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 3hoa_1_A 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 LEKKYAALY 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 0.000 176.326 176.300 0.044 0.000 1.140 1 M CA 0.000 55.328 55.300 0.047 0.000 0.988 1 M CB 0.000 32.646 32.600 0.077 0.000 1.302 2 T N 2.244 116.818 114.554 0.034 0.000 2.813 2 T HA 0.433 4.752 4.350 -0.052 0.000 0.297 2 T C -1.842 172.883 174.700 0.042 0.000 1.036 2 T CA -0.820 61.299 62.100 0.031 0.000 1.044 2 T CB 0.404 69.286 68.868 0.023 0.000 0.993 2 T HN 0.587 nan 8.240 nan 0.000 0.535 3 P HA -0.087 nan 4.420 nan 0.000 0.218 3 P C 0.951 178.293 177.300 0.070 0.000 1.149 3 P CA 1.145 64.278 63.100 0.055 0.000 0.817 3 P CB 0.123 31.844 31.700 0.035 0.000 0.785 4 E N 0.996 121.228 120.200 0.053 0.000 2.051 4 E HA -0.132 4.187 4.350 -0.052 0.000 0.192 4 E C 2.385 179.024 176.600 0.066 0.000 0.991 4 E CA 1.662 58.105 56.400 0.073 0.000 0.799 4 E CB -1.220 28.507 29.700 0.044 0.000 0.748 4 E HN 0.206 nan 8.360 nan 0.000 0.449 5 A N 1.208 124.041 122.820 0.021 0.000 1.933 5 A HA -0.090 4.198 4.320 -0.052 0.000 0.218 5 A C 2.384 179.900 177.584 -0.112 0.000 1.175 5 A CA 1.834 53.852 52.037 -0.032 0.000 0.628 5 A CB -0.884 18.108 19.000 -0.013 0.000 0.814 5 A HN 0.292 nan 8.150 nan 0.000 0.444 6 A N -1.366 121.424 122.820 -0.049 0.000 1.858 6 A HA -0.118 4.170 4.320 -0.052 0.000 0.216 6 A C 2.164 179.624 177.584 -0.207 0.000 1.190 6 A CA 1.686 53.654 52.037 -0.116 0.000 0.617 6 A CB -0.930 18.136 19.000 0.110 0.000 0.827 6 A HN 0.719 nan 8.150 nan 0.000 0.443 7 Y N 0.345 120.575 120.300 -0.117 0.000 2.165 7 Y HA -0.264 4.255 4.550 -0.052 0.000 0.286 7 Y C 2.552 178.370 175.900 -0.136 0.000 1.155 7 Y CA 2.405 60.469 58.100 -0.061 0.000 1.164 7 Y CB -0.440 38.033 38.460 0.022 0.000 0.978 7 Y HN 0.403 nan 8.280 nan 0.000 0.513 8 Q N 0.637 120.322 119.800 -0.191 0.000 2.084 8 Q HA -0.183 4.126 4.340 -0.052 0.000 0.202 8 Q C 1.898 177.643 176.000 -0.425 0.000 0.978 8 Q CA 2.153 57.800 55.803 -0.260 0.000 0.844 8 Q CB -0.448 28.219 28.738 -0.119 0.000 0.898 8 Q HN 0.474 nan 8.270 nan 0.000 0.426 9 N N -0.270 118.060 118.700 -0.617 0.000 2.188 9 N HA -0.133 4.575 4.740 -0.052 0.000 0.184 9 N C 1.574 176.412 175.510 -1.120 0.000 1.018 9 N CA 0.980 53.465 53.050 -0.942 0.000 0.858 9 N CB -0.299 37.297 38.487 -1.486 0.000 0.989 9 N HN 0.239 nan 8.380 nan 0.000 0.426 10 L N 1.154 121.735 121.223 -1.071 0.000 1.994 10 L HA -0.058 4.251 4.340 -0.052 0.000 0.208 10 L C 2.144 178.571 176.870 -0.740 0.000 1.071 10 L CA 1.215 55.593 54.840 -0.771 0.000 0.745 10 L CB -1.022 40.717 42.059 -0.534 0.000 0.892 10 L HN 0.051 nan 8.230 nan 0.000 0.431 11 L N -0.112 120.703 121.223 -0.681 0.000 1.990 11 L HA -0.259 4.050 4.340 -0.052 0.000 0.213 11 L C 2.442 179.173 176.870 -0.231 0.000 1.072 11 L CA 2.041 56.645 54.840 -0.393 0.000 0.755 11 L CB -0.801 41.048 42.059 -0.350 0.000 0.889 11 L HN 0.424 nan 8.230 nan 0.000 0.432 12 E N -1.435 118.632 120.200 -0.222 0.000 2.058 12 E HA -0.279 4.040 4.350 -0.052 0.000 0.194 12 E C 2.079 178.646 176.600 -0.056 0.000 0.997 12 E CA 1.679 58.018 56.400 -0.102 0.000 0.801 12 E CB -0.347 29.290 29.700 -0.105 0.000 0.746 12 E HN 0.521 nan 8.360 nan 0.000 0.450 13 F N 1.762 121.564 119.950 -0.245 0.000 2.102 13 F HA -0.216 4.280 4.527 -0.052 0.000 0.298 13 F C 2.351 178.069 175.800 -0.136 0.000 1.105 13 F CA 1.347 59.266 58.000 -0.134 0.000 1.239 13 F CB 0.069 39.038 39.000 -0.053 0.000 0.991 13 F HN -0.072 nan 8.300 nan 0.000 0.474 14 Q N 0.258 119.953 119.800 -0.176 0.000 2.119 14 Q HA -0.145 4.164 4.340 -0.052 0.000 0.201 14 Q C 2.381 178.294 176.000 -0.146 0.000 0.972 14 Q CA 1.352 56.996 55.803 -0.266 0.000 0.847 14 Q CB -0.496 27.877 28.738 -0.607 0.000 0.903 14 Q HN 0.484 nan 8.270 nan 0.000 0.433 15 R N 0.362 120.822 120.500 -0.067 0.000 2.090 15 R HA -0.117 4.192 4.340 -0.052 0.000 0.228 15 R C 2.122 178.486 176.300 0.106 0.000 1.110 15 R CA 0.968 57.077 56.100 0.016 0.000 0.973 15 R CB -0.014 30.365 30.300 0.132 0.000 0.869 15 R HN 0.180 nan 8.270 nan 0.000 0.440 16 E N 0.245 120.481 120.200 0.061 0.000 2.058 16 E HA -0.153 4.166 4.350 -0.052 0.000 0.194 16 E C 1.619 178.220 176.600 0.002 0.000 0.997 16 E CA 2.002 58.447 56.400 0.075 0.000 0.801 16 E CB -0.136 29.500 29.700 -0.108 0.000 0.746 16 E HN 0.118 nan 8.360 nan 0.000 0.450 17 T N 0.123 114.571 114.554 -0.176 0.000 2.788 17 T HA -0.144 4.175 4.350 -0.052 0.000 0.268 17 T C 1.778 176.449 174.700 -0.048 0.000 1.044 17 T CA 1.347 63.355 62.100 -0.154 0.000 1.139 17 T CB -0.472 68.266 68.868 -0.217 0.000 0.867 17 T HN 0.358 nan 8.240 nan 0.000 0.454 18 A N 0.320 123.095 122.820 -0.075 0.000 1.902 18 A HA -0.086 4.203 4.320 -0.052 0.000 0.217 18 A C 2.031 179.656 177.584 0.069 0.000 1.181 18 A CA 1.368 53.317 52.037 -0.147 0.000 0.623 18 A CB -1.058 17.662 19.000 -0.467 0.000 0.818 18 A HN 0.589 nan 8.150 nan 0.000 0.443 19 Y N 0.023 120.473 120.300 0.251 0.000 2.181 19 Y HA -0.170 4.349 4.550 -0.052 0.000 0.288 19 Y C 2.275 178.260 175.900 0.142 0.000 1.146 19 Y CA 1.544 59.809 58.100 0.274 0.000 1.164 19 Y CB -0.271 38.283 38.460 0.157 0.000 0.982 19 Y HN 0.191 nan 8.280 nan 0.000 0.515 20 L N -1.033 120.323 121.223 0.221 0.000 2.046 20 L HA -0.230 4.079 4.340 -0.052 0.000 0.208 20 L C 2.684 179.618 176.870 0.107 0.000 1.077 20 L CA 1.060 55.974 54.840 0.124 0.000 0.747 20 L CB -0.839 41.254 42.059 0.057 0.000 0.896 20 L HN 0.203 nan 8.230 nan 0.000 0.432 21 A N 0.136 123.011 122.820 0.093 0.000 1.972 21 A HA -0.197 4.092 4.320 -0.052 0.000 0.219 21 A C 2.490 180.143 177.584 0.115 0.000 1.169 21 A CA 1.773 53.858 52.037 0.080 0.000 0.635 21 A CB -0.631 18.396 19.000 0.045 0.000 0.810 21 A HN 0.527 nan 8.150 nan 0.000 0.446 22 S N -0.259 115.546 115.700 0.174 0.000 2.474 22 S HA -0.004 4.435 4.470 -0.052 0.000 0.235 22 S C 1.714 176.397 174.600 0.138 0.000 0.997 22 S CA 1.108 59.425 58.200 0.196 0.000 0.949 22 S CB -0.593 62.780 63.200 0.290 0.000 0.766 22 S HN 0.473 nan 8.310 nan 0.000 0.517 23 L N 1.020 122.318 121.223 0.124 0.000 2.156 23 L HA 0.094 4.402 4.340 -0.052 0.000 0.208 23 L C 2.913 179.839 176.870 0.093 0.000 1.095 23 L CA 1.015 55.913 54.840 0.097 0.000 0.770 23 L CB -1.002 41.107 42.059 0.083 0.000 0.914 23 L HN 0.532 nan 8.230 nan 0.000 0.439 24 G N -0.437 108.417 108.800 0.090 0.000 2.408 24 G HA2 -0.203 3.726 3.960 -0.052 0.000 0.217 24 G HA3 -0.203 3.726 3.960 -0.052 0.000 0.217 24 G C 1.784 176.744 174.900 0.099 0.000 1.150 24 G CA 0.723 45.871 45.100 0.079 0.000 0.776 24 G HN 0.439 nan 8.290 nan 0.000 0.542 25 A N 0.544 123.434 122.820 0.116 0.000 1.902 25 A HA 0.029 4.317 4.320 -0.052 0.000 0.217 25 A C 2.332 180.030 177.584 0.190 0.000 1.181 25 A CA 1.649 53.771 52.037 0.143 0.000 0.623 25 A CB -0.458 18.628 19.000 0.143 0.000 0.818 25 A HN 0.418 nan 8.150 nan 0.000 0.443 26 L N -0.340 120.980 121.223 0.161 0.000 2.083 26 L HA -0.054 4.255 4.340 -0.052 0.000 0.209 26 L C 2.631 179.667 176.870 0.278 0.000 1.083 26 L CA 2.048 57.008 54.840 0.200 0.000 0.752 26 L CB -0.676 41.451 42.059 0.113 0.000 0.899 26 L HN 0.346 nan 8.230 nan 0.000 0.433 27 A N -0.814 122.114 122.820 0.179 0.000 1.930 27 A HA -0.004 4.285 4.320 -0.052 0.000 0.217 27 A C 2.415 180.071 177.584 0.120 0.000 1.175 27 A CA 1.453 53.570 52.037 0.134 0.000 0.627 27 A CB -0.943 18.101 19.000 0.073 0.000 0.815 27 A HN 0.521 nan 8.150 nan 0.000 0.443 28 A N -1.474 121.423 122.820 0.128 0.000 1.929 28 A HA -0.081 4.208 4.320 -0.052 0.000 0.216 28 A C 1.958 179.609 177.584 0.111 0.000 1.176 28 A CA 1.401 53.480 52.037 0.069 0.000 0.628 28 A CB -0.817 18.211 19.000 0.047 0.000 0.816 28 A HN 0.862 nan 8.150 nan 0.000 0.444 29 W N 1.073 122.435 121.300 0.102 0.000 2.355 29 W HA -0.199 4.431 4.660 -0.050 0.000 0.309 29 W C 1.619 178.251 176.519 0.189 0.000 1.206 29 W CA 1.948 59.441 57.345 0.246 0.000 1.284 29 W CB -0.409 29.186 29.460 0.226 0.000 1.145 29 W HN 0.468 nan 8.180 nan 0.000 0.502 30 D N -0.375 120.129 120.400 0.173 0.000 2.123 30 D HA -0.328 4.281 4.640 -0.052 0.000 0.196 30 D C 2.220 178.401 176.300 -0.198 0.000 0.992 30 D CA 1.954 55.878 54.000 -0.127 0.000 0.833 30 D CB -0.472 40.431 40.800 0.171 0.000 0.954 30 D HN 0.348 nan 8.370 nan 0.000 0.455 31 Q N -0.298 119.443 119.800 -0.099 0.000 2.181 31 Q HA -0.162 4.147 4.340 -0.052 0.000 0.205 31 Q C 1.531 177.470 176.000 -0.101 0.000 0.980 31 Q CA 1.122 56.858 55.803 -0.112 0.000 0.862 31 Q CB 0.115 28.820 28.738 -0.055 0.000 0.905 31 Q HN 0.295 nan 8.270 nan 0.000 0.429 32 R N -0.944 119.468 120.500 -0.146 0.000 2.334 32 R HA 0.067 4.376 4.340 -0.052 0.000 0.216 32 R C 1.482 177.715 176.300 -0.112 0.000 0.905 32 R CA 0.967 57.009 56.100 -0.096 0.000 1.064 32 R CB 0.622 30.820 30.300 -0.170 0.000 1.046 32 R HN 0.349 nan 8.270 nan 0.000 0.508 33 T N -3.542 110.832 114.554 -0.300 0.000 3.280 33 T HA 0.156 4.474 4.350 -0.052 0.000 0.256 33 T C 1.537 176.067 174.700 -0.284 0.000 0.995 33 T CA -0.259 61.620 62.100 -0.368 0.000 1.144 33 T CB 0.266 68.660 68.868 -0.788 0.000 1.140 33 T HN -0.144 nan 8.240 nan 0.000 0.423 34 M N 0.793 120.190 119.600 -0.339 0.000 2.421 34 M HA 0.510 4.959 4.480 -0.052 0.000 0.258 34 M C 0.882 177.122 176.300 -0.101 0.000 1.122 34 M CA -0.377 54.825 55.300 -0.164 0.000 1.078 34 M CB -0.287 32.252 32.600 -0.103 0.000 1.380 34 M HN 0.316 nan 8.290 nan 0.000 0.499 35 I N 4.776 125.265 120.570 -0.135 0.000 2.845 35 I HA -0.014 4.125 4.170 -0.052 0.000 0.296 35 I C -1.509 174.543 176.117 -0.108 0.000 1.216 35 I CA -0.880 60.336 61.300 -0.140 0.000 1.438 35 I CB 0.777 38.617 38.000 -0.268 0.000 1.342 35 I HN 0.046 nan 8.210 nan 0.000 0.577 36 P HA 0.039 nan 4.420 nan 0.000 0.274 36 P C -0.059 177.245 177.300 0.006 0.000 1.246 36 P CA -0.481 62.605 63.100 -0.022 0.000 0.795 36 P CB 0.709 32.404 31.700 -0.009 0.000 1.006 37 K N 1.457 121.901 120.400 0.073 0.000 2.074 37 K HA -0.180 4.109 4.320 -0.052 0.000 0.209 37 K C 1.358 178.082 176.600 0.207 0.000 1.048 37 K CA 1.637 58.020 56.287 0.159 0.000 0.926 37 K CB -0.108 32.443 32.500 0.085 0.000 0.713 37 K HN 0.329 nan 8.250 nan 0.000 0.444 38 K N -0.696 119.769 120.400 0.109 0.000 2.444 38 K HA 0.036 4.324 4.320 -0.052 0.000 0.193 38 K C 1.460 178.115 176.600 0.092 0.000 1.024 38 K CA 0.449 56.797 56.287 0.102 0.000 1.077 38 K CB 0.550 33.083 32.500 0.055 0.000 0.833 38 K HN 0.293 nan 8.250 nan 0.000 0.517 39 G N -0.328 108.498 108.800 0.043 0.000 3.042 39 G HA2 -0.100 3.828 3.960 -0.052 0.000 0.212 39 G HA3 -0.100 3.828 3.960 -0.052 0.000 0.212 39 G C 0.641 175.537 174.900 -0.007 0.000 1.166 39 G CA -0.019 45.086 45.100 0.008 0.000 0.767 39 G HN 0.276 nan 8.290 nan 0.000 0.546 40 H N 0.695 119.797 119.070 0.053 0.000 2.321 40 H HA -0.027 4.499 4.556 -0.049 0.000 0.300 40 H C 2.425 177.783 175.328 0.050 0.000 1.087 40 H CA 1.747 57.820 56.048 0.042 0.000 1.319 40 H CB 0.175 29.953 29.762 0.027 0.000 1.379 40 H HN 0.401 nan 8.280 nan 0.000 0.501 41 E N -0.542 119.768 120.200 0.183 0.000 2.118 41 E HA -0.254 4.065 4.350 -0.052 0.000 0.195 41 E C 1.929 178.601 176.600 0.119 0.000 0.992 41 E CA 1.322 57.800 56.400 0.130 0.000 0.804 41 E CB -0.090 29.679 29.700 0.115 0.000 0.741 41 E HN 0.573 nan 8.360 nan 0.000 0.458 42 H N 0.844 119.938 119.070 0.041 0.000 2.357 42 H HA -0.051 4.473 4.556 -0.052 0.000 0.301 42 H C 2.087 177.428 175.328 0.022 0.000 1.082 42 H CA 1.774 57.837 56.048 0.026 0.000 1.342 42 H CB 0.129 29.900 29.762 0.014 0.000 1.389 42 H HN -0.131 nan 8.280 nan 0.000 0.511 43 R N 0.790 121.245 120.500 -0.076 0.000 2.091 43 R HA -0.024 4.284 4.340 -0.052 0.000 0.238 43 R C 2.375 178.619 176.300 -0.093 0.000 1.136 43 R CA 1.632 57.660 56.100 -0.120 0.000 0.959 43 R CB -1.115 29.150 30.300 -0.058 0.000 0.856 43 R HN 0.423 nan 8.270 nan 0.000 0.437 44 A N 0.576 123.381 122.820 -0.025 0.000 1.908 44 A HA -0.162 4.126 4.320 -0.052 0.000 0.218 44 A C 2.177 179.741 177.584 -0.034 0.000 1.181 44 A CA 1.695 53.730 52.037 -0.004 0.000 0.627 44 A CB -0.462 18.561 19.000 0.038 0.000 0.818 44 A HN 0.393 nan 8.150 nan 0.000 0.445 45 R N -0.716 119.747 120.500 -0.061 0.000 2.115 45 R HA -0.111 4.198 4.340 -0.052 0.000 0.230 45 R C 2.404 178.637 176.300 -0.111 0.000 1.111 45 R CA 1.418 57.480 56.100 -0.064 0.000 0.976 45 R CB -0.286 29.993 30.300 -0.036 0.000 0.870 45 R HN 0.690 nan 8.270 nan 0.000 0.445 46 Q N -0.208 119.463 119.800 -0.215 0.000 2.079 46 Q HA -0.095 4.214 4.340 -0.052 0.000 0.200 46 Q C 2.126 178.082 176.000 -0.074 0.000 0.974 46 Q CA 1.159 56.853 55.803 -0.182 0.000 0.840 46 Q CB 0.028 28.619 28.738 -0.246 0.000 0.898 46 Q HN 0.216 nan 8.270 nan 0.000 0.430 47 M N 0.035 119.602 119.600 -0.056 0.000 2.117 47 M HA -0.125 4.324 4.480 -0.052 0.000 0.262 47 M C 2.284 178.582 176.300 -0.003 0.000 1.065 47 M CA 1.515 56.806 55.300 -0.015 0.000 1.114 47 M CB -1.242 31.355 32.600 -0.005 0.000 1.361 47 M HN 0.232 nan 8.290 nan 0.000 0.408 48 A N 0.008 122.823 122.820 -0.009 0.000 1.930 48 A HA 0.066 4.355 4.320 -0.052 0.000 0.217 48 A C 2.443 180.029 177.584 0.002 0.000 1.175 48 A CA 1.902 53.940 52.037 0.000 0.000 0.627 48 A CB -0.814 18.186 19.000 -0.001 0.000 0.815 48 A HN 0.473 nan 8.150 nan 0.000 0.443 49 A N -0.388 122.428 122.820 -0.005 0.000 1.873 49 A HA -0.016 4.272 4.320 -0.052 0.000 0.215 49 A C 2.108 179.702 177.584 0.017 0.000 1.186 49 A CA 1.695 53.735 52.037 0.005 0.000 0.616 49 A CB -0.616 18.383 19.000 -0.002 0.000 0.823 49 A HN 0.668 nan 8.150 nan 0.000 0.442 50 L N -0.123 121.109 121.223 0.015 0.000 2.046 50 L HA -0.052 4.256 4.340 -0.052 0.000 0.208 50 L C 2.642 179.536 176.870 0.040 0.000 1.077 50 L CA 2.170 57.027 54.840 0.029 0.000 0.747 50 L CB -0.902 41.174 42.059 0.028 0.000 0.896 50 L HN 0.347 nan 8.230 nan 0.000 0.432 51 A N -0.387 122.456 122.820 0.038 0.000 1.908 51 A HA -0.226 4.062 4.320 -0.052 0.000 0.218 51 A C 2.417 180.044 177.584 0.071 0.000 1.181 51 A CA 1.796 53.865 52.037 0.053 0.000 0.627 51 A CB -0.544 18.479 19.000 0.038 0.000 0.818 51 A HN 0.510 nan 8.150 nan 0.000 0.445 52 R N -1.198 119.330 120.500 0.047 0.000 2.083 52 R HA -0.138 4.171 4.340 -0.052 0.000 0.237 52 R C 2.207 178.562 176.300 0.092 0.000 1.137 52 R CA 1.558 57.688 56.100 0.050 0.000 0.951 52 R CB -0.694 29.620 30.300 0.023 0.000 0.851 52 R HN 0.527 nan 8.270 nan 0.000 0.434 53 L N 1.273 122.538 121.223 0.070 0.000 1.994 53 L HA -0.161 4.148 4.340 -0.052 0.000 0.208 53 L C 2.111 179.029 176.870 0.079 0.000 1.071 53 L CA 1.650 56.532 54.840 0.069 0.000 0.745 53 L CB -0.363 41.725 42.059 0.048 0.000 0.892 53 L HN 0.128 nan 8.230 nan 0.000 0.431 54 L N -0.961 120.307 121.223 0.074 0.000 2.046 54 L HA -0.262 4.047 4.340 -0.052 0.000 0.208 54 L C 2.747 179.671 176.870 0.090 0.000 1.077 54 L CA 1.579 56.457 54.840 0.063 0.000 0.747 54 L CB -1.196 40.897 42.059 0.056 0.000 0.896 54 L HN 0.531 nan 8.230 nan 0.000 0.432 55 H N 0.472 119.563 119.070 0.036 0.000 2.352 55 H HA -0.249 4.276 4.556 -0.051 0.000 0.299 55 H C 2.252 177.614 175.328 0.055 0.000 1.097 55 H CA 2.317 58.389 56.048 0.040 0.000 1.311 55 H CB 0.200 29.978 29.762 0.027 0.000 1.377 55 H HN 0.295 nan 8.280 nan 0.000 0.504 56 Q N 1.130 121.025 119.800 0.159 0.000 2.061 56 Q HA -0.124 4.185 4.340 -0.052 0.000 0.204 56 Q C 2.581 178.635 176.000 0.091 0.000 0.984 56 Q CA 1.739 57.613 55.803 0.117 0.000 0.846 56 Q CB -0.223 28.594 28.738 0.132 0.000 0.902 56 Q HN 0.437 nan 8.270 nan 0.000 0.421 57 R N -0.765 119.801 120.500 0.110 0.000 2.075 57 R HA -0.031 4.278 4.340 -0.052 0.000 0.232 57 R C 2.380 178.808 176.300 0.212 0.000 1.126 57 R CA 1.732 57.946 56.100 0.190 0.000 0.963 57 R CB -0.289 30.014 30.300 0.005 0.000 0.858 57 R HN 0.379 nan 8.270 nan 0.000 0.435 58 M N 0.028 119.674 119.600 0.077 0.000 2.460 58 M HA -0.068 4.380 4.480 -0.052 0.000 0.263 58 M C 1.477 177.828 176.300 0.085 0.000 1.071 58 M CA 1.449 56.794 55.300 0.075 0.000 1.096 58 M CB 0.102 32.705 32.600 0.005 0.000 1.408 58 M HN 0.182 nan 8.290 nan 0.000 0.463 59 T N -4.006 110.534 114.554 -0.023 0.000 3.085 59 T HA 0.100 4.419 4.350 -0.052 0.000 0.264 59 T C 0.350 175.107 174.700 0.095 0.000 1.019 59 T CA -0.546 61.536 62.100 -0.030 0.000 0.910 59 T CB -0.157 68.557 68.868 -0.257 0.000 1.059 59 T HN 0.132 nan 8.240 nan 0.000 0.542 60 D N 3.933 124.394 120.400 0.103 0.000 2.520 60 D HA 0.018 4.627 4.640 -0.052 0.000 0.243 60 D C -1.003 175.260 176.300 -0.062 0.000 1.160 60 D CA -1.251 52.746 54.000 -0.005 0.000 0.877 60 D CB 1.621 42.388 40.800 -0.055 0.000 1.150 60 D HN 0.123 nan 8.370 nan 0.000 0.494 61 P HA -0.132 nan 4.420 nan 0.000 0.223 61 P C 1.043 178.121 177.300 -0.370 0.000 1.144 61 P CA 0.742 63.774 63.100 -0.113 0.000 0.783 61 P CB 0.329 31.969 31.700 -0.100 0.000 0.771 62 R N -0.289 119.842 120.500 -0.615 0.000 2.120 62 R HA -0.011 4.298 4.340 -0.052 0.000 0.234 62 R C 2.561 178.130 176.300 -1.217 0.000 1.123 62 R CA 0.993 56.399 56.100 -1.158 0.000 0.975 62 R CB -0.850 28.476 30.300 -1.625 0.000 0.866 62 R HN 0.242 nan 8.270 nan 0.000 0.446 63 I N -0.312 119.781 120.570 -0.795 0.000 2.208 63 I HA -0.214 3.925 4.170 -0.052 0.000 0.245 63 I C 2.421 178.116 176.117 -0.703 0.000 1.097 63 I CA 1.568 62.515 61.300 -0.587 0.000 1.363 63 I CB -0.647 36.988 38.000 -0.608 0.000 1.051 63 I HN 0.339 nan 8.210 nan 0.000 0.413 64 G N 0.406 108.704 108.800 -0.838 0.000 2.402 64 G HA2 -0.195 3.733 3.960 -0.052 0.000 0.216 64 G HA3 -0.195 3.733 3.960 -0.052 0.000 0.216 64 G C 1.500 176.251 174.900 -0.248 0.000 1.162 64 G CA 0.461 45.269 45.100 -0.487 0.000 0.777 64 G HN 0.406 nan 8.290 nan 0.000 0.539 65 E N -0.331 119.678 120.200 -0.319 0.000 2.058 65 E HA -0.145 4.174 4.350 -0.052 0.000 0.194 65 E C 2.332 178.864 176.600 -0.114 0.000 0.997 65 E CA 1.085 57.333 56.400 -0.254 0.000 0.801 65 E CB -0.140 29.316 29.700 -0.407 0.000 0.746 65 E HN 0.540 nan 8.360 nan 0.000 0.450 66 W N 0.890 122.093 121.300 -0.161 0.000 2.379 66 W HA -0.057 4.571 4.660 -0.052 0.000 0.307 66 W C 2.137 178.614 176.519 -0.070 0.000 1.200 66 W CA 0.513 57.785 57.345 -0.121 0.000 1.297 66 W CB -1.079 28.276 29.460 -0.174 0.000 1.140 66 W HN 0.121 nan 8.180 nan 0.000 0.507 67 L N 0.163 121.464 121.223 0.130 0.000 2.081 67 L HA -0.246 4.063 4.340 -0.052 0.000 0.212 67 L C 2.427 179.350 176.870 0.089 0.000 1.080 67 L CA 1.847 56.749 54.840 0.104 0.000 0.754 67 L CB -0.779 41.293 42.059 0.022 0.000 0.893 67 L HN 0.035 nan 8.230 nan 0.000 0.433 68 E N -0.120 120.110 120.200 0.051 0.000 2.150 68 E HA -0.207 4.112 4.350 -0.052 0.000 0.193 68 E C 2.027 178.661 176.600 0.057 0.000 0.985 68 E CA 0.778 57.205 56.400 0.045 0.000 0.814 68 E CB 0.276 29.988 29.700 0.020 0.000 0.752 68 E HN 0.267 nan 8.360 nan 0.000 0.466 69 K N 0.050 120.498 120.400 0.081 0.000 2.103 69 K HA -0.043 4.245 4.320 -0.052 0.000 0.204 69 K C 2.078 178.728 176.600 0.083 0.000 1.052 69 K CA 0.735 57.072 56.287 0.084 0.000 0.945 69 K CB -0.033 32.538 32.500 0.118 0.000 0.722 69 K HN 0.123 nan 8.250 nan 0.000 0.443 70 V N 1.363 121.342 119.914 0.109 0.000 2.535 70 V HA -0.076 4.013 4.120 -0.052 0.000 0.246 70 V C 0.632 176.765 176.094 0.064 0.000 1.045 70 V CA 0.626 62.987 62.300 0.101 0.000 1.058 70 V CB -0.355 31.577 31.823 0.182 0.000 0.689 70 V HN 0.289 nan 8.190 nan 0.000 0.461 71 E N 0.580 120.822 120.200 0.070 0.000 2.415 71 E HA 0.326 4.645 4.350 -0.052 0.000 0.263 71 E C 1.269 177.886 176.600 0.027 0.000 0.995 71 E CA 0.757 57.185 56.400 0.047 0.000 0.915 71 E CB 0.318 30.050 29.700 0.054 0.000 0.951 71 E HN 0.440 nan 8.360 nan 0.000 0.449 72 G N 2.647 111.455 108.800 0.012 0.000 2.179 72 G HA2 -0.345 3.584 3.960 -0.052 0.000 0.260 72 G HA3 -0.345 3.584 3.960 -0.052 0.000 0.260 72 G C 0.433 175.334 174.900 0.000 0.000 0.977 72 G CA 0.502 45.605 45.100 0.005 0.000 0.641 72 G HN 0.666 nan 8.290 nan 0.000 0.533 73 S N -0.170 115.529 115.700 -0.001 0.000 2.686 73 S HA 0.678 5.116 4.470 -0.052 0.000 0.270 73 S C -0.943 173.643 174.600 -0.024 0.000 1.194 73 S CA -0.539 57.656 58.200 -0.007 0.000 0.990 73 S CB 1.962 65.162 63.200 -0.000 0.000 1.029 73 S HN -0.042 nan 8.310 nan 0.000 0.560 74 P HA 0.088 nan 4.420 nan 0.000 0.223 74 P C 1.294 178.557 177.300 -0.062 0.000 1.151 74 P CA 0.659 63.738 63.100 -0.036 0.000 0.787 74 P CB -0.075 31.608 31.700 -0.028 0.000 0.788 75 L N -0.841 120.332 121.223 -0.083 0.000 2.131 75 L HA -0.094 4.215 4.340 -0.052 0.000 0.210 75 L C 1.679 178.451 176.870 -0.165 0.000 1.092 75 L CA 1.290 56.041 54.840 -0.149 0.000 0.759 75 L CB -0.545 41.385 42.059 -0.216 0.000 0.903 75 L HN -0.003 nan 8.230 nan 0.000 0.435 76 V N -5.248 114.596 119.914 -0.116 0.000 3.214 76 V HA 0.129 4.218 4.120 -0.052 0.000 0.330 76 V C 1.599 177.650 176.094 -0.071 0.000 1.403 76 V CA -0.205 62.033 62.300 -0.104 0.000 1.143 76 V CB 0.204 31.979 31.823 -0.080 0.000 1.098 76 V HN 0.326 nan 8.190 nan 0.000 0.463 77 Q N 1.152 120.915 119.800 -0.061 0.000 2.096 77 Q HA -0.127 4.182 4.340 -0.052 0.000 0.204 77 Q C 0.812 176.786 176.000 -0.044 0.000 0.982 77 Q CA 1.807 57.584 55.803 -0.043 0.000 0.850 77 Q CB -0.052 28.665 28.738 -0.036 0.000 0.901 77 Q HN 0.732 nan 8.270 nan 0.000 0.422 78 D N 0.856 121.222 120.400 -0.056 0.000 2.339 78 D HA 0.031 4.639 4.640 -0.052 0.000 0.241 78 D C -1.651 174.608 176.300 -0.069 0.000 1.183 78 D CA -2.335 51.633 54.000 -0.053 0.000 0.859 78 D CB 1.200 41.967 40.800 -0.056 0.000 1.067 78 D HN -0.052 nan 8.370 nan 0.000 0.484 79 P HA -0.109 nan 4.420 nan 0.000 0.222 79 P C 1.183 178.422 177.300 -0.103 0.000 1.147 79 P CA 0.710 63.771 63.100 -0.066 0.000 0.790 79 P CB 0.387 32.067 31.700 -0.033 0.000 0.780 80 L N -0.398 120.766 121.223 -0.099 0.000 2.607 80 L HA 0.103 4.412 4.340 -0.052 0.000 0.228 80 L C 1.366 178.130 176.870 -0.176 0.000 1.123 80 L CA -0.145 54.601 54.840 -0.156 0.000 0.890 80 L CB -0.388 41.620 42.059 -0.084 0.000 1.103 80 L HN -0.022 nan 8.230 nan 0.000 0.468 81 S N -1.430 114.181 115.700 -0.148 0.000 2.593 81 S HA 0.036 4.475 4.470 -0.052 0.000 0.269 81 S C 0.767 175.249 174.600 -0.198 0.000 1.334 81 S CA -0.697 57.412 58.200 -0.153 0.000 1.015 81 S CB 1.184 64.302 63.200 -0.137 0.000 0.912 81 S HN 0.084 nan 8.310 nan 0.000 0.541 82 D N 1.861 122.146 120.400 -0.191 0.000 2.104 82 D HA -0.110 4.498 4.640 -0.052 0.000 0.194 82 D C 2.259 178.441 176.300 -0.196 0.000 0.994 82 D CA 1.959 55.825 54.000 -0.223 0.000 0.830 82 D CB -0.964 39.741 40.800 -0.159 0.000 0.959 82 D HN 0.724 nan 8.370 nan 0.000 0.452 83 A N 1.180 123.869 122.820 -0.218 0.000 1.865 83 A HA -0.108 4.181 4.320 -0.052 0.000 0.217 83 A C 2.361 179.800 177.584 -0.242 0.000 1.191 83 A CA 2.715 54.532 52.037 -0.367 0.000 0.623 83 A CB -0.925 17.653 19.000 -0.704 0.000 0.826 83 A HN 0.255 nan 8.150 nan 0.000 0.444 84 A N -0.708 121.984 122.820 -0.212 0.000 1.877 84 A HA -0.020 4.269 4.320 -0.052 0.000 0.216 84 A C 2.260 179.742 177.584 -0.170 0.000 1.186 84 A CA 1.866 53.810 52.037 -0.155 0.000 0.620 84 A CB -1.078 17.843 19.000 -0.133 0.000 0.822 84 A HN 0.420 nan 8.150 nan 0.000 0.443 85 V N 1.084 120.865 119.914 -0.222 0.000 2.255 85 V HA -0.307 3.782 4.120 -0.052 0.000 0.247 85 V C 2.352 178.244 176.094 -0.337 0.000 1.051 85 V CA 2.328 64.471 62.300 -0.263 0.000 1.018 85 V CB -0.960 30.679 31.823 -0.308 0.000 0.641 85 V HN 0.581 nan 8.190 nan 0.000 0.445 86 N N -0.065 118.367 118.700 -0.447 0.000 2.142 86 N HA -0.108 4.601 4.740 -0.052 0.000 0.186 86 N C 1.733 176.768 175.510 -0.792 0.000 1.023 86 N CA 1.340 53.847 53.050 -0.905 0.000 0.852 86 N CB -0.509 37.292 38.487 -1.143 0.000 0.998 86 N HN 0.365 nan 8.380 nan 0.000 0.424 87 V N 1.523 121.316 119.914 -0.202 0.000 2.358 87 V HA -0.157 3.931 4.120 -0.052 0.000 0.246 87 V C 2.576 178.722 176.094 0.088 0.000 1.047 87 V CA 1.350 63.745 62.300 0.159 0.000 1.035 87 V CB -0.434 31.495 31.823 0.176 0.000 0.658 87 V HN 0.292 nan 8.190 nan 0.000 0.452 88 R N 0.101 120.585 120.500 -0.027 0.000 2.080 88 R HA -0.189 4.120 4.340 -0.052 0.000 0.236 88 R C 2.318 178.618 176.300 -0.000 0.000 1.137 88 R CA 1.885 57.977 56.100 -0.013 0.000 0.943 88 R CB -0.211 30.055 30.300 -0.057 0.000 0.846 88 R HN 0.488 nan 8.270 nan 0.000 0.431 89 E N -0.383 119.763 120.200 -0.090 0.000 2.150 89 E HA -0.199 4.120 4.350 -0.052 0.000 0.193 89 E C 1.866 178.512 176.600 0.077 0.000 0.985 89 E CA 0.797 57.156 56.400 -0.069 0.000 0.814 89 E CB -0.199 29.383 29.700 -0.197 0.000 0.752 89 E HN 0.504 nan 8.360 nan 0.000 0.466 90 W N 1.299 122.624 121.300 0.042 0.000 2.388 90 W HA -0.090 4.538 4.660 -0.053 0.000 0.294 90 W C 2.460 179.041 176.519 0.103 0.000 1.212 90 W CA 0.674 58.057 57.345 0.062 0.000 1.271 90 W CB -0.795 28.697 29.460 0.053 0.000 1.126 90 W HN 0.121 nan 8.180 nan 0.000 0.535 91 R N 1.170 121.862 120.500 0.321 0.000 2.081 91 R HA -0.178 4.131 4.340 -0.052 0.000 0.235 91 R C 2.105 178.545 176.300 0.233 0.000 1.131 91 R CA 2.109 58.365 56.100 0.261 0.000 0.960 91 R CB -1.155 29.253 30.300 0.181 0.000 0.856 91 R HN 0.216 nan 8.270 nan 0.000 0.436 92 Q N -0.592 119.307 119.800 0.166 0.000 2.050 92 Q HA -0.117 4.192 4.340 -0.052 0.000 0.202 92 Q C 1.894 177.970 176.000 0.128 0.000 0.980 92 Q CA 1.892 57.766 55.803 0.118 0.000 0.840 92 Q CB -0.243 28.541 28.738 0.078 0.000 0.898 92 Q HN 0.472 nan 8.270 nan 0.000 0.424 93 A N -0.106 122.811 122.820 0.162 0.000 1.933 93 A HA -0.219 4.070 4.320 -0.052 0.000 0.218 93 A C 1.876 179.559 177.584 0.165 0.000 1.175 93 A CA 1.434 53.562 52.037 0.151 0.000 0.628 93 A CB -0.985 18.128 19.000 0.187 0.000 0.814 93 A HN 0.655 nan 8.150 nan 0.000 0.444 94 Y N 0.926 121.275 120.300 0.083 0.000 2.145 94 Y HA -0.174 4.345 4.550 -0.051 0.000 0.286 94 Y C 2.261 178.176 175.900 0.024 0.000 1.145 94 Y CA 2.072 60.200 58.100 0.046 0.000 1.148 94 Y CB -0.140 38.355 38.460 0.058 0.000 0.981 94 Y HN 0.327 nan 8.280 nan 0.000 0.507 95 E N 0.137 120.333 120.200 -0.007 0.000 2.153 95 E HA -0.164 4.155 4.350 -0.052 0.000 0.194 95 E C 2.261 178.806 176.600 -0.092 0.000 0.988 95 E CA 0.849 57.187 56.400 -0.103 0.000 0.811 95 E CB -0.176 29.531 29.700 0.012 0.000 0.746 95 E HN 0.461 nan 8.360 nan 0.000 0.466 96 R N 0.582 121.064 120.500 -0.030 0.000 2.061 96 R HA 0.016 4.325 4.340 -0.052 0.000 0.230 96 R C 2.329 178.601 176.300 -0.047 0.000 1.140 96 R CA 1.196 57.284 56.100 -0.019 0.000 0.940 96 R CB -0.989 29.316 30.300 0.009 0.000 0.839 96 R HN 0.164 nan 8.270 nan 0.000 0.429 97 A N 1.579 124.365 122.820 -0.057 0.000 1.917 97 A HA -0.219 4.070 4.320 -0.052 0.000 0.219 97 A C 2.288 179.794 177.584 -0.129 0.000 1.182 97 A CA 1.752 53.741 52.037 -0.079 0.000 0.633 97 A CB -0.478 18.468 19.000 -0.090 0.000 0.819 97 A HN 0.281 nan 8.150 nan 0.000 0.448 98 R N -0.873 119.488 120.500 -0.231 0.000 2.115 98 R HA 0.020 4.328 4.340 -0.052 0.000 0.230 98 R C 2.458 178.689 176.300 -0.115 0.000 1.111 98 R CA 0.986 56.947 56.100 -0.231 0.000 0.976 98 R CB -0.382 29.675 30.300 -0.404 0.000 0.870 98 R HN 0.533 nan 8.270 nan 0.000 0.445 99 A N 1.413 124.178 122.820 -0.093 0.000 1.898 99 A HA -0.040 4.249 4.320 -0.052 0.000 0.216 99 A C 1.174 178.748 177.584 -0.017 0.000 1.181 99 A CA 0.701 52.710 52.037 -0.047 0.000 0.620 99 A CB -0.229 18.750 19.000 -0.034 0.000 0.819 99 A HN 0.125 nan 8.150 nan 0.000 0.442 100 I N 1.550 122.118 120.570 -0.003 0.000 2.436 100 I HA 0.141 4.280 4.170 -0.052 0.000 0.289 100 I C -2.328 173.817 176.117 0.047 0.000 1.083 100 I CA -1.835 59.477 61.300 0.019 0.000 1.372 100 I CB 0.813 38.830 38.000 0.029 0.000 1.408 100 I HN 0.065 nan 8.210 nan 0.000 0.516 101 P HA -0.048 nan 4.420 nan 0.000 0.266 101 P C 0.751 178.053 177.300 0.004 0.000 1.195 101 P CA -0.086 63.026 63.100 0.020 0.000 0.768 101 P CB 0.650 32.348 31.700 -0.004 0.000 0.838 102 E N 3.347 123.527 120.200 -0.034 0.000 2.118 102 E HA -0.231 4.088 4.350 -0.052 0.000 0.195 102 E C 1.553 178.058 176.600 -0.158 0.000 0.992 102 E CA 1.453 57.710 56.400 -0.238 0.000 0.804 102 E CB 0.093 29.573 29.700 -0.367 0.000 0.741 102 E HN 0.256 nan 8.360 nan 0.000 0.458 103 R N 0.272 120.719 120.500 -0.089 0.000 2.092 103 R HA -0.115 4.193 4.340 -0.052 0.000 0.231 103 R C 2.457 178.729 176.300 -0.047 0.000 1.119 103 R CA 0.546 56.608 56.100 -0.063 0.000 0.970 103 R CB -1.204 29.069 30.300 -0.045 0.000 0.864 103 R HN 0.219 nan 8.270 nan 0.000 0.440 104 L N 1.028 122.229 121.223 -0.036 0.000 2.027 104 L HA 0.023 4.332 4.340 -0.052 0.000 0.206 104 L C 2.237 179.098 176.870 -0.016 0.000 1.074 104 L CA 1.936 56.762 54.840 -0.023 0.000 0.745 104 L CB -0.849 41.200 42.059 -0.016 0.000 0.898 104 L HN 0.159 nan 8.230 nan 0.000 0.433 105 A N -1.054 121.756 122.820 -0.017 0.000 1.908 105 A HA -0.155 4.134 4.320 -0.052 0.000 0.218 105 A C 2.251 179.829 177.584 -0.011 0.000 1.181 105 A CA 2.140 54.176 52.037 -0.002 0.000 0.627 105 A CB -1.118 17.888 19.000 0.010 0.000 0.818 105 A HN 0.320 nan 8.150 nan 0.000 0.445 106 V N 0.049 119.939 119.914 -0.039 0.000 2.270 106 V HA -0.262 3.827 4.120 -0.052 0.000 0.245 106 V C 2.420 178.508 176.094 -0.011 0.000 1.043 106 V CA 2.255 64.536 62.300 -0.031 0.000 1.014 106 V CB -0.951 30.840 31.823 -0.053 0.000 0.645 106 V HN 0.644 nan 8.190 nan 0.000 0.447 107 E N -0.106 120.085 120.200 -0.016 0.000 2.085 107 E HA -0.284 4.035 4.350 -0.052 0.000 0.194 107 E C 2.146 178.751 176.600 0.008 0.000 0.994 107 E CA 1.557 57.952 56.400 -0.008 0.000 0.801 107 E CB -0.306 29.383 29.700 -0.018 0.000 0.743 107 E HN 0.381 nan 8.360 nan 0.000 0.453 108 L N 1.038 122.269 121.223 0.012 0.000 2.046 108 L HA -0.143 4.166 4.340 -0.052 0.000 0.208 108 L C 2.229 179.128 176.870 0.050 0.000 1.077 108 L CA 2.057 56.917 54.840 0.034 0.000 0.747 108 L CB -0.686 41.395 42.059 0.037 0.000 0.896 108 L HN 0.047 nan 8.230 nan 0.000 0.432 109 A N -1.191 121.652 122.820 0.039 0.000 1.933 109 A HA -0.276 4.013 4.320 -0.052 0.000 0.218 109 A C 2.324 179.937 177.584 0.048 0.000 1.175 109 A CA 1.799 53.862 52.037 0.043 0.000 0.628 109 A CB -0.658 18.360 19.000 0.031 0.000 0.814 109 A HN 0.676 nan 8.150 nan 0.000 0.444 110 Q N -0.648 119.177 119.800 0.041 0.000 2.123 110 Q HA -0.022 4.287 4.340 -0.052 0.000 0.199 110 Q C 2.124 178.167 176.000 0.072 0.000 0.966 110 Q CA 1.223 57.055 55.803 0.049 0.000 0.845 110 Q CB -0.306 28.451 28.738 0.032 0.000 0.907 110 Q HN 0.569 nan 8.270 nan 0.000 0.439 111 A N 0.922 123.782 122.820 0.066 0.000 1.933 111 A HA -0.207 4.081 4.320 -0.052 0.000 0.218 111 A C 1.721 179.387 177.584 0.136 0.000 1.175 111 A CA 1.603 53.693 52.037 0.088 0.000 0.628 111 A CB -0.374 18.662 19.000 0.059 0.000 0.814 111 A HN 0.549 nan 8.150 nan 0.000 0.444 112 E N -0.834 119.437 120.200 0.119 0.000 2.076 112 E HA -0.097 4.222 4.350 -0.052 0.000 0.190 112 E C 2.258 178.930 176.600 0.120 0.000 0.979 112 E CA 0.970 57.446 56.400 0.126 0.000 0.807 112 E CB -0.229 29.529 29.700 0.097 0.000 0.761 112 E HN 0.533 nan 8.360 nan 0.000 0.454 113 S N 0.753 116.512 115.700 0.099 0.000 2.359 113 S HA -0.234 4.204 4.470 -0.052 0.000 0.224 113 S C 1.849 176.525 174.600 0.128 0.000 1.035 113 S CA 1.503 59.759 58.200 0.093 0.000 1.018 113 S CB -0.140 63.106 63.200 0.076 0.000 0.876 113 S HN 0.233 nan 8.310 nan 0.000 0.448 114 E N 0.713 121.011 120.200 0.163 0.000 2.072 114 E HA -0.041 4.278 4.350 -0.052 0.000 0.191 114 E C 2.463 179.210 176.600 0.244 0.000 0.985 114 E CA 0.936 57.469 56.400 0.222 0.000 0.801 114 E CB -0.338 29.536 29.700 0.290 0.000 0.750 114 E HN 0.604 nan 8.360 nan 0.000 0.452 115 A N 1.726 124.731 122.820 0.308 0.000 1.908 115 A HA -0.259 4.030 4.320 -0.052 0.000 0.218 115 A C 1.968 179.773 177.584 0.369 0.000 1.181 115 A CA 1.600 53.864 52.037 0.378 0.000 0.627 115 A CB -0.433 18.795 19.000 0.379 0.000 0.818 115 A HN 0.172 nan 8.150 nan 0.000 0.445 116 E N -0.681 119.665 120.200 0.243 0.000 2.047 116 E HA -0.138 4.180 4.350 -0.052 0.000 0.191 116 E C 2.344 179.092 176.600 0.246 0.000 0.987 116 E CA 1.154 57.681 56.400 0.213 0.000 0.799 116 E CB -0.214 29.545 29.700 0.097 0.000 0.752 116 E HN 0.607 nan 8.360 nan 0.000 0.449 117 S N 0.459 116.253 115.700 0.157 0.000 2.353 117 S HA -0.217 4.222 4.470 -0.052 0.000 0.222 117 S C 1.819 176.448 174.600 0.048 0.000 1.035 117 S CA 1.234 59.487 58.200 0.089 0.000 1.025 117 S CB -0.381 62.866 63.200 0.078 0.000 0.902 117 S HN 0.327 nan 8.310 nan 0.000 0.440 118 F N 0.728 120.599 119.950 -0.132 0.000 2.216 118 F HA -0.026 4.545 4.527 0.073 0.000 0.300 118 F C 1.830 177.527 175.800 -0.172 0.000 1.085 118 F CA 1.659 59.507 58.000 -0.254 0.000 1.326 118 F CB -0.528 38.045 39.000 -0.712 0.000 1.027 118 F HN 0.511 nan 8.300 nan 0.000 0.497 119 W N 2.385 123.587 121.300 -0.163 0.000 2.352 119 W HA -0.224 4.391 4.660 -0.074 0.000 0.322 119 W C 2.395 178.698 176.519 -0.359 0.000 1.208 119 W CA 2.388 59.486 57.345 -0.411 0.000 1.286 119 W CB -0.906 28.286 29.460 -0.448 0.000 1.167 119 W HN 0.288 nan 8.180 nan 0.000 0.469 120 E N -0.166 119.739 120.200 -0.491 0.000 2.448 120 E HA -0.289 4.030 4.350 -0.052 0.000 0.203 120 E C 1.668 177.903 176.600 -0.608 0.000 1.046 120 E CA 1.670 57.590 56.400 -0.799 0.000 0.871 120 E CB -0.494 29.068 29.700 -0.230 0.000 0.790 120 E HN 0.666 nan 8.360 nan 0.000 0.545 121 E N 0.160 120.027 120.200 -0.555 0.000 2.364 121 E HA 0.139 4.458 4.350 -0.052 0.000 0.203 121 E C 1.754 178.031 176.600 -0.538 0.000 0.888 121 E CA 0.527 56.641 56.400 -0.477 0.000 0.989 121 E CB 0.177 29.619 29.700 -0.431 0.000 0.985 121 E HN 0.265 nan 8.360 nan 0.000 0.499 122 A N 1.200 123.616 122.820 -0.673 0.000 2.169 122 A HA 0.051 4.340 4.320 -0.052 0.000 0.212 122 A C 2.024 179.365 177.584 -0.404 0.000 1.153 122 A CA 0.239 51.952 52.037 -0.540 0.000 0.756 122 A CB -0.200 18.480 19.000 -0.532 0.000 0.813 122 A HN 0.078 nan 8.150 nan 0.000 0.471 123 R N 0.100 120.245 120.500 -0.592 0.000 2.057 123 R HA -0.021 4.288 4.340 -0.052 0.000 0.224 123 R C -1.081 175.037 176.300 -0.302 0.000 1.136 123 R CA 1.162 56.973 56.100 -0.481 0.000 0.968 123 R CB -0.962 28.858 30.300 -0.799 0.000 0.863 123 R HN 0.288 nan 8.270 nan 0.000 0.433 124 P HA -0.134 nan 4.420 nan 0.000 0.219 124 P C -0.009 177.203 177.300 -0.148 0.000 1.146 124 P CA 1.109 64.086 63.100 -0.204 0.000 0.808 124 P CB -0.040 31.535 31.700 -0.208 0.000 0.779 125 R N 0.308 120.707 120.500 -0.169 0.000 2.536 125 R HA 0.145 4.453 4.340 -0.052 0.000 0.279 125 R C -0.198 176.069 176.300 -0.054 0.000 1.001 125 R CA -0.362 55.674 56.100 -0.107 0.000 1.027 125 R CB 0.346 30.564 30.300 -0.138 0.000 1.096 125 R HN -0.236 nan 8.270 nan 0.000 0.502 126 D N 1.177 121.590 120.400 0.021 0.000 2.881 126 D HA 0.016 4.625 4.640 -0.052 0.000 0.240 126 D C -0.907 175.498 176.300 0.174 0.000 1.249 126 D CA -0.035 54.042 54.000 0.129 0.000 0.839 126 D CB -0.082 40.811 40.800 0.154 0.000 1.042 126 D HN 0.286 nan 8.370 nan 0.000 0.475 127 D N 0.447 120.894 120.400 0.079 0.000 2.453 127 D HA -0.027 4.582 4.640 -0.052 0.000 0.223 127 D C 0.482 176.869 176.300 0.144 0.000 1.183 127 D CA -0.333 53.722 54.000 0.092 0.000 0.933 127 D CB 0.029 40.852 40.800 0.039 0.000 1.038 127 D HN 0.405 nan 8.370 nan 0.000 0.513 128 W N 4.974 126.171 121.300 -0.173 0.000 2.762 128 W HA 0.055 4.751 4.660 0.060 0.000 0.265 128 W C 1.385 177.860 176.519 -0.074 0.000 1.263 128 W CA -0.195 57.001 57.345 -0.249 0.000 1.411 128 W CB 0.178 28.968 29.460 -1.116 0.000 1.065 128 W HN 0.353 nan 8.180 nan 0.000 0.609 129 R N 0.661 121.141 120.500 -0.032 0.000 2.115 129 R HA -0.058 4.251 4.340 -0.052 0.000 0.230 129 R C 2.361 178.638 176.300 -0.038 0.000 1.111 129 R CA 1.838 57.906 56.100 -0.053 0.000 0.976 129 R CB -0.664 29.666 30.300 0.051 0.000 0.870 129 R HN 0.170 nan 8.270 nan 0.000 0.445 130 G N -0.449 108.424 108.800 0.122 0.000 2.453 130 G HA2 -0.214 3.715 3.960 -0.052 0.000 0.215 130 G HA3 -0.214 3.715 3.960 -0.052 0.000 0.215 130 G C 1.076 176.133 174.900 0.262 0.000 1.147 130 G CA -0.051 45.204 45.100 0.258 0.000 0.802 130 G HN 0.351 nan 8.290 nan 0.000 0.535 131 F N 1.064 121.132 119.950 0.197 0.000 2.234 131 F HA 0.176 4.652 4.527 -0.084 0.000 0.296 131 F C 2.148 177.861 175.800 -0.145 0.000 1.089 131 F CA 0.205 58.287 58.000 0.136 0.000 1.343 131 F CB -0.315 38.773 39.000 0.146 0.000 1.040 131 F HN 0.064 nan 8.300 nan 0.000 0.498 132 L N 1.700 122.503 121.223 -0.701 0.000 2.034 132 L HA -0.173 4.136 4.340 -0.052 0.000 0.217 132 L C -0.828 175.713 176.870 -0.548 0.000 1.077 132 L CA 2.438 56.744 54.840 -0.890 0.000 0.769 132 L CB -1.940 39.630 42.059 -0.815 0.000 0.890 132 L HN 0.018 nan 8.230 nan 0.000 0.435 133 P HA -0.183 nan 4.420 nan 0.000 0.215 133 P C 1.193 178.263 177.300 -0.384 0.000 1.153 133 P CA 1.635 64.520 63.100 -0.359 0.000 0.853 133 P CB -0.174 31.290 31.700 -0.394 0.000 0.788 134 Y N -1.178 118.880 120.300 -0.402 0.000 2.242 134 Y HA -0.118 4.298 4.550 -0.224 0.000 0.291 134 Y C 2.274 177.986 175.900 -0.314 0.000 1.137 134 Y CA 0.739 58.663 58.100 -0.294 0.000 1.181 134 Y CB -1.288 37.069 38.460 -0.172 0.000 0.989 134 Y HN -0.116 nan 8.280 nan 0.000 0.527 135 L N 0.695 121.642 121.223 -0.459 0.000 2.027 135 L HA -0.167 4.142 4.340 -0.052 0.000 0.206 135 L C 1.962 178.754 176.870 -0.130 0.000 1.074 135 L CA 1.828 56.442 54.840 -0.377 0.000 0.745 135 L CB -0.564 41.067 42.059 -0.713 0.000 0.898 135 L HN 0.022 nan 8.230 nan 0.000 0.433 136 K N -0.756 119.527 120.400 -0.196 0.000 2.097 136 K HA -0.213 4.075 4.320 -0.052 0.000 0.206 136 K C 2.294 178.872 176.600 -0.037 0.000 1.049 136 K CA 1.581 57.813 56.287 -0.090 0.000 0.933 136 K CB -0.269 32.148 32.500 -0.139 0.000 0.717 136 K HN 0.321 nan 8.250 nan 0.000 0.442 137 R N 1.039 121.489 120.500 -0.083 0.000 2.062 137 R HA -0.115 4.194 4.340 -0.052 0.000 0.231 137 R C 2.165 178.459 176.300 -0.010 0.000 1.136 137 R CA 1.288 57.348 56.100 -0.066 0.000 0.948 137 R CB -0.257 29.984 30.300 -0.098 0.000 0.845 137 R HN -0.033 nan 8.270 nan 0.000 0.430 138 V N 0.599 120.543 119.914 0.050 0.000 2.332 138 V HA -0.287 3.802 4.120 -0.052 0.000 0.248 138 V C 2.087 178.251 176.094 0.116 0.000 1.055 138 V CA 2.053 64.430 62.300 0.128 0.000 1.038 138 V CB -0.796 31.169 31.823 0.236 0.000 0.651 138 V HN 0.429 nan 8.190 nan 0.000 0.450 139 Y N 1.449 121.720 120.300 -0.049 0.000 2.114 139 Y HA -0.235 4.282 4.550 -0.055 0.000 0.284 139 Y C 2.403 178.155 175.900 -0.246 0.000 1.143 139 Y CA 1.579 59.511 58.100 -0.279 0.000 1.135 139 Y CB -0.809 37.437 38.460 -0.357 0.000 0.980 139 Y HN 0.139 nan 8.280 nan 0.000 0.499 140 A N 0.439 123.104 122.820 -0.257 0.000 1.883 140 A HA -0.197 4.092 4.320 -0.052 0.000 0.217 140 A C 2.324 179.760 177.584 -0.247 0.000 1.186 140 A CA 2.118 53.977 52.037 -0.297 0.000 0.624 140 A CB -1.243 17.679 19.000 -0.130 0.000 0.822 140 A HN 0.571 nan 8.150 nan 0.000 0.444 141 L N -1.045 120.092 121.223 -0.143 0.000 2.156 141 L HA -0.109 4.200 4.340 -0.052 0.000 0.208 141 L C 2.652 179.473 176.870 -0.082 0.000 1.095 141 L CA 1.516 56.304 54.840 -0.086 0.000 0.770 141 L CB -0.760 41.280 42.059 -0.032 0.000 0.914 141 L HN 0.325 nan 8.230 nan 0.000 0.439 142 T N -0.623 113.870 114.554 -0.101 0.000 2.821 142 T HA -0.190 4.129 4.350 -0.052 0.000 0.267 142 T C 1.933 176.591 174.700 -0.069 0.000 1.046 142 T CA 1.143 63.220 62.100 -0.038 0.000 1.139 142 T CB -0.024 68.866 68.868 0.036 0.000 0.871 142 T HN 0.239 nan 8.240 nan 0.000 0.454 143 K N 1.026 121.289 120.400 -0.227 0.000 2.148 143 K HA -0.093 4.195 4.320 -0.052 0.000 0.204 143 K C 2.278 178.825 176.600 -0.088 0.000 1.050 143 K CA 1.225 57.437 56.287 -0.126 0.000 0.942 143 K CB -0.007 32.225 32.500 -0.446 0.000 0.724 143 K HN 0.382 nan 8.250 nan 0.000 0.446 144 E N 0.822 120.956 120.200 -0.109 0.000 2.072 144 E HA -0.220 4.099 4.350 -0.052 0.000 0.191 144 E C 1.955 178.532 176.600 -0.039 0.000 0.985 144 E CA 1.163 57.524 56.400 -0.065 0.000 0.801 144 E CB 0.097 29.757 29.700 -0.066 0.000 0.750 144 E HN 0.205 nan 8.360 nan 0.000 0.452 145 K N 0.195 120.572 120.400 -0.039 0.000 2.026 145 K HA -0.166 4.123 4.320 -0.052 0.000 0.208 145 K C 2.054 178.629 176.600 -0.043 0.000 1.048 145 K CA 1.292 57.561 56.287 -0.030 0.000 0.929 145 K CB -0.221 32.267 32.500 -0.020 0.000 0.713 145 K HN 0.149 nan 8.250 nan 0.000 0.439 146 A N 1.384 124.165 122.820 -0.065 0.000 1.908 146 A HA -0.230 4.059 4.320 -0.052 0.000 0.218 146 A C 1.860 179.423 177.584 -0.035 0.000 1.181 146 A CA 1.958 53.928 52.037 -0.111 0.000 0.627 146 A CB -0.577 18.312 19.000 -0.185 0.000 0.818 146 A HN 0.531 nan 8.150 nan 0.000 0.445 147 E N -0.486 119.715 120.200 0.001 0.000 2.110 147 E HA -0.114 4.205 4.350 -0.052 0.000 0.193 147 E C 1.990 178.646 176.600 0.094 0.000 0.988 147 E CA 1.207 57.654 56.400 0.078 0.000 0.804 147 E CB -0.298 29.428 29.700 0.043 0.000 0.745 147 E HN 0.413 nan 8.360 nan 0.000 0.458 148 V N 1.548 121.484 119.914 0.036 0.000 2.261 148 V HA -0.256 3.833 4.120 -0.052 0.000 0.246 148 V C 2.310 178.422 176.094 0.029 0.000 1.047 148 V CA 1.576 63.891 62.300 0.025 0.000 1.015 148 V CB -0.445 31.381 31.823 0.004 0.000 0.642 148 V HN 0.258 nan 8.190 nan 0.000 0.446 149 L N -1.203 120.029 121.223 0.014 0.000 2.131 149 L HA -0.175 4.134 4.340 -0.052 0.000 0.210 149 L C 2.373 179.262 176.870 0.033 0.000 1.092 149 L CA 1.562 56.407 54.840 0.009 0.000 0.759 149 L CB -0.627 41.402 42.059 -0.050 0.000 0.903 149 L HN 0.360 nan 8.230 nan 0.000 0.435 150 F N 1.036 120.896 119.950 -0.151 0.000 2.293 150 F HA -0.062 4.434 4.527 -0.051 0.000 0.300 150 F C 2.282 178.116 175.800 0.056 0.000 1.086 150 F CA 0.797 58.705 58.000 -0.153 0.000 1.375 150 F CB -0.137 38.765 39.000 -0.163 0.000 1.045 150 F HN -0.026 nan 8.300 nan 0.000 0.516 151 A N 0.289 123.077 122.820 -0.054 0.000 2.206 151 A HA 0.188 4.477 4.320 -0.052 0.000 0.211 151 A C 0.847 178.382 177.584 -0.082 0.000 1.158 151 A CA 0.178 52.146 52.037 -0.115 0.000 0.761 151 A CB -0.707 18.284 19.000 -0.015 0.000 0.801 151 A HN 0.275 nan 8.150 nan 0.000 0.473 152 L N 0.856 122.072 121.223 -0.011 0.000 2.344 152 L HA 0.372 4.681 4.340 -0.052 0.000 0.272 152 L C -2.185 174.710 176.870 0.041 0.000 1.035 152 L CA -2.417 52.434 54.840 0.019 0.000 0.807 152 L CB 1.271 43.357 42.059 0.044 0.000 1.237 152 L HN 0.033 nan 8.230 nan 0.000 0.442 153 P HA 0.153 nan 4.420 nan 0.000 0.271 153 P C -2.551 174.677 177.300 -0.119 0.000 1.216 153 P CA -0.920 62.126 63.100 -0.091 0.000 0.776 153 P CB 0.006 31.663 31.700 -0.072 0.000 0.881 154 P HA 0.098 nan 4.420 nan 0.000 0.275 154 P C -0.324 176.892 177.300 -0.141 0.000 1.270 154 P CA -0.289 62.581 63.100 -0.383 0.000 0.791 154 P CB 0.322 31.589 31.700 -0.722 0.000 1.089 155 A N 0.932 123.710 122.820 -0.071 0.000 2.462 155 A HA 0.331 4.620 4.320 -0.052 0.000 0.243 155 A C -2.045 175.514 177.584 -0.042 0.000 1.076 155 A CA -1.038 50.984 52.037 -0.024 0.000 0.773 155 A CB -1.590 17.413 19.000 0.006 0.000 1.010 155 A HN 0.385 nan 8.150 nan 0.000 0.493 156 P HA 0.211 nan 4.420 nan 0.000 0.264 156 P C 1.131 178.418 177.300 -0.021 0.000 1.183 156 P CA 1.958 65.043 63.100 -0.025 0.000 0.763 156 P CB 0.584 32.277 31.700 -0.011 0.000 0.807 157 G N 1.918 110.704 108.800 -0.023 0.000 2.253 157 G HA2 -0.213 3.716 3.960 -0.052 0.000 0.251 157 G HA3 -0.213 3.716 3.960 -0.052 0.000 0.251 157 G C -0.189 174.703 174.900 -0.012 0.000 0.998 157 G CA -0.027 45.066 45.100 -0.011 0.000 0.621 157 G HN 0.549 nan 8.290 nan 0.000 0.524 158 D N 2.538 122.921 120.400 -0.029 0.000 2.264 158 D HA 0.539 5.148 4.640 -0.052 0.000 0.249 158 D C -1.485 174.781 176.300 -0.056 0.000 1.070 158 D CA -0.926 53.056 54.000 -0.030 0.000 0.912 158 D CB 1.291 42.067 40.800 -0.040 0.000 1.193 158 D HN 0.220 nan 8.370 nan 0.000 0.427 159 P HA 0.161 nan 4.420 nan 0.000 0.272 159 P C -2.564 174.682 177.300 -0.089 0.000 1.230 159 P CA -1.152 61.930 63.100 -0.029 0.000 0.788 159 P CB -0.122 31.590 31.700 0.020 0.000 0.949 160 P HA 0.054 nan 4.420 nan 0.000 0.270 160 P C -0.500 176.791 177.300 -0.015 0.000 1.223 160 P CA 0.079 63.099 63.100 -0.133 0.000 0.785 160 P CB 0.316 31.985 31.700 -0.053 0.000 0.923 161 Y N -0.542 119.815 120.300 0.095 0.000 2.442 161 Y HA 0.211 4.731 4.550 -0.050 0.000 0.330 161 Y C 2.057 178.109 175.900 0.253 0.000 1.129 161 Y CA -0.359 57.865 58.100 0.206 0.000 1.365 161 Y CB 0.375 39.042 38.460 0.345 0.000 1.233 161 Y HN 0.468 nan 8.280 nan 0.000 0.529 162 G N 2.287 111.315 108.800 0.381 0.000 2.838 162 G HA2 0.149 4.078 3.960 -0.052 0.000 0.210 162 G HA3 0.149 4.078 3.960 -0.052 0.000 0.210 162 G C -0.233 174.817 174.900 0.249 0.000 1.153 162 G CA 0.118 45.379 45.100 0.268 0.000 0.778 162 G HN 0.765 nan 8.290 nan 0.000 0.539 163 E N -2.080 118.258 120.200 0.229 0.000 2.411 163 E HA 0.157 4.476 4.350 -0.052 0.000 0.279 163 E C 0.254 176.536 176.600 -0.530 0.000 1.132 163 E CA -0.938 55.411 56.400 -0.085 0.000 0.876 163 E CB 0.185 29.875 29.700 -0.016 0.000 1.335 163 E HN -0.125 nan 8.360 nan 0.000 0.436 164 L N 0.870 121.520 121.223 -0.955 0.000 2.034 164 L HA -0.227 4.082 4.340 -0.052 0.000 0.217 164 L C 2.097 178.681 176.870 -0.476 0.000 1.077 164 L CA 2.369 56.629 54.840 -0.967 0.000 0.769 164 L CB -0.986 40.770 42.059 -0.505 0.000 0.890 164 L HN 0.769 nan 8.230 nan 0.000 0.435 165 Y N 0.663 120.727 120.300 -0.393 0.000 2.151 165 Y HA -0.308 4.209 4.550 -0.054 0.000 0.284 165 Y C 2.315 178.062 175.900 -0.254 0.000 1.166 165 Y CA 2.136 60.015 58.100 -0.368 0.000 1.163 165 Y CB -0.495 37.865 38.460 -0.168 0.000 0.974 165 Y HN 0.389 nan 8.280 nan 0.000 0.511 166 D N -0.171 120.156 120.400 -0.121 0.000 2.182 166 D HA -0.198 4.411 4.640 -0.052 0.000 0.201 166 D C 2.240 178.381 176.300 -0.264 0.000 0.986 166 D CA 1.311 55.261 54.000 -0.084 0.000 0.847 166 D CB -0.518 40.388 40.800 0.177 0.000 0.942 166 D HN 0.496 nan 8.370 nan 0.000 0.467 167 A N 0.344 122.877 122.820 -0.479 0.000 2.019 167 A HA -0.105 4.184 4.320 -0.052 0.000 0.219 167 A C 2.333 179.697 177.584 -0.367 0.000 1.164 167 A CA 0.810 52.495 52.037 -0.586 0.000 0.644 167 A CB -0.453 18.263 19.000 -0.474 0.000 0.805 167 A HN 0.216 nan 8.150 nan 0.000 0.449 168 L N -1.112 119.862 121.223 -0.416 0.000 2.168 168 L HA -0.010 4.299 4.340 -0.052 0.000 0.203 168 L C 2.459 179.161 176.870 -0.279 0.000 1.078 168 L CA 0.488 55.110 54.840 -0.363 0.000 0.780 168 L CB -0.507 41.275 42.059 -0.461 0.000 0.939 168 L HN 0.329 nan 8.230 nan 0.000 0.451 169 L N 0.052 121.070 121.223 -0.342 0.000 2.043 169 L HA -0.292 4.017 4.340 -0.052 0.000 0.212 169 L C 2.177 179.032 176.870 -0.026 0.000 1.075 169 L CA 1.666 56.424 54.840 -0.137 0.000 0.752 169 L CB -0.590 41.394 42.059 -0.125 0.000 0.891 169 L HN 0.317 nan 8.230 nan 0.000 0.432 170 D N -0.056 120.322 120.400 -0.036 0.000 2.149 170 D HA -0.169 4.440 4.640 -0.052 0.000 0.198 170 D C 2.123 178.403 176.300 -0.033 0.000 0.990 170 D CA 1.381 55.404 54.000 0.037 0.000 0.839 170 D CB -0.079 40.810 40.800 0.148 0.000 0.948 170 D HN 0.272 nan 8.370 nan 0.000 0.460 171 G N -1.396 107.301 108.800 -0.173 0.000 2.422 171 G HA2 -0.263 3.665 3.960 -0.052 0.000 0.218 171 G HA3 -0.263 3.665 3.960 -0.052 0.000 0.218 171 G C 1.170 175.872 174.900 -0.330 0.000 1.146 171 G CA 0.923 45.841 45.100 -0.304 0.000 0.769 171 G HN 0.390 nan 8.290 nan 0.000 0.547 172 Y N -0.411 119.883 120.300 -0.010 0.000 2.436 172 Y HA 0.276 4.794 4.550 -0.053 0.000 0.288 172 Y C 0.921 176.811 175.900 -0.017 0.000 1.112 172 Y CA 0.232 58.306 58.100 -0.042 0.000 1.220 172 Y CB 0.809 39.189 38.460 -0.133 0.000 1.073 172 Y HN -0.025 nan 8.280 nan 0.000 0.552 173 E N 0.808 121.095 120.200 0.144 0.000 2.593 173 E HA 0.279 4.598 4.350 -0.052 0.000 0.232 173 E C -2.743 173.927 176.600 0.117 0.000 1.026 173 E CA -2.470 54.013 56.400 0.138 0.000 0.772 173 E CB 0.954 30.743 29.700 0.148 0.000 1.310 173 E HN -0.002 nan 8.360 nan 0.000 0.413 174 P HA -0.063 nan 4.420 nan 0.000 0.255 174 P C 0.955 178.315 177.300 0.099 0.000 1.161 174 P CA 1.238 64.391 63.100 0.087 0.000 0.768 174 P CB 0.413 32.157 31.700 0.074 0.000 0.746 175 G N 2.206 111.068 108.800 0.103 0.000 2.217 175 G HA2 -0.305 3.624 3.960 -0.052 0.000 0.246 175 G HA3 -0.305 3.624 3.960 -0.052 0.000 0.246 175 G C 0.187 175.159 174.900 0.120 0.000 0.990 175 G CA 0.104 45.263 45.100 0.099 0.000 0.627 175 G HN 0.561 nan 8.290 nan 0.000 0.522 176 M N 1.797 121.478 119.600 0.135 0.000 2.238 176 M HA 0.667 5.115 4.480 -0.052 0.000 0.347 176 M C 0.432 176.826 176.300 0.157 0.000 1.173 176 M CA -0.347 55.042 55.300 0.149 0.000 1.147 176 M CB 0.365 33.060 32.600 0.158 0.000 1.547 176 M HN 0.236 nan 8.290 nan 0.000 0.455 177 R N 3.212 123.811 120.500 0.165 0.000 2.771 177 R HA 0.590 4.899 4.340 -0.052 0.000 0.274 177 R C 0.319 176.734 176.300 0.191 0.000 0.987 177 R CA -0.114 56.094 56.100 0.181 0.000 0.908 177 R CB 0.859 31.264 30.300 0.175 0.000 1.213 177 R HN 0.859 nan 8.270 nan 0.000 0.468 178 A N 1.423 124.372 122.820 0.216 0.000 2.076 178 A HA -0.180 4.108 4.320 -0.052 0.000 0.220 178 A C 2.121 179.801 177.584 0.160 0.000 1.160 178 A CA 1.600 53.764 52.037 0.212 0.000 0.653 178 A CB -0.367 18.763 19.000 0.217 0.000 0.801 178 A HN 0.720 nan 8.150 nan 0.000 0.455 179 R N -0.385 120.204 120.500 0.149 0.000 2.083 179 R HA -0.204 4.105 4.340 -0.052 0.000 0.237 179 R C 2.193 178.568 176.300 0.124 0.000 1.137 179 R CA 1.993 58.167 56.100 0.123 0.000 0.951 179 R CB -0.211 30.160 30.300 0.117 0.000 0.851 179 R HN 0.734 nan 8.270 nan 0.000 0.434 180 E N -0.182 120.100 120.200 0.136 0.000 2.371 180 E HA -0.073 4.245 4.350 -0.052 0.000 0.194 180 E C 1.888 178.589 176.600 0.167 0.000 1.012 180 E CA 0.172 56.653 56.400 0.135 0.000 0.860 180 E CB 0.173 29.950 29.700 0.129 0.000 0.811 180 E HN 0.357 nan 8.360 nan 0.000 0.502 181 L N 0.527 121.876 121.223 0.209 0.000 2.023 181 L HA -0.134 4.174 4.340 -0.052 0.000 0.205 181 L C 2.502 179.603 176.870 0.386 0.000 1.073 181 L CA 0.765 55.795 54.840 0.317 0.000 0.745 181 L CB -0.436 41.818 42.059 0.326 0.000 0.900 181 L HN 0.244 nan 8.230 nan 0.000 0.435 182 L N 0.216 121.582 121.223 0.239 0.000 1.990 182 L HA -0.190 4.119 4.340 -0.052 0.000 0.213 182 L C -0.089 176.902 176.870 0.201 0.000 1.072 182 L CA 1.605 56.563 54.840 0.197 0.000 0.755 182 L CB -2.359 39.761 42.059 0.102 0.000 0.889 182 L HN 0.267 nan 8.230 nan 0.000 0.432 183 P HA -0.187 nan 4.420 nan 0.000 0.218 183 P C 1.899 179.261 177.300 0.102 0.000 1.148 183 P CA 1.581 64.747 63.100 0.110 0.000 0.822 183 P CB 0.049 31.802 31.700 0.088 0.000 0.784 184 L N -2.307 118.983 121.223 0.112 0.000 2.056 184 L HA -0.093 4.216 4.340 -0.052 0.000 0.207 184 L C 2.708 179.543 176.870 -0.058 0.000 1.078 184 L CA 1.311 56.157 54.840 0.011 0.000 0.749 184 L CB -0.884 41.151 42.059 -0.039 0.000 0.901 184 L HN -0.153 nan 8.230 nan 0.000 0.433 185 F N -0.127 119.831 119.950 0.013 0.000 2.206 185 F HA -0.105 4.392 4.527 -0.051 0.000 0.298 185 F C 2.564 178.359 175.800 -0.008 0.000 1.090 185 F CA 1.024 59.018 58.000 -0.010 0.000 1.323 185 F CB -0.596 38.387 39.000 -0.029 0.000 1.028 185 F HN -0.015 nan 8.300 nan 0.000 0.492 186 A N -0.213 122.712 122.820 0.175 0.000 1.877 186 A HA -0.244 4.045 4.320 -0.052 0.000 0.216 186 A C 2.129 179.754 177.584 0.068 0.000 1.186 186 A CA 1.908 54.009 52.037 0.106 0.000 0.620 186 A CB -0.913 18.140 19.000 0.088 0.000 0.822 186 A HN 0.409 nan 8.150 nan 0.000 0.443 187 E N -0.776 119.456 120.200 0.054 0.000 2.038 187 E HA -0.233 4.086 4.350 -0.052 0.000 0.195 187 E C 1.904 178.522 176.600 0.030 0.000 1.000 187 E CA 1.491 57.913 56.400 0.037 0.000 0.803 187 E CB -0.234 29.484 29.700 0.030 0.000 0.750 187 E HN 0.394 nan 8.360 nan 0.000 0.448 188 L N 1.595 122.823 121.223 0.008 0.000 2.042 188 L HA -0.203 4.106 4.340 -0.052 0.000 0.210 188 L C 2.315 179.200 176.870 0.026 0.000 1.076 188 L CA 2.004 56.850 54.840 0.010 0.000 0.749 188 L CB -0.553 41.450 42.059 -0.094 0.000 0.893 188 L HN 0.055 nan 8.230 nan 0.000 0.432 189 K N -0.897 119.522 120.400 0.032 0.000 2.057 189 K HA -0.263 4.026 4.320 -0.052 0.000 0.207 189 K C 2.092 178.708 176.600 0.027 0.000 1.049 189 K CA 1.672 57.979 56.287 0.032 0.000 0.931 189 K CB -0.070 32.464 32.500 0.056 0.000 0.714 189 K HN 0.277 nan 8.250 nan 0.000 0.440 190 E N -0.098 120.120 120.200 0.030 0.000 2.051 190 E HA -0.101 4.218 4.350 -0.052 0.000 0.192 190 E C 1.827 178.432 176.600 0.008 0.000 0.991 190 E CA 1.857 58.269 56.400 0.019 0.000 0.799 190 E CB -0.628 29.086 29.700 0.023 0.000 0.748 190 E HN 0.439 nan 8.360 nan 0.000 0.449 191 G N 0.530 109.338 108.800 0.013 0.000 2.402 191 G HA2 -0.202 3.727 3.960 -0.052 0.000 0.216 191 G HA3 -0.202 3.727 3.960 -0.052 0.000 0.216 191 G C 1.600 176.491 174.900 -0.015 0.000 1.162 191 G CA 0.883 45.985 45.100 0.003 0.000 0.777 191 G HN 0.281 nan 8.290 nan 0.000 0.539 192 L N -0.128 121.091 121.223 -0.007 0.000 2.056 192 L HA -0.042 4.266 4.340 -0.052 0.000 0.207 192 L C 2.984 179.823 176.870 -0.051 0.000 1.078 192 L CA 0.893 55.714 54.840 -0.032 0.000 0.749 192 L CB -0.397 41.655 42.059 -0.011 0.000 0.901 192 L HN 0.056 nan 8.230 nan 0.000 0.433 193 K N 0.581 120.961 120.400 -0.034 0.000 2.020 193 K HA -0.175 4.114 4.320 -0.052 0.000 0.212 193 K C 2.064 178.635 176.600 -0.049 0.000 1.050 193 K CA 1.788 58.052 56.287 -0.039 0.000 0.929 193 K CB -0.843 31.645 32.500 -0.020 0.000 0.714 193 K HN 0.416 nan 8.250 nan 0.000 0.443 194 G N 1.141 109.916 108.800 -0.041 0.000 2.408 194 G HA2 -0.212 3.716 3.960 -0.052 0.000 0.217 194 G HA3 -0.212 3.716 3.960 -0.052 0.000 0.217 194 G C 1.546 176.410 174.900 -0.060 0.000 1.150 194 G CA 0.519 45.594 45.100 -0.043 0.000 0.776 194 G HN 0.247 nan 8.290 nan 0.000 0.542 195 L N 0.451 121.629 121.223 -0.075 0.000 2.056 195 L HA 0.185 4.493 4.340 -0.052 0.000 0.207 195 L C 2.612 179.396 176.870 -0.144 0.000 1.078 195 L CA 1.240 56.018 54.840 -0.103 0.000 0.749 195 L CB -0.441 41.543 42.059 -0.125 0.000 0.901 195 L HN 0.183 nan 8.230 nan 0.000 0.433 196 L N -0.561 120.575 121.223 -0.146 0.000 2.131 196 L HA -0.206 4.103 4.340 -0.052 0.000 0.210 196 L C 2.216 179.002 176.870 -0.140 0.000 1.092 196 L CA 1.210 55.949 54.840 -0.168 0.000 0.759 196 L CB -0.793 41.184 42.059 -0.136 0.000 0.903 196 L HN 0.338 nan 8.230 nan 0.000 0.435 197 D N 0.080 120.419 120.400 -0.100 0.000 2.084 197 D HA -0.151 4.458 4.640 -0.052 0.000 0.196 197 D C 2.287 178.542 176.300 -0.075 0.000 0.985 197 D CA 1.165 55.119 54.000 -0.076 0.000 0.826 197 D CB -0.143 40.624 40.800 -0.055 0.000 0.978 197 D HN 0.293 nan 8.370 nan 0.000 0.456 198 R N 0.484 120.940 120.500 -0.072 0.000 2.091 198 R HA -0.053 4.256 4.340 -0.052 0.000 0.238 198 R C 2.620 178.878 176.300 -0.071 0.000 1.136 198 R CA 0.761 56.830 56.100 -0.052 0.000 0.959 198 R CB -0.308 29.969 30.300 -0.037 0.000 0.856 198 R HN 0.237 nan 8.270 nan 0.000 0.437 199 I N 0.435 120.907 120.570 -0.162 0.000 2.226 199 I HA -0.269 3.870 4.170 -0.052 0.000 0.245 199 I C 2.266 178.255 176.117 -0.212 0.000 1.100 199 I CA 0.859 61.964 61.300 -0.325 0.000 1.374 199 I CB -0.219 37.409 38.000 -0.620 0.000 1.057 199 I HN 0.143 nan 8.210 nan 0.000 0.413 200 L N 1.126 122.259 121.223 -0.151 0.000 2.005 200 L HA -0.058 4.251 4.340 -0.052 0.000 0.207 200 L C 2.272 179.124 176.870 -0.030 0.000 1.072 200 L CA 2.149 56.939 54.840 -0.083 0.000 0.744 200 L CB -1.168 40.845 42.059 -0.076 0.000 0.895 200 L HN 0.164 nan 8.230 nan 0.000 0.433 201 G N -1.359 107.425 108.800 -0.027 0.000 2.776 201 G HA2 -0.118 3.811 3.960 -0.052 0.000 0.209 201 G HA3 -0.118 3.811 3.960 -0.052 0.000 0.209 201 G C 0.797 175.712 174.900 0.025 0.000 1.145 201 G CA 0.600 45.698 45.100 -0.002 0.000 0.791 201 G HN 0.427 nan 8.290 nan 0.000 0.530 202 S N -0.450 115.277 115.700 0.046 0.000 2.564 202 S HA 0.429 4.868 4.470 -0.052 0.000 0.278 202 S C 1.663 176.340 174.600 0.128 0.000 1.333 202 S CA 0.141 58.407 58.200 0.111 0.000 1.048 202 S CB 1.367 64.694 63.200 0.212 0.000 0.900 202 S HN 0.176 nan 8.310 nan 0.000 0.505 203 G N 3.708 112.576 108.800 0.113 0.000 2.813 203 G HA2 0.105 4.033 3.960 -0.052 0.000 0.209 203 G HA3 0.105 4.033 3.960 -0.052 0.000 0.209 203 G C 0.173 175.149 174.900 0.128 0.000 1.150 203 G CA -0.074 45.084 45.100 0.097 0.000 0.785 203 G HN 0.646 nan 8.290 nan 0.000 0.535 204 K N 0.677 121.193 120.400 0.193 0.000 2.234 204 K HA 0.464 4.752 4.320 -0.052 0.000 0.282 204 K C -0.289 176.497 176.600 0.310 0.000 1.039 204 K CA -0.434 55.992 56.287 0.233 0.000 0.928 204 K CB 1.443 34.051 32.500 0.180 0.000 1.039 204 K HN -0.003 nan 8.250 nan 0.000 0.470 205 R N 4.032 124.648 120.500 0.194 0.000 2.532 205 R HA 0.324 4.633 4.340 -0.052 0.000 0.297 205 R C -2.676 173.415 176.300 -0.348 0.000 0.984 205 R CA -1.745 54.358 56.100 0.005 0.000 0.884 205 R CB 1.551 31.861 30.300 0.017 0.000 1.182 205 R HN 0.489 nan 8.270 nan 0.000 0.442 206 P HA 0.097 nan 4.420 nan 0.000 0.278 206 P C -0.954 176.073 177.300 -0.454 0.000 1.238 206 P CA -0.276 62.128 63.100 -1.161 0.000 0.794 206 P CB 0.977 31.840 31.700 -1.395 0.000 0.955 207 D N 1.357 121.568 120.400 -0.315 0.000 2.564 207 D HA 0.078 4.687 4.640 -0.052 0.000 0.226 207 D C 0.900 177.139 176.300 -0.101 0.000 1.149 207 D CA -0.175 53.740 54.000 -0.142 0.000 0.994 207 D CB -0.326 40.434 40.800 -0.066 0.000 1.029 207 D HN 0.123 nan 8.370 nan 0.000 0.517 208 T N -0.121 114.377 114.554 -0.093 0.000 2.929 208 T HA -0.166 4.152 4.350 -0.052 0.000 0.271 208 T C 1.894 176.662 174.700 0.113 0.000 1.085 208 T CA 1.211 63.305 62.100 -0.009 0.000 1.125 208 T CB 0.058 68.932 68.868 0.010 0.000 0.874 208 T HN 0.301 nan 8.240 nan 0.000 0.494 209 S N 0.634 116.383 115.700 0.081 0.000 2.400 209 S HA -0.090 4.349 4.470 -0.052 0.000 0.232 209 S C 1.935 176.638 174.600 0.170 0.000 1.025 209 S CA 0.874 59.149 58.200 0.124 0.000 0.993 209 S CB -0.468 62.766 63.200 0.056 0.000 0.808 209 S HN 0.542 nan 8.310 nan 0.000 0.478 210 I N 1.258 121.906 120.570 0.129 0.000 2.208 210 I HA -0.200 3.939 4.170 -0.052 0.000 0.245 210 I C 1.979 178.259 176.117 0.272 0.000 1.097 210 I CA 1.214 62.619 61.300 0.175 0.000 1.363 210 I CB -0.406 37.682 38.000 0.147 0.000 1.051 210 I HN 0.320 nan 8.210 nan 0.000 0.413 211 L N -0.233 121.097 121.223 0.177 0.000 2.362 211 L HA -0.168 4.141 4.340 -0.052 0.000 0.219 211 L C 1.794 178.793 176.870 0.216 0.000 1.134 211 L CA 0.862 55.791 54.840 0.150 0.000 0.807 211 L CB -0.758 41.349 42.059 0.079 0.000 0.927 211 L HN 0.408 nan 8.230 nan 0.000 0.447 212 H N -0.231 119.034 119.070 0.324 0.000 2.520 212 H HA 0.245 4.770 4.556 -0.052 0.000 0.284 212 H C 0.690 176.172 175.328 0.257 0.000 1.037 212 H CA -0.150 56.056 56.048 0.263 0.000 1.168 212 H CB 0.397 30.201 29.762 0.068 0.000 1.497 212 H HN 0.332 nan 8.280 nan 0.000 0.547 213 R N 1.369 122.092 120.500 0.373 0.000 2.574 213 R HA 0.180 4.488 4.340 -0.052 0.000 0.266 213 R C -2.210 174.141 176.300 0.085 0.000 1.157 213 R CA -1.505 54.685 56.100 0.150 0.000 1.187 213 R CB -0.338 29.967 30.300 0.008 0.000 1.179 213 R HN 0.083 nan 8.270 nan 0.000 0.600 214 P HA 0.057 nan 4.420 nan 0.000 0.279 214 P C -1.417 175.681 177.300 -0.336 0.000 1.239 214 P CA 0.222 63.289 63.100 -0.055 0.000 0.789 214 P CB 0.442 32.131 31.700 -0.020 0.000 0.933 215 Y N 2.287 122.664 120.300 0.128 0.000 2.475 215 Y HA 0.285 4.803 4.550 -0.052 0.000 0.343 215 Y C -2.159 173.861 175.900 0.200 0.000 1.068 215 Y CA -2.342 55.833 58.100 0.125 0.000 1.307 215 Y CB 1.231 39.638 38.460 -0.088 0.000 1.097 215 Y HN 0.270 nan 8.280 nan 0.000 0.530 216 P HA -0.097 nan 4.420 nan 0.000 0.259 216 P C 1.009 178.430 177.300 0.202 0.000 1.163 216 P CA 0.533 63.757 63.100 0.207 0.000 0.760 216 P CB 0.964 32.756 31.700 0.153 0.000 0.762 217 V N 3.239 123.203 119.914 0.083 0.000 2.490 217 V HA -0.231 3.858 4.120 -0.052 0.000 0.250 217 V C 2.215 178.188 176.094 -0.202 0.000 1.061 217 V CA 2.138 64.393 62.300 -0.075 0.000 1.064 217 V CB -0.871 30.888 31.823 -0.107 0.000 0.670 217 V HN 0.557 nan 8.190 nan 0.000 0.461 218 E N 0.837 120.981 120.200 -0.093 0.000 2.150 218 E HA -0.110 4.209 4.350 -0.052 0.000 0.193 218 E C 2.109 178.679 176.600 -0.049 0.000 0.985 218 E CA 1.434 57.776 56.400 -0.097 0.000 0.814 218 E CB -0.389 29.282 29.700 -0.049 0.000 0.752 218 E HN 0.516 nan 8.360 nan 0.000 0.466 219 A N 0.281 123.111 122.820 0.016 0.000 1.929 219 A HA -0.161 4.128 4.320 -0.052 0.000 0.216 219 A C 2.127 179.792 177.584 0.136 0.000 1.176 219 A CA 1.380 53.410 52.037 -0.012 0.000 0.628 219 A CB -0.438 18.499 19.000 -0.104 0.000 0.816 219 A HN 0.309 nan 8.150 nan 0.000 0.444 220 Q N -0.912 119.061 119.800 0.288 0.000 2.124 220 Q HA -0.186 4.123 4.340 -0.052 0.000 0.202 220 Q C 2.372 178.500 176.000 0.213 0.000 0.977 220 Q CA 1.562 57.591 55.803 0.376 0.000 0.850 220 Q CB -0.161 28.707 28.738 0.216 0.000 0.901 220 Q HN 0.724 nan 8.270 nan 0.000 0.429 221 R N 0.832 121.280 120.500 -0.087 0.000 2.062 221 R HA -0.110 4.199 4.340 -0.052 0.000 0.231 221 R C 2.150 178.501 176.300 0.085 0.000 1.136 221 R CA 1.261 57.343 56.100 -0.029 0.000 0.948 221 R CB -0.014 30.181 30.300 -0.174 0.000 0.845 221 R HN 0.080 nan 8.270 nan 0.000 0.430 222 R N -0.656 119.881 120.500 0.063 0.000 2.127 222 R HA -0.166 4.143 4.340 -0.052 0.000 0.238 222 R C 2.167 178.551 176.300 0.140 0.000 1.134 222 R CA 1.645 57.789 56.100 0.074 0.000 0.975 222 R CB -0.373 29.950 30.300 0.037 0.000 0.865 222 R HN 0.254 nan 8.270 nan 0.000 0.447 223 F N 1.055 121.023 119.950 0.030 0.000 2.128 223 F HA -0.054 4.441 4.527 -0.052 0.000 0.295 223 F C 2.225 178.050 175.800 0.043 0.000 1.100 223 F CA 1.081 59.119 58.000 0.063 0.000 1.260 223 F CB -0.522 38.597 39.000 0.199 0.000 1.009 223 F HN -0.043 nan 8.300 nan 0.000 0.476 224 A N 0.727 123.599 122.820 0.085 0.000 1.883 224 A HA -0.182 4.106 4.320 -0.052 0.000 0.217 224 A C 2.327 179.842 177.584 -0.115 0.000 1.186 224 A CA 1.938 53.935 52.037 -0.066 0.000 0.624 224 A CB -1.317 17.742 19.000 0.099 0.000 0.822 224 A HN 0.484 nan 8.150 nan 0.000 0.444 225 L N -0.713 120.497 121.223 -0.022 0.000 2.191 225 L HA -0.217 4.092 4.340 -0.052 0.000 0.212 225 L C 2.567 179.404 176.870 -0.055 0.000 1.103 225 L CA 1.506 56.339 54.840 -0.011 0.000 0.769 225 L CB -0.518 41.560 42.059 0.031 0.000 0.908 225 L HN 0.518 nan 8.230 nan 0.000 0.438 226 E N 0.013 120.149 120.200 -0.108 0.000 2.072 226 E HA -0.177 4.142 4.350 -0.052 0.000 0.190 226 E C 2.340 178.801 176.600 -0.231 0.000 0.982 226 E CA 0.913 57.243 56.400 -0.116 0.000 0.803 226 E CB -0.071 29.573 29.700 -0.094 0.000 0.755 226 E HN 0.469 nan 8.360 nan 0.000 0.453 227 L N 0.808 121.747 121.223 -0.473 0.000 2.083 227 L HA -0.185 4.124 4.340 -0.052 0.000 0.209 227 L C 2.486 179.164 176.870 -0.320 0.000 1.083 227 L CA 0.806 55.278 54.840 -0.612 0.000 0.752 227 L CB -0.466 41.169 42.059 -0.706 0.000 0.899 227 L HN 0.175 nan 8.230 nan 0.000 0.433 228 L N -0.197 120.901 121.223 -0.208 0.000 1.976 228 L HA -0.226 4.083 4.340 -0.052 0.000 0.209 228 L C 2.947 179.813 176.870 -0.006 0.000 1.071 228 L CA 1.892 56.674 54.840 -0.096 0.000 0.746 228 L CB -0.706 41.360 42.059 0.012 0.000 0.890 228 L HN 0.392 nan 8.230 nan 0.000 0.432 229 S N -0.056 115.652 115.700 0.014 0.000 2.399 229 S HA -0.141 4.298 4.470 -0.052 0.000 0.231 229 S C 2.093 176.722 174.600 0.048 0.000 1.022 229 S CA 0.821 59.039 58.200 0.030 0.000 0.983 229 S CB -0.476 62.740 63.200 0.027 0.000 0.803 229 S HN 0.357 nan 8.310 nan 0.000 0.480 230 A N 0.345 123.200 122.820 0.057 0.000 2.015 230 A HA 0.024 4.313 4.320 -0.052 0.000 0.219 230 A C 2.239 179.942 177.584 0.199 0.000 1.163 230 A CA 1.237 53.388 52.037 0.189 0.000 0.646 230 A CB -1.204 18.004 19.000 0.347 0.000 0.806 230 A HN 0.699 nan 8.150 nan 0.000 0.448 231 C N -1.737 117.544 119.300 -0.032 0.000 2.618 231 C HA 0.454 4.882 4.460 -0.052 0.000 0.264 231 C C 1.963 176.865 174.990 -0.148 0.000 1.334 231 C CA 0.420 59.320 59.018 -0.196 0.000 1.731 231 C CB -0.727 26.730 27.740 -0.471 0.000 1.852 231 C HN 1.012 nan 8.230 nan 0.000 0.566 232 G N -0.828 107.947 108.800 -0.042 0.000 2.168 232 G HA2 -0.230 3.699 3.960 -0.052 0.000 0.197 232 G HA3 -0.230 3.699 3.960 -0.052 0.000 0.197 232 G C -0.063 174.815 174.900 -0.037 0.000 0.997 232 G CA -0.103 44.983 45.100 -0.022 0.000 0.658 232 G HN 0.454 nan 8.290 nan 0.000 0.513 233 Y N 2.356 122.543 120.300 -0.188 0.000 2.377 233 Y HA 0.523 5.042 4.550 -0.052 0.000 0.330 233 Y C 0.052 175.895 175.900 -0.096 0.000 1.108 233 Y CA -0.945 57.058 58.100 -0.162 0.000 1.308 233 Y CB 1.098 39.449 38.460 -0.182 0.000 1.216 233 Y HN 0.089 nan 8.280 nan 0.000 0.518 234 D N 6.140 126.204 120.400 -0.561 0.000 2.393 234 D HA 0.087 4.696 4.640 -0.052 0.000 0.232 234 D C 0.297 176.193 176.300 -0.673 0.000 1.192 234 D CA -0.077 53.651 54.000 -0.454 0.000 0.882 234 D CB 0.642 41.264 40.800 -0.296 0.000 1.038 234 D HN 0.654 nan 8.370 nan 0.000 0.499 235 L N 3.243 124.205 121.223 -0.435 0.000 2.465 235 L HA 0.002 4.311 4.340 -0.052 0.000 0.224 235 L C 1.940 178.688 176.870 -0.205 0.000 1.145 235 L CA 1.025 55.685 54.840 -0.300 0.000 0.834 235 L CB -0.361 41.642 42.059 -0.092 0.000 0.944 235 L HN 0.461 nan 8.230 nan 0.000 0.451 236 E N -0.739 119.345 120.200 -0.192 0.000 2.478 236 E HA 0.138 4.457 4.350 -0.052 0.000 0.194 236 E C 1.343 177.850 176.600 -0.155 0.000 1.045 236 E CA 0.570 56.888 56.400 -0.136 0.000 0.868 236 E CB 0.166 29.803 29.700 -0.105 0.000 0.885 236 E HN 0.406 nan 8.360 nan 0.000 0.505 237 A N 0.770 123.459 122.820 -0.219 0.000 2.606 237 A HA 0.538 4.826 4.320 -0.052 0.000 0.290 237 A C 0.424 177.873 177.584 -0.226 0.000 1.174 237 A CA 0.175 52.090 52.037 -0.203 0.000 0.958 237 A CB 0.727 19.612 19.000 -0.191 0.000 1.194 237 A HN 0.204 nan 8.150 nan 0.000 0.526 238 G N -0.007 108.653 108.800 -0.233 0.000 2.490 238 G HA2 0.636 4.565 3.960 -0.052 0.000 0.308 238 G HA3 0.636 4.565 3.960 -0.052 0.000 0.308 238 G C -1.224 173.652 174.900 -0.040 0.000 1.286 238 G CA -0.198 44.822 45.100 -0.133 0.000 0.825 238 G HN 0.879 nan 8.290 nan 0.000 0.479 239 R N -1.493 119.073 120.500 0.111 0.000 2.728 239 R HA 0.674 4.983 4.340 -0.052 0.000 0.274 239 R C -2.081 174.324 176.300 0.176 0.000 1.032 239 R CA -1.008 55.169 56.100 0.127 0.000 0.866 239 R CB 1.224 31.564 30.300 0.066 0.000 1.263 239 R HN 0.687 nan 8.270 nan 0.000 0.475 240 L N 1.784 123.096 121.223 0.149 0.000 2.356 240 L HA 0.580 4.889 4.340 -0.052 0.000 0.277 240 L C -1.461 175.487 176.870 0.129 0.000 0.996 240 L CA -0.555 54.349 54.840 0.106 0.000 0.822 240 L CB 1.765 43.876 42.059 0.087 0.000 1.256 240 L HN 0.764 nan 8.230 nan 0.000 0.413 241 D N 5.553 126.018 120.400 0.108 0.000 2.645 241 D HA 0.475 5.084 4.640 -0.052 0.000 0.228 241 D C -2.666 173.661 176.300 0.045 0.000 1.148 241 D CA -1.026 53.040 54.000 0.111 0.000 0.860 241 D CB 2.814 43.706 40.800 0.152 0.000 1.548 241 D HN 0.284 nan 8.370 nan 0.000 0.460 242 P HA 0.217 nan 4.420 nan 0.000 0.276 242 P C -0.371 176.917 177.300 -0.020 0.000 1.244 242 P CA -0.071 63.050 63.100 0.036 0.000 0.801 242 P CB 1.555 33.336 31.700 0.134 0.000 1.006 243 T N -0.986 113.540 114.554 -0.047 0.000 2.749 243 T HA 0.489 4.808 4.350 -0.052 0.000 0.310 243 T C 0.808 175.455 174.700 -0.088 0.000 1.496 243 T CA 0.153 62.240 62.100 -0.022 0.000 1.006 243 T CB 0.667 69.598 68.868 0.104 0.000 1.457 243 T HN 0.225 nan 8.240 nan 0.000 0.497 244 A N 0.901 123.628 122.820 -0.154 0.000 1.929 244 A HA 0.180 4.468 4.320 -0.052 0.000 0.216 244 A C 0.532 177.767 177.584 -0.582 0.000 1.176 244 A CA 1.054 52.846 52.037 -0.410 0.000 0.628 244 A CB -0.269 18.404 19.000 -0.544 0.000 0.816 244 A HN 0.761 nan 8.150 nan 0.000 0.444 245 H N -0.412 118.730 119.070 0.120 0.000 3.092 245 H HA 0.282 4.807 4.556 -0.052 0.000 0.308 245 H C -2.919 172.551 175.328 0.236 0.000 1.047 245 H CA -2.450 53.689 56.048 0.151 0.000 1.466 245 H CB 0.454 30.298 29.762 0.135 0.000 1.597 245 H HN 0.224 nan 8.280 nan 0.000 0.512 246 P HA -0.049 nan 4.420 nan 0.000 0.264 246 P C -0.372 177.132 177.300 0.341 0.000 1.179 246 P CA 0.603 63.816 63.100 0.189 0.000 0.763 246 P CB 0.483 32.225 31.700 0.070 0.000 0.806 247 F N -0.681 119.330 119.950 0.100 0.000 2.877 247 F HA 0.734 5.232 4.527 -0.050 0.000 0.319 247 F C -1.387 174.478 175.800 0.108 0.000 1.174 247 F CA -1.377 56.685 58.000 0.104 0.000 0.903 247 F CB 1.286 40.331 39.000 0.075 0.000 1.357 247 F HN 0.328 nan 8.300 nan 0.000 0.472 248 E N 1.297 121.565 120.200 0.114 0.000 2.340 248 E HA 0.709 5.028 4.350 -0.052 0.000 0.273 248 E C -2.114 174.608 176.600 0.203 0.000 0.891 248 E CA -0.832 55.574 56.400 0.010 0.000 0.757 248 E CB 2.634 32.371 29.700 0.061 0.000 1.231 248 E HN 0.964 nan 8.360 nan 0.000 0.439 249 I N 1.752 122.440 120.570 0.196 0.000 2.644 249 I HA 0.688 4.827 4.170 -0.052 0.000 0.291 249 I C -1.667 174.534 176.117 0.141 0.000 1.180 249 I CA -0.647 60.796 61.300 0.239 0.000 1.040 249 I CB 2.130 40.393 38.000 0.439 0.000 1.255 249 I HN 0.824 nan 8.210 nan 0.000 0.422 250 A N 7.410 130.303 122.820 0.121 0.000 2.252 250 A HA 0.527 4.816 4.320 -0.052 0.000 0.309 250 A C 0.694 178.340 177.584 0.104 0.000 1.285 250 A CA -0.444 51.653 52.037 0.100 0.000 0.900 250 A CB 0.029 19.104 19.000 0.125 0.000 1.157 250 A HN 0.667 nan 8.150 nan 0.000 0.536 251 I N 1.766 122.352 120.570 0.026 0.000 2.400 251 I HA 0.155 4.294 4.170 -0.052 0.000 0.248 251 I C 1.346 177.452 176.117 -0.017 0.000 1.109 251 I CA 1.628 62.930 61.300 0.003 0.000 1.425 251 I CB -1.485 36.455 38.000 -0.101 0.000 1.094 251 I HN 0.743 nan 8.210 nan 0.000 0.425 252 G N 0.555 109.290 108.800 -0.108 0.000 2.320 252 G HA2 0.298 4.227 3.960 -0.052 0.000 0.296 252 G HA3 0.298 4.227 3.960 -0.052 0.000 0.296 252 G C -3.014 171.682 174.900 -0.341 0.000 1.306 252 G CA -0.683 44.178 45.100 -0.398 0.000 0.836 252 G HN -0.214 nan 8.290 nan 0.000 0.517 253 P HA 0.271 nan 4.420 nan 0.000 0.262 253 P C 1.060 178.245 177.300 -0.190 0.000 1.182 253 P CA 1.832 64.791 63.100 -0.235 0.000 0.761 253 P CB 0.844 32.408 31.700 -0.225 0.000 0.795 254 G N 1.843 110.565 108.800 -0.130 0.000 2.184 254 G HA2 -0.219 3.709 3.960 -0.052 0.000 0.264 254 G HA3 -0.219 3.709 3.960 -0.052 0.000 0.264 254 G C -0.036 174.779 174.900 -0.142 0.000 0.975 254 G CA 0.354 45.376 45.100 -0.129 0.000 0.642 254 G HN 0.692 nan 8.290 nan 0.000 0.536 255 D N 0.031 120.346 120.400 -0.141 0.000 2.472 255 D HA 0.461 5.070 4.640 -0.052 0.000 0.248 255 D C -0.578 175.657 176.300 -0.109 0.000 1.271 255 D CA -0.226 53.686 54.000 -0.148 0.000 0.888 255 D CB 0.923 41.617 40.800 -0.177 0.000 1.337 255 D HN 0.227 nan 8.370 nan 0.000 0.526 256 V N 4.101 123.974 119.914 -0.068 0.000 2.407 256 V HA 0.543 4.632 4.120 -0.052 0.000 0.291 256 V C 0.283 176.410 176.094 0.056 0.000 1.018 256 V CA -0.705 61.604 62.300 0.014 0.000 0.842 256 V CB 1.651 33.519 31.823 0.076 0.000 0.996 256 V HN 0.232 nan 8.190 nan 0.000 0.426 257 R N 5.114 125.620 120.500 0.010 0.000 2.732 257 R HA 0.840 5.149 4.340 -0.052 0.000 0.278 257 R C -0.708 175.607 176.300 0.024 0.000 0.976 257 R CA -0.725 55.389 56.100 0.022 0.000 0.963 257 R CB 2.410 32.613 30.300 -0.163 0.000 1.150 257 R HN 0.799 nan 8.270 nan 0.000 0.478 258 I N -2.251 118.317 120.570 -0.004 0.000 3.042 258 I HA 0.724 4.863 4.170 -0.052 0.000 0.310 258 I C -0.529 175.478 176.117 -0.183 0.000 1.117 258 I CA -0.877 60.331 61.300 -0.153 0.000 1.003 258 I CB 2.691 40.568 38.000 -0.204 0.000 1.228 258 I HN 0.692 nan 8.210 nan 0.000 0.443 259 T N -0.846 113.528 114.554 -0.300 0.000 2.868 259 T HA 0.712 5.031 4.350 -0.052 0.000 0.306 259 T C -0.592 173.989 174.700 -0.199 0.000 1.224 259 T CA -0.604 61.346 62.100 -0.250 0.000 1.012 259 T CB 2.013 70.653 68.868 -0.380 0.000 1.221 259 T HN 0.978 nan 8.240 nan 0.000 0.499 260 T N -0.293 114.129 114.554 -0.220 0.000 2.681 260 T HA 0.703 5.022 4.350 -0.052 0.000 0.296 260 T C -1.795 172.684 174.700 -0.367 0.000 1.157 260 T CA -0.915 61.006 62.100 -0.297 0.000 1.025 260 T CB 1.829 70.426 68.868 -0.451 0.000 1.441 260 T HN 0.883 nan 8.240 nan 0.000 0.504 261 R N 1.516 121.764 120.500 -0.421 0.000 2.510 261 R HA 0.460 4.769 4.340 -0.052 0.000 0.294 261 R C -1.775 174.309 176.300 -0.361 0.000 1.056 261 R CA -0.503 55.394 56.100 -0.339 0.000 0.918 261 R CB 0.805 31.013 30.300 -0.154 0.000 1.187 261 R HN 0.640 nan 8.270 nan 0.000 0.437 262 Y N 2.964 123.178 120.300 -0.143 0.000 2.352 262 Y HA 0.385 4.904 4.550 -0.052 0.000 0.326 262 Y C -0.537 175.243 175.900 -0.200 0.000 1.166 262 Y CA -0.574 57.477 58.100 -0.082 0.000 1.182 262 Y CB 1.023 39.466 38.460 -0.028 0.000 1.216 262 Y HN 0.368 nan 8.280 nan 0.000 0.474 263 Y N 0.719 121.141 120.300 0.204 0.000 2.326 263 Y HA 0.245 4.763 4.550 -0.054 0.000 0.331 263 Y C 0.948 176.978 175.900 0.217 0.000 0.962 263 Y CA -1.069 57.153 58.100 0.203 0.000 1.167 263 Y CB 1.429 40.041 38.460 0.254 0.000 1.148 263 Y HN 0.692 nan 8.280 nan 0.000 0.463 264 E N 0.964 121.344 120.200 0.299 0.000 2.219 264 E HA -0.224 4.095 4.350 -0.052 0.000 0.198 264 E C 0.353 177.147 176.600 0.323 0.000 0.998 264 E CA 1.639 58.196 56.400 0.261 0.000 0.818 264 E CB 0.122 29.930 29.700 0.179 0.000 0.741 264 E HN 0.713 nan 8.360 nan 0.000 0.477 265 D N -0.868 119.752 120.400 0.366 0.000 2.501 265 D HA 0.032 4.641 4.640 -0.052 0.000 0.226 265 D C -0.436 176.146 176.300 0.469 0.000 1.198 265 D CA -0.405 53.821 54.000 0.377 0.000 0.830 265 D CB -0.463 40.510 40.800 0.289 0.000 1.014 265 D HN 0.120 nan 8.370 nan 0.000 0.496 266 F N 0.673 120.754 119.950 0.218 0.000 3.051 266 F HA 0.225 4.720 4.527 -0.053 0.000 0.363 266 F C -0.070 175.710 175.800 -0.032 0.000 1.257 266 F CA -1.314 56.687 58.000 0.002 0.000 1.126 266 F CB 0.864 39.809 39.000 -0.093 0.000 1.476 266 F HN -0.180 nan 8.300 nan 0.000 0.576 267 F N 4.447 124.115 119.950 -0.469 0.000 2.043 267 F HA -0.284 4.212 4.527 -0.052 0.000 0.297 267 F C 1.645 177.104 175.800 -0.569 0.000 1.121 267 F CA 2.441 59.982 58.000 -0.766 0.000 1.199 267 F CB -0.185 38.208 39.000 -1.012 0.000 0.968 267 F HN 0.501 nan 8.300 nan 0.000 0.478 268 N N 0.871 119.228 118.700 -0.570 0.000 2.027 268 N HA -0.294 4.415 4.740 -0.052 0.000 0.200 268 N C 2.003 177.310 175.510 -0.337 0.000 1.042 268 N CA 2.124 54.985 53.050 -0.315 0.000 0.871 268 N CB -1.261 36.934 38.487 -0.486 0.000 1.063 268 N HN 0.461 nan 8.380 nan 0.000 0.438 269 A N 0.174 122.635 122.820 -0.597 0.000 1.881 269 A HA -0.179 4.110 4.320 -0.052 0.000 0.219 269 A C 2.430 179.944 177.584 -0.117 0.000 1.215 269 A CA 2.550 54.483 52.037 -0.173 0.000 0.648 269 A CB -1.541 17.504 19.000 0.076 0.000 0.832 269 A HN 0.435 nan 8.150 nan 0.000 0.455 270 G N -0.727 107.979 108.800 -0.157 0.000 2.402 270 G HA2 -0.078 3.851 3.960 -0.052 0.000 0.216 270 G HA3 -0.078 3.851 3.960 -0.052 0.000 0.216 270 G C 1.388 176.143 174.900 -0.241 0.000 1.162 270 G CA 1.149 46.108 45.100 -0.234 0.000 0.777 270 G HN 0.382 nan 8.290 nan 0.000 0.539 271 I N 0.122 120.482 120.570 -0.351 0.000 2.206 271 I HA 0.090 4.228 4.170 -0.052 0.000 0.239 271 I C 2.494 178.401 176.117 -0.349 0.000 1.078 271 I CA 0.696 61.754 61.300 -0.405 0.000 1.367 271 I CB -1.435 36.108 38.000 -0.762 0.000 1.078 271 I HN 0.110 nan 8.210 nan 0.000 0.413 272 F N 1.139 121.055 119.950 -0.057 0.000 2.502 272 F HA 0.029 4.525 4.527 -0.053 0.000 0.298 272 F C 2.516 178.316 175.800 -0.001 0.000 1.111 272 F CA 0.821 58.829 58.000 0.012 0.000 1.445 272 F CB -0.774 38.246 39.000 0.034 0.000 1.081 272 F HN 0.071 nan 8.300 nan 0.000 0.558 273 G N -0.488 108.350 108.800 0.064 0.000 2.402 273 G HA2 -0.182 3.747 3.960 -0.052 0.000 0.216 273 G HA3 -0.182 3.747 3.960 -0.052 0.000 0.216 273 G C 1.730 176.638 174.900 0.013 0.000 1.162 273 G CA 1.309 46.425 45.100 0.027 0.000 0.777 273 G HN 0.235 nan 8.290 nan 0.000 0.539 274 T N 1.547 116.054 114.554 -0.079 0.000 2.708 274 T HA -0.047 4.272 4.350 -0.052 0.000 0.266 274 T C 2.435 177.079 174.700 -0.093 0.000 1.037 274 T CA 0.942 62.973 62.100 -0.116 0.000 1.146 274 T CB -0.247 68.532 68.868 -0.149 0.000 0.865 274 T HN 0.134 nan 8.240 nan 0.000 0.435 275 L N -0.021 121.165 121.223 -0.061 0.000 2.083 275 L HA -0.140 4.169 4.340 -0.052 0.000 0.209 275 L C 2.520 179.418 176.870 0.047 0.000 1.083 275 L CA 1.628 56.443 54.840 -0.042 0.000 0.752 275 L CB -0.605 41.439 42.059 -0.025 0.000 0.899 275 L HN 0.389 nan 8.230 nan 0.000 0.433 276 H N 0.258 119.348 119.070 0.034 0.000 2.290 276 H HA -0.170 4.355 4.556 -0.051 0.000 0.298 276 H C 2.205 177.574 175.328 0.068 0.000 1.087 276 H CA 1.836 57.923 56.048 0.065 0.000 1.291 276 H CB 0.275 30.096 29.762 0.099 0.000 1.369 276 H HN 0.166 nan 8.280 nan 0.000 0.492 277 E N 0.268 120.612 120.200 0.240 0.000 2.204 277 E HA -0.181 4.138 4.350 -0.052 0.000 0.194 277 E C 2.355 178.967 176.600 0.021 0.000 0.989 277 E CA 0.920 57.447 56.400 0.211 0.000 0.824 277 E CB -0.327 29.428 29.700 0.091 0.000 0.756 277 E HN 0.631 nan 8.360 nan 0.000 0.477 278 M N 0.436 119.953 119.600 -0.139 0.000 2.117 278 M HA -0.100 4.349 4.480 -0.052 0.000 0.262 278 M C 2.139 178.315 176.300 -0.207 0.000 1.065 278 M CA 2.057 57.165 55.300 -0.319 0.000 1.114 278 M CB -0.373 31.986 32.600 -0.402 0.000 1.361 278 M HN 0.107 nan 8.290 nan 0.000 0.408 279 G N -0.382 108.352 108.800 -0.109 0.000 2.469 279 G HA2 -0.270 3.659 3.960 -0.052 0.000 0.219 279 G HA3 -0.270 3.659 3.960 -0.052 0.000 0.219 279 G C 1.263 176.204 174.900 0.068 0.000 1.150 279 G CA 1.064 46.180 45.100 0.026 0.000 0.763 279 G HN 0.538 nan 8.290 nan 0.000 0.561 280 H N 0.749 119.892 119.070 0.122 0.000 2.321 280 H HA 0.002 4.527 4.556 -0.052 0.000 0.300 280 H C 2.964 178.428 175.328 0.226 0.000 1.087 280 H CA 1.389 57.609 56.048 0.287 0.000 1.319 280 H CB -0.528 29.380 29.762 0.244 0.000 1.379 280 H HN 0.385 nan 8.280 nan 0.000 0.501 281 A N 0.997 123.953 122.820 0.227 0.000 1.930 281 A HA -0.083 4.206 4.320 -0.052 0.000 0.217 281 A C 2.736 180.406 177.584 0.144 0.000 1.175 281 A CA 0.846 52.987 52.037 0.173 0.000 0.627 281 A CB -0.802 18.273 19.000 0.125 0.000 0.815 281 A HN 0.279 nan 8.150 nan 0.000 0.443 282 L N -1.643 119.615 121.223 0.058 0.000 2.083 282 L HA -0.197 4.112 4.340 -0.052 0.000 0.209 282 L C 2.627 179.511 176.870 0.024 0.000 1.083 282 L CA 1.481 56.339 54.840 0.030 0.000 0.752 282 L CB -0.632 41.346 42.059 -0.134 0.000 0.899 282 L HN 0.570 nan 8.230 nan 0.000 0.433 283 Y N 1.428 121.542 120.300 -0.310 0.000 2.089 283 Y HA -0.239 4.280 4.550 -0.052 0.000 0.282 283 Y C 2.605 178.254 175.900 -0.419 0.000 1.139 283 Y CA 1.466 59.058 58.100 -0.846 0.000 1.123 283 Y CB -0.422 37.629 38.460 -0.682 0.000 0.980 283 Y HN 0.180 nan 8.280 nan 0.000 0.493 284 E N 0.450 120.587 120.200 -0.106 0.000 2.085 284 E HA -0.245 4.074 4.350 -0.052 0.000 0.194 284 E C 2.057 178.661 176.600 0.006 0.000 0.994 284 E CA 1.580 57.930 56.400 -0.084 0.000 0.801 284 E CB -0.399 29.323 29.700 0.036 0.000 0.743 284 E HN 0.687 nan 8.360 nan 0.000 0.453 285 Q N -0.604 119.221 119.800 0.042 0.000 2.437 285 Q HA -0.031 4.278 4.340 -0.052 0.000 0.210 285 Q C 1.857 177.899 176.000 0.070 0.000 0.972 285 Q CA 0.998 56.826 55.803 0.042 0.000 0.903 285 Q CB 0.051 28.806 28.738 0.029 0.000 0.967 285 Q HN 0.232 nan 8.270 nan 0.000 0.486 286 G N -0.063 108.808 108.800 0.117 0.000 2.986 286 G HA2 0.147 4.075 3.960 -0.052 0.000 0.213 286 G HA3 0.147 4.075 3.960 -0.052 0.000 0.213 286 G C 0.509 175.526 174.900 0.195 0.000 1.156 286 G CA -0.325 44.901 45.100 0.210 0.000 0.763 286 G HN 0.065 nan 8.290 nan 0.000 0.547 287 L N 2.063 123.366 121.223 0.133 0.000 2.483 287 L HA 0.202 4.510 4.340 -0.052 0.000 0.276 287 L C -1.555 175.386 176.870 0.119 0.000 1.213 287 L CA -1.501 53.411 54.840 0.120 0.000 0.843 287 L CB 0.579 42.663 42.059 0.042 0.000 1.107 287 L HN 0.005 nan 8.230 nan 0.000 0.487 288 P HA 0.032 nan 4.420 nan 0.000 0.264 288 P C -0.290 177.075 177.300 0.109 0.000 1.236 288 P CA -0.027 63.150 63.100 0.128 0.000 0.811 288 P CB 0.489 32.330 31.700 0.234 0.000 0.840 289 K N 2.772 123.213 120.400 0.068 0.000 2.152 289 K HA -0.173 4.116 4.320 -0.052 0.000 0.206 289 K C 1.873 178.501 176.600 0.047 0.000 1.048 289 K CA 1.446 57.776 56.287 0.073 0.000 0.933 289 K CB 0.022 32.533 32.500 0.018 0.000 0.721 289 K HN 0.566 nan 8.250 nan 0.000 0.447 290 E N 0.683 120.834 120.200 -0.082 0.000 2.268 290 E HA -0.198 4.121 4.350 -0.052 0.000 0.195 290 E C 0.803 177.269 176.600 -0.223 0.000 0.995 290 E CA 1.236 57.522 56.400 -0.191 0.000 0.836 290 E CB -0.160 29.332 29.700 -0.348 0.000 0.763 290 E HN 0.498 nan 8.360 nan 0.000 0.491 291 H N -0.827 118.300 119.070 0.096 0.000 2.505 291 H HA 0.116 4.641 4.556 -0.052 0.000 0.289 291 H C -0.386 174.981 175.328 0.065 0.000 1.052 291 H CA -0.621 55.465 56.048 0.064 0.000 1.156 291 H CB -0.806 28.961 29.762 0.008 0.000 1.507 291 H HN 0.181 nan 8.280 nan 0.000 0.548 292 W N 1.680 122.998 121.300 0.029 0.000 2.170 292 W HA 0.257 4.886 4.660 -0.053 0.000 0.342 292 W C 1.166 177.652 176.519 -0.055 0.000 1.294 292 W CA 2.096 59.425 57.345 -0.027 0.000 1.246 292 W CB 0.538 29.957 29.460 -0.068 0.000 1.156 292 W HN 0.456 nan 8.180 nan 0.000 0.572 293 G N 2.433 110.460 108.800 -1.288 0.000 2.143 293 G HA2 -0.235 3.693 3.960 -0.052 0.000 0.248 293 G HA3 -0.235 3.693 3.960 -0.052 0.000 0.248 293 G C -0.080 174.599 174.900 -0.368 0.000 0.991 293 G CA 0.263 44.691 45.100 -1.120 0.000 0.689 293 G HN 0.710 nan 8.290 nan 0.000 0.522 294 T N -0.281 114.115 114.554 -0.264 0.000 2.916 294 T HA 0.552 4.870 4.350 -0.052 0.000 0.298 294 T C -1.360 173.221 174.700 -0.199 0.000 1.031 294 T CA -0.750 61.294 62.100 -0.093 0.000 0.993 294 T CB 2.703 71.569 68.868 -0.003 0.000 1.045 294 T HN -0.142 nan 8.240 nan 0.000 0.454 295 P HA -0.171 nan 4.420 nan 0.000 0.216 295 P C 1.582 178.733 177.300 -0.247 0.000 1.154 295 P CA 0.917 63.844 63.100 -0.288 0.000 0.865 295 P CB 0.247 31.680 31.700 -0.446 0.000 0.789 296 R N 0.003 120.331 120.500 -0.288 0.000 2.159 296 R HA -0.068 4.241 4.340 -0.052 0.000 0.237 296 R C 1.853 178.050 176.300 -0.172 0.000 1.131 296 R CA 2.034 57.967 56.100 -0.279 0.000 0.982 296 R CB -1.436 28.622 30.300 -0.404 0.000 0.868 296 R HN 0.201 nan 8.270 nan 0.000 0.453 297 G N -0.814 107.924 108.800 -0.103 0.000 3.393 297 G HA2 0.093 4.022 3.960 -0.052 0.000 0.255 297 G HA3 0.093 4.022 3.960 -0.052 0.000 0.255 297 G C -0.712 174.135 174.900 -0.089 0.000 1.097 297 G CA -0.365 44.723 45.100 -0.020 0.000 0.780 297 G HN 0.197 nan 8.290 nan 0.000 0.540 298 D N 0.833 121.156 120.400 -0.129 0.000 2.253 298 D HA 0.509 5.118 4.640 -0.052 0.000 0.249 298 D C 0.466 176.707 176.300 -0.099 0.000 1.049 298 D CA -0.199 53.719 54.000 -0.137 0.000 0.929 298 D CB 1.852 42.570 40.800 -0.137 0.000 1.176 298 D HN 0.127 nan 8.370 nan 0.000 0.437 299 A N 1.086 123.817 122.820 -0.149 0.000 2.511 299 A HA 0.077 4.366 4.320 -0.052 0.000 0.242 299 A C 1.379 178.997 177.584 0.056 0.000 1.069 299 A CA -0.321 51.601 52.037 -0.193 0.000 0.763 299 A CB 0.579 19.383 19.000 -0.326 0.000 1.001 299 A HN 0.446 nan 8.150 nan 0.000 0.498 300 V N 2.321 122.354 119.914 0.199 0.000 2.358 300 V HA 0.042 4.131 4.120 -0.052 0.000 0.246 300 V C 1.054 177.258 176.094 0.183 0.000 1.047 300 V CA 2.556 64.962 62.300 0.176 0.000 1.035 300 V CB -0.309 31.634 31.823 0.200 0.000 0.658 300 V HN 1.527 nan 8.190 nan 0.000 0.452 301 S N -3.192 112.662 115.700 0.256 0.000 2.615 301 S HA 0.353 4.792 4.470 -0.052 0.000 0.268 301 S C -0.044 174.726 174.600 0.282 0.000 1.146 301 S CA -0.352 57.987 58.200 0.232 0.000 0.818 301 S CB 1.017 64.350 63.200 0.221 0.000 1.111 301 S HN 0.046 nan 8.310 nan 0.000 0.465 302 L N 1.012 122.340 121.223 0.174 0.000 2.141 302 L HA 0.123 4.432 4.340 -0.052 0.000 0.209 302 L C 2.679 179.632 176.870 0.138 0.000 1.094 302 L CA 1.661 56.558 54.840 0.095 0.000 0.763 302 L CB -1.049 40.883 42.059 -0.213 0.000 0.908 302 L HN 0.997 nan 8.230 nan 0.000 0.437 303 G N -0.329 108.558 108.800 0.146 0.000 2.421 303 G HA2 -0.190 3.738 3.960 -0.052 0.000 0.216 303 G HA3 -0.190 3.738 3.960 -0.052 0.000 0.216 303 G C 1.578 176.679 174.900 0.335 0.000 1.171 303 G CA 0.820 46.011 45.100 0.153 0.000 0.775 303 G HN 0.170 nan 8.290 nan 0.000 0.543 304 V N 0.155 120.334 119.914 0.441 0.000 2.427 304 V HA -0.149 3.939 4.120 -0.052 0.000 0.248 304 V C 2.497 178.800 176.094 0.348 0.000 1.051 304 V CA 1.709 64.272 62.300 0.439 0.000 1.048 304 V CB -0.548 31.481 31.823 0.344 0.000 0.666 304 V HN 0.426 nan 8.190 nan 0.000 0.456 305 H N 0.216 119.526 119.070 0.400 0.000 2.321 305 H HA -0.158 4.367 4.556 -0.051 0.000 0.300 305 H C 2.397 177.911 175.328 0.309 0.000 1.087 305 H CA 2.146 58.492 56.048 0.497 0.000 1.319 305 H CB 0.122 30.151 29.762 0.445 0.000 1.379 305 H HN 0.466 nan 8.280 nan 0.000 0.501 306 E N 0.521 120.961 120.200 0.401 0.000 2.204 306 E HA -0.113 4.206 4.350 -0.052 0.000 0.194 306 E C 2.359 179.022 176.600 0.104 0.000 0.989 306 E CA 1.219 57.744 56.400 0.208 0.000 0.824 306 E CB -0.121 29.690 29.700 0.185 0.000 0.756 306 E HN 0.444 nan 8.360 nan 0.000 0.477 307 S N -0.488 115.329 115.700 0.194 0.000 2.402 307 S HA -0.170 4.269 4.470 -0.052 0.000 0.229 307 S C 1.811 176.517 174.600 0.177 0.000 1.021 307 S CA 0.752 59.089 58.200 0.229 0.000 0.974 307 S CB -0.242 63.240 63.200 0.469 0.000 0.800 307 S HN 0.163 nan 8.310 nan 0.000 0.484 308 Q N 1.783 121.661 119.800 0.129 0.000 2.083 308 Q HA -0.000 4.308 4.340 -0.052 0.000 0.198 308 Q C 2.767 178.829 176.000 0.104 0.000 0.969 308 Q CA 1.757 57.643 55.803 0.140 0.000 0.838 308 Q CB -0.913 27.871 28.738 0.076 0.000 0.900 308 Q HN 0.839 nan 8.270 nan 0.000 0.436 309 S N 0.624 116.210 115.700 -0.190 0.000 2.368 309 S HA -0.067 4.372 4.470 -0.052 0.000 0.224 309 S C 1.813 176.231 174.600 -0.303 0.000 1.029 309 S CA 0.543 58.455 58.200 -0.481 0.000 0.988 309 S CB -0.089 62.319 63.200 -1.321 0.000 0.838 309 S HN 0.171 nan 8.310 nan 0.000 0.462 310 R N 1.098 121.487 120.500 -0.186 0.000 2.189 310 R HA 0.097 4.406 4.340 -0.052 0.000 0.218 310 R C 2.294 178.566 176.300 -0.045 0.000 1.074 310 R CA 1.263 57.323 56.100 -0.067 0.000 0.991 310 R CB -1.642 28.644 30.300 -0.024 0.000 0.883 310 R HN 0.511 nan 8.270 nan 0.000 0.457 311 T N -0.110 114.431 114.554 -0.021 0.000 2.708 311 T HA -0.148 4.171 4.350 -0.052 0.000 0.266 311 T C 1.449 176.010 174.700 -0.231 0.000 1.037 311 T CA 1.363 63.402 62.100 -0.101 0.000 1.146 311 T CB -0.172 68.696 68.868 0.000 0.000 0.865 311 T HN 0.400 nan 8.240 nan 0.000 0.435 312 W N 1.382 122.673 121.300 -0.015 0.000 2.518 312 W HA 0.167 4.795 4.660 -0.053 0.000 0.273 312 W C 2.494 178.919 176.519 -0.158 0.000 1.247 312 W CA 0.100 57.392 57.345 -0.087 0.000 1.288 312 W CB -0.056 29.354 29.460 -0.084 0.000 1.107 312 W HN 0.307 nan 8.180 nan 0.000 0.586 313 E N 0.423 120.680 120.200 0.095 0.000 2.028 313 E HA -0.181 4.138 4.350 -0.052 0.000 0.190 313 E C 1.526 178.180 176.600 0.090 0.000 0.984 313 E CA 1.354 57.831 56.400 0.128 0.000 0.800 313 E CB -0.005 29.811 29.700 0.194 0.000 0.758 313 E HN 0.223 nan 8.360 nan 0.000 0.448 314 N N 0.130 118.838 118.700 0.013 0.000 2.517 314 N HA 0.021 4.730 4.740 -0.052 0.000 0.202 314 N C 2.153 177.627 175.510 -0.060 0.000 1.042 314 N CA 0.377 53.432 53.050 0.010 0.000 0.952 314 N CB -0.548 37.971 38.487 0.053 0.000 1.211 314 N HN 0.105 nan 8.380 nan 0.000 0.458 315 L N 1.010 122.097 121.223 -0.226 0.000 2.081 315 L HA -0.131 4.178 4.340 -0.052 0.000 0.212 315 L C 2.014 178.667 176.870 -0.363 0.000 1.080 315 L CA 1.196 55.739 54.840 -0.496 0.000 0.754 315 L CB -0.419 41.096 42.059 -0.907 0.000 0.893 315 L HN -0.005 nan 8.230 nan 0.000 0.433 316 V N -0.824 118.882 119.914 -0.346 0.000 2.599 316 V HA 0.083 4.171 4.120 -0.052 0.000 0.237 316 V C 2.531 178.361 176.094 -0.441 0.000 1.081 316 V CA 1.278 63.340 62.300 -0.397 0.000 1.107 316 V CB -0.782 30.656 31.823 -0.642 0.000 0.808 316 V HN 0.411 nan 8.190 nan 0.000 0.486 317 G N 0.314 108.777 108.800 -0.562 0.000 2.450 317 G HA2 -0.227 3.701 3.960 -0.052 0.000 0.220 317 G HA3 -0.227 3.701 3.960 -0.052 0.000 0.220 317 G C 1.543 176.415 174.900 -0.048 0.000 1.130 317 G CA 0.645 45.253 45.100 -0.820 0.000 0.760 317 G HN 0.461 nan 8.290 nan 0.000 0.557 318 R N 0.247 120.866 120.500 0.199 0.000 2.468 318 R HA 0.208 4.516 4.340 -0.052 0.000 0.280 318 R C 0.752 177.363 176.300 0.518 0.000 0.963 318 R CA 0.153 56.523 56.100 0.450 0.000 1.083 318 R CB 0.588 30.975 30.300 0.145 0.000 1.200 318 R HN 0.381 nan 8.270 nan 0.000 0.541 319 S N -0.465 115.515 115.700 0.467 0.000 2.614 319 S HA 0.121 4.559 4.470 -0.052 0.000 0.265 319 S C 1.191 176.169 174.600 0.630 0.000 1.303 319 S CA -0.749 57.757 58.200 0.509 0.000 1.000 319 S CB 1.316 64.770 63.200 0.423 0.000 0.935 319 S HN 0.168 nan 8.310 nan 0.000 0.551 320 L N 1.344 122.749 121.223 0.303 0.000 2.056 320 L HA 0.048 4.357 4.340 -0.052 0.000 0.207 320 L C 2.451 179.456 176.870 0.225 0.000 1.078 320 L CA 1.939 56.753 54.840 -0.043 0.000 0.749 320 L CB -1.356 40.561 42.059 -0.237 0.000 0.901 320 L HN 1.014 nan 8.230 nan 0.000 0.433 321 G N -0.598 108.371 108.800 0.282 0.000 2.422 321 G HA2 -0.366 3.563 3.960 -0.052 0.000 0.218 321 G HA3 -0.366 3.563 3.960 -0.052 0.000 0.218 321 G C 1.443 176.570 174.900 0.378 0.000 1.146 321 G CA 0.781 46.061 45.100 0.300 0.000 0.769 321 G HN 0.431 nan 8.290 nan 0.000 0.547 322 F N 0.069 120.213 119.950 0.325 0.000 2.134 322 F HA -0.045 4.451 4.527 -0.052 0.000 0.299 322 F C 2.239 178.108 175.800 0.116 0.000 1.097 322 F CA 1.475 59.612 58.000 0.229 0.000 1.264 322 F CB -0.141 38.884 39.000 0.043 0.000 1.001 322 F HN 0.229 nan 8.300 nan 0.000 0.479 323 W N 0.734 122.411 121.300 0.628 0.000 2.584 323 W HA 0.023 4.651 4.660 -0.053 0.000 0.264 323 W C 2.237 178.964 176.519 0.347 0.000 1.264 323 W CA 0.699 58.374 57.345 0.550 0.000 1.306 323 W CB -0.281 29.575 29.460 0.660 0.000 1.110 323 W HN 0.017 nan 8.180 nan 0.000 0.606 324 E N 0.269 120.691 120.200 0.370 0.000 2.150 324 E HA -0.230 4.089 4.350 -0.052 0.000 0.193 324 E C 2.079 178.757 176.600 0.129 0.000 0.985 324 E CA 1.023 57.560 56.400 0.229 0.000 0.814 324 E CB -0.106 29.672 29.700 0.129 0.000 0.752 324 E HN 0.042 nan 8.360 nan 0.000 0.466 325 R N 0.399 120.896 120.500 -0.005 0.000 2.073 325 R HA -0.059 4.250 4.340 -0.052 0.000 0.229 325 R C 1.315 177.353 176.300 -0.436 0.000 1.120 325 R CA 1.500 57.415 56.100 -0.308 0.000 0.967 325 R CB -0.291 29.683 30.300 -0.544 0.000 0.862 325 R HN 0.125 nan 8.270 nan 0.000 0.436 326 F N -1.357 118.579 119.950 -0.023 0.000 2.720 326 F HA 0.225 4.721 4.527 -0.051 0.000 0.301 326 F C 1.280 177.341 175.800 0.435 0.000 1.103 326 F CA -0.422 57.625 58.000 0.078 0.000 1.291 326 F CB -0.045 38.785 39.000 -0.282 0.000 1.086 326 F HN -0.044 nan 8.300 nan 0.000 0.592 327 F N 3.675 123.968 119.950 0.572 0.000 2.134 327 F HA -0.068 4.428 4.527 -0.052 0.000 0.299 327 F C -0.526 175.401 175.800 0.211 0.000 1.097 327 F CA 0.880 59.138 58.000 0.430 0.000 1.264 327 F CB -1.585 37.614 39.000 0.330 0.000 1.001 327 F HN -0.176 nan 8.300 nan 0.000 0.479 328 P HA -0.238 nan 4.420 nan 0.000 0.216 328 P C 1.463 178.729 177.300 -0.057 0.000 1.150 328 P CA 1.663 64.744 63.100 -0.032 0.000 0.837 328 P CB -0.152 31.584 31.700 0.059 0.000 0.786 329 R N 0.726 121.283 120.500 0.095 0.000 2.066 329 R HA -0.013 4.296 4.340 -0.052 0.000 0.232 329 R C 2.434 178.747 176.300 0.022 0.000 1.131 329 R CA 1.874 58.066 56.100 0.154 0.000 0.955 329 R CB -1.589 28.960 30.300 0.414 0.000 0.851 329 R HN 0.066 nan 8.270 nan 0.000 0.432 330 A N 0.825 123.648 122.820 0.004 0.000 1.908 330 A HA -0.213 4.075 4.320 -0.052 0.000 0.218 330 A C 2.233 179.629 177.584 -0.313 0.000 1.181 330 A CA 1.764 53.633 52.037 -0.280 0.000 0.627 330 A CB -0.710 18.175 19.000 -0.192 0.000 0.818 330 A HN 0.433 nan 8.150 nan 0.000 0.445 331 R N -0.059 120.110 120.500 -0.552 0.000 2.117 331 R HA -0.201 4.107 4.340 -0.052 0.000 0.243 331 R C 1.839 177.993 176.300 -0.244 0.000 1.143 331 R CA 2.012 57.809 56.100 -0.504 0.000 0.968 331 R CB -0.281 29.662 30.300 -0.595 0.000 0.863 331 R HN 0.691 nan 8.270 nan 0.000 0.444 332 E N -0.560 119.520 120.200 -0.201 0.000 2.158 332 E HA -0.079 4.240 4.350 -0.052 0.000 0.191 332 E C 1.887 178.373 176.600 -0.191 0.000 0.982 332 E CA 0.970 57.283 56.400 -0.145 0.000 0.823 332 E CB 0.307 29.952 29.700 -0.092 0.000 0.766 332 E HN 0.155 nan 8.360 nan 0.000 0.468 333 V N 0.357 120.083 119.914 -0.314 0.000 2.535 333 V HA -0.062 4.027 4.120 -0.052 0.000 0.246 333 V C 0.356 176.053 176.094 -0.662 0.000 1.045 333 V CA 1.029 62.989 62.300 -0.567 0.000 1.058 333 V CB -0.091 31.164 31.823 -0.946 0.000 0.689 333 V HN 0.081 nan 8.190 nan 0.000 0.461 334 F N -0.780 119.104 119.950 -0.111 0.000 2.427 334 F HA 0.638 5.134 4.527 -0.052 0.000 0.348 334 F C 1.029 176.755 175.800 -0.123 0.000 1.125 334 F CA -0.155 57.796 58.000 -0.081 0.000 0.989 334 F CB 1.363 40.383 39.000 0.033 0.000 1.165 334 F HN -0.084 nan 8.300 nan 0.000 0.442 335 A N 1.717 124.561 122.820 0.041 0.000 1.940 335 A HA -0.160 4.129 4.320 -0.052 0.000 0.219 335 A C 2.196 179.763 177.584 -0.027 0.000 1.176 335 A CA 2.094 54.124 52.037 -0.011 0.000 0.631 335 A CB -0.719 18.270 19.000 -0.020 0.000 0.814 335 A HN 0.707 nan 8.150 nan 0.000 0.446 336 S N -0.355 115.293 115.700 -0.086 0.000 2.440 336 S HA -0.069 4.370 4.470 -0.052 0.000 0.238 336 S C 1.377 175.964 174.600 -0.023 0.000 1.010 336 S CA 1.264 59.383 58.200 -0.136 0.000 0.972 336 S CB -0.322 62.614 63.200 -0.440 0.000 0.774 336 S HN 0.545 nan 8.310 nan 0.000 0.501 337 L N 0.557 121.790 121.223 0.017 0.000 2.607 337 L HA 0.202 4.511 4.340 -0.052 0.000 0.228 337 L C 2.412 179.300 176.870 0.030 0.000 1.123 337 L CA 0.135 55.008 54.840 0.056 0.000 0.890 337 L CB -0.673 41.365 42.059 -0.035 0.000 1.103 337 L HN 0.341 nan 8.230 nan 0.000 0.468 338 G N 1.619 110.423 108.800 0.006 0.000 2.503 338 G HA2 -0.319 3.610 3.960 -0.052 0.000 0.221 338 G HA3 -0.319 3.610 3.960 -0.052 0.000 0.221 338 G C 0.784 175.708 174.900 0.040 0.000 1.131 338 G CA 1.338 46.440 45.100 0.004 0.000 0.756 338 G HN 0.640 nan 8.290 nan 0.000 0.572 339 D N -0.821 119.616 120.400 0.061 0.000 2.525 339 D HA 0.304 4.912 4.640 -0.052 0.000 0.229 339 D C 0.044 176.413 176.300 0.115 0.000 1.202 339 D CA -0.487 53.559 54.000 0.076 0.000 0.828 339 D CB 0.493 41.326 40.800 0.055 0.000 1.008 339 D HN 0.113 nan 8.370 nan 0.000 0.493 340 V N 0.940 120.962 119.914 0.180 0.000 2.513 340 V HA 0.525 4.614 4.120 -0.052 0.000 0.299 340 V C 0.423 176.706 176.094 0.314 0.000 1.035 340 V CA -0.964 61.485 62.300 0.248 0.000 0.889 340 V CB 1.674 33.702 31.823 0.341 0.000 0.988 340 V HN 0.401 nan 8.190 nan 0.000 0.440 341 S N 3.983 119.771 115.700 0.146 0.000 2.616 341 S HA 0.399 4.838 4.470 -0.052 0.000 0.277 341 S C 0.796 175.240 174.600 -0.259 0.000 1.234 341 S CA -0.513 57.723 58.200 0.060 0.000 1.028 341 S CB 1.472 64.698 63.200 0.043 0.000 0.988 341 S HN 0.660 nan 8.310 nan 0.000 0.522 342 L N 1.541 122.549 121.223 -0.358 0.000 2.012 342 L HA -0.074 4.235 4.340 -0.052 0.000 0.210 342 L C 2.352 179.091 176.870 -0.220 0.000 1.073 342 L CA 1.983 56.471 54.840 -0.587 0.000 0.748 342 L CB -1.230 40.745 42.059 -0.140 0.000 0.891 342 L HN 0.934 nan 8.230 nan 0.000 0.431 343 E N -0.480 119.674 120.200 -0.078 0.000 2.085 343 E HA -0.231 4.087 4.350 -0.052 0.000 0.194 343 E C 1.804 178.440 176.600 0.060 0.000 0.994 343 E CA 1.496 57.899 56.400 0.005 0.000 0.801 343 E CB -0.195 29.503 29.700 -0.003 0.000 0.743 343 E HN 0.639 nan 8.360 nan 0.000 0.453 344 D N 0.035 120.454 120.400 0.031 0.000 2.117 344 D HA -0.134 4.475 4.640 -0.052 0.000 0.198 344 D C 1.734 178.042 176.300 0.014 0.000 0.982 344 D CA 0.681 54.720 54.000 0.065 0.000 0.828 344 D CB -0.334 40.496 40.800 0.052 0.000 0.967 344 D HN 0.110 nan 8.370 nan 0.000 0.464 345 F N 1.331 121.143 119.950 -0.229 0.000 2.113 345 F HA -0.193 4.303 4.527 -0.052 0.000 0.297 345 F C 2.463 178.102 175.800 -0.269 0.000 1.103 345 F CA 1.448 59.261 58.000 -0.311 0.000 1.248 345 F CB -0.173 38.483 39.000 -0.574 0.000 0.999 345 F HN 0.037 nan 8.300 nan 0.000 0.475 346 H N -0.233 118.718 119.070 -0.199 0.000 2.387 346 H HA -0.255 4.270 4.556 -0.052 0.000 0.299 346 H C 2.335 177.619 175.328 -0.073 0.000 1.090 346 H CA 2.077 58.039 56.048 -0.143 0.000 1.332 346 H CB -0.795 28.995 29.762 0.046 0.000 1.386 346 H HN 0.501 nan 8.280 nan 0.000 0.516 347 F N 0.825 120.621 119.950 -0.257 0.000 2.146 347 F HA -0.159 4.337 4.527 -0.052 0.000 0.298 347 F C 2.704 178.313 175.800 -0.317 0.000 1.096 347 F CA 0.767 58.591 58.000 -0.294 0.000 1.275 347 F CB -0.098 38.781 39.000 -0.203 0.000 1.008 347 F HN 0.276 nan 8.300 nan 0.000 0.480 348 A N 0.352 123.020 122.820 -0.252 0.000 1.883 348 A HA -0.237 4.052 4.320 -0.052 0.000 0.217 348 A C 1.963 179.335 177.584 -0.353 0.000 1.186 348 A CA 2.044 53.867 52.037 -0.357 0.000 0.624 348 A CB -1.498 17.283 19.000 -0.366 0.000 0.822 348 A HN 0.401 nan 8.150 nan 0.000 0.444 349 V N -2.839 116.767 119.914 -0.513 0.000 3.444 349 V HA 0.041 4.130 4.120 -0.052 0.000 0.271 349 V C 0.714 176.615 176.094 -0.322 0.000 1.188 349 V CA 1.704 63.744 62.300 -0.433 0.000 1.168 349 V CB -0.830 30.722 31.823 -0.452 0.000 0.810 349 V HN 0.494 nan 8.190 nan 0.000 0.500 350 N N 0.869 119.443 118.700 -0.210 0.000 2.197 350 N HA 0.413 5.122 4.740 -0.052 0.000 0.228 350 N C 0.646 176.271 175.510 0.191 0.000 1.212 350 N CA 0.569 53.605 53.050 -0.023 0.000 0.883 350 N CB 1.246 39.664 38.487 -0.116 0.000 1.107 350 N HN 0.590 nan 8.380 nan 0.000 0.519 351 A N 1.003 123.854 122.820 0.052 0.000 2.546 351 A HA 0.279 4.568 4.320 -0.052 0.000 0.243 351 A C 0.432 178.108 177.584 0.154 0.000 1.063 351 A CA 0.251 52.347 52.037 0.099 0.000 0.757 351 A CB 0.259 19.229 19.000 -0.050 0.000 0.991 351 A HN -0.013 nan 8.150 nan 0.000 0.503 352 V N 2.898 122.942 119.914 0.217 0.000 2.483 352 V HA 0.661 4.750 4.120 -0.052 0.000 0.295 352 V C 0.096 176.173 176.094 -0.029 0.000 1.035 352 V CA -0.343 61.963 62.300 0.010 0.000 0.896 352 V CB 1.325 33.030 31.823 -0.197 0.000 0.986 352 V HN 1.013 nan 8.190 nan 0.000 0.447 353 E N 5.692 125.872 120.200 -0.033 0.000 2.522 353 E HA 0.294 4.613 4.350 -0.052 0.000 0.315 353 E C -2.955 173.641 176.600 -0.006 0.000 0.917 353 E CA -1.362 55.022 56.400 -0.027 0.000 0.796 353 E CB 2.575 32.272 29.700 -0.006 0.000 1.323 353 E HN 0.498 nan 8.360 nan 0.000 0.397 354 P HA 0.001 nan 4.420 nan 0.000 0.264 354 P C -0.710 176.617 177.300 0.046 0.000 1.193 354 P CA 0.295 63.392 63.100 -0.005 0.000 0.763 354 P CB 0.969 32.643 31.700 -0.044 0.000 0.810 355 S N 2.008 117.783 115.700 0.125 0.000 2.794 355 S HA 0.462 4.900 4.470 -0.052 0.000 0.299 355 S C 0.898 175.679 174.600 0.300 0.000 1.179 355 S CA -0.937 57.357 58.200 0.157 0.000 0.838 355 S CB 0.973 64.246 63.200 0.121 0.000 1.206 355 S HN 0.239 nan 8.310 nan 0.000 0.523 356 L N -0.572 120.797 121.223 0.244 0.000 2.354 356 L HA 0.356 4.665 4.340 -0.052 0.000 0.212 356 L C -0.375 176.684 176.870 0.314 0.000 1.091 356 L CA 0.502 55.525 54.840 0.304 0.000 0.828 356 L CB -0.325 41.794 42.059 0.100 0.000 0.973 356 L HN 0.461 nan 8.230 nan 0.000 0.461 357 I N 0.116 120.765 120.570 0.132 0.000 2.304 357 I HA 0.128 4.267 4.170 -0.052 0.000 0.291 357 I C 1.407 177.368 176.117 -0.260 0.000 1.018 357 I CA 0.122 61.420 61.300 -0.003 0.000 1.260 357 I CB 1.118 39.123 38.000 0.008 0.000 1.390 357 I HN 0.025 nan 8.210 nan 0.000 0.475 358 R N 5.442 125.684 120.500 -0.429 0.000 2.094 358 R HA -0.164 4.145 4.340 -0.052 0.000 0.239 358 R C 1.725 177.855 176.300 -0.284 0.000 1.137 358 R CA 2.435 58.095 56.100 -0.733 0.000 0.943 358 R CB -0.173 29.808 30.300 -0.531 0.000 0.850 358 R HN 0.634 nan 8.270 nan 0.000 0.433 359 V N -1.304 118.552 119.914 -0.097 0.000 3.186 359 V HA -0.083 4.006 4.120 -0.052 0.000 0.270 359 V C 0.933 177.055 176.094 0.048 0.000 1.149 359 V CA 1.821 64.140 62.300 0.031 0.000 1.160 359 V CB -0.484 31.370 31.823 0.052 0.000 0.758 359 V HN 0.388 nan 8.190 nan 0.000 0.516 360 E N 0.998 121.208 120.200 0.017 0.000 2.489 360 E HA 0.473 4.792 4.350 -0.052 0.000 0.204 360 E C 1.148 177.784 176.600 0.060 0.000 1.006 360 E CA 0.362 56.797 56.400 0.060 0.000 0.936 360 E CB 0.556 30.290 29.700 0.057 0.000 1.002 360 E HN 0.689 nan 8.360 nan 0.000 0.488 361 A N 2.666 125.504 122.820 0.031 0.000 2.498 361 A HA 0.104 4.393 4.320 -0.052 0.000 0.239 361 A C 0.019 177.695 177.584 0.154 0.000 1.068 361 A CA -0.303 51.791 52.037 0.094 0.000 0.766 361 A CB 0.004 19.022 19.000 0.031 0.000 1.003 361 A HN 0.193 nan 8.150 nan 0.000 0.497 362 D N 0.926 121.398 120.400 0.121 0.000 2.377 362 D HA 0.184 4.792 4.640 -0.052 0.000 0.245 362 D C 0.790 177.161 176.300 0.118 0.000 1.196 362 D CA -0.207 53.841 54.000 0.081 0.000 0.962 362 D CB 0.457 41.278 40.800 0.035 0.000 1.127 362 D HN 0.602 nan 8.370 nan 0.000 0.471 363 E N -0.520 119.737 120.200 0.095 0.000 2.114 363 E HA -0.222 4.097 4.350 -0.052 0.000 0.199 363 E C 2.004 178.700 176.600 0.161 0.000 1.008 363 E CA 1.482 57.979 56.400 0.162 0.000 0.810 363 E CB -0.098 29.735 29.700 0.222 0.000 0.739 363 E HN 0.389 nan 8.360 nan 0.000 0.456 364 V N 0.776 120.658 119.914 -0.054 0.000 2.407 364 V HA -0.193 3.896 4.120 -0.052 0.000 0.245 364 V C 2.613 178.711 176.094 0.007 0.000 1.041 364 V CA 2.074 64.309 62.300 -0.108 0.000 1.040 364 V CB -0.694 30.904 31.823 -0.375 0.000 0.671 364 V HN 0.467 nan 8.190 nan 0.000 0.455 365 T N -2.822 111.745 114.554 0.022 0.000 3.014 365 T HA -0.145 4.174 4.350 -0.052 0.000 0.263 365 T C 1.800 176.587 174.700 0.146 0.000 1.078 365 T CA 0.928 63.049 62.100 0.035 0.000 1.135 365 T CB -0.561 68.322 68.868 0.025 0.000 0.895 365 T HN 0.413 nan 8.240 nan 0.000 0.480 366 Y N 3.543 123.916 120.300 0.122 0.000 2.029 366 Y HA -0.328 4.191 4.550 -0.051 0.000 0.269 366 Y C 2.182 178.150 175.900 0.114 0.000 1.201 366 Y CA 2.231 60.417 58.100 0.144 0.000 1.115 366 Y CB -0.723 37.783 38.460 0.078 0.000 0.945 366 Y HN 0.201 nan 8.280 nan 0.000 0.497 367 N N 0.283 119.087 118.700 0.173 0.000 2.443 367 N HA -0.143 4.566 4.740 -0.052 0.000 0.184 367 N C 1.785 177.250 175.510 -0.076 0.000 1.037 367 N CA 1.365 54.444 53.050 0.047 0.000 0.896 367 N CB -0.261 38.277 38.487 0.086 0.000 0.959 367 N HN 0.458 nan 8.380 nan 0.000 0.442 368 L N 0.234 121.364 121.223 -0.154 0.000 2.141 368 L HA -0.113 4.196 4.340 -0.052 0.000 0.209 368 L C 2.238 178.799 176.870 -0.515 0.000 1.094 368 L CA 0.815 55.462 54.840 -0.321 0.000 0.763 368 L CB -0.461 41.395 42.059 -0.338 0.000 0.908 368 L HN 0.255 nan 8.230 nan 0.000 0.437 369 H N -0.023 118.753 119.070 -0.489 0.000 2.353 369 H HA -0.122 4.403 4.556 -0.053 0.000 0.300 369 H C 2.317 177.292 175.328 -0.589 0.000 1.090 369 H CA 1.430 57.110 56.048 -0.614 0.000 1.327 369 H CB 0.214 29.632 29.762 -0.573 0.000 1.383 369 H HN 0.210 nan 8.280 nan 0.000 0.508 370 I N 0.963 121.326 120.570 -0.344 0.000 2.315 370 I HA -0.220 3.919 4.170 -0.052 0.000 0.248 370 I C 2.749 178.753 176.117 -0.189 0.000 1.117 370 I CA 0.698 61.868 61.300 -0.217 0.000 1.404 370 I CB -1.164 36.875 38.000 0.066 0.000 1.071 370 I HN 0.215 nan 8.210 nan 0.000 0.419 371 L N 0.304 121.413 121.223 -0.190 0.000 2.012 371 L HA -0.222 4.087 4.340 -0.052 0.000 0.210 371 L C 2.642 179.256 176.870 -0.426 0.000 1.073 371 L CA 1.313 55.956 54.840 -0.329 0.000 0.748 371 L CB -0.092 41.741 42.059 -0.376 0.000 0.891 371 L HN -0.012 nan 8.230 nan 0.000 0.431 372 V N 0.194 119.815 119.914 -0.487 0.000 2.255 372 V HA -0.352 3.737 4.120 -0.052 0.000 0.247 372 V C 2.610 178.535 176.094 -0.282 0.000 1.051 372 V CA 2.272 64.327 62.300 -0.409 0.000 1.018 372 V CB -0.704 30.741 31.823 -0.631 0.000 0.641 372 V HN 0.489 nan 8.190 nan 0.000 0.445 373 R N -0.546 119.754 120.500 -0.334 0.000 2.091 373 R HA -0.180 4.129 4.340 -0.052 0.000 0.238 373 R C 2.218 178.605 176.300 0.145 0.000 1.136 373 R CA 1.681 57.723 56.100 -0.096 0.000 0.959 373 R CB -0.660 29.354 30.300 -0.477 0.000 0.856 373 R HN 0.413 nan 8.270 nan 0.000 0.437 374 L N 1.652 122.862 121.223 -0.023 0.000 1.994 374 L HA -0.173 4.136 4.340 -0.052 0.000 0.208 374 L C 1.781 178.590 176.870 -0.101 0.000 1.071 374 L CA 1.857 56.666 54.840 -0.051 0.000 0.745 374 L CB -0.479 41.372 42.059 -0.347 0.000 0.892 374 L HN 0.141 nan 8.230 nan 0.000 0.431 375 E N -0.379 119.738 120.200 -0.139 0.000 2.097 375 E HA -0.260 4.059 4.350 -0.052 0.000 0.196 375 E C 2.279 178.867 176.600 -0.020 0.000 1.000 375 E CA 1.733 58.078 56.400 -0.091 0.000 0.804 375 E CB -0.372 29.294 29.700 -0.057 0.000 0.740 375 E HN 0.538 nan 8.360 nan 0.000 0.454 376 L N 0.842 122.101 121.223 0.061 0.000 2.017 376 L HA -0.201 4.108 4.340 -0.052 0.000 0.208 376 L C 2.436 179.378 176.870 0.121 0.000 1.073 376 L CA 1.316 56.239 54.840 0.138 0.000 0.745 376 L CB -0.429 41.828 42.059 0.330 0.000 0.894 376 L HN 0.138 nan 8.230 nan 0.000 0.432 377 E N 0.100 120.438 120.200 0.230 0.000 2.110 377 E HA -0.211 4.108 4.350 -0.052 0.000 0.193 377 E C 2.357 179.007 176.600 0.084 0.000 0.988 377 E CA 0.990 57.574 56.400 0.307 0.000 0.804 377 E CB -0.074 29.992 29.700 0.611 0.000 0.745 377 E HN 0.447 nan 8.360 nan 0.000 0.458 378 L N 0.372 121.470 121.223 -0.209 0.000 2.056 378 L HA -0.165 4.144 4.340 -0.052 0.000 0.207 378 L C 2.582 179.408 176.870 -0.074 0.000 1.078 378 L CA 0.972 55.636 54.840 -0.293 0.000 0.749 378 L CB -0.428 41.453 42.059 -0.296 0.000 0.901 378 L HN 0.140 nan 8.230 nan 0.000 0.433 379 A N 0.089 122.879 122.820 -0.049 0.000 1.902 379 A HA -0.179 4.110 4.320 -0.052 0.000 0.217 379 A C 2.258 179.814 177.584 -0.047 0.000 1.181 379 A CA 1.450 53.467 52.037 -0.034 0.000 0.623 379 A CB -0.701 18.285 19.000 -0.024 0.000 0.818 379 A HN 0.326 nan 8.150 nan 0.000 0.443 380 L N -2.106 119.067 121.223 -0.083 0.000 1.976 380 L HA -0.180 4.129 4.340 -0.052 0.000 0.209 380 L C 2.466 179.238 176.870 -0.162 0.000 1.071 380 L CA 1.654 56.362 54.840 -0.221 0.000 0.746 380 L CB -0.552 41.242 42.059 -0.442 0.000 0.890 380 L HN 0.424 nan 8.230 nan 0.000 0.432 381 F N -0.532 119.447 119.950 0.049 0.000 2.407 381 F HA -0.075 4.423 4.527 -0.048 0.000 0.299 381 F C 2.413 178.202 175.800 -0.018 0.000 1.097 381 F CA 0.753 58.779 58.000 0.043 0.000 1.422 381 F CB -0.203 38.848 39.000 0.086 0.000 1.067 381 F HN -0.087 nan 8.300 nan 0.000 0.539 382 R N -0.019 120.542 120.500 0.102 0.000 2.313 382 R HA 0.136 4.445 4.340 -0.052 0.000 0.199 382 R C 1.459 177.768 176.300 0.014 0.000 0.958 382 R CA 0.619 56.743 56.100 0.039 0.000 1.047 382 R CB -0.316 29.991 30.300 0.012 0.000 0.955 382 R HN 0.316 nan 8.270 nan 0.000 0.481 383 G N 1.477 110.278 108.800 0.001 0.000 2.160 383 G HA2 -0.300 3.629 3.960 -0.052 0.000 0.251 383 G HA3 -0.300 3.629 3.960 -0.052 0.000 0.251 383 G C 0.321 175.209 174.900 -0.020 0.000 1.008 383 G CA 0.471 45.562 45.100 -0.014 0.000 0.724 383 G HN 0.471 nan 8.290 nan 0.000 0.514 384 E N -1.118 119.068 120.200 -0.024 0.000 2.476 384 E HA 0.461 4.779 4.350 -0.052 0.000 0.199 384 E C 0.759 177.341 176.600 -0.030 0.000 1.021 384 E CA 0.042 56.430 56.400 -0.021 0.000 0.907 384 E CB 0.950 30.641 29.700 -0.015 0.000 0.974 384 E HN 0.514 nan 8.360 nan 0.000 0.489 385 L N 0.415 121.607 121.223 -0.052 0.000 2.455 385 L HA 0.431 4.740 4.340 -0.052 0.000 0.264 385 L C -1.232 175.571 176.870 -0.113 0.000 0.968 385 L CA -0.658 54.144 54.840 -0.064 0.000 0.827 385 L CB 2.181 44.206 42.059 -0.057 0.000 1.317 385 L HN -0.129 nan 8.230 nan 0.000 0.407 386 S N 4.337 119.982 115.700 -0.090 0.000 2.525 386 S HA 0.520 4.959 4.470 -0.052 0.000 0.290 386 S C -1.669 172.852 174.600 -0.133 0.000 1.152 386 S CA -1.662 56.467 58.200 -0.119 0.000 1.072 386 S CB 1.444 64.609 63.200 -0.058 0.000 1.027 386 S HN 0.592 nan 8.310 nan 0.000 0.500 387 P HA -0.203 nan 4.420 nan 0.000 0.220 387 P C 0.878 178.236 177.300 0.097 0.000 1.144 387 P CA 1.289 64.291 63.100 -0.164 0.000 0.800 387 P CB -0.105 31.406 31.700 -0.314 0.000 0.772 388 E N -0.030 120.213 120.200 0.073 0.000 2.274 388 E HA -0.124 4.195 4.350 -0.052 0.000 0.194 388 E C 0.818 177.525 176.600 0.178 0.000 0.996 388 E CA 0.734 57.239 56.400 0.176 0.000 0.840 388 E CB -0.658 29.096 29.700 0.090 0.000 0.772 388 E HN 0.221 nan 8.360 nan 0.000 0.491 389 D N 0.676 121.133 120.400 0.096 0.000 2.358 389 D HA 0.138 4.747 4.640 -0.052 0.000 0.224 389 D C 1.553 177.897 176.300 0.074 0.000 1.123 389 D CA -0.043 53.999 54.000 0.069 0.000 0.833 389 D CB 0.466 41.288 40.800 0.036 0.000 0.946 389 D HN 0.241 nan 8.370 nan 0.000 0.505 390 L N 0.798 122.086 121.223 0.108 0.000 2.056 390 L HA -0.075 4.234 4.340 -0.052 0.000 0.207 390 L C -0.467 176.465 176.870 0.103 0.000 1.078 390 L CA 1.296 56.227 54.840 0.151 0.000 0.749 390 L CB -1.289 40.925 42.059 0.258 0.000 0.901 390 L HN -0.013 nan 8.230 nan 0.000 0.433 391 P HA -0.180 nan 4.420 nan 0.000 0.215 391 P C 1.113 178.412 177.300 -0.002 0.000 1.157 391 P CA 1.300 64.295 63.100 -0.174 0.000 0.868 391 P CB 0.097 31.638 31.700 -0.265 0.000 0.788 392 E N -0.237 119.973 120.200 0.017 0.000 2.047 392 E HA -0.109 4.210 4.350 -0.052 0.000 0.191 392 E C 2.171 178.819 176.600 0.081 0.000 0.987 392 E CA 1.508 57.929 56.400 0.035 0.000 0.799 392 E CB -1.349 28.366 29.700 0.025 0.000 0.752 392 E HN 0.125 nan 8.360 nan 0.000 0.449 393 A N 1.229 124.113 122.820 0.106 0.000 1.933 393 A HA -0.184 4.105 4.320 -0.052 0.000 0.218 393 A C 1.959 179.653 177.584 0.183 0.000 1.175 393 A CA 1.250 53.357 52.037 0.116 0.000 0.628 393 A CB -1.002 18.064 19.000 0.111 0.000 0.814 393 A HN 0.526 nan 8.150 nan 0.000 0.444 394 W N 0.877 122.208 121.300 0.052 0.000 2.355 394 W HA -0.201 4.436 4.660 -0.038 0.000 0.309 394 W C 2.346 178.910 176.519 0.075 0.000 1.206 394 W CA 2.239 59.637 57.345 0.088 0.000 1.284 394 W CB -0.633 28.837 29.460 0.018 0.000 1.145 394 W HN 0.420 nan 8.180 nan 0.000 0.502 395 A N 0.838 123.846 122.820 0.312 0.000 1.865 395 A HA -0.270 4.019 4.320 -0.052 0.000 0.217 395 A C 1.888 179.536 177.584 0.107 0.000 1.191 395 A CA 2.166 54.307 52.037 0.174 0.000 0.623 395 A CB -1.129 17.911 19.000 0.067 0.000 0.826 395 A HN 0.479 nan 8.150 nan 0.000 0.444 396 E N -0.222 120.017 120.200 0.065 0.000 2.058 396 E HA -0.215 4.103 4.350 -0.052 0.000 0.194 396 E C 2.066 178.651 176.600 -0.026 0.000 0.997 396 E CA 1.296 57.702 56.400 0.009 0.000 0.801 396 E CB -0.180 29.519 29.700 -0.002 0.000 0.746 396 E HN 0.372 nan 8.360 nan 0.000 0.450 397 K N 0.390 120.786 120.400 -0.006 0.000 2.032 397 K HA -0.173 4.116 4.320 -0.052 0.000 0.209 397 K C 2.096 178.650 176.600 -0.077 0.000 1.048 397 K CA 1.327 57.584 56.287 -0.050 0.000 0.927 397 K CB -0.618 31.872 32.500 -0.018 0.000 0.712 397 K HN 0.229 nan 8.250 nan 0.000 0.441 398 Y N 1.549 121.735 120.300 -0.190 0.000 2.145 398 Y HA -0.156 4.364 4.550 -0.049 0.000 0.286 398 Y C 2.572 178.390 175.900 -0.136 0.000 1.145 398 Y CA 1.479 59.465 58.100 -0.191 0.000 1.148 398 Y CB -0.149 38.211 38.460 -0.167 0.000 0.981 398 Y HN 0.069 nan 8.280 nan 0.000 0.507 399 R N -0.095 120.428 120.500 0.038 0.000 2.083 399 R HA -0.187 4.122 4.340 -0.052 0.000 0.237 399 R C 1.716 177.958 176.300 -0.096 0.000 1.137 399 R CA 1.708 57.795 56.100 -0.021 0.000 0.951 399 R CB -0.526 29.762 30.300 -0.021 0.000 0.851 399 R HN 0.400 nan 8.270 nan 0.000 0.434 400 D N -0.394 119.904 120.400 -0.169 0.000 2.117 400 D HA -0.118 4.491 4.640 -0.052 0.000 0.198 400 D C 1.979 178.098 176.300 -0.301 0.000 0.982 400 D CA 1.238 55.079 54.000 -0.265 0.000 0.828 400 D CB -0.172 40.398 40.800 -0.383 0.000 0.967 400 D HN 0.371 nan 8.370 nan 0.000 0.464 401 H N -0.206 118.756 119.070 -0.181 0.000 2.384 401 H HA 0.151 4.675 4.556 -0.053 0.000 0.300 401 H C 2.236 177.415 175.328 -0.247 0.000 1.057 401 H CA 0.540 56.453 56.048 -0.226 0.000 1.370 401 H CB 0.207 29.779 29.762 -0.317 0.000 1.417 401 H HN 0.119 nan 8.280 nan 0.000 0.527 402 L N -1.206 119.915 121.223 -0.171 0.000 2.515 402 L HA 0.211 4.520 4.340 -0.052 0.000 0.223 402 L C 1.569 178.377 176.870 -0.103 0.000 1.079 402 L CA 0.605 55.331 54.840 -0.190 0.000 0.857 402 L CB 0.595 42.462 42.059 -0.320 0.000 1.050 402 L HN 0.417 nan 8.230 nan 0.000 0.476 403 G N 0.875 109.629 108.800 -0.077 0.000 2.176 403 G HA2 -0.240 3.688 3.960 -0.052 0.000 0.253 403 G HA3 -0.240 3.688 3.960 -0.052 0.000 0.253 403 G C 0.189 175.077 174.900 -0.020 0.000 0.979 403 G CA 0.192 45.262 45.100 -0.050 0.000 0.641 403 G HN 0.298 nan 8.290 nan 0.000 0.530 404 V N -3.226 116.695 119.914 0.012 0.000 2.808 404 V HA 0.999 5.088 4.120 -0.052 0.000 0.308 404 V C -0.116 176.050 176.094 0.121 0.000 1.099 404 V CA -0.327 62.002 62.300 0.047 0.000 0.920 404 V CB 1.580 33.433 31.823 0.051 0.000 1.014 404 V HN 1.897 nan 8.190 nan 0.000 0.425 405 A N 4.252 127.119 122.820 0.078 0.000 2.423 405 A HA 1.083 5.372 4.320 -0.052 0.000 0.304 405 A C -2.996 174.586 177.584 -0.003 0.000 1.104 405 A CA -1.928 50.155 52.037 0.077 0.000 0.757 405 A CB 1.642 20.679 19.000 0.061 0.000 1.313 405 A HN 0.783 nan 8.150 nan 0.000 0.423 406 P HA 0.217 nan 4.420 nan 0.000 0.272 406 P C 0.065 177.288 177.300 -0.128 0.000 1.223 406 P CA -0.269 62.764 63.100 -0.112 0.000 0.784 406 P CB 0.646 32.236 31.700 -0.182 0.000 0.923 407 K N 0.450 120.765 120.400 -0.142 0.000 2.360 407 K HA 0.125 4.414 4.320 -0.052 0.000 0.196 407 K C -0.212 176.248 176.600 -0.233 0.000 1.049 407 K CA 0.451 56.646 56.287 -0.154 0.000 1.049 407 K CB 0.064 32.501 32.500 -0.106 0.000 0.881 407 K HN 0.487 nan 8.250 nan 0.000 0.542 408 D N -1.081 119.155 120.400 -0.273 0.000 2.837 408 D HA 0.153 4.762 4.640 -0.052 0.000 0.294 408 D C 0.594 176.613 176.300 -0.469 0.000 1.158 408 D CA -0.807 52.972 54.000 -0.369 0.000 1.073 408 D CB -0.171 40.521 40.800 -0.180 0.000 1.419 408 D HN -0.110 nan 8.370 nan 0.000 0.584 409 Y N -0.690 119.522 120.300 -0.147 0.000 2.389 409 Y HA 0.203 4.746 4.550 -0.011 0.000 0.292 409 Y C 2.462 178.264 175.900 -0.163 0.000 1.117 409 Y CA 0.247 58.232 58.100 -0.192 0.000 1.195 409 Y CB 0.075 38.506 38.460 -0.049 0.000 1.076 409 Y HN 0.279 nan 8.280 nan 0.000 0.548 410 K N 0.593 121.017 120.400 0.040 0.000 2.034 410 K HA -0.232 4.057 4.320 -0.052 0.000 0.214 410 K C 0.200 176.765 176.600 -0.058 0.000 1.051 410 K CA 2.305 58.580 56.287 -0.021 0.000 0.931 410 K CB -0.177 32.299 32.500 -0.039 0.000 0.715 410 K HN 0.188 nan 8.250 nan 0.000 0.446 411 D N -0.605 119.741 120.400 -0.089 0.000 2.427 411 D HA 0.148 4.757 4.640 -0.052 0.000 0.224 411 D C 0.384 176.591 176.300 -0.155 0.000 1.157 411 D CA 0.161 54.110 54.000 -0.085 0.000 0.828 411 D CB 0.966 41.729 40.800 -0.062 0.000 0.974 411 D HN 0.413 nan 8.370 nan 0.000 0.498 412 G N -0.102 108.520 108.800 -0.297 0.000 3.414 412 G HA2 0.171 4.100 3.960 -0.052 0.000 0.196 412 G HA3 0.171 4.100 3.960 -0.052 0.000 0.196 412 G C 1.226 175.348 174.900 -1.296 0.000 1.486 412 G CA 0.162 44.868 45.100 -0.656 0.000 0.811 412 G HN 0.086 nan 8.290 nan 0.000 0.704 413 V N -1.220 117.710 119.914 -1.641 0.000 2.867 413 V HA 0.059 4.148 4.120 -0.052 0.000 0.260 413 V C 2.121 177.936 176.094 -0.466 0.000 1.099 413 V CA 1.779 63.170 62.300 -1.515 0.000 1.122 413 V CB -0.733 30.654 31.823 -0.726 0.000 0.708 413 V HN 0.409 nan 8.190 nan 0.000 0.490 414 M N 0.639 120.133 119.600 -0.176 0.000 2.419 414 M HA 0.152 4.601 4.480 -0.052 0.000 0.252 414 M C 1.921 178.368 176.300 0.244 0.000 1.143 414 M CA 0.232 55.642 55.300 0.183 0.000 0.985 414 M CB 0.390 33.141 32.600 0.252 0.000 1.489 414 M HN 0.590 nan 8.290 nan 0.000 0.484 415 Q N -0.129 119.696 119.800 0.042 0.000 2.172 415 Q HA 0.025 4.334 4.340 -0.052 0.000 0.200 415 Q C -0.301 175.829 176.000 0.217 0.000 0.964 415 Q CA 0.756 56.637 55.803 0.130 0.000 0.855 415 Q CB 0.073 28.842 28.738 0.053 0.000 0.918 415 Q HN 0.306 nan 8.270 nan 0.000 0.444 416 D N 0.911 121.353 120.400 0.070 0.000 2.185 416 D HA 0.087 4.696 4.640 -0.052 0.000 0.247 416 D C 0.210 176.270 176.300 -0.399 0.000 1.027 416 D CA -0.320 53.670 54.000 -0.017 0.000 0.861 416 D CB 2.613 43.432 40.800 0.032 0.000 1.202 416 D HN -0.060 nan 8.370 nan 0.000 0.453 417 V N 3.188 122.670 119.914 -0.721 0.000 3.041 417 V HA -0.198 3.891 4.120 -0.052 0.000 0.260 417 V C 1.481 177.189 176.094 -0.644 0.000 1.105 417 V CA 1.583 63.077 62.300 -1.343 0.000 1.125 417 V CB -0.594 30.482 31.823 -1.245 0.000 0.730 417 V HN 0.504 nan 8.190 nan 0.000 0.479 418 H N -0.570 118.165 119.070 -0.559 0.000 2.272 418 H HA -0.257 4.267 4.556 -0.055 0.000 0.289 418 H C 1.930 177.049 175.328 -0.349 0.000 1.100 418 H CA 2.985 58.701 56.048 -0.554 0.000 1.209 418 H CB -0.681 28.573 29.762 -0.847 0.000 1.348 418 H HN 0.559 nan 8.280 nan 0.000 0.481 419 W N 0.285 121.444 121.300 -0.235 0.000 2.392 419 W HA 0.077 4.699 4.660 -0.063 0.000 0.279 419 W C 2.720 179.228 176.519 -0.019 0.000 1.225 419 W CA 0.966 58.107 57.345 -0.340 0.000 1.233 419 W CB -1.045 28.392 29.460 -0.039 0.000 1.122 419 W HN 0.295 nan 8.180 nan 0.000 0.561 420 A N 0.255 123.207 122.820 0.219 0.000 1.897 420 A HA 0.042 4.331 4.320 -0.052 0.000 0.215 420 A C 2.326 179.991 177.584 0.136 0.000 1.181 420 A CA 1.760 53.961 52.037 0.273 0.000 0.620 420 A CB -1.260 17.842 19.000 0.170 0.000 0.821 420 A HN 0.213 nan 8.150 nan 0.000 0.443 421 G N -1.636 107.145 108.800 -0.031 0.000 2.848 421 G HA2 0.334 4.263 3.960 -0.052 0.000 0.208 421 G HA3 0.334 4.263 3.960 -0.052 0.000 0.208 421 G C 1.158 176.080 174.900 0.037 0.000 1.152 421 G CA 0.560 45.630 45.100 -0.049 0.000 0.789 421 G HN 1.644 nan 8.290 nan 0.000 0.531 422 G N -0.152 108.734 108.800 0.143 0.000 2.153 422 G HA2 -0.268 3.661 3.960 -0.052 0.000 0.252 422 G HA3 -0.268 3.661 3.960 -0.052 0.000 0.252 422 G C 0.450 175.523 174.900 0.288 0.000 0.994 422 G CA 0.161 45.464 45.100 0.339 0.000 0.698 422 G HN 0.526 nan 8.290 nan 0.000 0.521 423 L N 0.564 121.773 121.223 -0.024 0.000 2.384 423 L HA 0.476 4.785 4.340 -0.052 0.000 0.258 423 L C 0.070 176.937 176.870 -0.005 0.000 1.266 423 L CA -0.330 54.465 54.840 -0.075 0.000 1.162 423 L CB -0.388 41.327 42.059 -0.573 0.000 1.375 423 L HN 0.069 nan 8.230 nan 0.000 0.420 424 F N 0.178 120.380 119.950 0.420 0.000 2.421 424 F HA 0.546 5.036 4.527 -0.060 0.000 0.337 424 F C 1.292 177.333 175.800 0.401 0.000 1.105 424 F CA -0.305 58.004 58.000 0.514 0.000 1.049 424 F CB 1.908 41.240 39.000 0.552 0.000 1.139 424 F HN 0.468 nan 8.300 nan 0.000 0.479 425 G N 1.927 111.071 108.800 0.573 0.000 2.147 425 G HA2 -0.382 3.546 3.960 -0.052 0.000 0.244 425 G HA3 -0.382 3.546 3.960 -0.052 0.000 0.244 425 G C 0.193 175.278 174.900 0.309 0.000 1.005 425 G CA 0.730 45.962 45.100 0.220 0.000 0.713 425 G HN 0.774 nan 8.290 nan 0.000 0.515 426 Y N -0.713 119.617 120.300 0.050 0.000 2.422 426 Y HA 0.406 4.927 4.550 -0.049 0.000 0.291 426 Y C 2.507 178.354 175.900 -0.088 0.000 1.144 426 Y CA 1.118 58.995 58.100 -0.373 0.000 1.208 426 Y CB -0.008 38.033 38.460 -0.700 0.000 1.195 426 Y HN 0.160 nan 8.280 nan 0.000 0.535 427 F N 1.188 121.409 119.950 0.450 0.000 2.115 427 F HA -0.238 4.256 4.527 -0.056 0.000 0.300 427 F C -0.678 175.343 175.800 0.369 0.000 1.092 427 F CA 1.404 59.685 58.000 0.470 0.000 1.245 427 F CB -1.669 37.505 39.000 0.291 0.000 0.995 427 F HN 0.165 nan 8.300 nan 0.000 0.481 428 P HA -0.181 nan 4.420 nan 0.000 0.219 428 P C 1.604 179.069 177.300 0.275 0.000 1.146 428 P CA 2.258 65.599 63.100 0.402 0.000 0.808 428 P CB -0.449 31.456 31.700 0.341 0.000 0.779 429 T N -4.684 109.919 114.554 0.082 0.000 2.929 429 T HA -0.209 4.110 4.350 -0.052 0.000 0.271 429 T C 1.616 176.282 174.700 -0.057 0.000 1.085 429 T CA 1.057 63.110 62.100 -0.079 0.000 1.125 429 T CB -1.381 67.307 68.868 -0.299 0.000 0.874 429 T HN 0.119 nan 8.240 nan 0.000 0.494 430 Y N 1.848 122.243 120.300 0.159 0.000 2.242 430 Y HA -0.054 4.464 4.550 -0.053 0.000 0.291 430 Y C 3.153 179.131 175.900 0.131 0.000 1.137 430 Y CA 1.498 59.738 58.100 0.232 0.000 1.181 430 Y CB -0.625 38.093 38.460 0.430 0.000 0.989 430 Y HN 0.233 nan 8.280 nan 0.000 0.527 431 T N 0.379 115.082 114.554 0.249 0.000 2.857 431 T HA -0.110 4.209 4.350 -0.052 0.000 0.266 431 T C 1.986 176.526 174.700 -0.266 0.000 1.048 431 T CA 1.011 63.097 62.100 -0.023 0.000 1.139 431 T CB -0.450 68.370 68.868 -0.080 0.000 0.874 431 T HN 0.210 nan 8.240 nan 0.000 0.455 432 L N 0.815 121.874 121.223 -0.274 0.000 2.042 432 L HA -0.065 4.244 4.340 -0.052 0.000 0.210 432 L C 2.996 179.415 176.870 -0.751 0.000 1.076 432 L CA 1.442 55.877 54.840 -0.673 0.000 0.749 432 L CB -1.153 40.527 42.059 -0.630 0.000 0.893 432 L HN 0.351 nan 8.230 nan 0.000 0.432 433 G N 0.100 108.713 108.800 -0.313 0.000 2.491 433 G HA2 -0.298 3.630 3.960 -0.052 0.000 0.218 433 G HA3 -0.298 3.630 3.960 -0.052 0.000 0.218 433 G C 1.399 176.233 174.900 -0.110 0.000 1.180 433 G CA 0.921 45.962 45.100 -0.099 0.000 0.774 433 G HN 0.331 nan 8.290 nan 0.000 0.562 434 N N 0.402 118.979 118.700 -0.205 0.000 2.166 434 N HA -0.021 4.688 4.740 -0.052 0.000 0.186 434 N C 2.312 177.558 175.510 -0.441 0.000 1.019 434 N CA 0.713 53.557 53.050 -0.343 0.000 0.856 434 N CB -0.216 37.916 38.487 -0.591 0.000 0.993 434 N HN 0.316 nan 8.380 nan 0.000 0.426 435 L N -0.281 120.667 121.223 -0.459 0.000 2.044 435 L HA -0.126 4.182 4.340 -0.052 0.000 0.205 435 L C 2.122 178.988 176.870 -0.006 0.000 1.075 435 L CA 0.968 55.652 54.840 -0.260 0.000 0.747 435 L CB -0.663 41.228 42.059 -0.281 0.000 0.903 435 L HN 0.094 nan 8.230 nan 0.000 0.435 436 Y N 0.478 120.690 120.300 -0.147 0.000 2.224 436 Y HA -0.171 4.348 4.550 -0.051 0.000 0.289 436 Y C 2.727 178.541 175.900 -0.143 0.000 1.146 436 Y CA 0.498 58.435 58.100 -0.273 0.000 1.182 436 Y CB -1.334 37.004 38.460 -0.203 0.000 0.983 436 Y HN 0.127 nan 8.280 nan 0.000 0.524 437 A N 0.193 123.149 122.820 0.226 0.000 1.908 437 A HA -0.135 4.154 4.320 -0.052 0.000 0.218 437 A C 2.566 180.281 177.584 0.218 0.000 1.181 437 A CA 2.137 54.342 52.037 0.281 0.000 0.627 437 A CB -1.137 17.941 19.000 0.129 0.000 0.818 437 A HN 0.377 nan 8.150 nan 0.000 0.445 438 A N -0.845 122.057 122.820 0.138 0.000 1.898 438 A HA -0.192 4.096 4.320 -0.052 0.000 0.216 438 A C 2.141 179.827 177.584 0.170 0.000 1.181 438 A CA 1.615 53.730 52.037 0.131 0.000 0.620 438 A CB -0.540 18.617 19.000 0.262 0.000 0.819 438 A HN 0.661 nan 8.150 nan 0.000 0.442 439 Q N -1.369 118.498 119.800 0.111 0.000 2.079 439 Q HA -0.090 4.219 4.340 -0.052 0.000 0.200 439 Q C 1.896 177.979 176.000 0.137 0.000 0.974 439 Q CA 1.451 57.286 55.803 0.054 0.000 0.840 439 Q CB -0.294 28.396 28.738 -0.081 0.000 0.898 439 Q HN 0.783 nan 8.270 nan 0.000 0.430 440 F N -0.422 119.661 119.950 0.222 0.000 2.102 440 F HA -0.228 4.267 4.527 -0.052 0.000 0.298 440 F C 2.103 178.038 175.800 0.225 0.000 1.105 440 F CA 0.546 58.727 58.000 0.300 0.000 1.239 440 F CB -0.176 39.034 39.000 0.351 0.000 0.991 440 F HN 0.059 nan 8.300 nan 0.000 0.474 441 F N 1.097 121.200 119.950 0.254 0.000 2.216 441 F HA -0.250 4.246 4.527 -0.052 0.000 0.300 441 F C 2.544 178.297 175.800 -0.078 0.000 1.085 441 F CA 1.689 59.709 58.000 0.035 0.000 1.326 441 F CB -0.546 38.420 39.000 -0.056 0.000 1.027 441 F HN -0.032 nan 8.300 nan 0.000 0.497 442 Q N 0.097 119.963 119.800 0.110 0.000 2.020 442 Q HA -0.281 4.028 4.340 -0.052 0.000 0.202 442 Q C 2.281 178.230 176.000 -0.084 0.000 0.982 442 Q CA 1.901 57.716 55.803 0.019 0.000 0.838 442 Q CB -0.191 28.595 28.738 0.081 0.000 0.899 442 Q HN 0.181 nan 8.270 nan 0.000 0.423 443 K N 0.410 120.803 120.400 -0.011 0.000 2.063 443 K HA -0.140 4.149 4.320 -0.052 0.000 0.208 443 K C 1.722 178.167 176.600 -0.260 0.000 1.048 443 K CA 1.564 57.851 56.287 0.001 0.000 0.928 443 K CB -0.600 32.048 32.500 0.246 0.000 0.713 443 K HN 0.311 nan 8.250 nan 0.000 0.442 444 A N 0.896 123.314 122.820 -0.670 0.000 1.865 444 A HA -0.218 4.071 4.320 -0.052 0.000 0.217 444 A C 2.056 179.192 177.584 -0.746 0.000 1.191 444 A CA 2.009 53.300 52.037 -1.243 0.000 0.623 444 A CB -0.655 17.587 19.000 -1.263 0.000 0.826 444 A HN 0.522 nan 8.150 nan 0.000 0.444 445 E N -0.537 119.279 120.200 -0.640 0.000 2.150 445 E HA -0.088 4.231 4.350 -0.052 0.000 0.193 445 E C 2.302 178.728 176.600 -0.290 0.000 0.985 445 E CA 0.745 56.857 56.400 -0.480 0.000 0.814 445 E CB -0.247 29.193 29.700 -0.432 0.000 0.752 445 E HN 0.632 nan 8.360 nan 0.000 0.466 446 A N 1.553 124.237 122.820 -0.226 0.000 1.877 446 A HA -0.218 4.071 4.320 -0.052 0.000 0.216 446 A C 1.869 179.386 177.584 -0.111 0.000 1.186 446 A CA 1.400 53.361 52.037 -0.128 0.000 0.620 446 A CB -0.305 18.652 19.000 -0.072 0.000 0.822 446 A HN 0.152 nan 8.150 nan 0.000 0.443 447 E N -0.748 119.377 120.200 -0.126 0.000 2.299 447 E HA 0.087 4.406 4.350 -0.052 0.000 0.193 447 E C 1.325 177.871 176.600 -0.089 0.000 0.998 447 E CA 0.495 56.858 56.400 -0.061 0.000 0.851 447 E CB -0.002 29.724 29.700 0.043 0.000 0.795 447 E HN 0.598 nan 8.360 nan 0.000 0.492 448 L N -0.568 120.545 121.223 -0.184 0.000 2.664 448 L HA 0.282 4.590 4.340 -0.052 0.000 0.233 448 L C 0.853 177.627 176.870 -0.161 0.000 1.113 448 L CA -0.004 54.741 54.840 -0.159 0.000 0.896 448 L CB 0.514 42.446 42.059 -0.211 0.000 1.163 448 L HN 0.084 nan 8.230 nan 0.000 0.497 449 G N 1.320 110.014 108.800 -0.177 0.000 2.746 449 G HA2 -0.155 3.774 3.960 -0.052 0.000 0.685 449 G HA3 -0.155 3.774 3.960 -0.052 0.000 0.685 449 G C -2.682 172.087 174.900 -0.219 0.000 1.350 449 G CA -1.030 43.974 45.100 -0.160 0.000 0.837 449 G HN -0.010 nan 8.290 nan 0.000 0.564 450 P HA 0.050 nan 4.420 nan 0.000 0.257 450 P C 1.184 178.291 177.300 -0.322 0.000 1.162 450 P CA 0.324 63.289 63.100 -0.225 0.000 0.762 450 P CB 0.294 31.901 31.700 -0.154 0.000 0.753 451 L N 2.264 123.204 121.223 -0.471 0.000 2.341 451 L HA -0.102 4.207 4.340 -0.052 0.000 0.214 451 L C 2.240 178.569 176.870 -0.902 0.000 1.115 451 L CA 0.951 55.309 54.840 -0.804 0.000 0.820 451 L CB -0.549 40.814 42.059 -1.162 0.000 0.944 451 L HN 0.218 nan 8.230 nan 0.000 0.452 452 E N 0.580 120.492 120.200 -0.481 0.000 2.086 452 E HA -0.216 4.103 4.350 -0.052 0.000 0.200 452 E C -0.590 175.911 176.600 -0.166 0.000 1.012 452 E CA 1.739 58.005 56.400 -0.225 0.000 0.812 452 E CB -1.665 27.987 29.700 -0.079 0.000 0.743 452 E HN 0.423 nan 8.360 nan 0.000 0.453 453 P HA -0.143 nan 4.420 nan 0.000 0.216 453 P C 1.026 178.247 177.300 -0.133 0.000 1.153 453 P CA 1.454 64.481 63.100 -0.122 0.000 0.848 453 P CB 0.050 31.680 31.700 -0.116 0.000 0.787 454 R N -0.785 119.590 120.500 -0.207 0.000 2.073 454 R HA -0.051 4.258 4.340 -0.052 0.000 0.234 454 R C 2.685 178.911 176.300 -0.124 0.000 1.134 454 R CA 1.396 57.395 56.100 -0.169 0.000 0.952 454 R CB -0.852 29.339 30.300 -0.182 0.000 0.850 454 R HN 0.249 nan 8.270 nan 0.000 0.433 455 F N 0.631 120.438 119.950 -0.237 0.000 2.126 455 F HA -0.249 4.247 4.527 -0.052 0.000 0.299 455 F C 2.685 178.335 175.800 -0.250 0.000 1.096 455 F CA 0.303 58.119 58.000 -0.307 0.000 1.255 455 F CB -0.317 38.754 39.000 0.120 0.000 0.997 455 F HN 0.184 nan 8.300 nan 0.000 0.479 456 A N 0.613 123.469 122.820 0.059 0.000 1.978 456 A HA -0.192 4.097 4.320 -0.052 0.000 0.220 456 A C 2.028 179.548 177.584 -0.105 0.000 1.170 456 A CA 1.404 53.436 52.037 -0.008 0.000 0.636 456 A CB -0.557 18.441 19.000 -0.002 0.000 0.810 456 A HN 0.371 nan 8.150 nan 0.000 0.448 457 R N -1.778 118.639 120.500 -0.138 0.000 2.300 457 R HA 0.243 4.552 4.340 -0.052 0.000 0.199 457 R C 1.192 177.363 176.300 -0.214 0.000 0.920 457 R CA 0.525 56.535 56.100 -0.150 0.000 1.046 457 R CB 0.043 30.278 30.300 -0.110 0.000 0.984 457 R HN 0.683 nan 8.270 nan 0.000 0.493 458 G N 2.016 110.596 108.800 -0.366 0.000 2.136 458 G HA2 -0.314 3.614 3.960 -0.052 0.000 0.242 458 G HA3 -0.314 3.614 3.960 -0.052 0.000 0.242 458 G C -0.105 174.553 174.900 -0.403 0.000 0.989 458 G CA 0.064 44.916 45.100 -0.415 0.000 0.682 458 G HN 0.438 nan 8.290 nan 0.000 0.522 459 E N 0.041 119.994 120.200 -0.410 0.000 1.856 459 E HA 0.539 4.858 4.350 -0.052 0.000 0.263 459 E C 0.731 177.292 176.600 -0.065 0.000 1.137 459 E CA -0.753 55.559 56.400 -0.145 0.000 1.007 459 E CB -0.254 29.404 29.700 -0.071 0.000 1.117 459 E HN 0.413 nan 8.360 nan 0.000 0.438 460 F N 1.354 121.523 119.950 0.365 0.000 2.678 460 F HA 0.055 4.551 4.527 -0.051 0.000 0.291 460 F C 2.248 178.336 175.800 0.480 0.000 1.123 460 F CA -0.352 57.960 58.000 0.519 0.000 1.395 460 F CB 0.234 39.576 39.000 0.571 0.000 1.121 460 F HN 0.346 nan 8.300 nan 0.000 0.592 461 Q N 1.514 121.601 119.800 0.478 0.000 2.152 461 Q HA -0.134 4.175 4.340 -0.052 0.000 0.206 461 Q C -0.835 175.348 176.000 0.305 0.000 0.985 461 Q CA 2.073 58.080 55.803 0.338 0.000 0.863 461 Q CB -1.444 27.427 28.738 0.222 0.000 0.904 461 Q HN 0.161 nan 8.270 nan 0.000 0.422 462 P HA -0.133 nan 4.420 nan 0.000 0.215 462 P C 0.896 178.394 177.300 0.330 0.000 1.157 462 P CA 1.043 64.291 63.100 0.246 0.000 0.868 462 P CB -0.248 31.562 31.700 0.183 0.000 0.788 463 F N 0.268 120.382 119.950 0.272 0.000 2.134 463 F HA -0.136 4.359 4.527 -0.052 0.000 0.299 463 F C 1.914 177.955 175.800 0.401 0.000 1.097 463 F CA 1.064 59.230 58.000 0.277 0.000 1.264 463 F CB -1.133 38.058 39.000 0.319 0.000 1.001 463 F HN -0.237 nan 8.300 nan 0.000 0.479 464 L N 0.807 122.224 121.223 0.323 0.000 2.017 464 L HA -0.183 4.126 4.340 -0.052 0.000 0.208 464 L C 1.936 178.848 176.870 0.070 0.000 1.073 464 L CA 2.078 57.057 54.840 0.231 0.000 0.745 464 L CB -1.262 41.016 42.059 0.366 0.000 0.894 464 L HN 0.034 nan 8.230 nan 0.000 0.432 465 D N -1.410 119.065 120.400 0.125 0.000 2.182 465 D HA -0.258 4.351 4.640 -0.052 0.000 0.201 465 D C 1.777 178.085 176.300 0.013 0.000 0.986 465 D CA 1.337 55.375 54.000 0.064 0.000 0.847 465 D CB -0.392 40.466 40.800 0.097 0.000 0.942 465 D HN 0.603 nan 8.370 nan 0.000 0.467 466 W N 1.750 122.975 121.300 -0.126 0.000 2.355 466 W HA -0.222 4.406 4.660 -0.052 0.000 0.309 466 W C 2.470 178.812 176.519 -0.295 0.000 1.206 466 W CA 2.816 60.065 57.345 -0.161 0.000 1.284 466 W CB -0.518 28.875 29.460 -0.110 0.000 1.145 466 W HN 0.016 nan 8.180 nan 0.000 0.502 467 T N -1.221 113.184 114.554 -0.248 0.000 2.867 467 T HA -0.149 4.170 4.350 -0.052 0.000 0.268 467 T C 1.800 175.941 174.700 -0.932 0.000 1.057 467 T CA 1.342 63.062 62.100 -0.635 0.000 1.136 467 T CB -0.353 68.185 68.868 -0.551 0.000 0.874 467 T HN -0.008 nan 8.240 nan 0.000 0.466 468 R N 1.803 121.934 120.500 -0.616 0.000 2.073 468 R HA 0.319 4.628 4.340 -0.052 0.000 0.234 468 R C 2.889 179.004 176.300 -0.308 0.000 1.134 468 R CA 1.610 57.466 56.100 -0.406 0.000 0.952 468 R CB -1.291 28.935 30.300 -0.123 0.000 0.850 468 R HN 0.574 nan 8.270 nan 0.000 0.433 469 A N 0.437 123.068 122.820 -0.315 0.000 1.930 469 A HA -0.091 4.197 4.320 -0.052 0.000 0.217 469 A C 1.886 179.251 177.584 -0.366 0.000 1.175 469 A CA 1.222 53.095 52.037 -0.274 0.000 0.627 469 A CB -0.189 18.669 19.000 -0.237 0.000 0.815 469 A HN 0.113 nan 8.150 nan 0.000 0.443 470 R N -1.167 118.956 120.500 -0.629 0.000 2.189 470 R HA 0.300 4.609 4.340 -0.052 0.000 0.203 470 R C 1.467 177.462 176.300 -0.508 0.000 1.012 470 R CA 0.933 56.636 56.100 -0.661 0.000 1.015 470 R CB -0.095 29.486 30.300 -1.197 0.000 0.938 470 R HN 0.592 nan 8.270 nan 0.000 0.472 471 I N -1.066 119.172 120.570 -0.553 0.000 3.518 471 I HA 0.007 4.146 4.170 -0.052 0.000 0.260 471 I C 1.814 177.878 176.117 -0.088 0.000 1.148 471 I CA 0.052 61.115 61.300 -0.394 0.000 1.440 471 I CB -0.281 37.338 38.000 -0.636 0.000 1.485 471 I HN -0.022 nan 8.210 nan 0.000 0.456 472 H N 1.712 120.662 119.070 -0.201 0.000 2.353 472 H HA 0.018 4.543 4.556 -0.052 0.000 0.300 472 H C 2.283 177.662 175.328 0.084 0.000 1.090 472 H CA 1.350 57.431 56.048 0.055 0.000 1.327 472 H CB -0.747 29.071 29.762 0.093 0.000 1.383 472 H HN 0.333 nan 8.280 nan 0.000 0.508 473 A N 1.428 124.316 122.820 0.114 0.000 2.019 473 A HA -0.144 4.144 4.320 -0.052 0.000 0.219 473 A C 2.066 179.691 177.584 0.069 0.000 1.164 473 A CA 1.400 53.484 52.037 0.078 0.000 0.644 473 A CB -0.124 18.884 19.000 0.013 0.000 0.805 473 A HN 0.246 nan 8.150 nan 0.000 0.449 474 E N -0.399 119.840 120.200 0.066 0.000 2.418 474 E HA 0.115 4.433 4.350 -0.052 0.000 0.197 474 E C 1.652 178.268 176.600 0.026 0.000 1.026 474 E CA 0.599 57.033 56.400 0.058 0.000 0.862 474 E CB -0.804 28.991 29.700 0.158 0.000 0.799 474 E HN 0.631 nan 8.360 nan 0.000 0.518 475 G N 1.387 110.238 108.800 0.085 0.000 2.672 475 G HA2 -0.355 3.574 3.960 -0.052 0.000 0.324 475 G HA3 -0.355 3.574 3.960 -0.052 0.000 0.324 475 G C 0.608 175.532 174.900 0.039 0.000 1.286 475 G CA 0.750 45.882 45.100 0.052 0.000 1.004 475 G HN 0.318 nan 8.290 nan 0.000 0.548 476 S N 0.472 116.144 115.700 -0.047 0.000 2.506 476 S HA 0.291 4.730 4.470 -0.052 0.000 0.245 476 S C 1.579 176.089 174.600 -0.150 0.000 1.088 476 S CA 0.571 58.741 58.200 -0.050 0.000 1.099 476 S CB 0.747 63.909 63.200 -0.064 0.000 0.805 476 S HN 0.636 nan 8.310 nan 0.000 0.461 477 R N 0.668 121.022 120.500 -0.244 0.000 2.096 477 R HA 0.002 4.311 4.340 -0.052 0.000 0.235 477 R C -0.562 175.335 176.300 -0.672 0.000 1.127 477 R CA 1.325 57.106 56.100 -0.531 0.000 0.968 477 R CB 0.120 29.979 30.300 -0.736 0.000 0.861 477 R HN 0.299 nan 8.270 nan 0.000 0.440 478 F N -0.121 119.809 119.950 -0.033 0.000 2.556 478 F HA 0.455 4.950 4.527 -0.052 0.000 0.327 478 F C 0.404 176.201 175.800 -0.004 0.000 1.059 478 F CA -1.159 56.828 58.000 -0.022 0.000 0.953 478 F CB 0.774 39.763 39.000 -0.019 0.000 1.227 478 F HN -0.292 nan 8.300 nan 0.000 0.478 479 R N 2.682 123.302 120.500 0.200 0.000 2.694 479 R HA 0.130 4.439 4.340 -0.052 0.000 0.268 479 R C -1.537 174.843 176.300 0.133 0.000 1.061 479 R CA -1.558 54.617 56.100 0.125 0.000 1.133 479 R CB 0.274 30.630 30.300 0.095 0.000 1.020 479 R HN 0.303 nan 8.270 nan 0.000 0.475 480 P HA -0.215 nan 4.420 nan 0.000 0.216 480 P C 1.065 178.364 177.300 -0.001 0.000 1.153 480 P CA 1.442 64.604 63.100 0.103 0.000 0.858 480 P CB 0.122 31.921 31.700 0.165 0.000 0.789 481 R N 0.124 120.635 120.500 0.018 0.000 2.081 481 R HA -0.081 4.228 4.340 -0.052 0.000 0.235 481 R C 2.193 178.453 176.300 -0.067 0.000 1.131 481 R CA 1.451 57.527 56.100 -0.039 0.000 0.960 481 R CB -0.734 29.584 30.300 0.031 0.000 0.856 481 R HN -0.009 nan 8.270 nan 0.000 0.436 482 V N 1.474 121.379 119.914 -0.016 0.000 2.427 482 V HA -0.237 3.852 4.120 -0.052 0.000 0.248 482 V C 2.386 178.402 176.094 -0.131 0.000 1.051 482 V CA 1.604 63.873 62.300 -0.052 0.000 1.048 482 V CB -0.483 31.354 31.823 0.023 0.000 0.666 482 V HN 0.411 nan 8.190 nan 0.000 0.456 483 L N -0.141 121.055 121.223 -0.045 0.000 2.012 483 L HA -0.184 4.125 4.340 -0.052 0.000 0.210 483 L C 2.474 179.319 176.870 -0.043 0.000 1.073 483 L CA 1.815 56.631 54.840 -0.040 0.000 0.748 483 L CB -0.200 41.926 42.059 0.111 0.000 0.891 483 L HN 0.206 nan 8.230 nan 0.000 0.431 484 V N 0.212 120.064 119.914 -0.103 0.000 2.332 484 V HA -0.307 3.781 4.120 -0.052 0.000 0.248 484 V C 2.354 178.358 176.094 -0.150 0.000 1.055 484 V CA 2.149 64.316 62.300 -0.222 0.000 1.038 484 V CB -0.582 30.877 31.823 -0.607 0.000 0.651 484 V HN 0.517 nan 8.190 nan 0.000 0.450 485 E N -0.219 119.894 120.200 -0.144 0.000 2.106 485 E HA -0.176 4.143 4.350 -0.052 0.000 0.192 485 E C 2.445 178.983 176.600 -0.104 0.000 0.984 485 E CA 0.918 57.254 56.400 -0.107 0.000 0.806 485 E CB -0.183 29.461 29.700 -0.094 0.000 0.750 485 E HN 0.542 nan 8.360 nan 0.000 0.458 486 R N 0.356 120.757 120.500 -0.166 0.000 2.115 486 R HA -0.061 4.248 4.340 -0.052 0.000 0.230 486 R C 2.280 178.509 176.300 -0.119 0.000 1.111 486 R CA 0.861 56.836 56.100 -0.209 0.000 0.976 486 R CB -0.017 30.017 30.300 -0.444 0.000 0.870 486 R HN 0.056 nan 8.270 nan 0.000 0.445 487 V N 0.079 119.964 119.914 -0.048 0.000 2.500 487 V HA -0.133 3.956 4.120 -0.052 0.000 0.243 487 V C 2.356 178.537 176.094 0.145 0.000 1.039 487 V CA 2.116 64.444 62.300 0.047 0.000 1.053 487 V CB -0.053 31.856 31.823 0.144 0.000 0.695 487 V HN 0.491 nan 8.190 nan 0.000 0.463 488 T N -3.010 111.616 114.554 0.120 0.000 3.037 488 T HA 0.283 4.602 4.350 -0.052 0.000 0.252 488 T C 1.629 176.358 174.700 0.048 0.000 1.073 488 T CA 1.084 63.251 62.100 0.111 0.000 1.091 488 T CB 0.694 69.592 68.868 0.050 0.000 0.935 488 T HN 0.952 nan 8.240 nan 0.000 0.488 489 G N 1.148 109.953 108.800 0.008 0.000 2.179 489 G HA2 -0.201 3.728 3.960 -0.052 0.000 0.260 489 G HA3 -0.201 3.728 3.960 -0.052 0.000 0.260 489 G C -0.269 174.625 174.900 -0.011 0.000 0.977 489 G CA 0.255 45.352 45.100 -0.004 0.000 0.641 489 G HN 0.710 nan 8.290 nan 0.000 0.533 490 E N -0.273 119.916 120.200 -0.019 0.000 2.312 490 E HA 0.713 5.031 4.350 -0.052 0.000 0.267 490 E C 0.225 176.802 176.600 -0.039 0.000 0.894 490 E CA -0.489 55.899 56.400 -0.019 0.000 0.773 490 E CB 1.926 31.622 29.700 -0.006 0.000 1.241 490 E HN 0.634 nan 8.360 nan 0.000 0.432 491 A N 2.431 125.239 122.820 -0.020 0.000 2.304 491 A HA 0.440 4.729 4.320 -0.052 0.000 0.271 491 A C -2.157 175.427 177.584 -0.001 0.000 1.091 491 A CA -1.370 50.657 52.037 -0.017 0.000 0.812 491 A CB -0.314 18.689 19.000 0.006 0.000 1.056 491 A HN 0.407 nan 8.150 nan 0.000 0.489 492 P HA 0.061 nan 4.420 nan 0.000 0.261 492 P C -0.307 177.041 177.300 0.080 0.000 1.173 492 P CA 0.680 63.846 63.100 0.111 0.000 0.760 492 P CB 0.768 32.622 31.700 0.257 0.000 0.783 493 S N 1.547 117.289 115.700 0.071 0.000 2.579 493 S HA 0.589 5.028 4.470 -0.052 0.000 0.272 493 S C 0.518 175.147 174.600 0.048 0.000 1.141 493 S CA -0.126 58.104 58.200 0.050 0.000 0.843 493 S CB 1.297 64.526 63.200 0.048 0.000 1.122 493 S HN 0.364 nan 8.310 nan 0.000 0.468 494 A N 2.656 125.500 122.820 0.040 0.000 2.195 494 A HA 0.262 4.551 4.320 -0.052 0.000 0.210 494 A C 1.843 179.508 177.584 0.135 0.000 1.165 494 A CA 0.120 52.197 52.037 0.067 0.000 0.806 494 A CB -0.226 18.785 19.000 0.017 0.000 0.847 494 A HN 0.825 nan 8.150 nan 0.000 0.482 495 R N 0.145 120.703 120.500 0.096 0.000 2.075 495 R HA -0.088 4.220 4.340 -0.052 0.000 0.232 495 R C -0.808 175.560 176.300 0.114 0.000 1.126 495 R CA 1.644 57.798 56.100 0.090 0.000 0.963 495 R CB -1.419 28.918 30.300 0.061 0.000 0.858 495 R HN 0.350 nan 8.270 nan 0.000 0.435 496 P HA -0.161 nan 4.420 nan 0.000 0.217 496 P C 0.964 178.394 177.300 0.217 0.000 1.150 496 P CA 1.023 64.211 63.100 0.147 0.000 0.832 496 P CB -0.039 31.739 31.700 0.130 0.000 0.787 497 F N 0.063 120.070 119.950 0.095 0.000 2.113 497 F HA -0.108 4.388 4.527 -0.052 0.000 0.297 497 F C 1.921 177.833 175.800 0.186 0.000 1.103 497 F CA 1.381 59.469 58.000 0.147 0.000 1.248 497 F CB -0.941 38.105 39.000 0.076 0.000 0.999 497 F HN -0.265 nan 8.300 nan 0.000 0.475 498 L N -0.165 121.103 121.223 0.074 0.000 2.083 498 L HA -0.178 4.131 4.340 -0.052 0.000 0.209 498 L C 2.772 179.607 176.870 -0.059 0.000 1.083 498 L CA 1.123 55.932 54.840 -0.051 0.000 0.752 498 L CB -1.140 40.940 42.059 0.034 0.000 0.899 498 L HN 0.241 nan 8.230 nan 0.000 0.433 499 A N -0.447 122.385 122.820 0.019 0.000 1.877 499 A HA -0.294 3.995 4.320 -0.052 0.000 0.216 499 A C 2.205 179.800 177.584 0.018 0.000 1.186 499 A CA 1.737 53.789 52.037 0.025 0.000 0.620 499 A CB -0.929 18.107 19.000 0.061 0.000 0.822 499 A HN 0.505 nan 8.150 nan 0.000 0.443 500 Y N 0.719 120.974 120.300 -0.076 0.000 2.097 500 Y HA -0.214 4.304 4.550 -0.052 0.000 0.282 500 Y C 1.901 177.731 175.900 -0.117 0.000 1.152 500 Y CA 1.975 60.021 58.100 -0.089 0.000 1.136 500 Y CB -0.530 37.870 38.460 -0.099 0.000 0.975 500 Y HN 0.203 nan 8.280 nan 0.000 0.498 501 L N 0.145 121.048 121.223 -0.533 0.000 2.017 501 L HA -0.206 4.103 4.340 -0.052 0.000 0.208 501 L C 2.436 179.204 176.870 -0.170 0.000 1.073 501 L CA 1.956 56.510 54.840 -0.476 0.000 0.745 501 L CB -0.662 41.137 42.059 -0.433 0.000 0.894 501 L HN 0.285 nan 8.230 nan 0.000 0.432 502 E N 0.008 120.127 120.200 -0.136 0.000 2.110 502 E HA -0.259 4.060 4.350 -0.052 0.000 0.193 502 E C 2.149 178.714 176.600 -0.057 0.000 0.988 502 E CA 1.090 57.454 56.400 -0.061 0.000 0.804 502 E CB -0.045 29.626 29.700 -0.049 0.000 0.745 502 E HN 0.333 nan 8.360 nan 0.000 0.458 503 K N 1.500 121.843 120.400 -0.094 0.000 2.031 503 K HA -0.178 4.111 4.320 -0.052 0.000 0.205 503 K C 2.198 178.717 176.600 -0.135 0.000 1.049 503 K CA 1.204 57.440 56.287 -0.086 0.000 0.939 503 K CB 0.028 32.492 32.500 -0.059 0.000 0.717 503 K HN -0.095 nan 8.250 nan 0.000 0.438 504 K N -0.319 119.930 120.400 -0.251 0.000 2.026 504 K HA -0.175 4.114 4.320 -0.052 0.000 0.208 504 K C 1.763 178.108 176.600 -0.426 0.000 1.048 504 K CA 1.658 57.715 56.287 -0.382 0.000 0.929 504 K CB -0.156 31.949 32.500 -0.659 0.000 0.713 504 K HN 0.169 nan 8.250 nan 0.000 0.439 505 Y N -0.175 120.054 120.300 -0.119 0.000 2.544 505 Y HA 0.141 4.660 4.550 -0.052 0.000 0.286 505 Y C 2.033 177.958 175.900 0.042 0.000 1.141 505 Y CA 0.486 58.598 58.100 0.020 0.000 1.299 505 Y CB 0.078 38.564 38.460 0.044 0.000 1.030 505 Y HN 0.192 nan 8.280 nan 0.000 0.543 506 A N -0.065 122.791 122.820 0.061 0.000 2.014 506 A HA 0.018 4.306 4.320 -0.052 0.000 0.218 506 A C 2.336 179.911 177.584 -0.016 0.000 1.163 506 A CA 1.408 53.466 52.037 0.035 0.000 0.652 506 A CB -0.746 18.254 19.000 0.000 0.000 0.808 506 A HN 0.357 nan 8.150 nan 0.000 0.449 507 A N -0.372 122.402 122.820 -0.076 0.000 1.898 507 A HA 0.167 4.456 4.320 -0.052 0.000 0.214 507 A C 2.106 179.560 177.584 -0.217 0.000 1.183 507 A CA 1.112 53.073 52.037 -0.127 0.000 0.622 507 A CB -0.414 18.505 19.000 -0.134 0.000 0.824 507 A HN 0.420 nan 8.150 nan 0.000 0.444 508 L N -1.985 119.067 121.223 -0.285 0.000 2.068 508 L HA 0.001 4.310 4.340 -0.052 0.000 0.204 508 L C 1.017 177.466 176.870 -0.701 0.000 1.076 508 L CA 0.626 55.094 54.840 -0.620 0.000 0.753 508 L CB -0.408 41.284 42.059 -0.612 0.000 0.910 508 L HN 0.395 nan 8.230 nan 0.000 0.439 509 Y N 0.000 120.215 120.300 -0.141 0.000 2.660 509 Y HA 0.000 4.519 4.550 -0.052 0.000 0.201 509 Y CA 0.000 58.103 58.100 0.005 0.000 1.940 509 Y CB 0.000 38.538 38.460 0.130 0.000 1.050 509 Y HN 0.000 nan 8.280 nan 0.000 0.758