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 2der_1_A DATA FIRST_RESID 5 DATA SEQUENCE AKKVIVGMSG GVDSSVSAWL LQQQGYQVEG LFMKNWEEDD GEEYCTAAAD DATA SEQUENCE LADAQAVCDK LGIELHTVNF AAEYWDNVFE LFLAEYKAGR TPNPDILCNK DATA SEQUENCE EIKFKAFLEF AAEDLGADYI ATGHYVRRAD VDGKSRLLRG LDSNKDQSYF DATA SEQUENCE LYTLSHEQIA QSLFPVGELE KPQVRKIAED LGLVXXXXXX XXXXXXXXXX DATA SEQUENCE KFREFLGRYL PAQPGKIITV DGDEIGEHQG LMYHTLGQRK GLGIGGTKEG DATA SEQUENCE TEEPWYVVDK DVENNILVVA QGHEHPRLMS VGLIAQQLHW VDREPFTGTM DATA SEQUENCE RCTVKTRYRQ TDIPCTVKAL DDDRIEVIFD EPVAAVTPGQ SAVFYNGEVC DATA SEQUENCE LGGGIIEQRL PLPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 A HA 0.000 nan 4.320 nan 0.000 0.244 5 A C 0.000 177.493 177.584 -0.152 0.000 1.274 5 A CA 0.000 51.957 52.037 -0.134 0.000 0.836 5 A CB 0.000 18.916 19.000 -0.140 0.000 0.831 6 K N 1.496 121.776 120.400 -0.199 0.000 2.371 6 K HA -0.186 4.134 4.320 -0.000 0.000 0.242 6 K C 0.039 176.609 176.600 -0.050 0.000 1.060 6 K CA 1.114 57.276 56.287 -0.207 0.000 1.136 6 K CB -0.003 32.289 32.500 -0.346 0.000 0.721 6 K HN 0.748 nan 8.250 nan 0.000 0.481 7 K N 2.285 122.654 120.400 -0.051 0.000 2.234 7 K HA 0.321 4.641 4.320 -0.000 0.000 0.277 7 K C -0.903 175.717 176.600 0.033 0.000 1.038 7 K CA -0.579 55.718 56.287 0.017 0.000 0.888 7 K CB 1.249 33.737 32.500 -0.019 0.000 1.091 7 K HN 0.316 nan 8.250 nan 0.000 0.467 8 V N 6.756 126.727 119.914 0.095 0.000 2.487 8 V HA 0.392 4.512 4.120 -0.000 0.000 0.298 8 V C -0.872 175.258 176.094 0.061 0.000 1.028 8 V CA -0.935 61.411 62.300 0.077 0.000 0.860 8 V CB 1.401 33.236 31.823 0.019 0.000 0.991 8 V HN 0.662 nan 8.190 nan 0.000 0.427 9 I N 7.707 128.330 120.570 0.089 0.000 2.325 9 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 9 I C 0.121 176.368 176.117 0.216 0.000 1.019 9 I CA -0.070 61.300 61.300 0.118 0.000 1.302 9 I CB 1.437 39.483 38.000 0.077 0.000 1.401 9 I HN 0.532 nan 8.210 nan 0.000 0.485 10 V N 6.490 126.512 119.914 0.180 0.000 2.347 10 V HA 0.752 4.872 4.120 -0.000 0.000 0.280 10 V C 0.508 176.768 176.094 0.276 0.000 1.021 10 V CA -0.362 62.049 62.300 0.184 0.000 0.847 10 V CB 1.075 32.946 31.823 0.081 0.000 0.990 10 V HN 0.853 nan 8.190 nan 0.000 0.444 11 G N 5.931 114.990 108.800 0.431 0.000 2.365 11 G HA2 0.445 4.405 3.960 -0.000 0.000 0.249 11 G HA3 0.445 4.405 3.960 -0.000 0.000 0.249 11 G C -0.587 174.437 174.900 0.208 0.000 1.288 11 G CA -0.386 44.989 45.100 0.459 0.000 0.887 11 G HN 0.818 nan 8.290 nan 0.000 0.524 12 M N 1.806 121.509 119.600 0.171 0.000 2.383 12 M HA 0.276 4.756 4.480 -0.000 0.000 0.325 12 M C 1.060 177.396 176.300 0.060 0.000 1.092 12 M CA -0.497 54.882 55.300 0.133 0.000 0.961 12 M CB 2.431 35.140 32.600 0.182 0.000 1.672 12 M HN 0.551 nan 8.290 nan 0.000 0.438 13 S N 0.279 115.988 115.700 0.016 0.000 2.511 13 S HA 0.367 4.837 4.470 -0.000 0.000 0.214 13 S C 1.175 175.835 174.600 0.099 0.000 0.997 13 S CA 0.165 58.322 58.200 -0.072 0.000 0.908 13 S CB 0.395 63.543 63.200 -0.088 0.000 0.803 13 S HN 1.188 nan 8.310 nan 0.000 0.504 14 G N 0.846 109.727 108.800 0.136 0.000 2.141 14 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.231 14 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.231 14 G C 0.608 175.547 174.900 0.066 0.000 0.984 14 G CA -0.018 45.161 45.100 0.132 0.000 0.660 14 G HN 0.920 nan 8.290 nan 0.000 0.525 15 G N -0.957 107.869 108.800 0.042 0.000 2.522 15 G HA2 0.459 4.419 3.960 -0.000 0.000 0.223 15 G HA3 0.459 4.419 3.960 -0.000 0.000 0.223 15 G C 1.208 176.119 174.900 0.019 0.000 1.565 15 G CA 1.734 46.844 45.100 0.016 0.000 1.053 15 G HN 0.907 nan 8.290 nan 0.000 0.547 16 V N -0.848 119.073 119.914 0.013 0.000 3.159 16 V HA 0.100 4.220 4.120 -0.000 0.000 0.234 16 V C 1.874 177.982 176.094 0.023 0.000 1.313 16 V CA 0.750 63.058 62.300 0.014 0.000 1.271 16 V CB 0.316 32.144 31.823 0.009 0.000 1.053 16 V HN 0.462 nan 8.190 nan 0.000 0.476 17 D N 1.241 121.654 120.400 0.021 0.000 2.317 17 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 17 D C 2.231 178.554 176.300 0.039 0.000 0.966 17 D CA 1.564 55.581 54.000 0.028 0.000 0.876 17 D CB 0.171 40.986 40.800 0.024 0.000 0.927 17 D HN 0.581 nan 8.370 nan 0.000 0.519 18 S N -0.111 115.611 115.700 0.037 0.000 2.406 18 S HA -0.032 4.437 4.470 -0.000 0.000 0.224 18 S C 2.120 176.766 174.600 0.076 0.000 1.030 18 S CA 0.511 58.744 58.200 0.055 0.000 0.958 18 S CB 0.011 63.241 63.200 0.051 0.000 0.811 18 S HN -0.006 nan 8.310 nan 0.000 0.489 19 S N 2.259 118.000 115.700 0.069 0.000 2.361 19 S HA -0.053 4.417 4.470 -0.000 0.000 0.214 19 S C 1.981 176.650 174.600 0.116 0.000 1.034 19 S CA 1.512 59.760 58.200 0.081 0.000 1.025 19 S CB -0.923 62.305 63.200 0.047 0.000 0.996 19 S HN 0.412 nan 8.310 nan 0.000 0.422 20 V N 1.738 121.709 119.914 0.096 0.000 2.660 20 V HA -0.160 3.960 4.120 -0.000 0.000 0.257 20 V C 2.438 178.653 176.094 0.200 0.000 1.088 20 V CA 1.706 64.100 62.300 0.156 0.000 1.106 20 V CB -0.966 30.911 31.823 0.089 0.000 0.686 20 V HN 0.449 nan 8.190 nan 0.000 0.481 21 S N -0.416 115.358 115.700 0.124 0.000 2.368 21 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 21 S C 2.197 176.847 174.600 0.084 0.000 1.029 21 S CA 1.388 59.641 58.200 0.088 0.000 0.988 21 S CB -0.226 63.013 63.200 0.065 0.000 0.838 21 S HN 0.656 nan 8.310 nan 0.000 0.462 22 A N 0.222 123.109 122.820 0.112 0.000 1.858 22 A HA -0.133 4.186 4.320 -0.000 0.000 0.216 22 A C 1.871 179.536 177.584 0.134 0.000 1.190 22 A CA 1.617 53.716 52.037 0.103 0.000 0.617 22 A CB -1.387 17.688 19.000 0.125 0.000 0.827 22 A HN 0.798 nan 8.150 nan 0.000 0.443 23 W N 0.786 122.098 121.300 0.019 0.000 2.325 23 W HA -0.194 4.466 4.660 -0.000 0.000 0.299 23 W C 1.727 178.261 176.519 0.025 0.000 1.215 23 W CA 1.959 59.319 57.345 0.024 0.000 1.244 23 W CB -0.264 29.209 29.460 0.021 0.000 1.140 23 W HN 0.275 nan 8.180 nan 0.000 0.523 24 L N -0.149 121.101 121.223 0.044 0.000 1.994 24 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 24 L C 2.625 179.368 176.870 -0.211 0.000 1.071 24 L CA 1.543 56.281 54.840 -0.170 0.000 0.745 24 L CB -1.223 40.846 42.059 0.016 0.000 0.892 24 L HN 0.043 nan 8.230 nan 0.000 0.431 25 L N -0.532 120.617 121.223 -0.124 0.000 1.990 25 L HA -0.315 4.025 4.340 -0.000 0.000 0.213 25 L C 2.745 179.608 176.870 -0.012 0.000 1.072 25 L CA 1.660 56.419 54.840 -0.136 0.000 0.755 25 L CB -0.658 41.251 42.059 -0.249 0.000 0.889 25 L HN 0.412 nan 8.230 nan 0.000 0.432 26 Q N -0.277 119.486 119.800 -0.062 0.000 2.062 26 Q HA -0.283 4.057 4.340 -0.000 0.000 0.209 26 Q C 2.187 178.106 176.000 -0.136 0.000 0.996 26 Q CA 1.850 57.623 55.803 -0.050 0.000 0.859 26 Q CB -0.046 28.657 28.738 -0.059 0.000 0.920 26 Q HN 0.439 nan 8.270 nan 0.000 0.415 27 Q N -0.190 119.392 119.800 -0.364 0.000 2.508 27 Q HA -0.143 4.197 4.340 -0.000 0.000 0.214 27 Q C 1.313 177.192 176.000 -0.202 0.000 0.979 27 Q CA 1.108 56.660 55.803 -0.419 0.000 0.911 27 Q CB 0.143 28.367 28.738 -0.857 0.000 0.969 27 Q HN 0.620 nan 8.270 nan 0.000 0.504 28 Q N -0.985 118.772 119.800 -0.072 0.000 2.319 28 Q HA 0.204 4.544 4.340 -0.000 0.000 0.202 28 Q C 0.256 176.283 176.000 0.046 0.000 0.896 28 Q CA 0.353 56.180 55.803 0.041 0.000 0.942 28 Q CB 0.927 29.783 28.738 0.196 0.000 1.083 28 Q HN 0.411 nan 8.270 nan 0.000 0.510 29 G N 1.177 109.998 108.800 0.034 0.000 2.520 29 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.264 29 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.264 29 G C -0.907 173.952 174.900 -0.068 0.000 1.140 29 G CA -0.403 44.678 45.100 -0.031 0.000 1.012 29 G HN 0.193 nan 8.290 nan 0.000 0.511 30 Y N -0.927 119.347 120.300 -0.044 0.000 2.509 30 Y HA 0.602 5.152 4.550 -0.000 0.000 0.341 30 Y C 0.603 176.487 175.900 -0.027 0.000 1.038 30 Y CA -0.871 57.210 58.100 -0.032 0.000 1.089 30 Y CB 1.650 40.103 38.460 -0.013 0.000 1.241 30 Y HN 0.205 nan 8.280 nan 0.000 0.468 31 Q N 2.878 122.763 119.800 0.142 0.000 2.423 31 Q HA 0.325 4.665 4.340 -0.000 0.000 0.235 31 Q C -1.334 174.733 176.000 0.111 0.000 1.100 31 Q CA -0.333 55.519 55.803 0.081 0.000 0.908 31 Q CB 0.700 29.458 28.738 0.033 0.000 1.312 31 Q HN 0.576 nan 8.270 nan 0.000 0.497 32 V N 3.758 123.735 119.914 0.105 0.000 2.409 32 V HA 0.498 4.618 4.120 -0.000 0.000 0.291 32 V C -0.970 175.180 176.094 0.092 0.000 1.020 32 V CA -0.345 62.008 62.300 0.089 0.000 0.848 32 V CB 1.688 33.551 31.823 0.067 0.000 0.990 32 V HN 0.709 nan 8.190 nan 0.000 0.430 33 E N 3.953 124.215 120.200 0.103 0.000 2.299 33 E HA 0.796 5.146 4.350 -0.000 0.000 0.260 33 E C -0.077 176.621 176.600 0.162 0.000 0.944 33 E CA -0.614 55.877 56.400 0.153 0.000 0.815 33 E CB 2.160 32.000 29.700 0.233 0.000 1.252 33 E HN 0.948 nan 8.360 nan 0.000 0.418 34 G N 0.312 109.241 108.800 0.214 0.000 2.454 34 G HA2 0.590 4.550 3.960 -0.000 0.000 0.329 34 G HA3 0.590 4.550 3.960 -0.000 0.000 0.329 34 G C -1.683 173.358 174.900 0.235 0.000 1.177 34 G CA -0.419 44.800 45.100 0.197 0.000 0.951 34 G HN 0.231 nan 8.290 nan 0.000 0.485 35 L N 0.820 122.147 121.223 0.173 0.000 2.409 35 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 35 L C -1.727 175.247 176.870 0.173 0.000 0.980 35 L CA -1.093 53.819 54.840 0.120 0.000 0.826 35 L CB 1.820 43.786 42.059 -0.156 0.000 1.268 35 L HN 0.456 nan 8.230 nan 0.000 0.407 36 F N 6.137 126.097 119.950 0.016 0.000 2.308 36 F HA 0.598 5.125 4.527 -0.000 0.000 0.370 36 F C -0.318 175.466 175.800 -0.026 0.000 1.100 36 F CA -0.665 57.345 58.000 0.017 0.000 1.108 36 F CB 0.850 39.853 39.000 0.005 0.000 1.293 36 F HN 0.488 nan 8.300 nan 0.000 0.478 37 M N 5.457 124.982 119.600 -0.126 0.000 2.255 37 M HA 0.284 4.764 4.480 -0.000 0.000 0.336 37 M C -0.507 175.716 176.300 -0.129 0.000 1.135 37 M CA -0.214 55.051 55.300 -0.058 0.000 1.145 37 M CB 1.137 33.870 32.600 0.221 0.000 1.473 37 M HN 0.476 nan 8.290 nan 0.000 0.462 38 K N 1.893 122.280 120.400 -0.021 0.000 2.559 38 K HA 0.316 4.636 4.320 -0.000 0.000 0.249 38 K C -0.743 175.884 176.600 0.045 0.000 0.958 38 K CA -0.473 55.831 56.287 0.028 0.000 0.901 38 K CB 0.758 33.309 32.500 0.085 0.000 1.124 38 K HN 0.675 nan 8.250 nan 0.000 0.437 39 N N 3.374 122.092 118.700 0.030 0.000 2.236 39 N HA 0.013 4.753 4.740 -0.000 0.000 0.196 39 N C -0.839 174.667 175.510 -0.006 0.000 1.114 39 N CA -0.034 53.032 53.050 0.026 0.000 0.859 39 N CB 0.487 38.920 38.487 -0.090 0.000 0.982 39 N HN 0.583 nan 8.380 nan 0.000 0.493 40 W N 1.276 122.460 121.300 -0.194 0.000 2.998 40 W HA 0.281 4.941 4.660 -0.000 0.000 0.335 40 W C -1.230 175.263 176.519 -0.043 0.000 1.110 40 W CA -0.510 56.745 57.345 -0.151 0.000 1.230 40 W CB 1.914 31.239 29.460 -0.225 0.000 1.405 40 W HN -0.235 nan 8.180 nan 0.000 0.493 41 E N 3.370 123.226 120.200 -0.573 0.000 2.044 41 E HA 0.153 4.503 4.350 -0.000 0.000 0.282 41 E C -0.247 176.109 176.600 -0.407 0.000 1.031 41 E CA -0.045 56.118 56.400 -0.395 0.000 0.824 41 E CB 0.598 30.052 29.700 -0.411 0.000 1.076 41 E HN 0.220 nan 8.360 nan 0.000 0.395 42 E N 2.538 122.707 120.200 -0.051 0.000 2.598 42 E HA -0.098 4.252 4.350 -0.000 0.000 0.273 42 E C 0.060 176.703 176.600 0.071 0.000 1.029 42 E CA 0.987 57.463 56.400 0.127 0.000 0.985 42 E CB 0.391 30.205 29.700 0.190 0.000 0.988 42 E HN 0.463 nan 8.360 nan 0.000 0.460 43 D N 0.048 120.565 120.400 0.195 0.000 2.318 43 D HA 0.041 4.681 4.640 -0.000 0.000 0.294 43 D C -0.544 175.840 176.300 0.141 0.000 1.091 43 D CA 0.108 54.198 54.000 0.150 0.000 0.883 43 D CB 0.531 41.473 40.800 0.237 0.000 1.545 43 D HN 0.323 nan 8.370 nan 0.000 0.513 44 D N 0.126 120.641 120.400 0.190 0.000 2.181 44 D HA 0.316 4.956 4.640 -0.000 0.000 0.248 44 D C 1.241 177.629 176.300 0.147 0.000 1.020 44 D CA -0.431 53.660 54.000 0.152 0.000 0.891 44 D CB 1.958 42.860 40.800 0.170 0.000 1.187 44 D HN -0.011 nan 8.370 nan 0.000 0.443 45 G N 0.921 109.788 108.800 0.112 0.000 2.598 45 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.215 45 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.215 45 G C 1.050 176.042 174.900 0.154 0.000 1.131 45 G CA 0.323 45.497 45.100 0.123 0.000 0.785 45 G HN 0.349 nan 8.290 nan 0.000 0.539 46 E N 0.922 121.201 120.200 0.131 0.000 2.158 46 E HA -0.045 4.304 4.350 -0.000 0.000 0.191 46 E C 2.016 178.690 176.600 0.123 0.000 0.982 46 E CA 0.585 57.053 56.400 0.114 0.000 0.823 46 E CB -0.111 29.650 29.700 0.101 0.000 0.766 46 E HN 0.561 nan 8.360 nan 0.000 0.468 47 E N 0.336 120.632 120.200 0.160 0.000 2.028 47 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 47 E C 1.975 178.671 176.600 0.160 0.000 0.984 47 E CA 0.730 57.230 56.400 0.167 0.000 0.800 47 E CB -0.251 29.596 29.700 0.244 0.000 0.758 47 E HN 0.178 nan 8.360 nan 0.000 0.448 48 Y N 0.997 121.348 120.300 0.084 0.000 2.081 48 Y HA -0.300 4.250 4.550 -0.000 0.000 0.280 48 Y C 2.104 178.035 175.900 0.052 0.000 1.163 48 Y CA 1.227 59.365 58.100 0.063 0.000 1.135 48 Y CB -0.582 37.903 38.460 0.042 0.000 0.970 48 Y HN 0.089 nan 8.280 nan 0.000 0.498 49 C N 1.256 120.598 119.300 0.070 0.000 2.470 49 C HA -0.065 4.395 4.460 -0.000 0.000 0.301 49 C C 1.815 176.769 174.990 -0.060 0.000 1.512 49 C CA 1.571 60.581 59.018 -0.013 0.000 1.678 49 C CB -2.305 25.483 27.740 0.080 0.000 1.551 49 C HN 0.764 nan 8.230 nan 0.000 0.602 50 T N -1.211 113.295 114.554 -0.080 0.000 3.272 50 T HA 0.195 4.545 4.350 -0.000 0.000 0.247 50 T C 2.157 176.823 174.700 -0.057 0.000 0.990 50 T CA 0.562 62.636 62.100 -0.044 0.000 1.213 50 T CB -0.675 68.190 68.868 -0.004 0.000 1.124 50 T HN 0.366 nan 8.240 nan 0.000 0.401 51 A N 2.131 124.920 122.820 -0.051 0.000 1.873 51 A HA 0.021 4.341 4.320 -0.000 0.000 0.218 51 A C 2.562 180.107 177.584 -0.066 0.000 1.193 51 A CA 2.503 54.554 52.037 0.023 0.000 0.629 51 A CB -1.404 17.623 19.000 0.045 0.000 0.826 51 A HN 0.553 nan 8.150 nan 0.000 0.447 52 A N -0.179 122.438 122.820 -0.337 0.000 1.869 52 A HA -0.027 4.293 4.320 -0.000 0.000 0.218 52 A C 2.567 180.023 177.584 -0.214 0.000 1.203 52 A CA 3.075 54.860 52.037 -0.420 0.000 0.638 52 A CB -1.365 17.182 19.000 -0.754 0.000 0.831 52 A HN 1.402 nan 8.150 nan 0.000 0.450 53 A N -0.853 121.871 122.820 -0.159 0.000 2.024 53 A HA -0.190 4.130 4.320 -0.000 0.000 0.220 53 A C 1.721 179.291 177.584 -0.023 0.000 1.164 53 A CA 1.981 53.971 52.037 -0.077 0.000 0.643 53 A CB -0.520 18.448 19.000 -0.053 0.000 0.806 53 A HN 0.572 nan 8.150 nan 0.000 0.451 54 D N -0.606 119.814 120.400 0.033 0.000 2.149 54 D HA -0.065 4.575 4.640 -0.000 0.000 0.206 54 D C 1.913 178.318 176.300 0.175 0.000 0.967 54 D CA 1.101 55.198 54.000 0.161 0.000 0.848 54 D CB -0.549 40.420 40.800 0.282 0.000 0.998 54 D HN 0.342 nan 8.370 nan 0.000 0.474 55 L N 1.646 122.837 121.223 -0.053 0.000 1.997 55 L HA -0.219 4.121 4.340 -0.000 0.000 0.216 55 L C 2.179 178.862 176.870 -0.313 0.000 1.074 55 L CA 2.238 56.668 54.840 -0.683 0.000 0.763 55 L CB -0.947 40.673 42.059 -0.732 0.000 0.890 55 L HN -0.009 nan 8.230 nan 0.000 0.434 56 A N -0.707 122.004 122.820 -0.182 0.000 1.873 56 A HA -0.275 4.045 4.320 -0.000 0.000 0.218 56 A C 2.055 179.603 177.584 -0.061 0.000 1.193 56 A CA 2.172 54.141 52.037 -0.113 0.000 0.629 56 A CB -1.061 17.888 19.000 -0.084 0.000 0.826 56 A HN 0.642 nan 8.150 nan 0.000 0.447 57 D N -0.125 120.263 120.400 -0.021 0.000 2.178 57 D HA -0.029 4.611 4.640 -0.000 0.000 0.202 57 D C 2.247 178.567 176.300 0.034 0.000 0.974 57 D CA 1.305 55.312 54.000 0.011 0.000 0.841 57 D CB -0.366 40.452 40.800 0.029 0.000 0.953 57 D HN 0.457 nan 8.370 nan 0.000 0.478 58 A N 1.124 123.982 122.820 0.063 0.000 1.851 58 A HA -0.268 4.052 4.320 -0.000 0.000 0.216 58 A C 2.216 179.825 177.584 0.042 0.000 1.195 58 A CA 1.988 54.097 52.037 0.120 0.000 0.622 58 A CB -0.710 18.444 19.000 0.256 0.000 0.831 58 A HN 0.126 nan 8.150 nan 0.000 0.444 59 Q N -0.291 119.486 119.800 -0.037 0.000 1.948 59 Q HA -0.071 4.269 4.340 -0.000 0.000 0.205 59 Q C 2.128 178.118 176.000 -0.017 0.000 0.992 59 Q CA 2.700 58.476 55.803 -0.046 0.000 0.849 59 Q CB -0.954 27.729 28.738 -0.092 0.000 0.918 59 Q HN 0.573 nan 8.270 nan 0.000 0.421 60 A N -0.330 122.476 122.820 -0.023 0.000 2.001 60 A HA -0.289 4.031 4.320 -0.000 0.000 0.224 60 A C 2.331 179.916 177.584 0.003 0.000 1.203 60 A CA 2.320 54.349 52.037 -0.012 0.000 0.667 60 A CB -1.285 17.706 19.000 -0.014 0.000 0.823 60 A HN 0.325 nan 8.150 nan 0.000 0.473 61 V N -1.404 118.520 119.914 0.016 0.000 2.255 61 V HA -0.283 3.837 4.120 -0.000 0.000 0.243 61 V C 2.614 178.732 176.094 0.040 0.000 1.038 61 V CA 1.929 64.246 62.300 0.029 0.000 1.008 61 V CB -0.988 30.862 31.823 0.046 0.000 0.645 61 V HN 0.730 nan 8.190 nan 0.000 0.449 62 C N 0.388 119.716 119.300 0.046 0.000 2.398 62 C HA -0.214 4.246 4.460 -0.000 0.000 0.279 62 C C 2.444 177.456 174.990 0.036 0.000 1.250 62 C CA 1.154 60.203 59.018 0.051 0.000 1.786 62 C CB -1.211 26.555 27.740 0.043 0.000 2.018 62 C HN 0.638 nan 8.230 nan 0.000 0.494 63 D N 0.494 120.906 120.400 0.020 0.000 2.084 63 D HA -0.107 4.533 4.640 -0.000 0.000 0.196 63 D C 2.114 178.428 176.300 0.024 0.000 0.985 63 D CA 1.163 55.171 54.000 0.013 0.000 0.826 63 D CB -0.552 40.248 40.800 0.001 0.000 0.978 63 D HN 0.323 nan 8.370 nan 0.000 0.456 64 K N 0.423 120.837 120.400 0.023 0.000 2.218 64 K HA -0.117 4.203 4.320 -0.000 0.000 0.205 64 K C 1.699 178.330 176.600 0.052 0.000 1.046 64 K CA 0.798 57.100 56.287 0.026 0.000 0.933 64 K CB -0.234 32.272 32.500 0.011 0.000 0.728 64 K HN 0.038 nan 8.250 nan 0.000 0.454 65 L N -1.118 120.149 121.223 0.073 0.000 2.463 65 L HA 0.309 4.649 4.340 -0.000 0.000 0.219 65 L C 0.700 177.626 176.870 0.093 0.000 1.088 65 L CA 0.865 55.776 54.840 0.118 0.000 0.849 65 L CB -0.189 41.959 42.059 0.149 0.000 1.012 65 L HN 0.329 nan 8.230 nan 0.000 0.468 66 G N 1.407 110.245 108.800 0.064 0.000 2.587 66 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.274 66 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.274 66 G C -0.201 174.730 174.900 0.052 0.000 1.046 66 G CA 0.439 45.568 45.100 0.048 0.000 1.308 66 G HN 0.421 nan 8.290 nan 0.000 0.529 67 I N -3.410 117.189 120.570 0.048 0.000 3.004 67 I HA 0.765 4.935 4.170 -0.000 0.000 0.305 67 I C -0.349 175.788 176.117 0.034 0.000 1.312 67 I CA -1.560 59.773 61.300 0.054 0.000 0.992 67 I CB 2.116 40.164 38.000 0.079 0.000 1.282 67 I HN 0.200 nan 8.210 nan 0.000 0.449 68 E N 2.503 122.722 120.200 0.032 0.000 2.283 68 E HA 0.404 4.754 4.350 -0.000 0.000 0.278 68 E C -1.621 174.966 176.600 -0.022 0.000 1.027 68 E CA -0.791 55.584 56.400 -0.042 0.000 0.843 68 E CB 1.806 31.443 29.700 -0.105 0.000 1.062 68 E HN 0.575 nan 8.360 nan 0.000 0.401 69 L N 5.069 126.247 121.223 -0.075 0.000 2.272 69 L HA 0.327 4.667 4.340 -0.000 0.000 0.289 69 L C -0.957 175.864 176.870 -0.081 0.000 1.032 69 L CA -0.136 54.705 54.840 0.002 0.000 0.810 69 L CB 0.803 42.865 42.059 0.004 0.000 1.205 69 L HN 0.628 nan 8.230 nan 0.000 0.422 70 H N 1.998 121.094 119.070 0.044 0.000 2.645 70 H HA 0.798 5.354 4.556 -0.000 0.000 0.308 70 H C -0.491 174.861 175.328 0.040 0.000 1.495 70 H CA -0.547 55.527 56.048 0.043 0.000 1.518 70 H CB 1.202 31.007 29.762 0.072 0.000 1.752 70 H HN 0.584 nan 8.280 nan 0.000 0.797 71 T N 0.685 115.340 114.554 0.167 0.000 3.193 71 T HA 0.481 4.831 4.350 -0.000 0.000 0.332 71 T C -1.389 173.238 174.700 -0.122 0.000 1.208 71 T CA -0.676 61.451 62.100 0.045 0.000 1.080 71 T CB 0.931 69.801 68.868 0.003 0.000 1.180 71 T HN 0.351 nan 8.240 nan 0.000 0.469 72 V N 2.536 122.271 119.914 -0.298 0.000 3.130 72 V HA 0.710 4.830 4.120 -0.000 0.000 0.310 72 V C -0.667 175.057 176.094 -0.617 0.000 1.158 72 V CA -1.104 60.783 62.300 -0.689 0.000 1.029 72 V CB 2.420 33.391 31.823 -1.421 0.000 1.057 72 V HN 0.847 nan 8.190 nan 0.000 0.436 73 N N 0.588 118.868 118.700 -0.700 0.000 2.576 73 N HA 0.365 5.105 4.740 -0.000 0.000 0.269 73 N C -1.119 174.162 175.510 -0.382 0.000 1.058 73 N CA -0.295 52.511 53.050 -0.408 0.000 0.860 73 N CB 1.194 39.558 38.487 -0.205 0.000 1.249 73 N HN 0.541 nan 8.380 nan 0.000 0.525 74 F N 1.775 121.709 119.950 -0.027 0.000 2.641 74 F HA 0.345 4.872 4.527 -0.000 0.000 0.302 74 F C 2.135 178.006 175.800 0.118 0.000 1.098 74 F CA -0.282 57.740 58.000 0.036 0.000 1.318 74 F CB -0.160 38.873 39.000 0.056 0.000 1.035 74 F HN 0.585 nan 8.300 nan 0.000 0.551 75 A N 0.363 123.304 122.820 0.202 0.000 2.093 75 A HA -0.153 4.167 4.320 -0.000 0.000 0.222 75 A C 2.377 180.119 177.584 0.263 0.000 1.162 75 A CA 2.120 54.268 52.037 0.184 0.000 0.655 75 A CB -0.699 18.317 19.000 0.027 0.000 0.805 75 A HN 0.357 nan 8.150 nan 0.000 0.461 76 A N -0.989 121.970 122.820 0.232 0.000 1.924 76 A HA 0.197 4.517 4.320 -0.000 0.000 0.211 76 A C 1.794 179.562 177.584 0.306 0.000 1.198 76 A CA 1.157 53.337 52.037 0.238 0.000 0.657 76 A CB -0.223 18.858 19.000 0.135 0.000 0.852 76 A HN 0.399 nan 8.150 nan 0.000 0.454 77 E N -0.780 119.596 120.200 0.293 0.000 2.085 77 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 77 E C 1.646 178.402 176.600 0.259 0.000 0.994 77 E CA 1.591 58.135 56.400 0.241 0.000 0.801 77 E CB -0.505 29.321 29.700 0.209 0.000 0.743 77 E HN 0.732 nan 8.360 nan 0.000 0.453 78 Y N 0.199 120.640 120.300 0.236 0.000 2.036 78 Y HA -0.301 4.249 4.550 -0.000 0.000 0.273 78 Y C 2.212 178.308 175.900 0.326 0.000 1.135 78 Y CA 2.095 60.348 58.100 0.255 0.000 1.106 78 Y CB -0.531 38.105 38.460 0.295 0.000 0.976 78 Y HN 0.236 nan 8.280 nan 0.000 0.483 79 W N 1.769 123.289 121.300 0.366 0.000 2.290 79 W HA -0.317 4.343 4.660 -0.000 0.000 0.318 79 W C 1.515 178.154 176.519 0.201 0.000 1.248 79 W CA 2.583 60.106 57.345 0.297 0.000 1.263 79 W CB -0.492 29.076 29.460 0.181 0.000 1.147 79 W HN 0.342 nan 8.180 nan 0.000 0.494 80 D N -0.371 120.227 120.400 0.329 0.000 2.110 80 D HA -0.156 4.484 4.640 -0.000 0.000 0.202 80 D C 1.541 177.871 176.300 0.051 0.000 0.975 80 D CA 1.394 55.508 54.000 0.190 0.000 0.839 80 D CB -0.926 40.008 40.800 0.224 0.000 0.996 80 D HN 0.183 nan 8.370 nan 0.000 0.464 81 N N -0.107 118.617 118.700 0.039 0.000 2.494 81 N HA -0.072 4.668 4.740 -0.000 0.000 0.182 81 N C 1.554 177.011 175.510 -0.088 0.000 1.076 81 N CA 0.485 53.528 53.050 -0.013 0.000 0.908 81 N CB 0.666 39.158 38.487 0.008 0.000 0.967 81 N HN 0.226 nan 8.380 nan 0.000 0.449 82 V N -4.143 115.652 119.914 -0.199 0.000 3.221 82 V HA 0.324 4.444 4.120 -0.000 0.000 0.254 82 V C 1.102 177.031 176.094 -0.274 0.000 1.586 82 V CA -0.271 61.866 62.300 -0.272 0.000 1.074 82 V CB -0.520 31.055 31.823 -0.415 0.000 0.912 82 V HN 0.008 nan 8.190 nan 0.000 0.426 83 F N 1.625 121.267 119.950 -0.515 0.000 2.270 83 F HA 0.237 4.764 4.527 -0.000 0.000 0.295 83 F C 2.376 177.969 175.800 -0.346 0.000 1.087 83 F CA 1.736 59.482 58.000 -0.423 0.000 1.365 83 F CB 0.360 39.081 39.000 -0.465 0.000 1.056 83 F HN 0.078 nan 8.300 nan 0.000 0.506 84 E N 0.982 120.992 120.200 -0.317 0.000 2.005 84 E HA -0.241 4.109 4.350 -0.000 0.000 0.198 84 E C 2.370 178.875 176.600 -0.160 0.000 1.010 84 E CA 1.855 58.108 56.400 -0.245 0.000 0.825 84 E CB -1.021 28.611 29.700 -0.114 0.000 0.769 84 E HN 0.412 nan 8.360 nan 0.000 0.456 85 L N 0.274 121.440 121.223 -0.095 0.000 1.976 85 L HA -0.263 4.077 4.340 -0.000 0.000 0.223 85 L C 2.587 179.433 176.870 -0.040 0.000 1.081 85 L CA 1.901 56.711 54.840 -0.051 0.000 0.784 85 L CB -0.988 41.054 42.059 -0.029 0.000 0.896 85 L HN 0.075 nan 8.230 nan 0.000 0.438 86 F N 0.963 120.793 119.950 -0.201 0.000 2.050 86 F HA -0.353 4.174 4.527 -0.000 0.000 0.294 86 F C 2.302 178.051 175.800 -0.086 0.000 1.113 86 F CA 2.196 60.097 58.000 -0.166 0.000 1.225 86 F CB -0.556 38.230 39.000 -0.357 0.000 0.953 86 F HN -0.103 nan 8.300 nan 0.000 0.501 87 L N -0.233 120.811 121.223 -0.299 0.000 2.046 87 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 87 L C 2.830 179.625 176.870 -0.125 0.000 1.077 87 L CA 1.175 55.824 54.840 -0.318 0.000 0.747 87 L CB -1.393 40.487 42.059 -0.297 0.000 0.896 87 L HN 0.335 nan 8.230 nan 0.000 0.432 88 A N -0.229 122.533 122.820 -0.096 0.000 1.978 88 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 88 A C 2.187 179.745 177.584 -0.045 0.000 1.170 88 A CA 1.555 53.563 52.037 -0.048 0.000 0.636 88 A CB -0.314 18.662 19.000 -0.040 0.000 0.810 88 A HN 0.412 nan 8.150 nan 0.000 0.448 89 E N -1.399 118.756 120.200 -0.075 0.000 2.216 89 E HA -0.103 4.247 4.350 -0.000 0.000 0.192 89 E C 1.526 178.028 176.600 -0.164 0.000 0.988 89 E CA 0.756 57.083 56.400 -0.123 0.000 0.834 89 E CB -0.300 29.297 29.700 -0.172 0.000 0.772 89 E HN 0.832 nan 8.360 nan 0.000 0.479 90 Y N 1.558 121.737 120.300 -0.201 0.000 2.314 90 Y HA -0.061 4.489 4.550 -0.000 0.000 0.293 90 Y C 2.297 178.150 175.900 -0.079 0.000 1.129 90 Y CA 0.981 58.988 58.100 -0.155 0.000 1.201 90 Y CB 0.048 38.377 38.460 -0.219 0.000 0.999 90 Y HN -0.064 nan 8.280 nan 0.000 0.541 91 K N -0.263 120.179 120.400 0.070 0.000 2.103 91 K HA -0.134 4.186 4.320 -0.000 0.000 0.207 91 K C 2.001 178.615 176.600 0.024 0.000 1.048 91 K CA 1.223 57.538 56.287 0.047 0.000 0.930 91 K CB -0.276 32.240 32.500 0.028 0.000 0.716 91 K HN 0.225 nan 8.250 nan 0.000 0.444 92 A N 0.457 123.273 122.820 -0.007 0.000 2.238 92 A HA 0.200 4.520 4.320 -0.000 0.000 0.208 92 A C 1.151 178.718 177.584 -0.028 0.000 1.177 92 A CA 0.660 52.685 52.037 -0.019 0.000 0.804 92 A CB -0.323 18.656 19.000 -0.034 0.000 0.823 92 A HN 0.404 nan 8.150 nan 0.000 0.482 93 G N -0.176 108.607 108.800 -0.028 0.000 2.225 93 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 93 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 93 G C 0.108 174.950 174.900 -0.098 0.000 1.060 93 G CA 0.381 45.461 45.100 -0.034 0.000 0.833 93 G HN 0.742 nan 8.290 nan 0.000 0.498 94 R N -1.055 119.334 120.500 -0.185 0.000 2.797 94 R HA 0.761 5.100 4.340 -0.000 0.000 0.251 94 R C -0.538 175.495 176.300 -0.446 0.000 1.107 94 R CA -0.661 55.298 56.100 -0.234 0.000 1.084 94 R CB 1.081 31.264 30.300 -0.195 0.000 1.205 94 R HN 0.075 nan 8.270 nan 0.000 0.515 95 T N 3.520 117.857 114.554 -0.362 0.000 3.155 95 T HA 0.261 4.611 4.350 -0.000 0.000 0.384 95 T C -2.401 172.122 174.700 -0.296 0.000 1.351 95 T CA -1.317 60.523 62.100 -0.432 0.000 1.198 95 T CB 1.045 69.787 68.868 -0.210 0.000 1.106 95 T HN 0.385 nan 8.240 nan 0.000 0.564 96 P HA 0.170 nan 4.420 nan 0.000 0.274 96 P C -0.559 176.767 177.300 0.043 0.000 1.237 96 P CA -0.521 62.511 63.100 -0.114 0.000 0.793 96 P CB 1.015 32.650 31.700 -0.107 0.000 0.977 97 N N 2.359 121.109 118.700 0.083 0.000 3.091 97 N HA 0.143 4.883 4.740 -0.000 0.000 0.255 97 N C -1.172 174.438 175.510 0.165 0.000 1.204 97 N CA -2.165 50.960 53.050 0.125 0.000 0.990 97 N CB 0.556 39.093 38.487 0.083 0.000 1.260 97 N HN 0.213 nan 8.380 nan 0.000 0.502 98 P HA -0.199 nan 4.420 nan 0.000 0.218 98 P C 0.204 177.581 177.300 0.127 0.000 1.150 98 P CA 1.376 64.597 63.100 0.201 0.000 0.841 98 P CB 0.402 32.182 31.700 0.133 0.000 0.784 99 D N -0.530 119.967 120.400 0.162 0.000 2.178 99 D HA -0.080 4.560 4.640 -0.000 0.000 0.202 99 D C 2.036 178.438 176.300 0.171 0.000 0.974 99 D CA 0.603 54.716 54.000 0.188 0.000 0.841 99 D CB -0.494 40.475 40.800 0.283 0.000 0.953 99 D HN 0.153 nan 8.370 nan 0.000 0.478 100 I N 0.292 120.931 120.570 0.115 0.000 2.454 100 I HA -0.169 4.001 4.170 -0.000 0.000 0.254 100 I C 2.157 178.227 176.117 -0.077 0.000 1.156 100 I CA 0.818 62.096 61.300 -0.037 0.000 1.433 100 I CB -0.576 37.358 38.000 -0.111 0.000 1.082 100 I HN 0.126 nan 8.210 nan 0.000 0.432 101 L N -0.291 120.924 121.223 -0.012 0.000 2.102 101 L HA -0.180 4.160 4.340 -0.000 0.000 0.202 101 L C 2.841 179.715 176.870 0.006 0.000 1.076 101 L CA 0.738 55.562 54.840 -0.028 0.000 0.761 101 L CB -0.482 41.561 42.059 -0.026 0.000 0.921 101 L HN 0.297 nan 8.230 nan 0.000 0.444 102 C N 0.474 119.815 119.300 0.069 0.000 2.403 102 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 102 C C 2.703 177.770 174.990 0.128 0.000 1.248 102 C CA 1.166 60.273 59.018 0.149 0.000 1.762 102 C CB -1.025 26.849 27.740 0.223 0.000 2.014 102 C HN 0.537 nan 8.230 nan 0.000 0.486 103 N N 0.636 119.405 118.700 0.114 0.000 2.083 103 N HA -0.113 4.627 4.740 -0.000 0.000 0.190 103 N C 1.787 177.380 175.510 0.139 0.000 1.047 103 N CA 1.447 54.609 53.050 0.187 0.000 0.845 103 N CB -0.727 37.801 38.487 0.069 0.000 1.025 103 N HN 0.657 nan 8.380 nan 0.000 0.428 104 K N 1.138 121.517 120.400 -0.036 0.000 2.044 104 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 104 K C 1.525 178.106 176.600 -0.032 0.000 1.049 104 K CA 1.350 57.583 56.287 -0.091 0.000 0.927 104 K CB 0.165 32.553 32.500 -0.187 0.000 0.713 104 K HN 0.075 nan 8.250 nan 0.000 0.443 105 E N 0.388 120.575 120.200 -0.020 0.000 2.033 105 E HA -0.086 4.263 4.350 -0.000 0.000 0.189 105 E C 2.122 178.703 176.600 -0.031 0.000 0.979 105 E CA 0.822 57.211 56.400 -0.019 0.000 0.802 105 E CB -0.038 29.651 29.700 -0.017 0.000 0.763 105 E HN 0.309 nan 8.360 nan 0.000 0.449 106 I N 0.821 121.382 120.570 -0.014 0.000 4.229 106 I HA -0.037 4.133 4.170 -0.000 0.000 0.228 106 I C 2.153 178.195 176.117 -0.126 0.000 0.998 106 I CA 0.337 61.566 61.300 -0.118 0.000 1.530 106 I CB -1.450 36.539 38.000 -0.018 0.000 1.406 106 I HN -0.063 nan 8.210 nan 0.000 0.449 107 K N 0.471 120.837 120.400 -0.057 0.000 2.206 107 K HA -0.210 4.110 4.320 -0.000 0.000 0.211 107 K C 0.836 177.074 176.600 -0.603 0.000 1.047 107 K CA 2.047 58.183 56.287 -0.253 0.000 0.933 107 K CB -0.336 32.085 32.500 -0.132 0.000 0.721 107 K HN 0.252 nan 8.250 nan 0.000 0.471 108 F N -0.926 118.927 119.950 -0.160 0.000 2.881 108 F HA 0.340 4.867 4.527 -0.000 0.000 0.343 108 F C 0.965 176.706 175.800 -0.097 0.000 1.233 108 F CA -0.427 57.482 58.000 -0.151 0.000 1.262 108 F CB 0.711 39.630 39.000 -0.134 0.000 0.980 108 F HN -0.115 nan 8.300 nan 0.000 0.506 109 K N -0.543 119.865 120.400 0.013 0.000 3.060 109 K HA 0.318 4.638 4.320 -0.000 0.000 0.250 109 K C 1.977 178.565 176.600 -0.021 0.000 2.263 109 K CA 0.812 57.106 56.287 0.011 0.000 1.402 109 K CB -0.467 32.031 32.500 -0.003 0.000 2.541 109 K HN -0.058 nan 8.250 nan 0.000 0.469 110 A N 1.633 124.358 122.820 -0.158 0.000 1.873 110 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 110 A C 1.985 179.431 177.584 -0.229 0.000 1.193 110 A CA 2.002 53.832 52.037 -0.346 0.000 0.629 110 A CB -1.087 17.357 19.000 -0.927 0.000 0.826 110 A HN 0.524 nan 8.150 nan 0.000 0.447 111 F N -0.349 119.308 119.950 -0.488 0.000 2.113 111 F HA -0.135 4.392 4.527 -0.000 0.000 0.297 111 F C 2.014 177.848 175.800 0.058 0.000 1.103 111 F CA 1.419 59.377 58.000 -0.069 0.000 1.248 111 F CB -0.115 38.807 39.000 -0.130 0.000 0.999 111 F HN 0.241 nan 8.300 nan 0.000 0.475 112 L N 1.309 122.724 121.223 0.321 0.000 1.971 112 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 112 L C 2.305 179.303 176.870 0.214 0.000 1.072 112 L CA 2.345 57.311 54.840 0.210 0.000 0.758 112 L CB -1.109 40.993 42.059 0.071 0.000 0.889 112 L HN 0.290 nan 8.230 nan 0.000 0.433 113 E N -1.602 118.702 120.200 0.174 0.000 2.051 113 E HA -0.264 4.086 4.350 -0.000 0.000 0.192 113 E C 2.040 178.756 176.600 0.194 0.000 0.991 113 E CA 1.459 57.950 56.400 0.152 0.000 0.799 113 E CB -0.329 29.450 29.700 0.132 0.000 0.748 113 E HN 0.464 nan 8.360 nan 0.000 0.449 114 F N 1.356 121.382 119.950 0.127 0.000 1.993 114 F HA -0.304 4.223 4.527 -0.000 0.000 0.297 114 F C 2.180 178.005 175.800 0.041 0.000 1.177 114 F CA 2.046 60.114 58.000 0.114 0.000 1.182 114 F CB -1.074 38.051 39.000 0.209 0.000 0.958 114 F HN 0.060 nan 8.300 nan 0.000 0.496 115 A N 0.252 123.062 122.820 -0.017 0.000 2.001 115 A HA -0.315 4.004 4.320 -0.000 0.000 0.224 115 A C 2.311 179.787 177.584 -0.180 0.000 1.203 115 A CA 3.093 55.018 52.037 -0.187 0.000 0.667 115 A CB -1.826 17.237 19.000 0.104 0.000 0.823 115 A HN 0.760 nan 8.150 nan 0.000 0.473 116 A N -0.935 121.847 122.820 -0.064 0.000 1.844 116 A HA -0.017 4.303 4.320 -0.000 0.000 0.212 116 A C 1.854 179.375 177.584 -0.104 0.000 1.221 116 A CA 1.223 53.227 52.037 -0.054 0.000 0.607 116 A CB -0.583 18.423 19.000 0.010 0.000 0.878 116 A HN 0.565 nan 8.150 nan 0.000 0.451 117 E N -0.184 119.966 120.200 -0.082 0.000 2.209 117 E HA -0.184 4.166 4.350 -0.000 0.000 0.196 117 E C 0.916 177.425 176.600 -0.152 0.000 0.993 117 E CA 1.456 57.809 56.400 -0.079 0.000 0.819 117 E CB -0.099 29.592 29.700 -0.015 0.000 0.745 117 E HN 0.645 nan 8.360 nan 0.000 0.477 118 D N -0.294 119.912 120.400 -0.324 0.000 3.013 118 D HA 0.089 4.729 4.640 -0.000 0.000 0.256 118 D C 1.467 177.515 176.300 -0.419 0.000 1.573 118 D CA -0.031 53.716 54.000 -0.421 0.000 1.197 118 D CB -0.318 40.010 40.800 -0.786 0.000 1.041 118 D HN -0.079 nan 8.370 nan 0.000 0.304 119 L N 1.165 121.999 121.223 -0.648 0.000 2.671 119 L HA 0.028 4.368 4.340 -0.000 0.000 0.236 119 L C 0.629 177.340 176.870 -0.266 0.000 1.178 119 L CA 0.504 55.064 54.840 -0.467 0.000 0.829 119 L CB -1.598 40.120 42.059 -0.570 0.000 0.956 119 L HN 0.262 nan 8.230 nan 0.000 0.455 120 G N 1.046 109.717 108.800 -0.214 0.000 2.220 120 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.248 120 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.248 120 G C 0.031 174.869 174.900 -0.104 0.000 0.791 120 G CA 0.309 45.332 45.100 -0.128 0.000 1.197 120 G HN 0.603 nan 8.290 nan 0.000 0.336 121 A N 1.589 124.358 122.820 -0.084 0.000 2.401 121 A HA 0.801 5.121 4.320 -0.000 0.000 0.310 121 A C 0.765 178.326 177.584 -0.037 0.000 1.075 121 A CA -0.093 51.914 52.037 -0.050 0.000 0.746 121 A CB 1.192 20.182 19.000 -0.018 0.000 1.277 121 A HN 0.268 nan 8.150 nan 0.000 0.425 122 D N -0.052 120.299 120.400 -0.082 0.000 2.162 122 D HA 0.094 4.734 4.640 -0.000 0.000 0.205 122 D C -0.209 176.083 176.300 -0.014 0.000 0.964 122 D CA 1.830 55.726 54.000 -0.174 0.000 0.847 122 D CB 0.118 40.658 40.800 -0.433 0.000 0.988 122 D HN 0.656 nan 8.370 nan 0.000 0.480 123 Y N -0.776 119.544 120.300 0.032 0.000 2.634 123 Y HA 0.464 5.014 4.550 -0.000 0.000 0.340 123 Y C -0.434 175.453 175.900 -0.022 0.000 1.058 123 Y CA -1.494 56.602 58.100 -0.006 0.000 1.081 123 Y CB 1.733 40.181 38.460 -0.019 0.000 1.295 123 Y HN -0.339 nan 8.280 nan 0.000 0.487 124 I N 1.066 121.693 120.570 0.094 0.000 2.740 124 I HA 0.755 4.925 4.170 -0.000 0.000 0.303 124 I C -0.477 175.519 176.117 -0.202 0.000 1.044 124 I CA -0.501 60.787 61.300 -0.020 0.000 1.064 124 I CB 2.002 39.920 38.000 -0.136 0.000 1.249 124 I HN 0.672 nan 8.210 nan 0.000 0.433 125 A N 2.330 125.022 122.820 -0.213 0.000 2.594 125 A HA 0.944 5.263 4.320 -0.000 0.000 0.291 125 A C -0.782 176.676 177.584 -0.210 0.000 1.105 125 A CA -0.507 51.367 52.037 -0.272 0.000 0.694 125 A CB 2.056 20.952 19.000 -0.173 0.000 1.291 125 A HN 0.622 nan 8.150 nan 0.000 0.410 126 T N -1.285 113.216 114.554 -0.089 0.000 2.802 126 T HA 0.522 4.871 4.350 -0.000 0.000 0.311 126 T C 0.331 175.154 174.700 0.205 0.000 1.405 126 T CA 0.333 62.482 62.100 0.081 0.000 1.016 126 T CB 1.254 70.221 68.868 0.166 0.000 1.352 126 T HN 1.688 nan 8.240 nan 0.000 0.498 127 G N 1.494 110.381 108.800 0.144 0.000 3.452 127 G HA2 0.265 4.225 3.960 -0.000 0.000 0.258 127 G HA3 0.265 4.225 3.960 -0.000 0.000 0.258 127 G C -0.153 174.776 174.900 0.048 0.000 1.305 127 G CA 0.057 45.205 45.100 0.080 0.000 1.514 127 G HN 0.701 nan 8.290 nan 0.000 0.593 128 H N -0.896 118.284 119.070 0.183 0.000 2.502 128 H HA 0.192 4.748 4.556 -0.000 0.000 0.327 128 H C -0.705 174.711 175.328 0.147 0.000 1.099 128 H CA -0.425 55.713 56.048 0.150 0.000 1.323 128 H CB 1.163 31.000 29.762 0.125 0.000 1.450 128 H HN 0.259 nan 8.280 nan 0.000 0.502 129 Y N 4.419 124.793 120.300 0.124 0.000 2.623 129 Y HA 0.349 4.899 4.550 -0.000 0.000 0.341 129 Y C -0.840 175.115 175.900 0.093 0.000 1.292 129 Y CA -0.204 57.958 58.100 0.103 0.000 1.840 129 Y CB -0.373 38.135 38.460 0.079 0.000 1.865 129 Y HN 0.300 nan 8.280 nan 0.000 0.440 130 V N 4.274 124.314 119.914 0.211 0.000 3.114 130 V HA 0.531 4.651 4.120 -0.000 0.000 0.308 130 V C -0.769 175.355 176.094 0.050 0.000 1.168 130 V CA -1.142 61.200 62.300 0.070 0.000 1.015 130 V CB 2.741 34.419 31.823 -0.243 0.000 1.050 130 V HN 0.444 nan 8.190 nan 0.000 0.433 131 R N 1.451 121.980 120.500 0.047 0.000 2.740 131 R HA 0.683 5.023 4.340 -0.000 0.000 0.282 131 R C -0.702 175.663 176.300 0.108 0.000 0.969 131 R CA -0.839 55.323 56.100 0.104 0.000 0.918 131 R CB 2.616 32.976 30.300 0.100 0.000 1.175 131 R HN 0.684 nan 8.270 nan 0.000 0.464 132 R N 0.893 121.506 120.500 0.188 0.000 2.732 132 R HA 0.760 5.099 4.340 -0.000 0.000 0.278 132 R C -1.647 174.717 176.300 0.108 0.000 0.976 132 R CA -0.507 55.703 56.100 0.184 0.000 0.963 132 R CB 1.900 32.359 30.300 0.265 0.000 1.150 132 R HN 0.710 nan 8.270 nan 0.000 0.478 133 A N 3.257 126.128 122.820 0.085 0.000 2.509 133 A HA 0.261 4.581 4.320 -0.000 0.000 0.282 133 A C -1.899 175.719 177.584 0.058 0.000 1.054 133 A CA -0.845 51.231 52.037 0.065 0.000 0.820 133 A CB 1.315 20.352 19.000 0.062 0.000 1.333 133 A HN 0.800 nan 8.150 nan 0.000 0.409 134 D N 1.386 121.815 120.400 0.048 0.000 2.339 134 D HA 0.478 5.118 4.640 -0.000 0.000 0.241 134 D C -0.363 175.963 176.300 0.044 0.000 1.183 134 D CA 0.533 54.560 54.000 0.046 0.000 0.859 134 D CB 1.346 42.166 40.800 0.034 0.000 1.067 134 D HN 0.223 nan 8.370 nan 0.000 0.484 135 V N 2.925 122.867 119.914 0.047 0.000 2.686 135 V HA 0.230 4.350 4.120 -0.000 0.000 0.306 135 V C -0.230 175.888 176.094 0.040 0.000 1.065 135 V CA -0.917 61.407 62.300 0.041 0.000 0.894 135 V CB 2.111 33.957 31.823 0.038 0.000 1.004 135 V HN 0.544 nan 8.190 nan 0.000 0.424 136 D N 3.623 124.043 120.400 0.035 0.000 2.800 136 D HA -0.172 4.468 4.640 -0.000 0.000 0.232 136 D C 1.236 177.559 176.300 0.038 0.000 1.137 136 D CA 2.090 56.110 54.000 0.033 0.000 0.718 136 D CB -1.117 39.701 40.800 0.030 0.000 1.084 136 D HN 1.488 nan 8.370 nan 0.000 0.432 137 G N -1.635 107.189 108.800 0.040 0.000 2.299 137 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.237 137 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.237 137 G C 0.375 175.309 174.900 0.056 0.000 1.027 137 G CA 0.609 45.734 45.100 0.042 0.000 0.619 137 G HN 0.334 nan 8.290 nan 0.000 0.513 138 K N 1.281 121.726 120.400 0.075 0.000 2.316 138 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 138 K C 0.445 177.107 176.600 0.103 0.000 0.934 138 K CA 0.033 56.390 56.287 0.116 0.000 0.802 138 K CB 1.631 34.253 32.500 0.203 0.000 1.171 138 K HN 0.544 nan 8.250 nan 0.000 0.426 139 S N 2.740 118.509 115.700 0.114 0.000 2.564 139 S HA 0.475 4.945 4.470 -0.000 0.000 0.278 139 S C 0.039 174.702 174.600 0.105 0.000 1.333 139 S CA -0.501 57.756 58.200 0.096 0.000 1.048 139 S CB 1.167 64.416 63.200 0.083 0.000 0.900 139 S HN 0.481 nan 8.310 nan 0.000 0.505 140 R N 0.300 120.847 120.500 0.080 0.000 2.854 140 R HA 0.606 4.946 4.340 -0.000 0.000 0.271 140 R C -1.410 174.923 176.300 0.055 0.000 0.994 140 R CA -1.055 55.082 56.100 0.061 0.000 0.945 140 R CB 1.203 31.535 30.300 0.054 0.000 1.194 140 R HN 0.551 nan 8.270 nan 0.000 0.476 141 L N 2.715 123.954 121.223 0.027 0.000 2.272 141 L HA 0.478 4.818 4.340 -0.000 0.000 0.289 141 L C -1.240 175.647 176.870 0.029 0.000 1.032 141 L CA -0.025 54.808 54.840 -0.011 0.000 0.810 141 L CB 0.841 42.856 42.059 -0.074 0.000 1.205 141 L HN 0.473 nan 8.230 nan 0.000 0.422 142 L N 4.339 125.585 121.223 0.039 0.000 2.260 142 L HA 0.607 4.947 4.340 -0.000 0.000 0.265 142 L C 1.229 178.165 176.870 0.110 0.000 1.015 142 L CA -1.187 53.706 54.840 0.089 0.000 0.826 142 L CB 1.421 43.530 42.059 0.083 0.000 1.373 142 L HN 0.564 nan 8.230 nan 0.000 0.450 143 R N 0.970 121.547 120.500 0.129 0.000 2.078 143 R HA 0.165 4.505 4.340 -0.000 0.000 0.224 143 R C 0.178 176.578 176.300 0.165 0.000 1.149 143 R CA 0.942 57.117 56.100 0.126 0.000 0.916 143 R CB -0.366 29.967 30.300 0.055 0.000 0.821 143 R HN 0.866 nan 8.270 nan 0.000 0.434 144 G N 1.076 109.978 108.800 0.170 0.000 3.435 144 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.683 144 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.683 144 G C -0.413 174.685 174.900 0.330 0.000 1.189 144 G CA -0.832 44.433 45.100 0.275 0.000 1.069 144 G HN 0.192 nan 8.290 nan 0.000 0.508 145 L N 1.775 123.146 121.223 0.247 0.000 2.870 145 L HA -0.025 4.314 4.340 -0.000 0.000 0.330 145 L C 0.799 177.793 176.870 0.205 0.000 1.240 145 L CA 1.387 56.343 54.840 0.194 0.000 0.847 145 L CB 0.080 42.241 42.059 0.170 0.000 1.111 145 L HN 0.883 nan 8.230 nan 0.000 0.542 146 D N 0.879 121.317 120.400 0.063 0.000 2.897 146 D HA -0.138 4.502 4.640 -0.000 0.000 0.250 146 D C 0.949 177.151 176.300 -0.164 0.000 1.086 146 D CA 1.011 54.986 54.000 -0.041 0.000 0.799 146 D CB -0.980 39.808 40.800 -0.019 0.000 1.043 146 D HN 0.619 nan 8.370 nan 0.000 0.427 147 S N -0.331 115.302 115.700 -0.111 0.000 2.441 147 S HA -0.277 4.193 4.470 -0.000 0.000 0.242 147 S C 1.683 176.173 174.600 -0.182 0.000 1.018 147 S CA 1.274 59.389 58.200 -0.142 0.000 0.988 147 S CB -0.223 62.901 63.200 -0.127 0.000 0.778 147 S HN 0.691 nan 8.310 nan 0.000 0.498 148 N N 0.448 119.041 118.700 -0.179 0.000 2.443 148 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 148 N C 1.111 176.490 175.510 -0.220 0.000 1.037 148 N CA 0.668 53.607 53.050 -0.185 0.000 0.896 148 N CB 0.067 38.465 38.487 -0.147 0.000 0.959 148 N HN 0.177 nan 8.380 nan 0.000 0.442 149 K N 0.386 120.601 120.400 -0.308 0.000 2.380 149 K HA 0.031 4.351 4.320 -0.000 0.000 0.198 149 K C -0.119 176.252 176.600 -0.381 0.000 1.070 149 K CA -0.164 55.886 56.287 -0.395 0.000 1.040 149 K CB -0.171 31.945 32.500 -0.640 0.000 0.903 149 K HN 0.233 nan 8.250 nan 0.000 0.549 150 D N 2.160 122.382 120.400 -0.296 0.000 2.548 150 D HA -0.119 4.520 4.640 -0.000 0.000 0.231 150 D C 0.074 176.517 176.300 0.239 0.000 1.142 150 D CA 0.885 54.874 54.000 -0.019 0.000 0.866 150 D CB 0.921 41.737 40.800 0.028 0.000 1.190 150 D HN 0.146 nan 8.370 nan 0.000 0.469 151 Q N 1.631 121.612 119.800 0.302 0.000 2.171 151 Q HA 0.023 4.363 4.340 -0.000 0.000 0.218 151 Q C 1.796 178.027 176.000 0.384 0.000 0.822 151 Q CA -0.111 55.917 55.803 0.376 0.000 0.987 151 Q CB 0.401 29.280 28.738 0.236 0.000 1.144 151 Q HN 0.613 nan 8.270 nan 0.000 0.494 152 S N 0.294 116.175 115.700 0.301 0.000 2.407 152 S HA -0.315 4.155 4.470 -0.000 0.000 0.235 152 S C 1.770 176.514 174.600 0.239 0.000 1.036 152 S CA 1.251 59.575 58.200 0.206 0.000 1.013 152 S CB -0.631 62.738 63.200 0.282 0.000 0.820 152 S HN 0.553 nan 8.310 nan 0.000 0.476 153 Y N 2.068 122.545 120.300 0.295 0.000 2.139 153 Y HA -0.198 4.352 4.550 -0.000 0.000 0.282 153 Y C 1.627 177.541 175.900 0.025 0.000 1.179 153 Y CA 1.727 59.925 58.100 0.163 0.000 1.161 153 Y CB -0.688 37.868 38.460 0.160 0.000 0.970 153 Y HN 0.304 nan 8.280 nan 0.000 0.511 154 F N -0.384 119.530 119.950 -0.061 0.000 2.661 154 F HA 0.051 4.578 4.527 -0.000 0.000 0.298 154 F C 0.994 176.628 175.800 -0.277 0.000 1.137 154 F CA 0.582 58.482 58.000 -0.166 0.000 1.454 154 F CB -0.213 38.745 39.000 -0.069 0.000 1.103 154 F HN -0.027 nan 8.300 nan 0.000 0.577 155 L N -0.191 120.946 121.223 -0.143 0.000 3.094 155 L HA 0.133 4.472 4.340 -0.000 0.000 0.254 155 L C 1.103 177.757 176.870 -0.361 0.000 1.298 155 L CA -0.333 54.273 54.840 -0.391 0.000 1.050 155 L CB -0.944 40.788 42.059 -0.545 0.000 1.420 155 L HN 0.191 nan 8.230 nan 0.000 0.548 156 Y N -1.739 118.361 120.300 -0.333 0.000 2.516 156 Y HA -0.062 4.488 4.550 -0.000 0.000 0.291 156 Y C 2.388 178.133 175.900 -0.258 0.000 1.131 156 Y CA 0.973 58.883 58.100 -0.316 0.000 1.281 156 Y CB -0.546 37.683 38.460 -0.386 0.000 1.013 156 Y HN 0.210 nan 8.280 nan 0.000 0.554 157 T N -0.240 113.889 114.554 -0.708 0.000 3.014 157 T HA 0.064 4.414 4.350 -0.000 0.000 0.263 157 T C 0.751 175.203 174.700 -0.413 0.000 1.078 157 T CA -0.019 61.753 62.100 -0.547 0.000 1.135 157 T CB -0.582 67.893 68.868 -0.656 0.000 0.895 157 T HN 0.105 nan 8.240 nan 0.000 0.480 158 L N 3.315 124.298 121.223 -0.400 0.000 2.498 158 L HA 0.206 4.546 4.340 -0.000 0.000 0.293 158 L C 0.814 177.580 176.870 -0.172 0.000 1.271 158 L CA 0.579 55.232 54.840 -0.313 0.000 0.831 158 L CB 0.279 42.106 42.059 -0.388 0.000 1.091 158 L HN 0.522 nan 8.230 nan 0.000 0.535 159 S N -1.048 114.609 115.700 -0.073 0.000 2.542 159 S HA 0.405 4.875 4.470 -0.000 0.000 0.293 159 S C 0.907 175.614 174.600 0.178 0.000 1.089 159 S CA -0.210 58.019 58.200 0.049 0.000 0.961 159 S CB 0.992 64.253 63.200 0.102 0.000 1.062 159 S HN 0.809 nan 8.310 nan 0.000 0.483 160 H N 0.867 119.938 119.070 0.000 0.000 2.362 160 H HA -0.156 4.400 4.556 -0.000 0.000 0.294 160 H C 1.234 176.571 175.328 0.015 0.000 1.113 160 H CA 1.574 57.630 56.048 0.014 0.000 1.253 160 H CB -0.375 29.401 29.762 0.023 0.000 1.363 160 H HN 0.623 nan 8.280 nan 0.000 0.494 161 E N 1.063 121.286 120.200 0.039 0.000 2.147 161 E HA -0.207 4.143 4.350 -0.000 0.000 0.199 161 E C 2.268 178.874 176.600 0.010 0.000 1.005 161 E CA 1.541 57.888 56.400 -0.089 0.000 0.810 161 E CB -0.188 29.484 29.700 -0.046 0.000 0.736 161 E HN 0.779 nan 8.360 nan 0.000 0.460 162 Q N -0.453 119.383 119.800 0.060 0.000 2.165 162 Q HA 0.006 4.345 4.340 -0.000 0.000 0.197 162 Q C 2.303 178.360 176.000 0.095 0.000 0.952 162 Q CA 0.310 56.158 55.803 0.076 0.000 0.848 162 Q CB 0.128 28.906 28.738 0.068 0.000 0.931 162 Q HN 0.194 nan 8.270 nan 0.000 0.470 163 I N 1.498 122.127 120.570 0.099 0.000 2.163 163 I HA -0.258 3.912 4.170 -0.000 0.000 0.243 163 I C 2.425 178.574 176.117 0.054 0.000 1.085 163 I CA 1.500 62.884 61.300 0.141 0.000 1.347 163 I CB -1.485 36.596 38.000 0.136 0.000 1.044 163 I HN 0.131 nan 8.210 nan 0.000 0.408 164 A N 0.064 122.895 122.820 0.019 0.000 1.940 164 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 164 A C 2.234 179.739 177.584 -0.131 0.000 1.176 164 A CA 1.707 53.713 52.037 -0.051 0.000 0.631 164 A CB -0.668 18.314 19.000 -0.029 0.000 0.814 164 A HN 0.554 nan 8.150 nan 0.000 0.446 165 Q N -0.257 119.508 119.800 -0.059 0.000 2.311 165 Q HA 0.068 4.407 4.340 -0.000 0.000 0.203 165 Q C 0.626 176.544 176.000 -0.137 0.000 0.954 165 Q CA 0.498 56.282 55.803 -0.032 0.000 0.885 165 Q CB 0.077 28.842 28.738 0.045 0.000 0.963 165 Q HN 0.562 nan 8.270 nan 0.000 0.471 166 S N 0.093 115.676 115.700 -0.195 0.000 2.669 166 S HA 0.403 4.873 4.470 -0.000 0.000 0.270 166 S C -0.681 173.553 174.600 -0.610 0.000 1.225 166 S CA -0.447 57.505 58.200 -0.414 0.000 0.991 166 S CB 0.838 63.766 63.200 -0.453 0.000 0.987 166 S HN 0.053 nan 8.310 nan 0.000 0.552 167 L N 2.025 122.776 121.223 -0.787 0.000 2.504 167 L HA 0.457 4.797 4.340 -0.000 0.000 0.265 167 L C -1.814 174.692 176.870 -0.607 0.000 0.975 167 L CA -0.013 54.480 54.840 -0.578 0.000 0.864 167 L CB 0.651 42.482 42.059 -0.381 0.000 1.212 167 L HN 0.549 nan 8.230 nan 0.000 0.416 168 F N 5.930 125.860 119.950 -0.033 0.000 2.308 168 F HA 0.477 5.004 4.527 -0.000 0.000 0.370 168 F C -1.366 174.421 175.800 -0.021 0.000 1.100 168 F CA -1.222 56.779 58.000 0.003 0.000 1.108 168 F CB 0.955 39.979 39.000 0.040 0.000 1.293 168 F HN 0.375 nan 8.300 nan 0.000 0.478 169 P HA -0.067 nan 4.420 nan 0.000 0.216 169 P C 1.476 178.777 177.300 0.002 0.000 1.151 169 P CA 0.861 63.977 63.100 0.027 0.000 0.863 169 P CB 0.210 31.900 31.700 -0.016 0.000 0.790 170 V N -1.702 118.204 119.914 -0.014 0.000 2.982 170 V HA -0.015 4.105 4.120 -0.000 0.000 0.265 170 V C 2.394 178.274 176.094 -0.357 0.000 1.122 170 V CA 1.874 64.098 62.300 -0.127 0.000 1.143 170 V CB -2.348 29.412 31.823 -0.105 0.000 0.726 170 V HN 0.109 nan 8.190 nan 0.000 0.507 171 G N -0.318 108.345 108.800 -0.227 0.000 2.813 171 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.209 171 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.209 171 G C 1.303 176.126 174.900 -0.128 0.000 1.150 171 G CA 0.198 45.127 45.100 -0.285 0.000 0.785 171 G HN 0.538 nan 8.290 nan 0.000 0.535 172 E N -0.091 120.062 120.200 -0.079 0.000 2.478 172 E HA 0.165 4.515 4.350 -0.000 0.000 0.194 172 E C 0.883 177.480 176.600 -0.006 0.000 1.045 172 E CA 0.074 56.471 56.400 -0.006 0.000 0.868 172 E CB 0.385 30.095 29.700 0.017 0.000 0.885 172 E HN 0.423 nan 8.360 nan 0.000 0.505 173 L N 0.217 121.399 121.223 -0.068 0.000 2.347 173 L HA 0.417 4.757 4.340 -0.000 0.000 0.268 173 L C 0.380 177.279 176.870 0.048 0.000 1.019 173 L CA -0.971 53.862 54.840 -0.011 0.000 0.806 173 L CB 0.850 42.899 42.059 -0.016 0.000 1.339 173 L HN -0.246 nan 8.230 nan 0.000 0.463 174 E N 0.098 120.365 120.200 0.112 0.000 2.227 174 E HA 0.136 4.486 4.350 -0.000 0.000 0.282 174 E C 0.071 176.811 176.600 0.232 0.000 1.015 174 E CA -0.387 56.138 56.400 0.208 0.000 0.823 174 E CB 2.027 31.803 29.700 0.127 0.000 1.081 174 E HN 0.397 nan 8.360 nan 0.000 0.396 175 K N 3.337 123.997 120.400 0.434 0.000 2.173 175 K HA -0.165 4.155 4.320 -0.000 0.000 0.207 175 K C -0.850 175.850 176.600 0.167 0.000 1.046 175 K CA 1.442 57.964 56.287 0.391 0.000 0.929 175 K CB -0.483 32.248 32.500 0.386 0.000 0.720 175 K HN 0.418 nan 8.250 nan 0.000 0.453 176 P HA -0.196 nan 4.420 nan 0.000 0.215 176 P C 0.877 178.210 177.300 0.055 0.000 1.153 176 P CA 1.476 64.616 63.100 0.067 0.000 0.853 176 P CB -0.032 31.698 31.700 0.051 0.000 0.788 177 Q N -0.102 119.735 119.800 0.061 0.000 2.014 177 Q HA -0.135 4.205 4.340 -0.000 0.000 0.207 177 Q C 2.399 178.419 176.000 0.034 0.000 0.993 177 Q CA 1.793 57.624 55.803 0.046 0.000 0.850 177 Q CB -1.213 27.559 28.738 0.056 0.000 0.916 177 Q HN 0.059 nan 8.270 nan 0.000 0.417 178 V N 1.356 121.295 119.914 0.042 0.000 2.227 178 V HA -0.388 3.732 4.120 -0.000 0.000 0.249 178 V C 2.200 178.301 176.094 0.012 0.000 1.046 178 V CA 2.565 64.883 62.300 0.030 0.000 1.015 178 V CB -0.870 30.974 31.823 0.036 0.000 0.648 178 V HN 0.407 nan 8.190 nan 0.000 0.460 179 R N -0.141 120.374 120.500 0.025 0.000 2.204 179 R HA -0.226 4.114 4.340 -0.000 0.000 0.253 179 R C 2.298 178.590 176.300 -0.014 0.000 1.172 179 R CA 1.519 57.624 56.100 0.009 0.000 0.994 179 R CB -0.411 29.901 30.300 0.019 0.000 0.874 179 R HN 0.437 nan 8.270 nan 0.000 0.462 180 K N 0.819 121.211 120.400 -0.014 0.000 2.020 180 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 180 K C 2.126 178.684 176.600 -0.071 0.000 1.038 180 K CA 0.942 57.210 56.287 -0.031 0.000 0.947 180 K CB -0.319 32.172 32.500 -0.014 0.000 0.744 180 K HN 0.117 nan 8.250 nan 0.000 0.442 181 I N 1.648 122.168 120.570 -0.084 0.000 2.147 181 I HA -0.381 3.789 4.170 -0.000 0.000 0.245 181 I C 2.346 178.315 176.117 -0.247 0.000 1.059 181 I CA 1.655 62.844 61.300 -0.186 0.000 1.320 181 I CB -0.480 37.413 38.000 -0.179 0.000 1.021 181 I HN 0.129 nan 8.210 nan 0.000 0.415 182 A N 0.271 122.992 122.820 -0.166 0.000 1.986 182 A HA -0.256 4.064 4.320 -0.000 0.000 0.220 182 A C 2.174 179.679 177.584 -0.131 0.000 1.171 182 A CA 2.128 54.077 52.037 -0.147 0.000 0.640 182 A CB -0.561 18.394 19.000 -0.075 0.000 0.811 182 A HN 0.598 nan 8.150 nan 0.000 0.451 183 E N -0.318 119.819 120.200 -0.105 0.000 2.060 183 E HA -0.099 4.251 4.350 -0.000 0.000 0.189 183 E C 0.910 177.451 176.600 -0.099 0.000 0.974 183 E CA 0.784 57.135 56.400 -0.082 0.000 0.808 183 E CB -0.271 29.396 29.700 -0.056 0.000 0.768 183 E HN 0.514 nan 8.360 nan 0.000 0.453 184 D N 0.678 121.007 120.400 -0.117 0.000 2.403 184 D HA -0.066 4.573 4.640 -0.000 0.000 0.227 184 D C 0.948 177.149 176.300 -0.166 0.000 0.995 184 D CA 0.773 54.702 54.000 -0.118 0.000 0.928 184 D CB 0.257 40.992 40.800 -0.108 0.000 0.887 184 D HN 0.176 nan 8.370 nan 0.000 0.529 185 L N -0.187 120.906 121.223 -0.217 0.000 3.202 185 L HA 0.241 4.580 4.340 -0.000 0.000 0.278 185 L C 0.848 177.621 176.870 -0.161 0.000 1.268 185 L CA -0.444 54.240 54.840 -0.259 0.000 1.034 185 L CB 0.565 42.334 42.059 -0.484 0.000 1.407 185 L HN -0.096 nan 8.230 nan 0.000 0.581 186 G N 1.330 110.064 108.800 -0.110 0.000 2.424 186 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.290 186 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.290 186 G C 0.123 174.983 174.900 -0.067 0.000 0.912 186 G CA 0.838 45.894 45.100 -0.072 0.000 1.142 186 G HN 0.364 nan 8.290 nan 0.000 0.501 187 L N -1.476 119.700 121.223 -0.078 0.000 2.777 187 L HA 0.575 4.915 4.340 -0.000 0.000 0.241 187 L C 1.534 178.379 176.870 -0.042 0.000 1.854 187 L CA -1.342 53.463 54.840 -0.058 0.000 2.070 187 L CB -0.146 41.868 42.059 -0.075 0.000 2.441 187 L HN 0.019 nan 8.230 nan 0.000 0.587 206 F N 3.000 122.989 119.950 0.065 0.000 2.126 206 F HA -0.003 4.524 4.527 -0.000 0.000 0.299 206 F C 2.154 177.994 175.800 0.067 0.000 1.096 206 F CA 1.507 59.556 58.000 0.082 0.000 1.255 206 F CB 0.100 39.131 39.000 0.053 0.000 0.997 206 F HN 0.051 nan 8.300 nan 0.000 0.479 207 R N -0.093 120.384 120.500 -0.037 0.000 2.091 207 R HA -0.201 4.138 4.340 -0.000 0.000 0.238 207 R C 2.301 178.467 176.300 -0.223 0.000 1.136 207 R CA 1.554 57.515 56.100 -0.233 0.000 0.959 207 R CB -0.637 29.660 30.300 -0.005 0.000 0.856 207 R HN 0.316 nan 8.270 nan 0.000 0.437 208 E N 0.569 120.743 120.200 -0.043 0.000 2.047 208 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 208 E C 1.734 178.322 176.600 -0.019 0.000 0.987 208 E CA 1.112 57.514 56.400 0.004 0.000 0.799 208 E CB -0.206 29.534 29.700 0.065 0.000 0.752 208 E HN 0.197 nan 8.360 nan 0.000 0.449 209 F N 1.485 121.368 119.950 -0.112 0.000 2.091 209 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 209 F C 2.331 178.114 175.800 -0.028 0.000 1.103 209 F CA 1.420 59.398 58.000 -0.036 0.000 1.228 209 F CB -0.438 38.534 39.000 -0.047 0.000 0.984 209 F HN -0.004 nan 8.300 nan 0.000 0.477 210 L N -0.064 120.994 121.223 -0.274 0.000 2.043 210 L HA -0.223 4.117 4.340 -0.000 0.000 0.212 210 L C 2.736 179.480 176.870 -0.209 0.000 1.075 210 L CA 1.480 56.111 54.840 -0.348 0.000 0.752 210 L CB -1.504 40.136 42.059 -0.698 0.000 0.891 210 L HN 0.396 nan 8.230 nan 0.000 0.432 211 G N -0.514 108.168 108.800 -0.197 0.000 2.462 211 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.220 211 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.220 211 G C 1.589 176.410 174.900 -0.133 0.000 1.121 211 G CA 0.289 45.345 45.100 -0.073 0.000 0.758 211 G HN 0.344 nan 8.290 nan 0.000 0.559 212 R N -1.185 119.153 120.500 -0.269 0.000 2.357 212 R HA 0.041 4.380 4.340 -0.000 0.000 0.202 212 R C 0.976 176.765 176.300 -0.851 0.000 1.047 212 R CA 0.804 56.594 56.100 -0.517 0.000 1.034 212 R CB -0.102 29.809 30.300 -0.648 0.000 0.875 212 R HN 0.593 nan 8.270 nan 0.000 0.473 213 Y N -1.420 118.830 120.300 -0.084 0.000 3.087 213 Y HA 0.219 4.768 4.550 -0.000 0.000 0.227 213 Y C 0.549 176.454 175.900 0.008 0.000 1.015 213 Y CA -0.560 57.547 58.100 0.012 0.000 1.399 213 Y CB 0.477 38.973 38.460 0.061 0.000 1.483 213 Y HN -0.199 nan 8.280 nan 0.000 0.420 214 L N 4.477 125.768 121.223 0.114 0.000 2.326 214 L HA 0.353 4.692 4.340 -0.000 0.000 0.278 214 L C -2.333 174.591 176.870 0.090 0.000 1.092 214 L CA -1.883 53.005 54.840 0.079 0.000 0.810 214 L CB 0.686 42.761 42.059 0.027 0.000 1.153 214 L HN -0.069 nan 8.230 nan 0.000 0.439 215 P HA 0.210 nan 4.420 nan 0.000 0.279 215 P C -0.893 176.476 177.300 0.114 0.000 1.239 215 P CA -0.491 62.661 63.100 0.086 0.000 0.789 215 P CB 1.480 33.219 31.700 0.065 0.000 0.933 216 A N 3.773 126.651 122.820 0.097 0.000 2.409 216 A HA 0.229 4.549 4.320 -0.000 0.000 0.262 216 A C 0.356 177.960 177.584 0.032 0.000 1.113 216 A CA -0.213 51.856 52.037 0.054 0.000 0.790 216 A CB -0.086 18.897 19.000 -0.029 0.000 1.046 216 A HN 0.479 nan 8.150 nan 0.000 0.496 217 Q N 3.204 123.029 119.800 0.041 0.000 2.788 217 Q HA 0.244 4.583 4.340 -0.000 0.000 0.261 217 Q C -2.630 173.401 176.000 0.052 0.000 1.029 217 Q CA -1.804 54.027 55.803 0.047 0.000 0.848 217 Q CB 1.108 29.888 28.738 0.070 0.000 1.185 217 Q HN 0.591 nan 8.270 nan 0.000 0.482 218 P HA 0.010 nan 4.420 nan 0.000 0.261 218 P C 0.058 177.332 177.300 -0.045 0.000 1.183 218 P CA 0.583 63.686 63.100 0.006 0.000 0.761 218 P CB 1.143 32.824 31.700 -0.032 0.000 0.785 219 G N 3.110 111.803 108.800 -0.177 0.000 3.257 219 G HA2 0.566 4.526 3.960 -0.000 0.000 0.205 219 G HA3 0.566 4.526 3.960 -0.000 0.000 0.205 219 G C -1.154 173.302 174.900 -0.740 0.000 1.234 219 G CA -0.710 44.114 45.100 -0.460 0.000 0.918 219 G HN 0.370 nan 8.290 nan 0.000 0.602 220 K N -0.123 119.819 120.400 -0.764 0.000 2.378 220 K HA 0.476 4.796 4.320 -0.000 0.000 0.252 220 K C -0.763 175.643 176.600 -0.323 0.000 0.931 220 K CA -0.519 55.493 56.287 -0.458 0.000 0.794 220 K CB 2.709 35.073 32.500 -0.226 0.000 1.181 220 K HN 0.301 nan 8.250 nan 0.000 0.425 221 I N 3.751 124.224 120.570 -0.161 0.000 2.519 221 I HA 0.291 4.460 4.170 -0.000 0.000 0.287 221 I C 0.100 176.189 176.117 -0.047 0.000 1.047 221 I CA -0.260 61.020 61.300 -0.033 0.000 1.381 221 I CB 0.475 38.445 38.000 -0.049 0.000 1.417 221 I HN 0.383 nan 8.210 nan 0.000 0.540 222 I N 3.516 124.085 120.570 -0.001 0.000 2.769 222 I HA 0.242 4.412 4.170 -0.000 0.000 0.298 222 I C 0.307 176.462 176.117 0.063 0.000 1.128 222 I CA -0.573 60.734 61.300 0.012 0.000 1.031 222 I CB 2.672 40.683 38.000 0.019 0.000 1.235 222 I HN 0.630 nan 8.210 nan 0.000 0.423 223 T N 1.033 115.644 114.554 0.095 0.000 2.810 223 T HA 0.237 4.587 4.350 -0.000 0.000 0.277 223 T C 1.062 175.860 174.700 0.162 0.000 0.973 223 T CA -0.552 61.667 62.100 0.198 0.000 0.949 223 T CB 1.347 70.379 68.868 0.275 0.000 1.075 223 T HN 0.262 nan 8.240 nan 0.000 0.537 224 V N 1.064 121.098 119.914 0.200 0.000 2.720 224 V HA -0.056 4.064 4.120 -0.000 0.000 0.256 224 V C 1.111 177.278 176.094 0.121 0.000 1.082 224 V CA 1.972 64.370 62.300 0.162 0.000 1.101 224 V CB -0.971 31.002 31.823 0.251 0.000 0.693 224 V HN 0.905 nan 8.190 nan 0.000 0.479 225 D N 0.053 120.524 120.400 0.118 0.000 2.525 225 D HA 0.409 5.049 4.640 -0.000 0.000 0.229 225 D C 0.944 177.285 176.300 0.069 0.000 1.202 225 D CA 0.515 54.565 54.000 0.083 0.000 0.828 225 D CB 0.270 41.116 40.800 0.077 0.000 1.008 225 D HN 0.337 nan 8.370 nan 0.000 0.493 226 G N 2.098 110.939 108.800 0.068 0.000 2.269 226 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.237 226 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.237 226 G C -0.966 173.959 174.900 0.041 0.000 0.761 226 G CA -0.203 44.926 45.100 0.048 0.000 1.141 226 G HN 0.284 nan 8.290 nan 0.000 0.319 227 D N 1.359 121.783 120.400 0.040 0.000 2.763 227 D HA 0.312 4.952 4.640 -0.000 0.000 0.235 227 D C 0.289 176.586 176.300 -0.005 0.000 1.334 227 D CA -0.704 53.311 54.000 0.025 0.000 0.950 227 D CB 1.503 42.333 40.800 0.049 0.000 1.433 227 D HN 0.500 nan 8.370 nan 0.000 0.580 228 E N 1.624 121.812 120.200 -0.020 0.000 2.653 228 E HA -0.031 4.319 4.350 -0.000 0.000 0.264 228 E C 0.025 176.584 176.600 -0.067 0.000 0.949 228 E CA 0.741 57.114 56.400 -0.045 0.000 0.953 228 E CB 0.464 30.139 29.700 -0.042 0.000 0.925 228 E HN 0.652 nan 8.360 nan 0.000 0.475 229 I N 1.600 122.109 120.570 -0.101 0.000 4.724 229 I HA 0.321 4.491 4.170 -0.000 0.000 0.398 229 I C 0.171 176.181 176.117 -0.178 0.000 1.074 229 I CA 0.675 61.879 61.300 -0.160 0.000 1.395 229 I CB 0.013 37.871 38.000 -0.236 0.000 2.372 229 I HN 0.605 nan 8.210 nan 0.000 0.746 230 G N 0.830 109.550 108.800 -0.134 0.000 2.322 230 G HA2 0.396 4.356 3.960 -0.000 0.000 0.295 230 G HA3 0.396 4.356 3.960 -0.000 0.000 0.295 230 G C -1.729 173.109 174.900 -0.102 0.000 1.369 230 G CA -0.330 44.702 45.100 -0.114 0.000 0.821 230 G HN 0.083 nan 8.290 nan 0.000 0.536 231 E N -1.122 119.036 120.200 -0.070 0.000 2.754 231 E HA 0.701 5.051 4.350 -0.000 0.000 0.224 231 E C 0.504 177.134 176.600 0.050 0.000 0.851 231 E CA -0.567 55.778 56.400 -0.092 0.000 1.047 231 E CB 0.969 30.626 29.700 -0.071 0.000 1.584 231 E HN 0.610 nan 8.360 nan 0.000 0.429 232 H N -2.327 116.700 119.070 -0.072 0.000 2.269 232 H HA 0.160 4.716 4.556 -0.000 0.000 0.216 232 H C -0.098 175.176 175.328 -0.090 0.000 0.985 232 H CA -0.046 55.961 56.048 -0.069 0.000 1.274 232 H CB 0.669 30.384 29.762 -0.078 0.000 1.283 232 H HN 0.188 nan 8.280 nan 0.000 0.491 233 Q N -0.758 119.042 119.800 0.000 0.000 2.393 233 Q HA -0.092 4.248 4.340 -0.000 0.000 0.181 233 Q C 0.232 175.964 176.000 -0.447 0.000 0.594 233 Q CA 1.074 56.743 55.803 -0.223 0.000 1.339 233 Q CB -1.567 26.996 28.738 -0.292 0.000 1.164 233 Q HN 0.817 nan 8.270 nan 0.000 0.974 234 G N -0.971 107.710 108.800 -0.198 0.000 2.353 234 G HA2 0.311 4.271 3.960 -0.000 0.000 0.308 234 G HA3 0.311 4.271 3.960 -0.000 0.000 0.308 234 G C -0.737 174.173 174.900 0.017 0.000 1.418 234 G CA -0.285 44.757 45.100 -0.097 0.000 0.966 234 G HN 0.128 nan 8.290 nan 0.000 0.638 235 L N 0.936 122.219 121.223 0.100 0.000 2.731 235 L HA 0.429 4.769 4.340 -0.000 0.000 0.240 235 L C 2.492 179.489 176.870 0.212 0.000 1.120 235 L CA 1.155 55.994 54.840 -0.002 0.000 0.913 235 L CB 0.125 42.155 42.059 -0.047 0.000 1.213 235 L HN 0.756 nan 8.230 nan 0.000 0.515 236 M N -2.897 116.919 119.600 0.359 0.000 2.595 236 M HA 0.046 4.526 4.480 -0.000 0.000 0.248 236 M C 0.463 177.019 176.300 0.427 0.000 1.119 236 M CA 1.195 56.741 55.300 0.409 0.000 1.079 236 M CB -0.523 32.301 32.600 0.372 0.000 1.472 236 M HN 0.111 nan 8.290 nan 0.000 0.501 237 Y N 0.582 120.997 120.300 0.191 0.000 2.490 237 Y HA 0.253 4.802 4.550 -0.000 0.000 0.281 237 Y C -0.050 175.778 175.900 -0.121 0.000 1.174 237 Y CA -0.082 58.062 58.100 0.073 0.000 1.295 237 Y CB -0.441 38.022 38.460 0.005 0.000 1.062 237 Y HN 0.404 nan 8.280 nan 0.000 0.522 238 H N -2.383 116.817 119.070 0.216 0.000 2.821 238 H HA 0.577 5.133 4.556 -0.000 0.000 0.373 238 H C -0.359 175.025 175.328 0.094 0.000 1.165 238 H CA -1.092 55.037 56.048 0.135 0.000 1.154 238 H CB 2.061 31.864 29.762 0.067 0.000 1.765 238 H HN -0.201 nan 8.280 nan 0.000 0.549 239 T N 1.032 115.705 114.554 0.198 0.000 2.906 239 T HA 0.459 4.809 4.350 -0.000 0.000 0.295 239 T C -0.821 173.940 174.700 0.101 0.000 1.075 239 T CA -0.925 61.237 62.100 0.103 0.000 1.005 239 T CB 0.686 69.589 68.868 0.057 0.000 1.136 239 T HN 0.439 nan 8.240 nan 0.000 0.498 240 L N 2.988 124.243 121.223 0.053 0.000 2.490 240 L HA 0.376 4.716 4.340 -0.000 0.000 0.274 240 L C 1.843 178.741 176.870 0.048 0.000 1.201 240 L CA 0.782 55.650 54.840 0.046 0.000 0.869 240 L CB -0.034 42.030 42.059 0.008 0.000 1.123 240 L HN 1.180 nan 8.230 nan 0.000 0.484 241 G N 1.937 110.780 108.800 0.071 0.000 2.217 241 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.246 241 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.246 241 G C 0.351 175.349 174.900 0.163 0.000 0.990 241 G CA 0.109 45.238 45.100 0.049 0.000 0.627 241 G HN 0.655 nan 8.290 nan 0.000 0.522 242 Q N 0.730 120.647 119.800 0.194 0.000 2.271 242 Q HA 0.470 4.810 4.340 -0.000 0.000 0.273 242 Q C 1.553 177.759 176.000 0.342 0.000 1.051 242 Q CA 0.236 56.177 55.803 0.229 0.000 0.901 242 Q CB 0.463 29.317 28.738 0.194 0.000 1.174 242 Q HN 0.603 nan 8.270 nan 0.000 0.385 243 R N 3.858 124.577 120.500 0.365 0.000 2.039 243 R HA 0.090 4.430 4.340 -0.000 0.000 0.218 243 R C -0.086 176.336 176.300 0.203 0.000 1.220 243 R CA 0.253 56.568 56.100 0.357 0.000 0.993 243 R CB 0.203 30.756 30.300 0.421 0.000 0.881 243 R HN 0.472 nan 8.270 nan 0.000 0.450 244 K N -0.051 120.444 120.400 0.159 0.000 2.494 244 K HA 0.064 4.384 4.320 -0.000 0.000 0.273 244 K C 0.445 177.115 176.600 0.116 0.000 0.970 244 K CA 1.010 57.366 56.287 0.114 0.000 0.963 244 K CB 0.536 33.089 32.500 0.090 0.000 0.913 244 K HN 0.666 nan 8.250 nan 0.000 0.502 245 G N 0.798 109.659 108.800 0.102 0.000 2.493 245 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.206 245 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.206 245 G C 0.946 175.956 174.900 0.184 0.000 1.109 245 G CA 0.080 45.243 45.100 0.105 0.000 0.689 245 G HN 0.465 nan 8.290 nan 0.000 0.516 246 L N 1.286 122.634 121.223 0.207 0.000 1.970 246 L HA 0.288 4.628 4.340 -0.000 0.000 0.212 246 L C 1.986 178.881 176.870 0.042 0.000 1.071 246 L CA 1.792 56.717 54.840 0.142 0.000 0.751 246 L CB -1.171 40.937 42.059 0.081 0.000 0.889 246 L HN 1.717 nan 8.230 nan 0.000 0.432 247 G N 1.136 109.944 108.800 0.013 0.000 2.799 247 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.271 247 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.271 247 G C -0.645 174.194 174.900 -0.102 0.000 1.067 247 G CA -0.348 44.741 45.100 -0.019 0.000 1.251 247 G HN 0.225 nan 8.290 nan 0.000 0.560 248 I N -0.057 120.431 120.570 -0.137 0.000 2.730 248 I HA 0.666 4.836 4.170 -0.000 0.000 0.298 248 I C 1.089 177.159 176.117 -0.080 0.000 1.089 248 I CA -0.621 60.516 61.300 -0.273 0.000 1.041 248 I CB 2.346 39.859 38.000 -0.811 0.000 1.235 248 I HN 0.359 nan 8.210 nan 0.000 0.423 249 G N 2.617 111.393 108.800 -0.040 0.000 3.377 249 G HA2 0.484 4.444 3.960 -0.000 0.000 0.257 249 G HA3 0.484 4.444 3.960 -0.000 0.000 0.257 249 G C 0.574 175.554 174.900 0.132 0.000 1.038 249 G CA 0.017 45.152 45.100 0.058 0.000 0.809 249 G HN 1.051 nan 8.290 nan 0.000 0.526 250 G N -0.503 108.443 108.800 0.243 0.000 3.044 250 G HA2 0.076 4.036 3.960 -0.000 0.000 0.648 250 G HA3 0.076 4.036 3.960 -0.000 0.000 0.648 250 G C 0.046 175.039 174.900 0.155 0.000 1.620 250 G CA 0.229 45.510 45.100 0.301 0.000 1.109 250 G HN 0.719 nan 8.290 nan 0.000 0.587 251 T N 0.421 115.061 114.554 0.142 0.000 2.420 251 T HA 0.377 4.727 4.350 -0.000 0.000 0.183 251 T C 0.700 175.439 174.700 0.066 0.000 0.729 251 T CA 0.185 62.334 62.100 0.083 0.000 1.365 251 T CB 0.206 69.114 68.868 0.067 0.000 2.215 251 T HN 0.762 nan 8.240 nan 0.000 0.423 252 K N 3.315 123.748 120.400 0.055 0.000 3.245 252 K HA 0.179 4.499 4.320 -0.000 0.000 0.285 252 K C -0.171 176.453 176.600 0.040 0.000 1.156 252 K CA 0.128 56.438 56.287 0.039 0.000 1.162 252 K CB -1.443 31.075 32.500 0.030 0.000 1.365 252 K HN 0.670 nan 8.250 nan 0.000 0.316 253 E N -2.594 117.632 120.200 0.044 0.000 2.421 253 E HA 0.273 4.623 4.350 -0.000 0.000 0.281 253 E C 0.081 176.695 176.600 0.023 0.000 1.260 253 E CA -0.487 55.927 56.400 0.024 0.000 1.021 253 E CB -0.573 29.148 29.700 0.036 0.000 1.325 253 E HN 0.147 nan 8.360 nan 0.000 0.388 254 G N -0.023 108.738 108.800 -0.065 0.000 2.316 254 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.203 254 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.203 254 G C 0.763 175.561 174.900 -0.170 0.000 0.999 254 G CA 0.717 45.716 45.100 -0.169 0.000 0.649 254 G HN 1.761 nan 8.290 nan 0.000 0.489 255 T N -0.776 113.723 114.554 -0.092 0.000 4.881 255 T HA -0.325 4.025 4.350 -0.000 0.000 0.318 255 T C 1.018 175.677 174.700 -0.068 0.000 1.054 255 T CA 2.411 64.466 62.100 -0.075 0.000 2.138 255 T CB -2.049 66.764 68.868 -0.092 0.000 2.039 255 T HN 1.780 nan 8.240 nan 0.000 0.926 256 E N -0.598 119.567 120.200 -0.059 0.000 4.205 256 E HA -0.305 4.045 4.350 -0.000 0.000 0.310 256 E C 0.312 176.874 176.600 -0.065 0.000 0.654 256 E CA 1.852 58.234 56.400 -0.031 0.000 1.279 256 E CB -1.421 28.273 29.700 -0.010 0.000 1.720 256 E HN 1.041 nan 8.360 nan 0.000 0.403 257 E N 3.183 123.318 120.200 -0.108 0.000 2.481 257 E HA 0.091 4.441 4.350 -0.000 0.000 0.263 257 E C -2.049 174.419 176.600 -0.220 0.000 0.992 257 E CA -1.093 55.236 56.400 -0.118 0.000 0.938 257 E CB -0.050 29.592 29.700 -0.096 0.000 0.933 257 E HN 0.040 nan 8.360 nan 0.000 0.453 258 P HA -0.099 nan 4.420 nan 0.000 0.271 258 P C -1.009 175.975 177.300 -0.526 0.000 1.233 258 P CA 0.114 63.052 63.100 -0.270 0.000 0.795 258 P CB 0.358 31.888 31.700 -0.284 0.000 0.936 259 W N 0.075 121.116 121.300 -0.430 0.000 2.469 259 W HA 0.405 5.065 4.660 -0.000 0.000 0.320 259 W C -0.361 175.907 176.519 -0.418 0.000 1.086 259 W CA 0.230 57.382 57.345 -0.323 0.000 1.211 259 W CB 0.622 30.016 29.460 -0.109 0.000 1.298 259 W HN 0.245 nan 8.180 nan 0.000 0.525 260 Y N 1.274 121.753 120.300 0.299 0.000 2.446 260 Y HA 0.467 5.017 4.550 -0.000 0.000 0.345 260 Y C 0.087 176.101 175.900 0.190 0.000 0.984 260 Y CA -1.783 56.450 58.100 0.221 0.000 1.058 260 Y CB 0.960 39.527 38.460 0.178 0.000 1.220 260 Y HN -0.033 nan 8.280 nan 0.000 0.455 261 V N 4.007 124.119 119.914 0.331 0.000 2.479 261 V HA 0.008 4.128 4.120 -0.000 0.000 0.281 261 V C 0.542 176.719 176.094 0.138 0.000 1.031 261 V CA 0.308 62.729 62.300 0.201 0.000 1.038 261 V CB 0.537 32.468 31.823 0.180 0.000 0.981 261 V HN 0.846 nan 8.190 nan 0.000 0.478 262 V N 3.301 123.268 119.914 0.088 0.000 3.263 262 V HA 0.238 4.358 4.120 -0.000 0.000 0.248 262 V C 0.443 176.539 176.094 0.002 0.000 1.145 262 V CA 0.901 63.210 62.300 0.015 0.000 1.107 262 V CB 0.161 31.956 31.823 -0.046 0.000 0.797 262 V HN 0.918 nan 8.190 nan 0.000 0.467 263 D N -0.688 119.723 120.400 0.019 0.000 2.599 263 D HA 0.436 5.076 4.640 -0.000 0.000 0.252 263 D C -1.154 175.153 176.300 0.011 0.000 1.232 263 D CA -0.488 53.518 54.000 0.009 0.000 0.819 263 D CB 2.589 43.394 40.800 0.007 0.000 1.401 263 D HN 0.071 nan 8.370 nan 0.000 0.429 264 K N 0.903 121.307 120.400 0.005 0.000 2.541 264 K HA 0.285 4.605 4.320 -0.000 0.000 0.250 264 K C -1.440 175.168 176.600 0.013 0.000 0.950 264 K CA -0.686 55.602 56.287 0.001 0.000 0.805 264 K CB 2.114 34.609 32.500 -0.009 0.000 1.166 264 K HN 0.075 nan 8.250 nan 0.000 0.430 265 D N 3.467 123.886 120.400 0.032 0.000 2.499 265 D HA 0.081 4.721 4.640 -0.000 0.000 0.225 265 D C 1.088 177.414 176.300 0.043 0.000 1.124 265 D CA -0.374 53.646 54.000 0.034 0.000 0.938 265 D CB 0.938 41.761 40.800 0.039 0.000 1.014 265 D HN 0.236 nan 8.370 nan 0.000 0.517 266 V N 3.128 123.060 119.914 0.029 0.000 2.324 266 V HA -0.267 3.853 4.120 -0.000 0.000 0.250 266 V C 2.330 178.445 176.094 0.036 0.000 1.060 266 V CA 1.609 63.929 62.300 0.034 0.000 1.042 266 V CB -0.524 31.311 31.823 0.020 0.000 0.650 266 V HN 0.525 nan 8.190 nan 0.000 0.450 267 E N 1.282 121.497 120.200 0.026 0.000 2.077 267 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 267 E C 1.408 178.023 176.600 0.025 0.000 0.989 267 E CA 1.451 57.864 56.400 0.023 0.000 0.800 267 E CB -0.669 29.041 29.700 0.016 0.000 0.746 267 E HN 0.707 nan 8.360 nan 0.000 0.452 268 N N 1.003 119.720 118.700 0.028 0.000 2.236 268 N HA -0.022 4.718 4.740 -0.000 0.000 0.196 268 N C -0.104 175.428 175.510 0.036 0.000 1.114 268 N CA 0.037 53.101 53.050 0.024 0.000 0.859 268 N CB 0.033 38.531 38.487 0.018 0.000 0.982 268 N HN 0.292 nan 8.380 nan 0.000 0.493 269 N N 0.717 119.459 118.700 0.070 0.000 2.725 269 N HA -0.179 4.561 4.740 -0.000 0.000 0.251 269 N C -1.211 174.410 175.510 0.186 0.000 1.031 269 N CA 0.109 53.242 53.050 0.138 0.000 0.720 269 N CB -0.840 37.701 38.487 0.091 0.000 0.930 269 N HN 0.280 nan 8.380 nan 0.000 0.543 270 I N 1.557 122.230 120.570 0.172 0.000 2.406 270 I HA 0.260 4.430 4.170 -0.000 0.000 0.290 270 I C -0.306 175.925 176.117 0.190 0.000 0.999 270 I CA -0.836 60.548 61.300 0.140 0.000 1.124 270 I CB 1.642 39.675 38.000 0.055 0.000 1.289 270 I HN 0.019 nan 8.210 nan 0.000 0.441 271 L N 8.652 130.052 121.223 0.295 0.000 2.276 271 L HA 0.468 4.808 4.340 -0.000 0.000 0.286 271 L C -0.469 176.445 176.870 0.075 0.000 1.024 271 L CA -0.320 54.591 54.840 0.118 0.000 0.826 271 L CB 1.273 43.331 42.059 -0.002 0.000 1.211 271 L HN 0.272 nan 8.230 nan 0.000 0.422 272 V N 5.969 125.915 119.914 0.055 0.000 2.546 272 V HA 0.576 4.696 4.120 -0.000 0.000 0.284 272 V C 0.181 176.335 176.094 0.099 0.000 1.050 272 V CA -0.091 62.252 62.300 0.072 0.000 0.981 272 V CB 1.481 33.338 31.823 0.058 0.000 0.990 272 V HN 0.675 nan 8.190 nan 0.000 0.474 273 V N 1.948 121.960 119.914 0.164 0.000 3.141 273 V HA 1.113 5.232 4.120 -0.000 0.000 0.312 273 V C -0.268 176.043 176.094 0.363 0.000 1.157 273 V CA -0.135 62.324 62.300 0.266 0.000 1.041 273 V CB 1.739 33.751 31.823 0.316 0.000 1.071 273 V HN 1.172 nan 8.190 nan 0.000 0.441 274 A N 0.930 123.986 122.820 0.393 0.000 3.065 274 A HA 0.914 5.234 4.320 -0.000 0.000 0.293 274 A C -1.145 176.445 177.584 0.010 0.000 1.213 274 A CA -0.736 51.488 52.037 0.312 0.000 0.667 274 A CB 1.541 20.791 19.000 0.417 0.000 1.412 274 A HN 0.919 nan 8.150 nan 0.000 0.601 275 Q N -1.181 118.593 119.800 -0.043 0.000 2.268 275 Q HA 0.512 4.852 4.340 -0.000 0.000 0.266 275 Q C -0.818 175.158 176.000 -0.039 0.000 1.006 275 Q CA 0.031 55.651 55.803 -0.305 0.000 0.824 275 Q CB 2.352 30.637 28.738 -0.754 0.000 1.306 275 Q HN 2.286 nan 8.270 nan 0.000 0.424 276 G N 1.508 110.377 108.800 0.114 0.000 3.448 276 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.685 276 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.685 276 G C -0.341 174.804 174.900 0.407 0.000 1.151 276 G CA -0.706 44.528 45.100 0.223 0.000 1.023 276 G HN 0.842 nan 8.290 nan 0.000 0.499 277 H N 0.717 119.994 119.070 0.346 0.000 2.561 277 H HA 0.017 4.573 4.556 -0.000 0.000 0.289 277 H C 1.837 177.132 175.328 -0.055 0.000 1.054 277 H CA 1.897 57.897 56.048 -0.079 0.000 1.210 277 H CB 0.522 30.202 29.762 -0.136 0.000 1.353 277 H HN 0.526 nan 8.280 nan 0.000 0.601 278 E N -1.129 119.109 120.200 0.064 0.000 2.630 278 E HA -0.015 4.335 4.350 -0.000 0.000 0.218 278 E C -0.242 176.402 176.600 0.074 0.000 0.977 278 E CA -0.244 56.163 56.400 0.012 0.000 1.038 278 E CB -0.129 29.586 29.700 0.025 0.000 1.051 278 E HN 0.638 nan 8.360 nan 0.000 0.487 279 H N 2.177 121.242 119.070 -0.007 0.000 3.034 279 H HA -0.015 4.541 4.556 -0.000 0.000 0.324 279 H C -1.514 173.805 175.328 -0.015 0.000 1.015 279 H CA -1.222 54.825 56.048 -0.003 0.000 1.429 279 H CB 1.295 31.072 29.762 0.024 0.000 1.429 279 H HN -0.207 nan 8.280 nan 0.000 0.585 280 P HA -0.160 nan 4.420 nan 0.000 0.220 280 P C 0.956 178.275 177.300 0.031 0.000 1.144 280 P CA 1.370 64.593 63.100 0.204 0.000 0.800 280 P CB 0.083 31.904 31.700 0.200 0.000 0.772 281 R N -1.146 119.213 120.500 -0.236 0.000 2.334 281 R HA 0.142 4.482 4.340 -0.000 0.000 0.220 281 R C 1.232 177.378 176.300 -0.256 0.000 0.917 281 R CA 0.087 56.005 56.100 -0.303 0.000 1.073 281 R CB -0.308 29.740 30.300 -0.421 0.000 1.056 281 R HN 0.138 nan 8.270 nan 0.000 0.506 282 L N -0.148 120.947 121.223 -0.212 0.000 2.609 282 L HA 0.290 4.630 4.340 -0.000 0.000 0.230 282 L C -0.175 176.633 176.870 -0.104 0.000 1.087 282 L CA 0.428 55.181 54.840 -0.146 0.000 0.874 282 L CB 0.463 42.431 42.059 -0.152 0.000 1.114 282 L HN -0.001 nan 8.230 nan 0.000 0.488 283 M N -0.700 118.859 119.600 -0.070 0.000 2.359 283 M HA 0.425 4.905 4.480 -0.000 0.000 0.322 283 M C 0.066 176.369 176.300 0.005 0.000 1.166 283 M CA 0.014 55.296 55.300 -0.030 0.000 1.067 283 M CB 1.026 33.619 32.600 -0.011 0.000 1.523 283 M HN -0.064 nan 8.290 nan 0.000 0.467 284 S N 0.081 115.818 115.700 0.063 0.000 2.618 284 S HA 0.638 5.108 4.470 -0.000 0.000 0.277 284 S C 0.666 175.349 174.600 0.139 0.000 1.138 284 S CA -0.864 57.384 58.200 0.081 0.000 0.844 284 S CB 2.084 65.348 63.200 0.107 0.000 1.127 284 S HN 0.464 nan 8.310 nan 0.000 0.474 285 V N -0.279 119.633 119.914 -0.003 0.000 3.431 285 V HA 0.542 4.662 4.120 -0.000 0.000 0.253 285 V C 1.032 176.848 176.094 -0.463 0.000 1.184 285 V CA 0.871 63.140 62.300 -0.052 0.000 1.104 285 V CB -0.449 31.336 31.823 -0.063 0.000 0.799 285 V HN 1.033 nan 8.190 nan 0.000 0.462 286 G N 0.475 108.833 108.800 -0.738 0.000 2.428 286 G HA2 0.580 4.540 3.960 -0.000 0.000 0.305 286 G HA3 0.580 4.540 3.960 -0.000 0.000 0.305 286 G C -2.138 172.374 174.900 -0.647 0.000 1.260 286 G CA 0.083 44.444 45.100 -1.232 0.000 0.853 286 G HN 0.393 nan 8.290 nan 0.000 0.480 287 L N -2.797 118.186 121.223 -0.401 0.000 2.933 287 L HA 0.903 5.243 4.340 -0.000 0.000 0.271 287 L C -1.474 175.351 176.870 -0.075 0.000 1.071 287 L CA -1.290 53.457 54.840 -0.155 0.000 0.938 287 L CB 0.824 42.853 42.059 -0.051 0.000 1.534 287 L HN 0.531 nan 8.230 nan 0.000 0.396 288 I N 1.016 121.567 120.570 -0.032 0.000 2.439 288 I HA 0.817 4.987 4.170 -0.000 0.000 0.283 288 I C -0.109 176.013 176.117 0.009 0.000 1.023 288 I CA -0.350 60.946 61.300 -0.007 0.000 1.100 288 I CB 1.571 39.559 38.000 -0.020 0.000 1.238 288 I HN 0.923 nan 8.210 nan 0.000 0.445 289 A N 6.762 129.605 122.820 0.039 0.000 2.312 289 A HA 0.877 5.197 4.320 -0.000 0.000 0.326 289 A C -0.408 177.173 177.584 -0.005 0.000 1.172 289 A CA -0.394 51.657 52.037 0.023 0.000 0.821 289 A CB 0.956 20.003 19.000 0.078 0.000 1.166 289 A HN 0.710 nan 8.150 nan 0.000 0.493 290 Q N 0.605 120.379 119.800 -0.043 0.000 2.605 290 Q HA 0.641 4.981 4.340 -0.000 0.000 0.296 290 Q C -1.044 174.885 176.000 -0.119 0.000 1.056 290 Q CA -0.986 54.781 55.803 -0.061 0.000 0.778 290 Q CB 0.927 29.640 28.738 -0.042 0.000 1.497 290 Q HN 0.666 nan 8.270 nan 0.000 0.443 291 Q N 0.173 119.885 119.800 -0.147 0.000 2.470 291 Q HA -0.139 4.201 4.340 -0.000 0.000 0.290 291 Q C -0.769 174.950 176.000 -0.470 0.000 1.353 291 Q CA 0.390 56.050 55.803 -0.238 0.000 0.787 291 Q CB -2.006 26.642 28.738 -0.151 0.000 1.158 291 Q HN 0.513 nan 8.270 nan 0.000 0.426 292 L N 0.715 121.679 121.223 -0.431 0.000 2.472 292 L HA 0.403 4.743 4.340 -0.000 0.000 0.260 292 L C 0.569 176.945 176.870 -0.824 0.000 1.209 292 L CA -0.177 54.312 54.840 -0.583 0.000 0.817 292 L CB 0.382 42.210 42.059 -0.386 0.000 1.106 292 L HN 0.190 nan 8.230 nan 0.000 0.479 293 H N 0.265 118.968 119.070 -0.611 0.000 3.083 293 H HA 0.237 4.792 4.556 -0.000 0.000 0.339 293 H C -1.749 173.167 175.328 -0.686 0.000 1.020 293 H CA -0.896 54.882 56.048 -0.450 0.000 1.360 293 H CB 0.970 30.602 29.762 -0.218 0.000 1.811 293 H HN 0.537 nan 8.280 nan 0.000 0.493 294 W N 3.371 124.718 121.300 0.078 0.000 2.362 294 W HA 0.342 5.002 4.660 0.001 0.000 0.316 294 W C 1.331 177.810 176.519 -0.066 0.000 1.024 294 W CA -0.773 56.559 57.345 -0.021 0.000 1.270 294 W CB 1.336 30.758 29.460 -0.064 0.000 1.273 294 W HN 0.379 nan 8.180 nan 0.000 0.424 295 V N 2.287 122.257 119.914 0.093 0.000 2.402 295 V HA -0.397 3.723 4.120 -0.000 0.000 0.264 295 V C 1.845 177.853 176.094 -0.142 0.000 1.112 295 V CA 2.589 64.880 62.300 -0.016 0.000 1.110 295 V CB -0.433 31.386 31.823 -0.007 0.000 0.689 295 V HN 0.711 nan 8.190 nan 0.000 0.459 296 D N -1.437 118.893 120.400 -0.116 0.000 2.336 296 D HA 0.012 4.652 4.640 -0.000 0.000 0.228 296 D C 1.153 177.271 176.300 -0.304 0.000 1.120 296 D CA -0.351 53.455 54.000 -0.324 0.000 0.839 296 D CB -0.343 40.372 40.800 -0.143 0.000 0.932 296 D HN 0.214 nan 8.370 nan 0.000 0.509 297 R N -0.525 119.891 120.500 -0.141 0.000 3.804 297 R HA -0.234 4.106 4.340 -0.000 0.000 0.286 297 R C -0.513 175.825 176.300 0.064 0.000 1.192 297 R CA 0.803 56.909 56.100 0.010 0.000 0.801 297 R CB -2.145 28.172 30.300 0.028 0.000 1.180 297 R HN 0.324 nan 8.270 nan 0.000 0.509 298 E N 0.977 121.210 120.200 0.056 0.000 2.115 298 E HA 0.266 4.616 4.350 -0.000 0.000 0.282 298 E C -2.187 174.451 176.600 0.064 0.000 0.987 298 E CA -2.649 53.773 56.400 0.038 0.000 0.797 298 E CB 0.684 30.374 29.700 -0.017 0.000 1.086 298 E HN -0.015 nan 8.360 nan 0.000 0.397 299 P HA -0.038 nan 4.420 nan 0.000 0.266 299 P C -0.628 176.684 177.300 0.020 0.000 1.195 299 P CA -0.104 63.067 63.100 0.118 0.000 0.768 299 P CB 0.278 32.029 31.700 0.085 0.000 0.838 300 F N 3.712 123.535 119.950 -0.212 0.000 2.405 300 F HA 0.452 4.979 4.527 -0.001 0.000 0.355 300 F C -0.123 175.559 175.800 -0.196 0.000 1.121 300 F CA -0.088 57.692 58.000 -0.365 0.000 1.112 300 F CB 0.749 39.329 39.000 -0.700 0.000 1.126 300 F HN 0.359 nan 8.300 nan 0.000 0.481 301 T N 2.622 116.731 114.554 -0.742 0.000 2.903 301 T HA 0.848 5.198 4.350 -0.000 0.000 0.299 301 T C -0.084 174.135 174.700 -0.802 0.000 1.093 301 T CA -0.221 61.425 62.100 -0.758 0.000 1.002 301 T CB 1.217 69.882 68.868 -0.339 0.000 1.127 301 T HN 1.623 nan 8.240 nan 0.000 0.488 302 G N 1.411 109.827 108.800 -0.640 0.000 2.466 302 G HA2 0.281 4.241 3.960 -0.000 0.000 0.218 302 G HA3 0.281 4.241 3.960 -0.000 0.000 0.218 302 G C -0.260 174.441 174.900 -0.333 0.000 1.237 302 G CA 0.160 45.036 45.100 -0.374 0.000 0.954 302 G HN 2.192 nan 8.290 nan 0.000 0.580 303 T N -2.121 112.392 114.554 -0.068 0.000 2.909 303 T HA 0.800 5.150 4.350 -0.000 0.000 0.299 303 T C -0.211 174.597 174.700 0.180 0.000 1.073 303 T CA 0.244 62.400 62.100 0.094 0.000 0.999 303 T CB 1.917 70.800 68.868 0.024 0.000 1.098 303 T HN 1.997 nan 8.240 nan 0.000 0.477 304 M N 0.288 119.999 119.600 0.185 0.000 2.531 304 M HA 0.815 5.295 4.480 -0.000 0.000 0.286 304 M C -1.240 175.075 176.300 0.025 0.000 1.232 304 M CA -1.065 54.268 55.300 0.056 0.000 0.877 304 M CB 2.490 35.038 32.600 -0.086 0.000 1.726 304 M HN 0.444 nan 8.290 nan 0.000 0.463 305 R N 1.706 122.213 120.500 0.013 0.000 2.247 305 R HA 0.689 5.029 4.340 -0.000 0.000 0.329 305 R C -0.920 175.398 176.300 0.030 0.000 1.014 305 R CA -0.102 56.016 56.100 0.030 0.000 0.907 305 R CB 0.484 30.800 30.300 0.027 0.000 1.146 305 R HN 1.010 nan 8.270 nan 0.000 0.499 306 C N -0.504 118.834 119.300 0.063 0.000 3.832 306 C HA 0.874 5.334 4.460 -0.000 0.000 0.330 306 C C -0.135 174.934 174.990 0.132 0.000 4.417 306 C CA -0.088 58.986 59.018 0.093 0.000 1.552 306 C CB 1.408 29.210 27.740 0.105 0.000 5.028 306 C HN 0.749 nan 8.230 nan 0.000 0.530 307 T N -1.449 113.211 114.554 0.177 0.000 2.864 307 T HA 0.778 5.128 4.350 -0.000 0.000 0.299 307 T C -1.049 173.732 174.700 0.134 0.000 1.166 307 T CA -0.390 61.792 62.100 0.136 0.000 1.007 307 T CB 1.188 70.110 68.868 0.090 0.000 1.219 307 T HN 1.290 nan 8.240 nan 0.000 0.506 308 V N 0.383 120.301 119.914 0.007 0.000 3.167 308 V HA 0.753 4.873 4.120 -0.000 0.000 0.310 308 V C -0.909 175.106 176.094 -0.131 0.000 1.207 308 V CA -1.197 60.988 62.300 -0.192 0.000 1.059 308 V CB 2.379 34.030 31.823 -0.286 0.000 1.079 308 V HN 0.997 nan 8.190 nan 0.000 0.446 309 K N 0.048 120.347 120.400 -0.168 0.000 2.535 309 K HA 0.464 4.784 4.320 -0.000 0.000 0.250 309 K C -0.276 176.257 176.600 -0.111 0.000 0.948 309 K CA -0.480 55.749 56.287 -0.097 0.000 0.796 309 K CB 2.177 34.722 32.500 0.075 0.000 1.216 309 K HN 0.692 nan 8.250 nan 0.000 0.432 310 T N 1.513 115.973 114.554 -0.156 0.000 3.044 310 T HA 0.127 4.477 4.350 -0.000 0.000 0.255 310 T C 0.196 174.836 174.700 -0.101 0.000 1.073 310 T CA 0.702 62.737 62.100 -0.108 0.000 1.125 310 T CB 0.217 69.017 68.868 -0.114 0.000 0.908 310 T HN 0.369 nan 8.240 nan 0.000 0.480 311 R N -0.446 119.913 120.500 -0.235 0.000 2.739 311 R HA 0.365 4.705 4.340 -0.000 0.000 0.271 311 R C -1.611 174.301 176.300 -0.646 0.000 1.010 311 R CA -0.896 55.014 56.100 -0.317 0.000 0.897 311 R CB 1.369 31.561 30.300 -0.179 0.000 1.236 311 R HN 0.105 nan 8.270 nan 0.000 0.466 312 Y N 1.965 121.703 120.300 -0.936 0.000 2.652 312 Y HA -0.106 4.444 4.550 -0.000 0.000 0.344 312 Y C 1.299 176.951 175.900 -0.413 0.000 1.254 312 Y CA 0.747 58.304 58.100 -0.905 0.000 1.480 312 Y CB 0.380 38.585 38.460 -0.425 0.000 1.345 312 Y HN 0.708 nan 8.280 nan 0.000 0.617 313 R N 0.983 120.935 120.500 -0.914 0.000 4.010 313 R HA -0.308 4.032 4.340 -0.000 0.000 0.409 313 R C 0.107 176.163 176.300 -0.408 0.000 1.120 313 R CA 1.407 57.069 56.100 -0.728 0.000 1.244 313 R CB -1.029 28.825 30.300 -0.743 0.000 1.799 313 R HN 0.892 nan 8.270 nan 0.000 0.559 314 Q N 1.634 121.217 119.800 -0.361 0.000 2.313 314 Q HA 0.087 4.427 4.340 -0.000 0.000 0.266 314 Q C -0.596 175.262 176.000 -0.238 0.000 0.989 314 Q CA 0.348 55.990 55.803 -0.268 0.000 0.890 314 Q CB 0.791 29.374 28.738 -0.258 0.000 1.200 314 Q HN 0.098 nan 8.270 nan 0.000 0.396 315 T N 3.618 118.050 114.554 -0.204 0.000 2.940 315 T HA 0.004 4.354 4.350 -0.000 0.000 0.309 315 T C -0.313 174.281 174.700 -0.176 0.000 1.056 315 T CA -0.529 61.462 62.100 -0.182 0.000 1.137 315 T CB 0.308 69.085 68.868 -0.153 0.000 0.976 315 T HN 0.565 nan 8.240 nan 0.000 0.547 316 D N 1.805 122.107 120.400 -0.163 0.000 2.548 316 D HA 0.147 4.787 4.640 -0.000 0.000 0.231 316 D C 0.310 176.532 176.300 -0.129 0.000 1.142 316 D CA 0.433 54.352 54.000 -0.134 0.000 0.866 316 D CB 0.158 40.886 40.800 -0.121 0.000 1.190 316 D HN 0.571 nan 8.370 nan 0.000 0.469 317 I N -0.523 119.969 120.570 -0.130 0.000 2.468 317 I HA 0.482 4.652 4.170 -0.000 0.000 0.284 317 I C -2.847 173.230 176.117 -0.066 0.000 1.038 317 I CA -2.507 58.701 61.300 -0.153 0.000 1.083 317 I CB 2.287 40.094 38.000 -0.321 0.000 1.223 317 I HN 0.014 nan 8.210 nan 0.000 0.443 318 P HA 0.146 nan 4.420 nan 0.000 0.268 318 P C -0.485 176.871 177.300 0.092 0.000 1.208 318 P CA 0.008 63.129 63.100 0.035 0.000 0.777 318 P CB 0.522 32.235 31.700 0.023 0.000 0.875 319 C N -1.644 117.734 119.300 0.130 0.000 3.295 319 C HA 0.687 5.147 4.460 -0.000 0.000 0.341 319 C C -1.067 174.010 174.990 0.145 0.000 1.418 319 C CA -0.534 58.598 59.018 0.189 0.000 1.240 319 C CB 1.021 28.944 27.740 0.306 0.000 1.562 319 C HN 0.485 nan 8.230 nan 0.000 0.457 320 T N 1.642 116.277 114.554 0.136 0.000 2.815 320 T HA 0.606 4.955 4.350 -0.000 0.000 0.289 320 T C -0.500 174.263 174.700 0.105 0.000 1.000 320 T CA -0.271 61.886 62.100 0.096 0.000 0.958 320 T CB 1.235 70.143 68.868 0.065 0.000 0.944 320 T HN 0.776 nan 8.240 nan 0.000 0.442 321 V N 4.170 124.146 119.914 0.103 0.000 2.394 321 V HA 0.488 4.608 4.120 -0.000 0.000 0.282 321 V C 0.219 176.432 176.094 0.197 0.000 1.031 321 V CA -0.768 61.603 62.300 0.117 0.000 0.881 321 V CB 1.462 33.260 31.823 -0.041 0.000 0.982 321 V HN 0.698 nan 8.190 nan 0.000 0.451 322 K N 3.726 124.217 120.400 0.152 0.000 2.358 322 K HA 0.654 4.974 4.320 -0.000 0.000 0.260 322 K C 0.150 176.762 176.600 0.021 0.000 0.956 322 K CA -0.690 55.639 56.287 0.069 0.000 0.834 322 K CB 1.536 34.041 32.500 0.009 0.000 1.102 322 K HN 0.797 nan 8.250 nan 0.000 0.431 323 A N 5.821 128.504 122.820 -0.230 0.000 3.017 323 A HA -0.008 4.311 4.320 -0.000 0.000 0.283 323 A C 1.104 178.571 177.584 -0.195 0.000 1.892 323 A CA -0.126 51.660 52.037 -0.420 0.000 1.469 323 A CB -0.617 17.865 19.000 -0.863 0.000 0.999 323 A HN 0.879 nan 8.150 nan 0.000 0.605 324 L N 1.327 122.504 121.223 -0.077 0.000 1.978 324 L HA -0.112 4.228 4.340 -0.000 0.000 0.218 324 L C 1.110 177.938 176.870 -0.070 0.000 1.075 324 L CA 2.755 57.563 54.840 -0.055 0.000 0.767 324 L CB -0.464 41.584 42.059 -0.019 0.000 0.890 324 L HN 0.897 nan 8.230 nan 0.000 0.434 325 D N -4.964 115.400 120.400 -0.060 0.000 2.930 325 D HA -0.030 4.610 4.640 -0.000 0.000 0.337 325 D C 0.095 176.378 176.300 -0.028 0.000 1.392 325 D CA 0.153 54.119 54.000 -0.058 0.000 0.760 325 D CB -0.050 40.725 40.800 -0.042 0.000 1.343 325 D HN 0.135 nan 8.370 nan 0.000 0.460 326 D N 0.693 121.080 120.400 -0.022 0.000 1.637 326 D HA -0.366 4.274 4.640 -0.000 0.000 0.621 326 D C 0.639 176.958 176.300 0.031 0.000 0.674 326 D CA 2.774 56.774 54.000 0.001 0.000 1.736 326 D CB -0.797 40.002 40.800 -0.001 0.000 0.266 326 D HN 0.581 nan 8.370 nan 0.000 0.267 327 D N -0.406 120.011 120.400 0.028 0.000 2.520 327 D HA 0.113 4.753 4.640 -0.000 0.000 0.223 327 D C 0.331 176.649 176.300 0.030 0.000 1.186 327 D CA -0.325 53.697 54.000 0.037 0.000 0.821 327 D CB 0.543 41.346 40.800 0.006 0.000 1.072 327 D HN 0.163 nan 8.370 nan 0.000 0.518 328 R N 0.807 121.321 120.500 0.024 0.000 2.457 328 R HA 0.582 4.922 4.340 -0.000 0.000 0.284 328 R C -0.962 175.368 176.300 0.050 0.000 1.024 328 R CA -0.485 55.627 56.100 0.020 0.000 1.025 328 R CB 0.944 31.245 30.300 0.001 0.000 1.063 328 R HN 0.182 nan 8.270 nan 0.000 0.493 329 I N 1.656 122.262 120.570 0.060 0.000 2.686 329 I HA 0.246 4.416 4.170 -0.000 0.000 0.295 329 I C -1.326 174.830 176.117 0.065 0.000 1.114 329 I CA -0.663 60.697 61.300 0.099 0.000 1.038 329 I CB 2.210 40.301 38.000 0.152 0.000 1.238 329 I HN 0.713 nan 8.210 nan 0.000 0.420 330 E N 6.636 126.872 120.200 0.060 0.000 2.141 330 E HA 0.440 4.790 4.350 -0.000 0.000 0.259 330 E C -1.759 174.864 176.600 0.038 0.000 0.883 330 E CA -0.594 55.820 56.400 0.023 0.000 0.744 330 E CB 1.578 31.276 29.700 -0.004 0.000 1.150 330 E HN 0.403 nan 8.360 nan 0.000 0.420 331 V N 6.354 126.282 119.914 0.023 0.000 2.407 331 V HA 0.369 4.489 4.120 -0.000 0.000 0.278 331 V C 0.175 176.188 176.094 -0.135 0.000 1.037 331 V CA -0.523 61.806 62.300 0.048 0.000 0.900 331 V CB 1.195 33.138 31.823 0.199 0.000 0.983 331 V HN 0.674 nan 8.190 nan 0.000 0.459 332 I N 5.382 125.924 120.570 -0.047 0.000 2.382 332 I HA 0.412 4.582 4.170 -0.000 0.000 0.285 332 I C 0.038 176.200 176.117 0.076 0.000 1.007 332 I CA -0.123 61.120 61.300 -0.094 0.000 1.142 332 I CB 0.977 38.964 38.000 -0.022 0.000 1.289 332 I HN 0.468 nan 8.210 nan 0.000 0.453 333 F N 4.067 124.032 119.950 0.025 0.000 2.472 333 F HA 0.043 4.570 4.527 -0.000 0.000 0.312 333 F C 1.079 176.884 175.800 0.008 0.000 1.256 333 F CA -0.358 57.649 58.000 0.013 0.000 1.275 333 F CB 0.637 39.634 39.000 -0.005 0.000 1.228 333 F HN 0.486 nan 8.300 nan 0.000 0.567 334 D N -0.494 120.038 120.400 0.221 0.000 2.441 334 D HA 0.149 4.789 4.640 -0.000 0.000 0.210 334 D C -0.678 175.671 176.300 0.080 0.000 1.102 334 D CA 0.515 54.581 54.000 0.109 0.000 0.840 334 D CB 0.513 41.352 40.800 0.066 0.000 0.990 334 D HN 0.351 nan 8.370 nan 0.000 0.505 335 E N -0.545 119.714 120.200 0.098 0.000 2.363 335 E HA 0.341 4.691 4.350 -0.000 0.000 0.281 335 E C -2.687 173.963 176.600 0.084 0.000 0.953 335 E CA -1.795 54.637 56.400 0.054 0.000 0.778 335 E CB 2.001 31.699 29.700 -0.003 0.000 1.220 335 E HN -0.241 nan 8.360 nan 0.000 0.431 336 P HA -0.023 nan 4.420 nan 0.000 0.265 336 P C -0.904 176.413 177.300 0.027 0.000 1.187 336 P CA -0.062 63.101 63.100 0.105 0.000 0.766 336 P CB 0.518 32.248 31.700 0.049 0.000 0.820 337 V N 2.242 122.186 119.914 0.050 0.000 3.093 337 V HA 0.611 4.730 4.120 -0.000 0.000 0.320 337 V C 0.871 176.908 176.094 -0.095 0.000 1.093 337 V CA -0.272 61.945 62.300 -0.139 0.000 1.016 337 V CB 1.561 33.132 31.823 -0.420 0.000 1.096 337 V HN 0.738 nan 8.190 nan 0.000 0.452 338 A N 2.561 125.284 122.820 -0.160 0.000 3.370 338 A HA 0.511 4.831 4.320 -0.000 0.000 0.144 338 A C 1.020 178.519 177.584 -0.142 0.000 1.018 338 A CA 0.747 52.669 52.037 -0.192 0.000 1.131 338 A CB -0.905 17.954 19.000 -0.236 0.000 1.121 338 A HN 1.572 nan 8.150 nan 0.000 0.590 339 A N -0.118 122.611 122.820 -0.152 0.000 2.915 339 A HA 0.489 4.809 4.320 -0.000 0.000 0.292 339 A C -0.133 177.420 177.584 -0.052 0.000 1.632 339 A CA -0.262 51.718 52.037 -0.096 0.000 1.337 339 A CB -1.088 17.857 19.000 -0.091 0.000 1.111 339 A HN 0.572 nan 8.150 nan 0.000 0.569 340 V N 3.198 123.105 119.914 -0.011 0.000 2.479 340 V HA 0.152 4.272 4.120 -0.000 0.000 0.281 340 V C 0.543 176.637 176.094 -0.001 0.000 1.031 340 V CA 0.484 62.800 62.300 0.026 0.000 1.038 340 V CB 0.780 32.669 31.823 0.111 0.000 0.981 340 V HN 0.779 nan 8.190 nan 0.000 0.478 341 T N 8.614 123.159 114.554 -0.014 0.000 2.772 341 T HA 0.352 4.702 4.350 -0.000 0.000 0.288 341 T C -2.504 172.176 174.700 -0.033 0.000 0.994 341 T CA -1.294 60.790 62.100 -0.026 0.000 0.951 341 T CB 1.500 70.348 68.868 -0.034 0.000 0.933 341 T HN 0.496 nan 8.240 nan 0.000 0.447 342 P HA 0.280 nan 4.420 nan 0.000 0.271 342 P C 0.873 178.133 177.300 -0.066 0.000 1.226 342 P CA 0.416 63.489 63.100 -0.044 0.000 0.765 342 P CB 0.786 32.462 31.700 -0.040 0.000 0.835 343 G N 1.778 110.539 108.800 -0.065 0.000 2.255 343 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.196 343 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.196 343 G C 0.096 174.955 174.900 -0.068 0.000 0.998 343 G CA -0.422 44.626 45.100 -0.086 0.000 0.656 343 G HN 0.535 nan 8.290 nan 0.000 0.490 344 Q N 0.804 120.574 119.800 -0.050 0.000 2.205 344 Q HA 0.682 5.022 4.340 -0.000 0.000 0.249 344 Q C 0.148 176.130 176.000 -0.030 0.000 0.948 344 Q CA -0.171 55.617 55.803 -0.025 0.000 0.895 344 Q CB 1.556 30.283 28.738 -0.018 0.000 1.249 344 Q HN 0.266 nan 8.270 nan 0.000 0.458 345 S N 0.371 116.060 115.700 -0.018 0.000 2.601 345 S HA 0.586 5.056 4.470 -0.000 0.000 0.271 345 S C -0.542 173.927 174.600 -0.219 0.000 1.305 345 S CA -0.597 57.516 58.200 -0.145 0.000 1.022 345 S CB 0.996 64.103 63.200 -0.156 0.000 0.940 345 S HN 0.593 nan 8.310 nan 0.000 0.525 346 A N 2.298 124.870 122.820 -0.413 0.000 2.311 346 A HA 0.648 4.968 4.320 -0.000 0.000 0.306 346 A C -0.835 176.284 177.584 -0.775 0.000 1.189 346 A CA -0.601 51.170 52.037 -0.443 0.000 0.791 346 A CB 0.570 19.410 19.000 -0.266 0.000 1.172 346 A HN 0.576 nan 8.150 nan 0.000 0.481 347 V N 3.021 122.501 119.914 -0.724 0.000 2.417 347 V HA 0.534 4.654 4.120 -0.000 0.000 0.291 347 V C -0.940 174.692 176.094 -0.770 0.000 1.024 347 V CA -0.334 61.532 62.300 -0.723 0.000 0.861 347 V CB 0.951 32.466 31.823 -0.514 0.000 0.985 347 V HN 0.687 nan 8.190 nan 0.000 0.436 348 F N 4.063 123.838 119.950 -0.292 0.000 2.443 348 F HA 0.702 5.229 4.527 -0.000 0.000 0.335 348 F C -0.312 175.343 175.800 -0.242 0.000 1.104 348 F CA -0.893 57.037 58.000 -0.117 0.000 1.013 348 F CB 1.062 40.078 39.000 0.026 0.000 1.136 348 F HN 0.331 nan 8.300 nan 0.000 0.470 349 Y N 0.604 120.991 120.300 0.144 0.000 2.499 349 Y HA 0.353 4.902 4.550 -0.000 0.000 0.347 349 Y C -0.028 175.916 175.900 0.073 0.000 0.987 349 Y CA -1.143 57.013 58.100 0.093 0.000 1.044 349 Y CB 1.865 40.353 38.460 0.047 0.000 1.245 349 Y HN 0.545 nan 8.280 nan 0.000 0.461 350 N N 1.437 120.267 118.700 0.216 0.000 2.886 350 N HA 0.459 5.199 4.740 -0.000 0.000 0.285 350 N C 0.154 175.727 175.510 0.106 0.000 1.706 350 N CA 0.579 53.700 53.050 0.119 0.000 0.904 350 N CB 0.191 38.714 38.487 0.060 0.000 1.224 350 N HN 0.973 nan 8.380 nan 0.000 0.488 351 G N 1.571 110.434 108.800 0.105 0.000 2.754 351 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.241 351 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.241 351 G C 0.324 175.268 174.900 0.074 0.000 1.281 351 G CA 0.002 45.140 45.100 0.064 0.000 0.971 351 G HN 0.340 nan 8.290 nan 0.000 0.569 352 E N 0.317 120.562 120.200 0.075 0.000 2.478 352 E HA 0.238 4.588 4.350 -0.000 0.000 0.194 352 E C 0.865 177.550 176.600 0.142 0.000 1.045 352 E CA 0.459 56.909 56.400 0.084 0.000 0.868 352 E CB 0.576 30.314 29.700 0.064 0.000 0.885 352 E HN 0.348 nan 8.360 nan 0.000 0.505 353 V N 1.913 121.919 119.914 0.154 0.000 2.385 353 V HA 0.044 4.164 4.120 -0.000 0.000 0.269 353 V C 0.379 176.595 176.094 0.202 0.000 1.043 353 V CA -0.721 61.669 62.300 0.150 0.000 0.906 353 V CB 0.926 32.804 31.823 0.091 0.000 0.995 353 V HN 0.191 nan 8.190 nan 0.000 0.467 354 C N 6.747 126.142 119.300 0.159 0.000 2.555 354 C HA 0.361 4.821 4.460 -0.000 0.000 0.385 354 C C 1.608 176.571 174.990 -0.044 0.000 1.296 354 C CA -0.341 58.632 59.018 -0.074 0.000 1.757 354 C CB -1.157 26.519 27.740 -0.106 0.000 2.445 354 C HN 0.945 nan 8.230 nan 0.000 0.571 355 L N 5.458 126.665 121.223 -0.027 0.000 2.249 355 L HA 0.351 4.691 4.340 -0.000 0.000 0.207 355 L C 1.635 178.654 176.870 0.249 0.000 1.090 355 L CA 1.066 55.980 54.840 0.123 0.000 0.802 355 L CB -0.635 41.521 42.059 0.162 0.000 0.947 355 L HN 0.986 nan 8.230 nan 0.000 0.453 356 G N -1.389 107.481 108.800 0.116 0.000 2.439 356 G HA2 0.401 4.361 3.960 -0.000 0.000 0.186 356 G HA3 0.401 4.361 3.960 -0.000 0.000 0.186 356 G C -0.659 174.115 174.900 -0.209 0.000 1.260 356 G CA -0.190 44.886 45.100 -0.041 0.000 1.020 356 G HN 0.480 nan 8.290 nan 0.000 0.470 357 G N -2.219 106.206 108.800 -0.625 0.000 2.369 357 G HA2 0.722 4.682 3.960 -0.000 0.000 0.293 357 G HA3 0.722 4.682 3.960 -0.000 0.000 0.293 357 G C -0.157 174.401 174.900 -0.569 0.000 1.301 357 G CA 0.974 45.788 45.100 -0.477 0.000 0.913 357 G HN 2.408 nan 8.290 nan 0.000 0.540 358 G N -1.587 106.952 108.800 -0.436 0.000 2.682 358 G HA2 0.684 4.644 3.960 -0.000 0.000 0.303 358 G HA3 0.684 4.644 3.960 -0.000 0.000 0.303 358 G C -1.728 173.046 174.900 -0.210 0.000 1.341 358 G CA -0.637 44.293 45.100 -0.282 0.000 0.784 358 G HN 0.845 nan 8.290 nan 0.000 0.497 359 I N 0.662 121.165 120.570 -0.112 0.000 2.353 359 I HA 0.331 4.501 4.170 -0.000 0.000 0.293 359 I C 0.402 176.485 176.117 -0.058 0.000 0.992 359 I CA -0.508 60.749 61.300 -0.071 0.000 1.268 359 I CB 1.621 39.597 38.000 -0.040 0.000 1.387 359 I HN 0.255 nan 8.210 nan 0.000 0.478 360 I N 5.765 126.306 120.570 -0.049 0.000 2.494 360 I HA 0.001 4.171 4.170 -0.000 0.000 0.289 360 I C 1.288 177.386 176.117 -0.031 0.000 1.106 360 I CA 0.238 61.522 61.300 -0.028 0.000 1.369 360 I CB 0.358 38.346 38.000 -0.020 0.000 1.410 360 I HN 0.660 nan 8.210 nan 0.000 0.523 361 E N 5.067 125.251 120.200 -0.027 0.000 2.075 361 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 361 E C 0.222 176.804 176.600 -0.029 0.000 0.969 361 E CA 1.306 57.688 56.400 -0.030 0.000 0.815 361 E CB 0.392 30.076 29.700 -0.027 0.000 0.776 361 E HN 0.632 nan 8.360 nan 0.000 0.457 362 Q N -0.179 119.605 119.800 -0.027 0.000 2.397 362 Q HA 0.347 4.686 4.340 -0.000 0.000 0.275 362 Q C -1.167 174.812 176.000 -0.035 0.000 1.090 362 Q CA -0.975 54.810 55.803 -0.030 0.000 0.809 362 Q CB 2.114 30.833 28.738 -0.031 0.000 1.362 362 Q HN -0.031 nan 8.270 nan 0.000 0.431 363 R N 2.856 123.335 120.500 -0.034 0.000 2.428 363 R HA 0.408 4.748 4.340 -0.000 0.000 0.294 363 R C -1.108 175.158 176.300 -0.057 0.000 1.000 363 R CA -0.332 55.746 56.100 -0.038 0.000 0.960 363 R CB 0.624 30.911 30.300 -0.021 0.000 1.076 363 R HN 0.623 nan 8.270 nan 0.000 0.475 364 L N 6.677 127.846 121.223 -0.090 0.000 2.360 364 L HA 0.347 4.687 4.340 -0.000 0.000 0.265 364 L C -2.105 174.724 176.870 -0.069 0.000 1.066 364 L CA -2.025 52.758 54.840 -0.095 0.000 0.929 364 L CB 1.444 43.412 42.059 -0.151 0.000 1.306 364 L HN 0.397 nan 8.230 nan 0.000 0.434 365 P HA -0.064 nan 4.420 nan 0.000 0.270 365 P C 0.043 177.332 177.300 -0.018 0.000 1.221 365 P CA -0.004 63.081 63.100 -0.025 0.000 0.788 365 P CB 0.655 32.342 31.700 -0.022 0.000 0.904 366 L N 3.161 124.381 121.223 -0.005 0.000 2.456 366 L HA 0.128 4.467 4.340 -0.000 0.000 0.272 366 L C -1.680 175.192 176.870 0.002 0.000 1.189 366 L CA -1.509 53.334 54.840 0.004 0.000 0.846 366 L CB -0.230 41.838 42.059 0.015 0.000 1.111 366 L HN 0.301 nan 8.230 nan 0.000 0.475 367 P HA -0.033 nan 4.420 nan 0.000 0.262 367 P C -0.056 177.249 177.300 0.008 0.000 1.182 367 P CA -0.075 63.026 63.100 0.001 0.000 0.761 367 P CB 0.591 32.291 31.700 0.001 0.000 0.795 368 V N 0.000 119.919 119.914 0.008 0.000 2.409 368 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 368 V CA 0.000 62.309 62.300 0.014 0.000 1.235 368 V CB 0.000 31.830 31.823 0.012 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556