061 304 V CA 1.962 64.420 62.300 0.263 0.000 1.064 304 V CB -0.589 31.301 31.823 0.112 0.000 0.670 304 V HN 0.485 nan 8.190 nan 0.000 0.461 305 H N 0.257 119.529 119.070 0.336 0.000 2.321 305 H HA -0.172 4.384 4.556 0.001 0.000 0.300 305 H C 2.401 177.928 175.328 0.332 0.000 1.087 305 H CA 2.188 58.507 56.048 0.451 0.000 1.319 305 H CB 0.119 30.124 29.762 0.405 0.000 1.379 305 H HN 0.487 nan 8.280 nan 0.000 0.501 306 E N 0.504 120.976 120.200 0.454 0.000 2.204 306 E HA -0.127 4.224 4.350 0.001 0.000 0.195 306 E C 2.421 179.133 176.600 0.186 0.000 0.990 306 E CA 1.328 57.915 56.400 0.312 0.000 0.821 306 E CB -0.162 29.701 29.700 0.273 0.000 0.750 306 E HN 0.448 nan 8.360 nan 0.000 0.477 307 S N -0.449 115.386 115.700 0.226 0.000 2.382 307 S HA -0.193 4.278 4.470 0.001 0.000 0.228 307 S C 1.838 176.512 174.600 0.123 0.000 1.027 307 S CA 0.908 59.238 58.200 0.217 0.000 0.991 307 S CB -0.294 63.140 63.200 0.389 0.000 0.823 307 S HN 0.190 nan 8.310 nan 0.000 0.469 308 Q N 1.616 121.448 119.800 0.052 0.000 2.172 308 Q HA -0.005 4.335 4.340 0.001 0.000 0.200 308 Q C 2.734 178.805 176.000 0.118 0.000 0.964 308 Q CA 1.660 57.508 55.803 0.075 0.000 0.855 308 Q CB -0.849 27.863 28.738 -0.042 0.000 0.918 308 Q HN 0.861 nan 8.270 nan 0.000 0.444 309 S N 0.373 116.005 115.700 -0.114 0.000 2.357 309 S HA -0.051 4.419 4.470 0.001 0.000 0.221 309 S C 1.854 176.426 174.600 -0.046 0.000 1.031 309 S CA 0.417 58.408 58.200 -0.349 0.000 0.982 309 S CB -0.057 62.406 63.200 -1.229 0.000 0.853 309 S HN 0.101 nan 8.310 nan 0.000 0.458 310 R N 1.304 121.824 120.500 0.032 0.000 2.193 310 R HA 0.086 4.427 4.340 0.001 0.000 0.229 310 R C 2.261 178.555 176.300 -0.009 0.000 1.110 310 R CA 1.348 57.491 56.100 0.071 0.000 0.988 310 R CB -1.877 28.450 30.300 0.045 0.000 0.871 310 R HN 0.554 nan 8.270 nan 0.000 0.458 311 T N -0.828 113.720 114.554 -0.010 0.000 2.857 311 T HA -0.113 4.237 4.350 0.001 0.000 0.266 311 T C 1.247 175.760 174.700 -0.312 0.000 1.048 311 T CA 1.062 63.072 62.100 -0.151 0.000 1.139 311 T CB -0.106 68.731 68.868 -0.051 0.000 0.874 311 T HN 0.386 nan 8.240 nan 0.000 0.455 312 W N 1.191 122.475 121.300 -0.026 0.000 2.812 312 W HA 0.282 4.942 4.660 0.001 0.000 0.263 312 W C 2.353 178.786 176.519 -0.143 0.000 1.284 312 W CA -0.275 57.015 57.345 -0.092 0.000 1.430 312 W CB 0.081 29.488 29.460 -0.089 0.000 1.088 312 W HN 0.256 nan 8.180 nan 0.000 0.623 313 E N 0.382 120.649 120.200 0.112 0.000 2.076 313 E HA -0.155 4.195 4.350 0.001 0.000 0.190 313 E C 1.325 177.911 176.600 -0.023 0.000 0.979 313 E CA 1.239 57.701 56.400 0.103 0.000 0.807 313 E CB 0.119 29.929 29.700 0.182 0.000 0.761 313 E HN 0.186 nan 8.360 nan 0.000 0.454 314 N N 0.030 118.685 118.700 -0.075 0.000 2.765 314 N HA 0.056 4.797 4.740 0.001 0.000 0.230 314 N C 1.965 177.394 175.510 -0.134 0.000 1.022 314 N CA 0.295 53.290 53.050 -0.091 0.000 1.106 314 N CB -0.558 37.906 38.487 -0.038 0.000 1.527 314 N HN 0.058 nan 8.380 nan 0.000 0.507 315 L N 1.098 122.136 121.223 -0.309 0.000 2.270 315 L HA -0.137 4.204 4.340 0.001 0.000 0.217 315 L C 1.532 178.141 176.870 -0.436 0.000 1.107 315 L CA 1.040 55.517 54.840 -0.605 0.000 0.772 315 L CB -0.294 41.078 42.059 -1.145 0.000 0.902 315 L HN 0.024 nan 8.230 nan 0.000 0.439 316 V N -1.751 117.960 119.914 -0.337 0.000 3.029 316 V HA 0.148 4.268 4.120 0.001 0.000 0.230 316 V C 2.283 178.090 176.094 -0.478 0.000 1.254 316 V CA 0.923 63.043 62.300 -0.301 0.000 1.276 316 V CB -0.332 31.153 31.823 -0.564 0.000 1.080 316 V HN 0.307 nan 8.190 nan 0.000 0.495 317 G N 0.239 108.736 108.800 -0.506 0.000 2.535 317 G HA2 -0.153 3.807 3.960 0.001 0.000 0.218 317 G HA3 -0.153 3.807 3.960 0.001 0.000 0.218 317 G C 1.349 176.273 174.900 0.040 0.000 1.122 317 G CA 0.492 45.258 45.100 -0.557 0.000 0.769 317 G HN 0.455 nan 8.290 nan 0.000 0.549 318 R N -0.180 120.377 120.500 0.094 0.000 2.590 318 R HA 0.182 4.522 4.340 0.001 0.000 0.410 318 R C 0.498 177.034 176.300 0.393 0.000 1.010 318 R CA 0.062 56.336 56.100 0.289 0.000 1.155 318 R CB 0.814 31.097 30.300 -0.029 0.000 1.455 318 R HN 0.313 nan 8.270 nan 0.000 0.567 319 S N -0.457 115.505 115.700 0.436 0.000 2.652 319 S HA 0.141 4.612 4.470 0.001 0.000 0.270 319 S C 1.035 176.044 174.600 0.682 0.000 1.243 319 S CA -0.735 57.777 58.200 0.519 0.000 0.999 319 S CB 1.505 64.962 63.200 0.428 0.000 0.973 319 S HN 0.128 nan 8.310 nan 0.000 0.544 320 L N 2.383 123.835 121.223 0.381 0.000 2.027 320 L HA 0.213 4.554 4.340 0.001 0.000 0.206 320 L C 2.493 179.518 176.870 0.259 0.000 1.074 320 L CA 2.398 57.260 54.840 0.038 0.000 0.745 320 L CB -1.496 40.383 42.059 -0.299 0.000 0.898 320 L HN 0.995 nan 8.230 nan 0.000 0.433 321 G N -0.929 108.024 108.800 0.255 0.000 2.505 321 G HA2 -0.395 3.565 3.960 0.001 0.000 0.220 321 G HA3 -0.395 3.565 3.960 0.001 0.000 0.220 321 G C 1.556 176.685 174.900 0.381 0.000 1.145 321 G CA 1.135 46.394 45.100 0.266 0.000 0.761 321 G HN 0.439 nan 8.290 nan 0.000 0.571 322 F N 0.391 120.563 119.950 0.369 0.000 2.026 322 F HA -0.073 4.455 4.527 0.001 0.000 0.296 322 F C 2.474 178.370 175.800 0.161 0.000 1.133 322 F CA 1.694 59.863 58.000 0.282 0.000 1.188 322 F CB -0.568 38.517 39.000 0.143 0.000 0.968 322 F HN 0.236 nan 8.300 nan 0.000 0.476 323 W N 0.966 122.586 121.300 0.533 0.000 2.392 323 W HA -0.100 4.560 4.660 0.001 0.000 0.279 323 W C 2.232 178.913 176.519 0.270 0.000 1.225 323 W CA 1.029 58.646 57.345 0.452 0.000 1.233 323 W CB -0.541 29.281 29.460 0.602 0.000 1.122 323 W HN 0.117 nan 8.180 nan 0.000 0.561 324 E N 0.007 120.416 120.200 0.347 0.000 2.401 324 E HA -0.206 4.144 4.350 0.001 0.000 0.199 324 E C 2.054 178.717 176.600 0.106 0.000 1.023 324 E CA 0.760 57.281 56.400 0.201 0.000 0.859 324 E CB -0.139 29.627 29.700 0.110 0.000 0.780 324 E HN 0.389 nan 8.360 nan 0.000 0.523 325 R N -0.497 119.979 120.500 -0.040 0.000 2.191 325 R HA 0.043 4.383 4.340 0.001 0.000 0.196 325 R C 1.225 177.350 176.300 -0.292 0.000 0.991 325 R CA 0.247 56.172 56.100 -0.292 0.000 1.075 325 R CB 0.316 30.219 30.300 -0.662 0.000 1.040 325 R HN 0.036 nan 8.270 nan 0.000 0.526 326 F N -0.548 119.475 119.950 0.122 0.000 2.746 326 F HA 0.155 4.682 4.527 0.000 0.000 0.297 326 F C 1.502 177.622 175.800 0.533 0.000 1.113 326 F CA -0.383 57.762 58.000 0.241 0.000 1.367 326 F CB -0.279 38.697 39.000 -0.040 0.000 1.111 326 F HN -0.022 nan 8.300 nan 0.000 0.590 327 F N 3.500 123.825 119.950 0.625 0.000 2.134 327 F HA -0.063 4.464 4.527 0.001 0.000 0.299 327 F C -0.446 175.467 175.800 0.188 0.000 1.097 327 F CA 0.961 59.216 58.000 0.425 0.000 1.264 327 F CB -1.591 37.603 39.000 0.323 0.000 1.001 327 F HN -0.162 nan 8.300 nan 0.000 0.479 328 P HA -0.221 nan 4.420 nan 0.000 0.217 328 P C 1.424 178.710 177.300 -0.025 0.000 1.150 328 P CA 1.572 64.672 63.100 0.000 0.000 0.832 328 P CB -0.184 31.571 31.700 0.092 0.000 0.787 329 R N 0.538 121.105 120.500 0.112 0.000 2.148 329 R HA 0.042 4.382 4.340 0.001 0.000 0.227 329 R C 2.254 178.547 176.300 -0.011 0.000 1.103 329 R CA 1.434 57.616 56.100 0.137 0.000 0.983 329 R CB -1.406 29.115 30.300 0.367 0.000 0.874 329 R HN 0.079 nan 8.270 nan 0.000 0.451 330 A N 0.318 123.079 122.820 -0.099 0.000 1.872 330 A HA -0.092 4.228 4.320 0.001 0.000 0.214 330 A C 2.101 179.548 177.584 -0.227 0.000 1.187 330 A CA 1.298 53.166 52.037 -0.281 0.000 0.614 330 A CB -0.365 18.424 19.000 -0.352 0.000 0.826 330 A HN 0.321 nan 8.150 nan 0.000 0.442 331 R N -0.040 120.214 120.500 -0.411 0.000 2.105 331 R HA -0.135 4.206 4.340 0.001 0.000 0.239 331 R C 1.744 177.948 176.300 -0.160 0.000 1.135 331 R CA 1.554 57.463 56.100 -0.318 0.000 0.967 331 R CB -0.335 29.748 30.300 -0.361 0.000 0.861 331 R HN 0.655 nan 8.270 nan 0.000 0.442 332 E N -0.024 120.096 120.200 -0.134 0.000 2.510 332 E HA -0.104 4.246 4.350 0.001 0.000 0.202 332 E C 0.857 177.383 176.600 -0.122 0.000 1.072 332 E CA 0.720 57.063 56.400 -0.094 0.000 0.883 332 E CB 0.347 30.016 29.700 -0.053 0.000 0.818 332 E HN 0.193 nan 8.360 nan 0.000 0.548 333 V N -0.974 118.842 119.914 -0.163 0.000 3.426 333 V HA 0.147 4.268 4.120 0.001 0.000 0.279 333 V C -0.310 175.462 176.094 -0.536 0.000 1.544 333 V CA -0.098 61.998 62.300 -0.341 0.000 1.017 333 V CB 0.312 31.859 31.823 -0.460 0.000 0.821 333 V HN 0.026 nan 8.190 nan 0.000 0.432 334 F N 0.255 120.121 119.950 -0.139 0.000 2.493 334 F HA 0.779 5.306 4.527 0.001 0.000 0.329 334 F C 1.194 176.898 175.800 -0.160 0.000 1.126 334 F CA -0.107 57.831 58.000 -0.103 0.000 0.937 334 F CB 1.809 40.818 39.000 0.014 0.000 1.146 334 F HN -0.069 nan 8.300 nan 0.000 0.442 335 A N 1.735 124.544 122.820 -0.018 0.000 1.851 335 A HA -0.165 4.155 4.320 0.001 0.000 0.216 335 A C 2.174 179.696 177.584 -0.104 0.000 1.195 335 A CA 2.223 54.219 52.037 -0.068 0.000 0.622 335 A CB -1.017 17.939 19.000 -0.073 0.000 0.831 335 A HN 0.712 nan 8.150 nan 0.000 0.444 336 S N -0.349 115.226 115.700 -0.209 0.000 2.484 336 S HA -0.106 4.364 4.470 0.001 0.000 0.250 336 S C 0.919 175.420 174.600 -0.165 0.000 0.995 336 S CA 0.970 58.993 58.200 -0.294 0.000 0.967 336 S CB -0.443 62.303 63.200 -0.756 0.000 0.752 336 S HN 0.443 nan 8.310 nan 0.000 0.517 337 L N 1.222 122.379 121.223 -0.109 0.000 3.064 337 L HA 0.269 4.610 4.340 0.001 0.000 0.233 337 L C 1.662 178.479 176.870 -0.088 0.000 1.333 337 L CA -0.392 54.392 54.840 -0.093 0.000 1.140 337 L CB -0.136 41.805 42.059 -0.197 0.000 1.519 337 L HN 0.303 nan 8.230 nan 0.000 0.493 338 G N 0.001 108.768 108.800 -0.054 0.000 2.524 338 G HA2 -0.129 3.831 3.960 0.001 0.000 0.210 338 G HA3 -0.129 3.831 3.960 0.001 0.000 0.210 338 G C 0.728 175.623 174.900 -0.009 0.000 1.187 338 G CA 0.154 45.230 45.100 -0.039 0.000 0.825 338 G HN 0.518 nan 8.290 nan 0.000 0.558 339 D N 0.937 121.339 120.400 0.003 0.000 3.134 339 D HA 0.241 4.881 4.640 0.001 0.000 0.248 339 D C -0.340 175.988 176.300 0.045 0.000 1.273 339 D CA -0.125 53.887 54.000 0.020 0.000 0.904 339 D CB 0.542 41.348 40.800 0.010 0.000 1.089 339 D HN 0.065 nan 8.370 nan 0.000 0.478 340 V N 0.609 120.571 119.914 0.080 0.000 2.709 340 V HA 0.384 4.505 4.120 0.001 0.000 0.308 340 V C 0.141 176.378 176.094 0.238 0.000 1.062 340 V CA -0.898 61.489 62.300 0.145 0.000 0.901 340 V CB 1.955 33.887 31.823 0.182 0.000 1.003 340 V HN 0.430 nan 8.190 nan 0.000 0.425 341 S N 3.626 119.404 115.700 0.130 0.000 2.681 341 S HA 0.610 5.080 4.470 0.001 0.000 0.299 341 S C 0.893 175.313 174.600 -0.300 0.000 1.113 341 S CA -0.666 57.571 58.200 0.061 0.000 1.013 341 S CB 1.861 65.067 63.200 0.011 0.000 1.076 341 S HN 0.715 nan 8.310 nan 0.000 0.534 342 L N 0.598 121.530 121.223 -0.484 0.000 1.989 342 L HA -0.179 4.162 4.340 0.001 0.000 0.211 342 L C 2.371 179.049 176.870 -0.320 0.000 1.071 342 L CA 2.041 56.396 54.840 -0.809 0.000 0.749 342 L CB -0.649 41.227 42.059 -0.305 0.000 0.890 342 L HN 0.797 nan 8.230 nan 0.000 0.431 343 E N 0.475 120.588 120.200 -0.146 0.000 2.048 343 E HA -0.285 4.066 4.350 0.001 0.000 0.202 343 E C 1.891 178.481 176.600 -0.016 0.000 1.021 343 E CA 1.959 58.328 56.400 -0.051 0.000 0.825 343 E CB -0.609 29.056 29.700 -0.059 0.000 0.756 343 E HN 0.542 nan 8.360 nan 0.000 0.454 344 D N -0.692 119.676 120.400 -0.053 0.000 2.182 344 D HA -0.157 4.483 4.640 0.001 0.000 0.201 344 D C 1.799 178.130 176.300 0.052 0.000 0.986 344 D CA 0.760 54.745 54.000 -0.025 0.000 0.847 344 D CB -0.221 40.567 40.800 -0.020 0.000 0.942 344 D HN 0.105 nan 8.370 nan 0.000 0.467 345 F N 1.178 121.004 119.950 -0.206 0.000 2.074 345 F HA -0.144 4.383 4.527 0.001 0.000 0.293 345 F C 2.469 178.137 175.800 -0.219 0.000 1.116 345 F CA 1.496 59.332 58.000 -0.273 0.000 1.212 345 F CB -0.796 37.869 39.000 -0.559 0.000 0.998 345 F HN -0.030 nan 8.300 nan 0.000 0.471 346 H N -1.129 117.781 119.070 -0.266 0.000 2.460 346 H HA -0.271 4.285 4.556 0.001 0.000 0.297 346 H C 1.892 177.119 175.328 -0.168 0.000 1.103 346 H CA 2.259 58.176 56.048 -0.218 0.000 1.292 346 H CB -0.542 29.208 29.762 -0.019 0.000 1.376 346 H HN 0.371 nan 8.280 nan 0.000 0.531 347 F N -0.026 119.763 119.950 -0.268 0.000 2.262 347 F HA 0.170 4.698 4.527 0.000 0.000 0.292 347 F C 2.456 178.083 175.800 -0.287 0.000 1.081 347 F CA 0.955 58.774 58.000 -0.302 0.000 1.355 347 F CB -0.736 38.124 39.000 -0.233 0.000 1.069 347 F HN 0.239 nan 8.300 nan 0.000 0.506 348 A N 0.437 123.245 122.820 -0.021 0.000 1.865 348 A HA -0.194 4.127 4.320 0.001 0.000 0.217 348 A C 2.205 179.673 177.584 -0.194 0.000 1.191 348 A CA 2.642 54.642 52.037 -0.062 0.000 0.623 348 A CB -1.682 17.282 19.000 -0.061 0.000 0.826 348 A HN 0.441 nan 8.150 nan 0.000 0.444 349 V N -2.489 117.207 119.914 -0.364 0.000 2.759 349 V HA -0.062 4.059 4.120 0.001 0.000 0.256 349 V C 0.965 176.903 176.094 -0.261 0.000 1.080 349 V CA 1.888 64.032 62.300 -0.259 0.000 1.101 349 V CB -0.838 30.817 31.823 -0.279 0.000 0.698 349 V HN 0.479 nan 8.190 nan 0.000 0.477 350 N N 1.472 119.960 118.700 -0.352 0.000 2.376 350 N HA 0.468 5.208 4.740 0.001 0.000 0.249 350 N C 0.413 175.800 175.510 -0.206 0.000 1.140 350 N CA 0.580 53.447 53.050 -0.306 0.000 0.870 350 N CB 0.858 39.032 38.487 -0.521 0.000 1.124 350 N HN 0.646 nan 8.380 nan 0.000 0.505 351 A N 0.369 123.103 122.820 -0.144 0.000 2.440 351 A HA 0.382 4.702 4.320 0.001 0.000 0.251 351 A C 0.407 178.049 177.584 0.097 0.000 1.089 351 A CA -0.048 51.985 52.037 -0.007 0.000 0.779 351 A CB 0.591 19.617 19.000 0.043 0.000 1.022 351 A HN 0.032 nan 8.150 nan 0.000 0.492 352 V N 2.167 122.164 119.914 0.140 0.000 2.667 352 V HA 0.732 4.853 4.120 0.001 0.000 0.308 352 V C 0.018 176.084 176.094 -0.047 0.000 1.048 352 V CA -0.355 61.933 62.300 -0.019 0.000 0.928 352 V CB 1.500 33.219 31.823 -0.173 0.000 1.004 352 V HN 1.045 nan 8.190 nan 0.000 0.444 353 E N 4.176 124.360 120.200 -0.027 0.000 3.287 353 E HA 0.244 4.594 4.350 0.001 0.000 0.355 353 E C -3.038 173.582 176.600 0.032 0.000 1.027 353 E CA -1.229 55.170 56.400 -0.002 0.000 0.840 353 E CB 2.326 32.053 29.700 0.044 0.000 1.273 353 E HN 0.430 nan 8.360 nan 0.000 0.458 354 P HA 0.072 nan 4.420 nan 0.000 0.264 354 P C -0.874 176.481 177.300 0.091 0.000 1.236 354 P CA 0.322 63.451 63.100 0.048 0.000 0.811 354 P CB 0.582 32.286 31.700 0.008 0.000 0.840 355 S N 2.488 118.286 115.700 0.164 0.000 2.766 355 S HA 0.455 4.926 4.470 0.001 0.000 0.307 355 S C 0.798 175.560 174.600 0.271 0.000 1.121 355 S CA -0.839 57.469 58.200 0.180 0.000 0.980 355 S CB 0.953 64.254 63.200 0.169 0.000 1.159 355 S HN 0.180 nan 8.310 nan 0.000 0.546 356 L N -0.343 121.000 121.223 0.201 0.000 2.416 356 L HA 0.395 4.736 4.340 0.001 0.000 0.216 356 L C 0.051 177.064 176.870 0.238 0.000 1.098 356 L CA 0.552 55.486 54.840 0.157 0.000 0.840 356 L CB -0.160 41.903 42.059 0.006 0.000 0.981 356 L HN 0.537 nan 8.230 nan 0.000 0.462 357 I N 0.187 120.890 120.570 0.222 0.000 2.312 357 I HA 0.099 4.270 4.170 0.001 0.000 0.290 357 I C 1.342 177.480 176.117 0.034 0.000 1.008 357 I CA -0.141 61.250 61.300 0.152 0.000 1.226 357 I CB 1.709 39.759 38.000 0.083 0.000 1.371 357 I HN 0.090 nan 8.210 nan 0.000 0.468 358 R N 4.771 125.234 120.500 -0.062 0.000 2.096 358 R HA -0.142 4.198 4.340 0.001 0.000 0.240 358 R C 1.630 177.814 176.300 -0.193 0.000 1.139 358 R CA 1.853 57.657 56.100 -0.494 0.000 0.952 358 R CB -0.075 30.014 30.300 -0.353 0.000 0.854 358 R HN 0.582 nan 8.270 nan 0.000 0.436 359 V N 1.373 121.268 119.914 -0.032 0.000 2.453 359 V HA -0.229 3.891 4.120 0.001 0.000 0.252 359 V C 1.394 177.498 176.094 0.017 0.000 1.068 359 V CA 2.184 64.506 62.300 0.037 0.000 1.070 359 V CB -0.429 31.429 31.823 0.058 0.000 0.664 359 V HN 0.473 nan 8.190 nan 0.000 0.461 360 E N -0.294 119.913 120.200 0.011 0.000 2.476 360 E HA 0.372 4.722 4.350 0.001 0.000 0.196 360 E C 0.707 177.330 176.600 0.039 0.000 1.029 360 E CA 0.163 56.581 56.400 0.030 0.000 0.896 360 E CB 0.373 30.117 29.700 0.074 0.000 1.012 360 E HN 0.601 nan 8.360 nan 0.000 0.475 361 A N 2.505 125.321 122.820 -0.007 0.000 2.366 361 A HA 0.087 4.408 4.320 0.001 0.000 0.249 361 A C 0.325 177.946 177.584 0.061 0.000 1.084 361 A CA -0.462 51.577 52.037 0.004 0.000 0.794 361 A CB 0.313 19.174 19.000 -0.231 0.000 1.034 361 A HN 0.203 nan 8.150 nan 0.000 0.491 362 D N 0.006 120.446 120.400 0.066 0.000 2.388 362 D HA 0.066 4.706 4.640 0.001 0.000 0.254 362 D C 0.716 177.043 176.300 0.045 0.000 1.111 362 D CA -0.122 53.897 54.000 0.033 0.000 0.993 362 D CB 0.815 41.628 40.800 0.021 0.000 1.118 362 D HN 0.749 nan 8.370 nan 0.000 0.502 363 E N -0.069 120.134 120.200 0.006 0.000 2.147 363 E HA -0.207 4.143 4.350 0.001 0.000 0.199 363 E C 1.575 178.209 176.600 0.056 0.000 1.005 363 E CA 1.306 57.733 56.400 0.046 0.000 0.810 363 E CB 0.122 29.864 29.700 0.069 0.000 0.736 363 E HN 0.371 nan 8.360 nan 0.000 0.460 364 V N 0.514 120.361 119.914 -0.112 0.000 2.535 364 V HA -0.146 3.974 4.120 0.001 0.000 0.246 364 V C 2.533 178.600 176.094 -0.046 0.000 1.045 364 V CA 1.932 64.108 62.300 -0.205 0.000 1.058 364 V CB -0.150 31.380 31.823 -0.489 0.000 0.689 364 V HN 0.574 nan 8.190 nan 0.000 0.461 365 T N -3.495 111.067 114.554 0.014 0.000 3.037 365 T HA -0.064 4.286 4.350 0.001 0.000 0.251 365 T C 1.741 176.550 174.700 0.183 0.000 1.079 365 T CA 0.453 62.597 62.100 0.074 0.000 1.067 365 T CB -0.426 68.497 68.868 0.091 0.000 0.948 365 T HN 0.370 nan 8.240 nan 0.000 0.496 366 Y N 3.864 124.192 120.300 0.046 0.000 1.997 366 Y HA -0.342 4.209 4.550 0.001 0.000 0.265 366 Y C 2.194 178.132 175.900 0.062 0.000 1.193 366 Y CA 2.325 60.416 58.100 -0.016 0.000 1.106 366 Y CB -0.757 37.669 38.460 -0.057 0.000 0.940 366 Y HN 0.204 nan 8.280 nan 0.000 0.494 367 N N 0.329 119.118 118.700 0.148 0.000 2.192 367 N HA -0.214 4.527 4.740 0.001 0.000 0.188 367 N C 1.899 177.400 175.510 -0.015 0.000 1.013 367 N CA 1.729 54.815 53.050 0.060 0.000 0.863 367 N CB -0.541 37.989 38.487 0.073 0.000 0.990 367 N HN 0.457 nan 8.380 nan 0.000 0.430 368 L N 0.147 121.343 121.223 -0.046 0.000 2.275 368 L HA -0.143 4.197 4.340 0.001 0.000 0.215 368 L C 1.896 178.537 176.870 -0.382 0.000 1.119 368 L CA 0.960 55.684 54.840 -0.193 0.000 0.790 368 L CB -0.436 41.510 42.059 -0.190 0.000 0.919 368 L HN 0.182 nan 8.230 nan 0.000 0.443 369 H N -0.645 118.160 119.070 -0.441 0.000 2.363 369 H HA -0.082 4.474 4.556 0.001 0.000 0.301 369 H C 2.171 177.168 175.328 -0.552 0.000 1.074 369 H CA 1.122 56.830 56.048 -0.567 0.000 1.354 369 H CB 0.152 29.600 29.762 -0.524 0.000 1.397 369 H HN 0.061 nan 8.280 nan 0.000 0.516 370 I N 0.243 120.642 120.570 -0.285 0.000 2.226 370 I HA -0.199 3.971 4.170 0.001 0.000 0.245 370 I C 2.293 178.296 176.117 -0.190 0.000 1.100 370 I CA 0.890 62.088 61.300 -0.170 0.000 1.374 370 I CB -0.983 37.101 38.000 0.139 0.000 1.057 370 I HN 0.262 nan 8.210 nan 0.000 0.413 371 L N 1.225 122.343 121.223 -0.174 0.000 2.079 371 L HA -0.156 4.185 4.340 0.001 0.000 0.210 371 L C 2.577 179.168 176.870 -0.465 0.000 1.081 371 L CA 1.746 56.380 54.840 -0.344 0.000 0.752 371 L CB -0.581 41.285 42.059 -0.323 0.000 0.896 371 L HN 0.209 nan 8.230 nan 0.000 0.433 372 V N -2.628 116.967 119.914 -0.532 0.000 2.548 372 V HA -0.162 3.959 4.120 0.001 0.000 0.249 372 V C 2.556 178.446 176.094 -0.340 0.000 1.055 372 V CA 1.568 63.587 62.300 -0.468 0.000 1.065 372 V CB -0.815 30.590 31.823 -0.697 0.000 0.681 372 V HN 0.458 nan 8.190 nan 0.000 0.462 373 R N -0.128 120.153 120.500 -0.366 0.000 2.075 373 R HA 0.017 4.357 4.340 0.001 0.000 0.232 373 R C 2.294 178.654 176.300 0.099 0.000 1.126 373 R CA 1.678 57.701 56.100 -0.129 0.000 0.963 373 R CB -0.652 29.338 30.300 -0.515 0.000 0.858 373 R HN 0.522 nan 8.270 nan 0.000 0.435 374 L N 1.719 122.901 121.223 -0.067 0.000 2.012 374 L HA -0.172 4.168 4.340 0.001 0.000 0.210 374 L C 1.716 178.505 176.870 -0.134 0.000 1.073 374 L CA 1.861 56.645 54.840 -0.093 0.000 0.748 374 L CB -0.426 41.396 42.059 -0.394 0.000 0.891 374 L HN 0.133 nan 8.230 nan 0.000 0.431 375 E N -0.561 119.541 120.200 -0.162 0.000 2.051 375 E HA -0.228 4.122 4.350 0.001 0.000 0.192 375 E C 2.254 178.820 176.600 -0.057 0.000 0.991 375 E CA 1.658 57.986 56.400 -0.119 0.000 0.799 375 E CB -0.307 29.340 29.700 -0.089 0.000 0.748 375 E HN 0.515 nan 8.360 nan 0.000 0.449 376 L N 0.887 122.119 121.223 0.015 0.000 2.079 376 L HA -0.229 4.111 4.340 0.001 0.000 0.210 376 L C 2.365 179.240 176.870 0.009 0.000 1.081 376 L CA 1.277 56.160 54.840 0.073 0.000 0.752 376 L CB -0.375 41.848 42.059 0.274 0.000 0.896 376 L HN 0.154 nan 8.230 nan 0.000 0.433 377 E N 0.100 120.353 120.200 0.089 0.000 2.047 377 E HA -0.177 4.173 4.350 0.001 0.000 0.191 377 E C 2.388 178.953 176.600 -0.058 0.000 0.987 377 E CA 0.926 57.385 56.400 0.099 0.000 0.799 377 E CB -0.109 29.854 29.700 0.439 0.000 0.752 377 E HN 0.418 nan 8.360 nan 0.000 0.449 378 L N 0.685 121.761 121.223 -0.244 0.000 2.042 378 L HA -0.231 4.109 4.340 0.001 0.000 0.210 378 L C 2.607 179.408 176.870 -0.116 0.000 1.076 378 L CA 1.070 55.738 54.840 -0.287 0.000 0.749 378 L CB -0.541 41.346 42.059 -0.286 0.000 0.893 378 L HN 0.169 nan 8.230 nan 0.000 0.432 379 A N 0.128 122.883 122.820 -0.109 0.000 1.908 379 A HA -0.184 4.136 4.320 0.001 0.000 0.218 379 A C 2.245 179.751 177.584 -0.131 0.000 1.181 379 A CA 1.497 53.478 52.037 -0.093 0.000 0.627 379 A CB -0.675 18.278 19.000 -0.078 0.000 0.818 379 A HN 0.321 nan 8.150 nan 0.000 0.445 380 L N -1.962 119.123 121.223 -0.230 0.000 1.955 380 L HA -0.189 4.152 4.340 0.001 0.000 0.213 380 L C 2.472 179.173 176.870 -0.282 0.000 1.072 380 L CA 1.738 56.330 54.840 -0.413 0.000 0.755 380 L CB -0.681 40.906 42.059 -0.787 0.000 0.888 380 L HN 0.407 nan 8.230 nan 0.000 0.432 381 F N -0.313 119.646 119.950 0.015 0.000 2.333 381 F HA -0.124 4.404 4.527 0.001 0.000 0.300 381 F C 2.335 178.117 175.800 -0.029 0.000 1.083 381 F CA 0.911 58.927 58.000 0.027 0.000 1.395 381 F CB -0.497 38.534 39.000 0.052 0.000 1.056 381 F HN -0.059 nan 8.300 nan 0.000 0.529 382 R N 0.040 120.590 120.500 0.084 0.000 2.319 382 R HA 0.152 4.492 4.340 0.001 0.000 0.204 382 R C 1.593 177.895 176.300 0.002 0.000 0.954 382 R CA 0.537 56.653 56.100 0.026 0.000 1.066 382 R CB -0.541 29.757 30.300 -0.003 0.000 0.991 382 R HN 0.336 nan 8.270 nan 0.000 0.486 383 G N 2.109 110.907 108.800 -0.003 0.000 2.187 383 G HA2 -0.339 3.621 3.960 0.001 0.000 0.261 383 G HA3 -0.339 3.621 3.960 0.001 0.000 0.261 383 G C 0.489 175.370 174.900 -0.033 0.000 1.000 383 G CA 0.956 46.047 45.100 -0.016 0.000 0.718 383 G HN 0.661 nan 8.290 nan 0.000 0.519 384 E N -1.343 118.831 120.200 -0.044 0.000 2.476 384 E HA 0.510 4.860 4.350 0.001 0.000 0.196 384 E C 0.451 177.019 176.600 -0.053 0.000 1.029 384 E CA -0.320 56.056 56.400 -0.040 0.000 0.896 384 E CB 0.608 30.289 29.700 -0.031 0.000 1.012 384 E HN 0.542 nan 8.360 nan 0.000 0.475 385 L N 0.519 121.692 121.223 -0.084 0.000 2.482 385 L HA 0.435 4.776 4.340 0.001 0.000 0.263 385 L C -1.510 175.269 176.870 -0.152 0.000 0.957 385 L CA -0.611 54.170 54.840 -0.097 0.000 0.836 385 L CB 2.496 44.496 42.059 -0.097 0.000 1.324 385 L HN -0.024 nan 8.230 nan 0.000 0.406 386 S N 4.344 119.974 115.700 -0.118 0.000 2.509 386 S HA 0.646 5.117 4.470 0.001 0.000 0.297 386 S C -2.012 172.507 174.600 -0.135 0.000 1.118 386 S CA -1.491 56.621 58.200 -0.147 0.000 1.074 386 S CB 1.615 64.769 63.200 -0.077 0.000 1.038 386 S HN 0.628 nan 8.310 nan 0.000 0.498 387 P HA -0.222 nan 4.420 nan 0.000 0.218 387 P C 1.247 178.615 177.300 0.112 0.000 1.150 387 P CA 1.532 64.570 63.100 -0.103 0.000 0.841 387 P CB 0.005 31.593 31.700 -0.188 0.000 0.784 388 E N -0.335 119.905 120.200 0.068 0.000 2.077 388 E HA -0.190 4.160 4.350 0.001 0.000 0.193 388 E C 0.796 177.488 176.600 0.154 0.000 0.989 388 E CA 1.293 57.778 56.400 0.142 0.000 0.800 388 E CB -0.969 28.771 29.700 0.066 0.000 0.746 388 E HN 0.293 nan 8.360 nan 0.000 0.452 389 D N 0.640 121.088 120.400 0.081 0.000 2.328 389 D HA 0.006 4.646 4.640 0.001 0.000 0.226 389 D C 1.694 178.040 176.300 0.076 0.000 1.066 389 D CA -0.007 54.031 54.000 0.063 0.000 0.861 389 D CB 0.301 41.118 40.800 0.028 0.000 0.912 389 D HN 0.139 nan 8.370 nan 0.000 0.521 390 L N 2.225 123.521 121.223 0.122 0.000 1.994 390 L HA -0.078 4.262 4.340 0.001 0.000 0.208 390 L C -0.604 176.346 176.870 0.133 0.000 1.071 390 L CA 2.049 56.990 54.840 0.168 0.000 0.745 390 L CB -1.287 40.945 42.059 0.289 0.000 0.892 390 L HN -0.021 nan 8.230 nan 0.000 0.431 391 P HA -0.253 nan 4.420 nan 0.000 0.214 391 P C 1.248 178.562 177.300 0.023 0.000 1.163 391 P CA 2.177 65.144 63.100 -0.223 0.000 0.889 391 P CB -0.233 31.119 31.700 -0.580 0.000 0.790 392 E N 0.495 120.710 120.200 0.025 0.000 2.110 392 E HA -0.145 4.205 4.350 0.001 0.000 0.193 392 E C 2.159 178.816 176.600 0.095 0.000 0.988 392 E CA 1.258 57.691 56.400 0.056 0.000 0.804 392 E CB -1.032 28.690 29.700 0.037 0.000 0.745 392 E HN 0.148 nan 8.360 nan 0.000 0.458 393 A N 1.848 124.735 122.820 0.113 0.000 1.930 393 A HA -0.153 4.167 4.320 0.001 0.000 0.217 393 A C 1.933 179.622 177.584 0.176 0.000 1.175 393 A CA 1.101 53.205 52.037 0.113 0.000 0.627 393 A CB -1.236 17.825 19.000 0.101 0.000 0.815 393 A HN 0.680 nan 8.150 nan 0.000 0.443 394 W N 1.004 122.339 121.300 0.058 0.000 2.335 394 W HA -0.220 4.441 4.660 0.000 0.000 0.311 394 W C 2.309 178.897 176.519 0.115 0.000 1.213 394 W CA 2.262 59.673 57.345 0.110 0.000 1.274 394 W CB -0.640 28.859 29.460 0.065 0.000 1.148 394 W HN 0.420 nan 8.180 nan 0.000 0.498 395 A N 0.823 123.859 122.820 0.359 0.000 1.865 395 A HA -0.286 4.035 4.320 0.001 0.000 0.217 395 A C 1.877 179.531 177.584 0.116 0.000 1.191 395 A CA 2.267 54.437 52.037 0.221 0.000 0.623 395 A CB -1.162 17.911 19.000 0.121 0.000 0.826 395 A HN 0.489 nan 8.150 nan 0.000 0.444 396 E N -0.138 120.102 120.200 0.066 0.000 2.035 396 E HA -0.256 4.095 4.350 0.001 0.000 0.204 396 E C 2.131 178.695 176.600 -0.061 0.000 1.025 396 E CA 1.573 57.971 56.400 -0.003 0.000 0.835 396 E CB -0.238 29.455 29.700 -0.011 0.000 0.764 396 E HN 0.396 nan 8.360 nan 0.000 0.457 397 K N 0.430 120.786 120.400 -0.072 0.000 2.015 397 K HA -0.217 4.104 4.320 0.001 0.000 0.216 397 K C 2.165 178.656 176.600 -0.181 0.000 1.052 397 K CA 1.571 57.769 56.287 -0.149 0.000 0.937 397 K CB -0.986 31.454 32.500 -0.100 0.000 0.719 397 K HN 0.262 nan 8.250 nan 0.000 0.446 398 Y N 1.233 121.394 120.300 -0.233 0.000 2.151 398 Y HA -0.233 4.317 4.550 0.001 0.000 0.284 398 Y C 2.866 178.676 175.900 -0.150 0.000 1.166 398 Y CA 1.819 59.786 58.100 -0.222 0.000 1.163 398 Y CB -0.179 38.161 38.460 -0.200 0.000 0.974 398 Y HN 0.128 nan 8.280 nan 0.000 0.511 399 R N 0.092 120.607 120.500 0.025 0.000 2.073 399 R HA -0.211 4.130 4.340 0.001 0.000 0.234 399 R C 1.894 178.131 176.300 -0.104 0.000 1.134 399 R CA 2.129 58.215 56.100 -0.022 0.000 0.952 399 R CB -0.445 29.843 30.300 -0.020 0.000 0.850 399 R HN 0.347 nan 8.270 nan 0.000 0.433 400 D N -0.954 119.324 120.400 -0.203 0.000 2.183 400 D HA -0.145 4.496 4.640 0.001 0.000 0.203 400 D C 1.633 177.711 176.300 -0.370 0.000 0.969 400 D CA 1.223 55.035 54.000 -0.314 0.000 0.842 400 D CB 0.162 40.698 40.800 -0.440 0.000 0.957 400 D HN 0.352 nan 8.370 nan 0.000 0.484 401 H N -0.761 118.200 119.070 -0.183 0.000 2.418 401 H HA 0.197 4.753 4.556 0.001 0.000 0.300 401 H C 1.852 177.055 175.328 -0.208 0.000 1.041 401 H CA 0.610 56.531 56.048 -0.212 0.000 1.364 401 H CB 0.232 29.810 29.762 -0.308 0.000 1.439 401 H HN 0.206 nan 8.280 nan 0.000 0.540 402 L N -0.639 120.509 121.223 -0.125 0.000 2.556 402 L HA 0.221 4.562 4.340 0.001 0.000 0.226 402 L C 1.020 177.855 176.870 -0.059 0.000 1.089 402 L CA 0.498 55.266 54.840 -0.119 0.000 0.864 402 L CB 0.559 42.505 42.059 -0.190 0.000 1.067 402 L HN 0.371 nan 8.230 nan 0.000 0.477 403 G N 1.310 110.078 108.800 -0.052 0.000 2.212 403 G HA2 -0.202 3.758 3.960 0.001 0.000 0.255 403 G HA3 -0.202 3.758 3.960 0.001 0.000 0.255 403 G C -0.008 174.889 174.900 -0.005 0.000 1.062 403 G CA 0.343 45.423 45.100 -0.033 0.000 0.815 403 G HN 0.301 nan 8.290 nan 0.000 0.497 404 V N -4.833 115.096 119.914 0.025 0.000 3.109 404 V HA 1.093 5.213 4.120 0.001 0.000 0.311 404 V C 0.086 176.220 176.094 0.065 0.000 1.389 404 V CA -0.557 61.770 62.300 0.045 0.000 1.034 404 V CB 1.469 33.334 31.823 0.069 0.000 1.105 404 V HN 2.234 nan 8.190 nan 0.000 0.477 405 A N 0.613 123.465 122.820 0.053 0.000 2.585 405 A HA 0.801 5.122 4.320 0.001 0.000 0.299 405 A C -3.352 174.224 177.584 -0.015 0.000 1.047 405 A CA -0.597 51.465 52.037 0.041 0.000 0.723 405 A CB 1.016 20.033 19.000 0.028 0.000 1.275 405 A HN 0.932 nan 8.150 nan 0.000 0.408 406 P HA 0.375 nan 4.420 nan 0.000 0.284 406 P C -0.101 177.134 177.300 -0.109 0.000 1.253 406 P CA -0.223 62.819 63.100 -0.097 0.000 0.800 406 P CB 1.693 33.308 31.700 -0.143 0.000 0.961 407 K N 1.373 121.693 120.400 -0.132 0.000 2.063 407 K HA 0.034 4.355 4.320 0.001 0.000 0.204 407 K C 0.784 177.223 176.600 -0.269 0.000 1.039 407 K CA 1.326 57.518 56.287 -0.159 0.000 0.957 407 K CB -0.364 32.061 32.500 -0.125 0.000 0.764 407 K HN 0.677 nan 8.250 nan 0.000 0.447 408 D N -1.842 118.390 120.400 -0.281 0.000 2.507 408 D HA 0.029 4.669 4.640 0.001 0.000 0.280 408 D C 1.056 177.085 176.300 -0.451 0.000 1.219 408 D CA -0.006 53.741 54.000 -0.421 0.000 1.085 408 D CB -0.201 40.445 40.800 -0.256 0.000 1.134 408 D HN -0.054 nan 8.370 nan 0.000 0.583 409 Y N -1.249 118.949 120.300 -0.171 0.000 2.522 409 Y HA 0.151 4.701 4.550 0.001 0.000 0.277 409 Y C 2.122 177.896 175.900 -0.209 0.000 1.104 409 Y CA 0.314 58.275 58.100 -0.231 0.000 1.260 409 Y CB -0.469 37.912 38.460 -0.133 0.000 1.151 409 Y HN 0.386 nan 8.280 nan 0.000 0.539 410 K N -0.189 120.203 120.400 -0.014 0.000 2.211 410 K HA -0.143 4.178 4.320 0.001 0.000 0.204 410 K C 0.138 176.686 176.600 -0.085 0.000 1.047 410 K CA 2.050 58.298 56.287 -0.065 0.000 0.935 410 K CB -0.124 32.326 32.500 -0.082 0.000 0.728 410 K HN 0.190 nan 8.250 nan 0.000 0.452 411 D N 0.248 120.581 120.400 -0.111 0.000 2.440 411 D HA 0.127 4.768 4.640 0.001 0.000 0.216 411 D C 0.713 176.906 176.300 -0.177 0.000 1.150 411 D CA 0.170 54.107 54.000 -0.105 0.000 0.832 411 D CB 1.162 41.914 40.800 -0.080 0.000 0.992 411 D HN 0.407 nan 8.370 nan 0.000 0.502 412 G N 0.351 108.979 108.800 -0.286 0.000 3.345 412 G HA2 0.086 4.046 3.960 0.001 0.000 0.202 412 G HA3 0.086 4.046 3.960 0.001 0.000 0.202 412 G C 1.087 175.246 174.900 -1.234 0.000 1.740 412 G CA 0.069 44.840 45.100 -0.548 0.000 0.806 412 G HN 0.031 nan 8.290 nan 0.000 0.718 413 V N 1.630 120.619 119.914 -1.542 0.000 2.332 413 V HA -0.072 4.049 4.120 0.001 0.000 0.248 413 V C 2.258 177.821 176.094 -0.885 0.000 1.055 413 V CA 2.524 63.751 62.300 -1.789 0.000 1.038 413 V CB -0.432 30.871 31.823 -0.867 0.000 0.651 413 V HN 0.520 nan 8.190 nan 0.000 0.450 414 M N -0.119 119.269 119.600 -0.352 0.000 2.853 414 M HA 0.222 4.703 4.480 0.001 0.000 0.274 414 M C 1.338 177.692 176.300 0.091 0.000 1.289 414 M CA 0.239 55.531 55.300 -0.013 0.000 1.031 414 M CB 0.140 32.815 32.600 0.126 0.000 1.352 414 M HN 0.527 nan 8.290 nan 0.000 0.485 415 Q N 0.047 119.799 119.800 -0.080 0.000 2.187 415 Q HA 0.100 4.440 4.340 0.001 0.000 0.199 415 Q C -0.300 175.821 176.000 0.202 0.000 0.957 415 Q CA 0.722 56.557 55.803 0.053 0.000 0.857 415 Q CB 0.170 28.907 28.738 -0.003 0.000 0.929 415 Q HN 0.476 nan 8.270 nan 0.000 0.453 416 D N 0.549 121.002 120.400 0.089 0.000 2.217 416 D HA 0.097 4.737 4.640 0.001 0.000 0.248 416 D C 0.104 176.301 176.300 -0.172 0.000 1.008 416 D CA -0.270 53.774 54.000 0.074 0.000 0.914 416 D CB 2.532 43.349 40.800 0.028 0.000 1.182 416 D HN -0.021 nan 8.370 nan 0.000 0.451 417 V N 2.536 122.226 119.914 -0.372 0.000 3.174 417 V HA -0.139 3.981 4.120 0.001 0.000 0.254 417 V C 1.490 177.287 176.094 -0.495 0.000 1.120 417 V CA 1.256 62.932 62.300 -1.039 0.000 1.114 417 V CB -0.521 30.573 31.823 -1.216 0.000 0.756 417 V HN 0.505 nan 8.190 nan 0.000 0.467 418 H N -0.322 118.483 119.070 -0.441 0.000 2.312 418 H HA -0.279 4.277 4.556 0.001 0.000 0.285 418 H C 1.907 177.071 175.328 -0.273 0.000 1.120 418 H CA 3.024 58.803 56.048 -0.447 0.000 1.179 418 H CB -0.684 28.693 29.762 -0.641 0.000 1.349 418 H HN 0.574 nan 8.280 nan 0.000 0.473 419 W N 0.166 121.361 121.300 -0.175 0.000 2.402 419 W HA 0.120 4.781 4.660 0.001 0.000 0.286 419 W C 2.780 179.206 176.519 -0.155 0.000 1.221 419 W CA 0.860 58.006 57.345 -0.332 0.000 1.257 419 W CB -1.105 28.316 29.460 -0.066 0.000 1.120 419 W HN 0.291 nan 8.180 nan 0.000 0.551 420 A N 0.454 123.334 122.820 0.100 0.000 1.902 420 A HA -0.039 4.281 4.320 0.001 0.000 0.217 420 A C 2.263 179.857 177.584 0.016 0.000 1.181 420 A CA 1.937 54.041 52.037 0.112 0.000 0.623 420 A CB -1.283 17.690 19.000 -0.046 0.000 0.818 420 A HN 0.224 nan 8.150 nan 0.000 0.443 421 G N -1.800 106.940 108.800 -0.100 0.000 3.210 421 G HA2 0.375 4.335 3.960 0.001 0.000 0.220 421 G HA3 0.375 4.335 3.960 0.001 0.000 0.220 421 G C 1.117 175.991 174.900 -0.044 0.000 1.200 421 G CA 0.488 45.528 45.100 -0.099 0.000 0.834 421 G HN 1.602 nan 8.290 nan 0.000 0.524 422 G N 0.038 108.844 108.800 0.011 0.000 2.168 422 G HA2 -0.289 3.672 3.960 0.001 0.000 0.257 422 G HA3 -0.289 3.672 3.960 0.001 0.000 0.257 422 G C 0.550 175.499 174.900 0.081 0.000 0.997 422 G CA 0.186 45.362 45.100 0.127 0.000 0.708 422 G HN 0.512 nan 8.290 nan 0.000 0.520 423 L N 0.570 121.719 121.223 -0.123 0.000 2.382 423 L HA 0.395 4.735 4.340 0.001 0.000 0.259 423 L C 0.069 176.933 176.870 -0.010 0.000 1.291 423 L CA -0.168 54.606 54.840 -0.111 0.000 1.176 423 L CB -0.475 41.291 42.059 -0.489 0.000 1.373 423 L HN 0.063 nan 8.230 nan 0.000 0.426 424 F N 0.291 120.487 119.950 0.409 0.000 2.421 424 F HA 0.528 5.055 4.527 0.001 0.000 0.337 424 F C 1.242 177.289 175.800 0.412 0.000 1.105 424 F CA -0.340 57.960 58.000 0.499 0.000 1.049 424 F CB 1.846 41.161 39.000 0.525 0.000 1.139 424 F HN 0.464 nan 8.300 nan 0.000 0.479 425 G N 2.125 111.303 108.800 0.629 0.000 2.136 425 G HA2 -0.377 3.583 3.960 0.001 0.000 0.242 425 G HA3 -0.377 3.583 3.960 0.001 0.000 0.242 425 G C 0.277 175.413 174.900 0.393 0.000 0.989 425 G CA 0.536 45.839 45.100 0.337 0.000 0.682 425 G HN 0.748 nan 8.290 nan 0.000 0.522 426 Y N -0.487 119.870 120.300 0.094 0.000 2.422 426 Y HA 0.383 4.933 4.550 0.000 0.000 0.291 426 Y C 2.477 178.327 175.900 -0.083 0.000 1.144 426 Y CA 1.206 59.113 58.100 -0.321 0.000 1.208 426 Y CB -0.045 37.960 38.460 -0.757 0.000 1.195 426 Y HN 0.122 nan 8.280 nan 0.000 0.535 427 F N 1.250 121.481 119.950 0.468 0.000 2.087 427 F HA -0.195 4.332 4.527 0.001 0.000 0.299 427 F C -0.612 175.415 175.800 0.379 0.000 1.100 427 F CA 1.846 60.141 58.000 0.491 0.000 1.226 427 F CB -2.218 36.992 39.000 0.350 0.000 0.983 427 F HN 0.122 nan 8.300 nan 0.000 0.479 428 P HA -0.195 nan 4.420 nan 0.000 0.218 428 P C 1.678 179.147 177.300 0.282 0.000 1.146 428 P CA 2.547 65.885 63.100 0.397 0.000 0.820 428 P CB -0.546 31.353 31.700 0.332 0.000 0.778 429 T N -4.469 110.145 114.554 0.101 0.000 2.803 429 T HA -0.247 4.103 4.350 0.001 0.000 0.269 429 T C 1.579 176.289 174.700 0.017 0.000 1.052 429 T CA 1.195 63.270 62.100 -0.042 0.000 1.136 429 T CB -1.417 67.256 68.868 -0.325 0.000 0.864 429 T HN 0.048 nan 8.240 nan 0.000 0.467 430 Y N 2.204 122.618 120.300 0.190 0.000 2.114 430 Y HA -0.066 4.484 4.550 0.000 0.000 0.284 430 Y C 3.236 179.230 175.900 0.158 0.000 1.143 430 Y CA 1.598 59.851 58.100 0.254 0.000 1.135 430 Y CB -1.231 37.502 38.460 0.456 0.000 0.980 430 Y HN 0.218 nan 8.280 nan 0.000 0.499 431 T N 0.549 115.294 114.554 0.318 0.000 2.788 431 T HA -0.152 4.198 4.350 0.001 0.000 0.268 431 T C 2.077 176.657 174.700 -0.200 0.000 1.044 431 T CA 1.267 63.389 62.100 0.036 0.000 1.139 431 T CB -0.565 68.313 68.868 0.018 0.000 0.867 431 T HN 0.218 nan 8.240 nan 0.000 0.454 432 L N 0.647 121.765 121.223 -0.175 0.000 2.131 432 L HA -0.038 4.302 4.340 0.001 0.000 0.210 432 L C 2.957 179.521 176.870 -0.509 0.000 1.092 432 L CA 1.246 55.775 54.840 -0.519 0.000 0.759 432 L CB -1.016 40.787 42.059 -0.427 0.000 0.903 432 L HN 0.352 nan 8.230 nan 0.000 0.435 433 G N 0.195 108.929 108.800 -0.110 0.000 2.433 433 G HA2 -0.291 3.669 3.960 0.001 0.000 0.216 433 G HA3 -0.291 3.669 3.960 0.001 0.000 0.216 433 G C 1.298 176.182 174.900 -0.027 0.000 1.186 433 G CA 1.159 46.298 45.100 0.066 0.000 0.779 433 G HN 0.442 nan 8.290 nan 0.000 0.543 434 N N 0.030 118.629 118.700 -0.169 0.000 2.120 434 N HA -0.017 4.723 4.740 0.001 0.000 0.188 434 N C 2.222 177.445 175.510 -0.478 0.000 1.024 434 N CA 0.718 53.554 53.050 -0.355 0.000 0.852 434 N CB -0.153 37.984 38.487 -0.584 0.000 1.003 434 N HN 0.249 nan 8.380 nan 0.000 0.424 435 L N -0.390 120.526 121.223 -0.511 0.000 2.056 435 L HA -0.148 4.192 4.340 0.001 0.000 0.207 435 L C 1.821 178.623 176.870 -0.112 0.000 1.078 435 L CA 0.953 55.573 54.840 -0.367 0.000 0.749 435 L CB -0.492 41.318 42.059 -0.416 0.000 0.901 435 L HN 0.232 nan 8.230 nan 0.000 0.433 436 Y N 0.171 120.430 120.300 -0.069 0.000 2.181 436 Y HA -0.200 4.350 4.550 0.001 0.000 0.288 436 Y C 2.669 178.644 175.900 0.125 0.000 1.146 436 Y CA 0.572 58.640 58.100 -0.054 0.000 1.164 436 Y CB -1.275 37.256 38.460 0.117 0.000 0.982 436 Y HN 0.118 nan 8.280 nan 0.000 0.515 437 A N 0.411 123.441 122.820 0.350 0.000 1.849 437 A HA -0.223 4.098 4.320 0.001 0.000 0.217 437 A C 2.581 180.322 177.584 0.261 0.000 1.202 437 A CA 2.690 54.923 52.037 0.327 0.000 0.629 437 A CB -1.450 17.617 19.000 0.110 0.000 0.834 437 A HN 0.407 nan 8.150 nan 0.000 0.447 438 A N -1.145 121.743 122.820 0.112 0.000 1.892 438 A HA -0.313 4.007 4.320 0.001 0.000 0.218 438 A C 2.236 179.932 177.584 0.186 0.000 1.188 438 A CA 2.264 54.368 52.037 0.112 0.000 0.631 438 A CB -0.770 18.358 19.000 0.214 0.000 0.822 438 A HN 0.698 nan 8.150 nan 0.000 0.447 439 Q N -1.929 117.947 119.800 0.128 0.000 2.124 439 Q HA -0.169 4.171 4.340 0.001 0.000 0.202 439 Q C 1.745 177.809 176.000 0.106 0.000 0.977 439 Q CA 1.746 57.584 55.803 0.059 0.000 0.850 439 Q CB -0.205 28.498 28.738 -0.057 0.000 0.901 439 Q HN 0.641 nan 8.270 nan 0.000 0.429 440 F N -0.771 119.317 119.950 0.231 0.000 2.113 440 F HA -0.141 4.386 4.527 0.001 0.000 0.297 440 F C 1.911 177.871 175.800 0.267 0.000 1.103 440 F CA 0.942 59.127 58.000 0.307 0.000 1.248 440 F CB -0.742 38.461 39.000 0.340 0.000 0.999 440 F HN 0.127 nan 8.300 nan 0.000 0.475 441 F N 0.971 121.092 119.950 0.285 0.000 2.161 441 F HA -0.277 4.251 4.527 0.000 0.000 0.300 441 F C 2.651 178.428 175.800 -0.038 0.000 1.089 441 F CA 2.001 60.046 58.000 0.075 0.000 1.282 441 F CB -0.678 38.308 39.000 -0.023 0.000 1.010 441 F HN 0.042 nan 8.300 nan 0.000 0.485 442 Q N 0.115 119.995 119.800 0.134 0.000 2.050 442 Q HA -0.297 4.044 4.340 0.001 0.000 0.202 442 Q C 2.274 178.233 176.000 -0.068 0.000 0.980 442 Q CA 1.988 57.807 55.803 0.028 0.000 0.840 442 Q CB -0.214 28.577 28.738 0.089 0.000 0.898 442 Q HN 0.236 nan 8.270 nan 0.000 0.424 443 K N 0.352 120.753 120.400 0.001 0.000 2.057 443 K HA -0.104 4.217 4.320 0.001 0.000 0.207 443 K C 1.741 178.222 176.600 -0.199 0.000 1.049 443 K CA 1.549 57.844 56.287 0.014 0.000 0.931 443 K CB -0.561 32.072 32.500 0.222 0.000 0.714 443 K HN 0.308 nan 8.250 nan 0.000 0.440 444 A N 0.866 123.345 122.820 -0.569 0.000 1.877 444 A HA -0.168 4.152 4.320 0.001 0.000 0.216 444 A C 2.050 179.207 177.584 -0.712 0.000 1.186 444 A CA 1.804 53.129 52.037 -1.187 0.000 0.620 444 A CB -0.590 17.498 19.000 -1.520 0.000 0.822 444 A HN 0.491 nan 8.150 nan 0.000 0.443 445 E N -0.421 119.404 120.200 -0.625 0.000 2.110 445 E HA -0.139 4.211 4.350 0.001 0.000 0.193 445 E C 2.142 178.564 176.600 -0.297 0.000 0.988 445 E CA 0.915 57.020 56.400 -0.492 0.000 0.804 445 E CB -0.249 29.167 29.700 -0.474 0.000 0.745 445 E HN 0.609 nan 8.360 nan 0.000 0.458 446 A N 0.784 123.468 122.820 -0.226 0.000 2.172 446 A HA -0.161 4.160 4.320 0.001 0.000 0.216 446 A C 1.642 179.163 177.584 -0.106 0.000 1.154 446 A CA 1.062 53.022 52.037 -0.128 0.000 0.701 446 A CB -0.078 18.879 19.000 -0.072 0.000 0.789 446 A HN 0.167 nan 8.150 nan 0.000 0.465 447 E N -1.142 118.967 120.200 -0.153 0.000 2.399 447 E HA 0.206 4.556 4.350 0.001 0.000 0.205 447 E C 1.259 177.801 176.600 -0.098 0.000 0.906 447 E CA 0.077 56.428 56.400 -0.083 0.000 0.998 447 E CB 0.199 29.896 29.700 -0.006 0.000 1.002 447 E HN 0.564 nan 8.360 nan 0.000 0.501 448 L N -0.105 121.006 121.223 -0.186 0.000 2.590 448 L HA 0.316 4.656 4.340 0.001 0.000 0.227 448 L C 0.854 177.644 176.870 -0.134 0.000 1.099 448 L CA 0.163 54.920 54.840 -0.139 0.000 0.872 448 L CB 0.374 42.329 42.059 -0.173 0.000 1.088 448 L HN 0.098 nan 8.230 nan 0.000 0.479 449 G N 1.076 109.779 108.800 -0.163 0.000 2.663 449 G HA2 -0.129 3.831 3.960 0.001 0.000 0.686 449 G HA3 -0.129 3.831 3.960 0.001 0.000 0.686 449 G C -2.743 172.036 174.900 -0.203 0.000 1.246 449 G CA -1.095 43.918 45.100 -0.146 0.000 0.795 449 G HN -0.035 nan 8.290 nan 0.000 0.627 450 P HA 0.019 nan 4.420 nan 0.000 0.257 450 P C 1.220 178.338 177.300 -0.304 0.000 1.162 450 P CA 0.354 63.323 63.100 -0.219 0.000 0.762 450 P CB 0.301 31.911 31.700 -0.151 0.000 0.753 451 L N 2.384 123.330 121.223 -0.462 0.000 2.202 451 L HA -0.066 4.274 4.340 0.001 0.000 0.205 451 L C 2.626 178.951 176.870 -0.908 0.000 1.083 451 L CA 0.789 55.185 54.840 -0.739 0.000 0.790 451 L CB -0.755 40.663 42.059 -1.069 0.000 0.942 451 L HN 0.407 nan 8.230 nan 0.000 0.452 452 E N 1.361 121.176 120.200 -0.642 0.000 2.136 452 E HA -0.269 4.082 4.350 0.001 0.000 0.208 452 E C -0.541 175.925 176.600 -0.223 0.000 1.035 452 E CA 2.304 58.483 56.400 -0.368 0.000 0.838 452 E CB -1.107 28.514 29.700 -0.132 0.000 0.748 452 E HN 0.298 nan 8.360 nan 0.000 0.459 453 P HA -0.117 nan 4.420 nan 0.000 0.215 453 P C 1.347 178.582 177.300 -0.107 0.000 1.157 453 P CA 1.434 64.463 63.100 -0.118 0.000 0.863 453 P CB -0.145 31.488 31.700 -0.112 0.000 0.787 454 R N -1.154 119.254 120.500 -0.153 0.000 2.091 454 R HA -0.099 4.242 4.340 0.001 0.000 0.238 454 R C 2.168 178.453 176.300 -0.025 0.000 1.136 454 R CA 1.271 57.322 56.100 -0.082 0.000 0.959 454 R CB -1.697 28.566 30.300 -0.062 0.000 0.856 454 R HN 0.259 nan 8.270 nan 0.000 0.437 455 F N 0.883 120.695 119.950 -0.230 0.000 2.216 455 F HA 0.002 4.530 4.527 0.000 0.000 0.300 455 F C 2.504 178.131 175.800 -0.289 0.000 1.085 455 F CA 0.313 58.105 58.000 -0.346 0.000 1.326 455 F CB -1.338 37.734 39.000 0.121 0.000 1.027 455 F HN 0.044 nan 8.300 nan 0.000 0.497 456 A N 0.807 123.647 122.820 0.033 0.000 2.024 456 A HA -0.195 4.125 4.320 0.001 0.000 0.220 456 A C 1.992 179.505 177.584 -0.117 0.000 1.164 456 A CA 1.560 53.578 52.037 -0.032 0.000 0.643 456 A CB -0.728 18.265 19.000 -0.011 0.000 0.806 456 A HN 0.505 nan 8.150 nan 0.000 0.451 457 R N -1.773 118.648 120.500 -0.133 0.000 2.552 457 R HA 0.422 4.762 4.340 0.001 0.000 0.314 457 R C 0.886 177.084 176.300 -0.170 0.000 1.041 457 R CA 0.406 56.431 56.100 -0.125 0.000 1.076 457 R CB -0.669 29.588 30.300 -0.072 0.000 1.290 457 R HN 0.614 nan 8.270 nan 0.000 0.563 458 G N 1.419 110.023 108.800 -0.327 0.000 2.179 458 G HA2 -0.327 3.633 3.960 0.001 0.000 0.257 458 G HA3 -0.327 3.633 3.960 0.001 0.000 0.257 458 G C -0.345 174.319 174.900 -0.394 0.000 1.010 458 G CA 0.383 45.266 45.100 -0.361 0.000 0.736 458 G HN 0.611 nan 8.290 nan 0.000 0.513 459 E N -0.113 119.844 120.200 -0.405 0.000 1.964 459 E HA 0.442 4.792 4.350 0.001 0.000 0.264 459 E C 0.490 177.054 176.600 -0.059 0.000 1.120 459 E CA -0.571 55.753 56.400 -0.127 0.000 1.061 459 E CB -0.067 29.615 29.700 -0.029 0.000 1.190 459 E HN 0.445 nan 8.360 nan 0.000 0.459 460 F N 0.345 120.481 119.950 0.310 0.000 2.582 460 F HA -0.010 4.517 4.527 0.000 0.000 0.290 460 F C 2.412 178.469 175.800 0.428 0.000 1.115 460 F CA -0.002 58.229 58.000 0.385 0.000 1.445 460 F CB 0.032 39.266 39.000 0.391 0.000 1.126 460 F HN 0.246 nan 8.300 nan 0.000 0.574 461 Q N 1.656 121.735 119.800 0.465 0.000 2.029 461 Q HA -0.188 4.153 4.340 0.001 0.000 0.209 461 Q C -0.741 175.451 176.000 0.320 0.000 0.999 461 Q CA 2.421 58.427 55.803 0.338 0.000 0.857 461 Q CB -1.724 27.151 28.738 0.229 0.000 0.926 461 Q HN 0.129 nan 8.270 nan 0.000 0.415 462 P HA -0.142 nan 4.420 nan 0.000 0.217 462 P C 0.879 178.390 177.300 0.353 0.000 1.148 462 P CA 1.151 64.409 63.100 0.264 0.000 0.828 462 P CB -0.238 31.586 31.700 0.206 0.000 0.783 463 F N 0.091 120.217 119.950 0.294 0.000 2.163 463 F HA -0.067 4.460 4.527 0.000 0.000 0.297 463 F C 1.912 177.953 175.800 0.402 0.000 1.094 463 F CA 0.854 59.035 58.000 0.303 0.000 1.290 463 F CB -1.119 38.089 39.000 0.346 0.000 1.017 463 F HN -0.244 nan 8.300 nan 0.000 0.483 464 L N 1.055 122.457 121.223 0.298 0.000 1.989 464 L HA -0.224 4.116 4.340 0.001 0.000 0.211 464 L C 2.039 178.936 176.870 0.045 0.000 1.071 464 L CA 2.245 57.196 54.840 0.186 0.000 0.749 464 L CB -1.237 40.994 42.059 0.287 0.000 0.890 464 L HN 0.106 nan 8.230 nan 0.000 0.431 465 D N -1.367 119.104 120.400 0.118 0.000 2.149 465 D HA -0.280 4.361 4.640 0.001 0.000 0.198 465 D C 1.831 178.148 176.300 0.028 0.000 0.990 465 D CA 1.611 55.653 54.000 0.070 0.000 0.839 465 D CB -0.467 40.398 40.800 0.108 0.000 0.948 465 D HN 0.626 nan 8.370 nan 0.000 0.460 466 W N 1.942 123.180 121.300 -0.104 0.000 2.358 466 W HA -0.223 4.437 4.660 0.000 0.000 0.303 466 W C 2.515 178.879 176.519 -0.257 0.000 1.208 466 W CA 2.785 60.054 57.345 -0.127 0.000 1.274 466 W CB -0.396 29.028 29.460 -0.060 0.000 1.138 466 W HN 0.015 nan 8.180 nan 0.000 0.515 467 T N -1.492 112.938 114.554 -0.207 0.000 2.867 467 T HA -0.137 4.214 4.350 0.001 0.000 0.268 467 T C 1.781 175.979 174.700 -0.838 0.000 1.057 467 T CA 1.386 63.146 62.100 -0.567 0.000 1.136 467 T CB -0.455 68.059 68.868 -0.589 0.000 0.874 467 T HN 0.240 nan 8.240 nan 0.000 0.466 468 R N 0.783 120.926 120.500 -0.594 0.000 2.153 468 R HA 0.352 4.692 4.340 0.001 0.000 0.218 468 R C 2.853 179.011 176.300 -0.237 0.000 1.072 468 R CA 0.894 56.767 56.100 -0.379 0.000 0.990 468 R CB -0.347 29.893 30.300 -0.100 0.000 0.889 468 R HN 0.530 nan 8.270 nan 0.000 0.452 469 A N 0.933 123.578 122.820 -0.292 0.000 1.898 469 A HA -0.033 4.287 4.320 0.001 0.000 0.214 469 A C 1.883 179.270 177.584 -0.328 0.000 1.183 469 A CA 0.778 52.667 52.037 -0.248 0.000 0.622 469 A CB 0.035 18.894 19.000 -0.235 0.000 0.824 469 A HN 0.033 nan 8.150 nan 0.000 0.444 470 R N -0.719 119.438 120.500 -0.573 0.000 2.173 470 R HA 0.293 4.633 4.340 0.001 0.000 0.208 470 R C 1.408 177.464 176.300 -0.406 0.000 1.035 470 R CA 0.905 56.660 56.100 -0.576 0.000 1.004 470 R CB -0.370 29.311 30.300 -1.032 0.000 0.917 470 R HN 0.624 nan 8.270 nan 0.000 0.462 471 I N -1.917 118.393 120.570 -0.433 0.000 3.809 471 I HA 0.034 4.205 4.170 0.001 0.000 0.245 471 I C 1.864 177.973 176.117 -0.015 0.000 1.119 471 I CA -0.193 60.933 61.300 -0.291 0.000 1.597 471 I CB -0.472 37.206 38.000 -0.537 0.000 1.605 471 I HN 0.034 nan 8.210 nan 0.000 0.441 472 H N 1.578 120.577 119.070 -0.118 0.000 2.325 472 H HA -0.237 4.319 4.556 0.000 0.000 0.293 472 H C 2.209 177.607 175.328 0.116 0.000 1.106 472 H CA 1.310 57.441 56.048 0.139 0.000 1.247 472 H CB -0.148 29.680 29.762 0.109 0.000 1.359 472 H HN 0.454 nan 8.280 nan 0.000 0.488 473 A N 1.146 124.060 122.820 0.158 0.000 2.067 473 A HA -0.139 4.182 4.320 0.001 0.000 0.219 473 A C 1.998 179.635 177.584 0.089 0.000 1.158 473 A CA 1.211 53.310 52.037 0.104 0.000 0.661 473 A CB -0.026 19.002 19.000 0.048 0.000 0.801 473 A HN 0.341 nan 8.150 nan 0.000 0.452 474 E N -0.332 119.923 120.200 0.093 0.000 2.427 474 E HA 0.133 4.483 4.350 0.001 0.000 0.196 474 E C 1.625 178.253 176.600 0.047 0.000 1.028 474 E CA 0.573 57.030 56.400 0.095 0.000 0.864 474 E CB -0.689 29.132 29.700 0.202 0.000 0.813 474 E HN 0.614 nan 8.360 nan 0.000 0.514 475 G N 1.623 110.472 108.800 0.082 0.000 2.652 475 G HA2 -0.357 3.603 3.960 0.001 0.000 0.318 475 G HA3 -0.357 3.603 3.960 0.001 0.000 0.318 475 G C 0.671 175.587 174.900 0.026 0.000 1.295 475 G CA 0.723 45.843 45.100 0.033 0.000 0.999 475 G HN 0.319 nan 8.290 nan 0.000 0.548 476 S N 0.412 116.077 115.700 -0.058 0.000 2.561 476 S HA 0.250 4.720 4.470 0.001 0.000 0.245 476 S C 1.631 176.143 174.600 -0.147 0.000 1.001 476 S CA 0.708 58.872 58.200 -0.060 0.000 1.002 476 S CB 0.656 63.809 63.200 -0.079 0.000 0.805 476 S HN 0.694 nan 8.310 nan 0.000 0.458 477 R N 0.880 121.243 120.500 -0.227 0.000 2.193 477 R HA 0.024 4.364 4.340 0.001 0.000 0.229 477 R C -0.746 175.161 176.300 -0.654 0.000 1.110 477 R CA 1.261 57.064 56.100 -0.494 0.000 0.988 477 R CB 0.089 29.987 30.300 -0.670 0.000 0.871 477 R HN 0.243 nan 8.270 nan 0.000 0.458 478 F N 0.557 120.479 119.950 -0.047 0.000 2.540 478 F HA 0.465 4.992 4.527 0.000 0.000 0.317 478 F C 0.033 175.821 175.800 -0.021 0.000 1.104 478 F CA -1.222 56.757 58.000 -0.034 0.000 0.913 478 F CB 1.209 40.191 39.000 -0.029 0.000 1.170 478 F HN -0.263 nan 8.300 nan 0.000 0.450 479 R N 2.610 123.214 120.500 0.172 0.000 2.756 479 R HA 0.059 4.399 4.340 0.001 0.000 0.264 479 R C -1.699 174.654 176.300 0.089 0.000 1.026 479 R CA -1.074 55.087 56.100 0.102 0.000 1.121 479 R CB 0.106 30.455 30.300 0.081 0.000 0.999 479 R HN 0.316 nan 8.270 nan 0.000 0.449 480 P HA -0.184 nan 4.420 nan 0.000 0.214 480 P C 0.992 178.245 177.300 -0.078 0.000 1.169 480 P CA 1.669 64.757 63.100 -0.021 0.000 0.908 480 P CB 0.066 31.783 31.700 0.028 0.000 0.791 481 R N -0.625 119.881 120.500 0.009 0.000 2.083 481 R HA -0.098 4.243 4.340 0.001 0.000 0.237 481 R C 2.203 178.493 176.300 -0.016 0.000 1.137 481 R CA 1.444 57.554 56.100 0.017 0.000 0.951 481 R CB -1.520 28.824 30.300 0.072 0.000 0.851 481 R HN 0.117 nan 8.270 nan 0.000 0.434 482 V N 1.694 121.614 119.914 0.011 0.000 2.255 482 V HA -0.256 3.864 4.120 0.001 0.000 0.247 482 V C 2.298 178.339 176.094 -0.088 0.000 1.051 482 V CA 1.801 64.095 62.300 -0.010 0.000 1.018 482 V CB -0.593 31.273 31.823 0.072 0.000 0.641 482 V HN 0.248 nan 8.190 nan 0.000 0.445 483 L N 0.082 121.278 121.223 -0.044 0.000 2.012 483 L HA -0.154 4.186 4.340 0.001 0.000 0.210 483 L C 2.375 179.202 176.870 -0.072 0.000 1.073 483 L CA 1.937 56.730 54.840 -0.077 0.000 0.748 483 L CB -0.632 41.459 42.059 0.055 0.000 0.891 483 L HN 0.117 nan 8.230 nan 0.000 0.431 484 V N -0.159 119.687 119.914 -0.114 0.000 2.282 484 V HA -0.350 3.770 4.120 0.001 0.000 0.249 484 V C 2.652 178.650 176.094 -0.160 0.000 1.057 484 V CA 2.265 64.423 62.300 -0.237 0.000 1.032 484 V CB -0.666 30.940 31.823 -0.362 0.000 0.645 484 V HN 0.599 nan 8.190 nan 0.000 0.447 485 E N -0.295 119.836 120.200 -0.114 0.000 2.106 485 E HA -0.244 4.107 4.350 0.001 0.000 0.192 485 E C 2.481 179.025 176.600 -0.094 0.000 0.984 485 E CA 1.026 57.376 56.400 -0.084 0.000 0.806 485 E CB -0.086 29.577 29.700 -0.062 0.000 0.750 485 E HN 0.450 nan 8.360 nan 0.000 0.458 486 R N 0.141 120.551 120.500 -0.149 0.000 2.081 486 R HA -0.136 4.204 4.340 0.001 0.000 0.235 486 R C 2.094 178.325 176.300 -0.114 0.000 1.131 486 R CA 1.467 57.447 56.100 -0.199 0.000 0.960 486 R CB -0.022 30.032 30.300 -0.410 0.000 0.856 486 R HN 0.086 nan 8.270 nan 0.000 0.436 487 V N 0.046 119.928 119.914 -0.053 0.000 2.331 487 V HA -0.152 3.969 4.120 0.001 0.000 0.242 487 V C 2.355 178.520 176.094 0.118 0.000 1.034 487 V CA 2.133 64.460 62.300 0.045 0.000 1.027 487 V CB -0.247 31.695 31.823 0.199 0.000 0.667 487 V HN 0.635 nan 8.190 nan 0.000 0.457 488 T N -2.582 112.014 114.554 0.070 0.000 3.067 488 T HA 0.247 4.597 4.350 0.001 0.000 0.257 488 T C 1.575 176.295 174.700 0.033 0.000 1.105 488 T CA 1.009 63.151 62.100 0.069 0.000 1.104 488 T CB 0.511 69.369 68.868 -0.017 0.000 0.925 488 T HN 1.010 nan 8.240 nan 0.000 0.498 489 G N 0.706 109.508 108.800 0.004 0.000 2.159 489 G HA2 -0.166 3.794 3.960 0.001 0.000 0.256 489 G HA3 -0.166 3.794 3.960 0.001 0.000 0.256 489 G C -0.268 174.628 174.900 -0.007 0.000 0.977 489 G CA 0.174 45.273 45.100 -0.002 0.000 0.652 489 G HN 0.635 nan 8.290 nan 0.000 0.531 490 E N -0.703 119.487 120.200 -0.016 0.000 2.366 490 E HA 0.659 5.009 4.350 0.001 0.000 0.278 490 E C 0.242 176.832 176.600 -0.017 0.000 0.923 490 E CA -0.042 56.352 56.400 -0.010 0.000 0.761 490 E CB 1.562 31.262 29.700 0.000 0.000 1.231 490 E HN 0.897 nan 8.360 nan 0.000 0.443 491 A N 3.175 125.994 122.820 -0.002 0.000 2.483 491 A HA 0.330 4.650 4.320 0.001 0.000 0.238 491 A C -1.958 175.639 177.584 0.022 0.000 1.070 491 A CA -0.830 51.214 52.037 0.010 0.000 0.770 491 A CB -0.626 18.389 19.000 0.024 0.000 1.008 491 A HN 0.302 nan 8.150 nan 0.000 0.497 492 P HA -0.021 nan 4.420 nan 0.000 0.259 492 P C -0.243 177.085 177.300 0.048 0.000 1.163 492 P CA 0.757 63.910 63.100 0.089 0.000 0.760 492 P CB 0.507 32.349 31.700 0.236 0.000 0.762 493 S N 2.041 117.757 115.700 0.026 0.000 2.570 493 S HA 0.593 5.063 4.470 0.001 0.000 0.286 493 S C 0.992 175.597 174.600 0.008 0.000 1.099 493 S CA -0.186 58.024 58.200 0.017 0.000 0.913 493 S CB 1.449 64.664 63.200 0.026 0.000 1.085 493 S HN 0.382 nan 8.310 nan 0.000 0.480 494 A N 3.268 126.092 122.820 0.005 0.000 2.169 494 A HA 0.169 4.490 4.320 0.001 0.000 0.212 494 A C 1.947 179.588 177.584 0.094 0.000 1.153 494 A CA 0.447 52.497 52.037 0.023 0.000 0.756 494 A CB -0.282 18.709 19.000 -0.014 0.000 0.813 494 A HN 0.874 nan 8.150 nan 0.000 0.471 495 R N -0.007 120.534 120.500 0.067 0.000 2.073 495 R HA -0.091 4.249 4.340 0.001 0.000 0.234 495 R C -0.757 175.601 176.300 0.096 0.000 1.134 495 R CA 1.742 57.883 56.100 0.069 0.000 0.952 495 R CB -1.425 28.903 30.300 0.046 0.000 0.850 495 R HN 0.350 nan 8.270 nan 0.000 0.433 496 P HA -0.188 nan 4.420 nan 0.000 0.216 496 P C 0.910 178.336 177.300 0.211 0.000 1.150 496 P CA 1.108 64.288 63.100 0.135 0.000 0.837 496 P CB -0.026 31.743 31.700 0.115 0.000 0.786 497 F N -0.050 119.934 119.950 0.056 0.000 2.163 497 F HA -0.080 4.448 4.527 0.000 0.000 0.297 497 F C 1.923 177.806 175.800 0.139 0.000 1.094 497 F CA 1.268 59.323 58.000 0.092 0.000 1.290 497 F CB -0.951 38.059 39.000 0.017 0.000 1.017 497 F HN -0.261 nan 8.300 nan 0.000 0.483 498 L N -0.157 121.070 121.223 0.007 0.000 2.083 498 L HA -0.187 4.154 4.340 0.001 0.000 0.209 498 L C 2.763 179.578 176.870 -0.092 0.000 1.083 498 L CA 1.040 55.805 54.840 -0.125 0.000 0.752 498 L CB -1.217 40.828 42.059 -0.023 0.000 0.899 498 L HN 0.262 nan 8.230 nan 0.000 0.433 499 A N -0.049 122.775 122.820 0.006 0.000 1.834 499 A HA -0.327 3.993 4.320 0.001 0.000 0.216 499 A C 2.163 179.760 177.584 0.022 0.000 1.203 499 A CA 1.923 53.975 52.037 0.025 0.000 0.621 499 A CB -1.233 17.808 19.000 0.068 0.000 0.841 499 A HN 0.466 nan 8.150 nan 0.000 0.446 500 Y N 0.682 120.955 120.300 -0.045 0.000 2.029 500 Y HA -0.335 4.215 4.550 0.001 0.000 0.269 500 Y C 1.996 177.856 175.900 -0.067 0.000 1.201 500 Y CA 2.315 60.393 58.100 -0.036 0.000 1.115 500 Y CB -0.758 37.690 38.460 -0.020 0.000 0.945 500 Y HN 0.242 nan 8.280 nan 0.000 0.497 501 L N 0.038 120.986 121.223 -0.458 0.000 1.970 501 L HA -0.265 4.076 4.340 0.001 0.000 0.212 501 L C 2.577 179.325 176.870 -0.204 0.000 1.071 501 L CA 2.068 56.611 54.840 -0.495 0.000 0.751 501 L CB -0.775 40.937 42.059 -0.579 0.000 0.889 501 L HN 0.323 nan 8.230 nan 0.000 0.432 502 E N -0.037 120.064 120.200 -0.164 0.000 2.086 502 E HA -0.334 4.016 4.350 0.001 0.000 0.200 502 E C 2.154 178.731 176.600 -0.037 0.000 1.012 502 E CA 1.918 58.274 56.400 -0.073 0.000 0.812 502 E CB -0.123 29.540 29.700 -0.061 0.000 0.743 502 E HN 0.320 nan 8.360 nan 0.000 0.453 503 K N 1.310 121.674 120.400 -0.059 0.000 1.985 503 K HA -0.232 4.089 4.320 0.001 0.000 0.210 503 K C 2.230 178.792 176.600 -0.063 0.000 1.047 503 K CA 1.688 57.948 56.287 -0.044 0.000 0.932 503 K CB -0.058 32.424 32.500 -0.029 0.000 0.716 503 K HN -0.102 nan 8.250 nan 0.000 0.439 504 K N -0.362 119.955 120.400 -0.138 0.000 2.020 504 K HA -0.197 4.124 4.320 0.001 0.000 0.212 504 K C 1.674 178.126 176.600 -0.247 0.000 1.050 504 K CA 1.842 58.006 56.287 -0.204 0.000 0.929 504 K CB -0.208 32.067 32.500 -0.376 0.000 0.714 504 K HN 0.226 nan 8.250 nan 0.000 0.443 505 Y N -0.083 120.124 120.300 -0.155 0.000 2.502 505 Y HA 0.113 4.664 4.550 0.001 0.000 0.295 505 Y C 1.749 177.650 175.900 0.001 0.000 1.193 505 Y CA 0.350 58.411 58.100 -0.065 0.000 1.295 505 Y CB -0.032 38.370 38.460 -0.096 0.000 1.059 505 Y HN 0.213 nan 8.280 nan 0.000 0.514 506 A N -0.380 122.472 122.820 0.054 0.000 1.943 506 A HA 0.144 4.465 4.320 0.001 0.000 0.213 506 A C 2.341 179.951 177.584 0.043 0.000 1.181 506 A CA 1.155 53.223 52.037 0.051 0.000 0.653 506 A CB -0.710 18.302 19.000 0.021 0.000 0.833 506 A HN 0.332 nan 8.150 nan 0.000 0.451 507 A N -0.304 122.522 122.820 0.010 0.000 1.855 507 A HA 0.191 4.512 4.320 0.001 0.000 0.213 507 A C 1.973 179.583 177.584 0.042 0.000 1.195 507 A CA 1.355 53.400 52.037 0.014 0.000 0.610 507 A CB -0.620 18.377 19.000 -0.004 0.000 0.837 507 A HN 0.335 nan 8.150 nan 0.000 0.444 508 L N -1.458 119.771 121.223 0.009 0.000 1.921 508 L HA -0.131 4.210 4.340 0.001 0.000 0.219 508 L C 1.596 178.616 176.870 0.250 0.000 1.081 508 L CA 1.617 56.505 54.840 0.079 0.000 0.771 508 L CB -1.306 40.570 42.059 -0.304 0.000 0.888 508 L HN 0.467 nan 8.230 nan 0.000 0.433 509 Y N 0.926 121.337 120.300 0.184 0.000 3.213 509 Y HA 0.231 4.782 4.550 0.001 0.000 0.383 509 Y C 1.508 177.501 175.900 0.154 0.000 1.006 509 Y CA 0.061 58.312 58.100 0.252 0.000 1.932 509 Y CB -1.158 37.403 38.460 0.169 0.000 2.090 509 Y HN 0.343 nan 8.280 nan 0.000 0.427 510 G N 0.000 108.910 108.800 0.183 0.000 5.446 510 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 510 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 510 G CA 0.000 45.159 45.100 0.099 0.000 0.502 510 G HN 0.000 nan 8.290 nan 0.000 0.925