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 2xgb_1_A DATA FIRST_RESID 4 DATA SEQUENCE NVKGNYVQVY VMLPLDAVSV NNRFEKGDEL RAQLRKLVEA GVDGVMVDVW DATA SEQUENCE WGLVEGKGPK AYDWSAYKQL FELVQKAGLK LQAIMSFHQC GGNVGDAVNI DATA SEQUENCE PIPQWVRDVG TRDPDIFYTD GHGTRNIEYL TLGVDNQPLF HGRSAVQMYA DATA SEQUENCE DYMTSFRENM KEFLDAGVIV DIEVGLGPAG EMRYPSYPQS HGWSFPGIGE DATA SEQUENCE FICYDKYLQA DFKAAAAAVG HPEWEFPNDV GQYNDTPERT QFFRDNGTYL DATA SEQUENCE SEKGRFFLAW YSNNLIKHGD RILDEANKVF LGYKVQLAIK ISGIHWWYKV DATA SEQUENCE PSHAAELTAG YYNLHDRDGY RTIARMLKRH RASINFTCAE MRDSEQSSQA DATA SEQUENCE MSAPEELVQQ VLSAGWREGL NVACENALPR YDPTAYNTIL RNARPHGINQ DATA SEQUENCE SGPPEHKLFG FTYLRLSNQL VEGQNYANFK TFVDRMHANL PRDPYVDPMA DATA SEQUENCE PLPRSGPEIS IEMILQAAQP KLQPFPFQEH TDLPVG 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 4 N HA 0.000 nan 4.740 nan 0.000 0.220 4 N C 0.000 175.500 175.510 -0.016 0.000 1.280 4 N CA 0.000 53.039 53.050 -0.018 0.000 0.885 4 N CB 0.000 38.474 38.487 -0.022 0.000 1.341 5 V N 1.563 121.471 119.914 -0.010 0.000 3.596 5 V HA 0.256 4.390 4.120 0.023 0.000 0.289 5 V C 1.924 178.023 176.094 0.008 0.000 1.336 5 V CA 0.767 63.065 62.300 -0.004 0.000 1.137 5 V CB -0.183 31.638 31.823 -0.003 0.000 0.966 5 V HN 0.607 nan 8.190 nan 0.000 0.428 6 K N 1.901 122.302 120.400 0.001 0.000 2.113 6 K HA -0.110 4.224 4.320 0.023 0.000 0.208 6 K C 1.956 178.560 176.600 0.008 0.000 1.047 6 K CA 2.022 58.309 56.287 0.001 0.000 0.928 6 K CB -0.743 31.735 32.500 -0.037 0.000 0.716 6 K HN 0.584 nan 8.250 nan 0.000 0.446 7 G N 0.507 109.304 108.800 -0.006 0.000 2.625 7 G HA2 -0.173 3.801 3.960 0.023 0.000 0.214 7 G HA3 -0.173 3.801 3.960 0.023 0.000 0.214 7 G C 0.983 175.894 174.900 0.017 0.000 1.132 7 G CA 0.315 45.412 45.100 -0.005 0.000 0.782 7 G HN 0.365 nan 8.290 nan 0.000 0.538 8 N N -0.512 118.205 118.700 0.030 0.000 2.446 8 N HA -0.031 4.723 4.740 0.023 0.000 0.179 8 N C 0.143 175.700 175.510 0.078 0.000 1.054 8 N CA -0.137 52.932 53.050 0.032 0.000 0.905 8 N CB 0.091 38.582 38.487 0.008 0.000 0.973 8 N HN 0.390 nan 8.380 nan 0.000 0.448 9 Y N 2.297 122.571 120.300 -0.044 0.000 2.721 9 Y HA 0.012 4.576 4.550 0.023 0.000 0.329 9 Y C -0.182 175.701 175.900 -0.028 0.000 1.211 9 Y CA -0.000 58.074 58.100 -0.043 0.000 1.512 9 Y CB 0.415 38.815 38.460 -0.100 0.000 1.249 9 Y HN -0.304 nan 8.280 nan 0.000 0.549 10 V N 7.420 127.361 119.914 0.044 0.000 2.409 10 V HA 0.224 4.358 4.120 0.023 0.000 0.291 10 V C -0.289 175.840 176.094 0.058 0.000 1.020 10 V CA -1.110 61.236 62.300 0.077 0.000 0.848 10 V CB 1.422 33.267 31.823 0.036 0.000 0.990 10 V HN 0.711 nan 8.190 nan 0.000 0.430 11 Q N 2.381 122.291 119.800 0.183 0.000 2.395 11 Q HA 0.374 4.728 4.340 0.023 0.000 0.271 11 Q C -0.782 175.342 176.000 0.206 0.000 1.026 11 Q CA -0.033 55.901 55.803 0.220 0.000 0.900 11 Q CB 1.514 30.400 28.738 0.248 0.000 1.266 11 Q HN 0.574 nan 8.270 nan 0.000 0.430 12 V N 3.355 123.337 119.914 0.113 0.000 2.409 12 V HA 0.334 4.468 4.120 0.023 0.000 0.291 12 V C -1.098 175.018 176.094 0.036 0.000 1.020 12 V CA -0.688 61.709 62.300 0.163 0.000 0.848 12 V CB 0.592 32.396 31.823 -0.033 0.000 0.990 12 V HN 0.594 nan 8.190 nan 0.000 0.430 13 Y N 2.848 123.255 120.300 0.179 0.000 2.528 13 Y HA 0.745 5.309 4.550 0.023 0.000 0.335 13 Y C 0.073 176.093 175.900 0.200 0.000 1.093 13 Y CA -0.993 57.192 58.100 0.142 0.000 1.134 13 Y CB 2.119 40.617 38.460 0.063 0.000 1.253 13 Y HN 0.338 nan 8.280 nan 0.000 0.478 14 V N 3.174 123.278 119.914 0.317 0.000 2.531 14 V HA 0.277 4.411 4.120 0.023 0.000 0.301 14 V C -0.313 175.908 176.094 0.211 0.000 1.034 14 V CA -0.991 61.485 62.300 0.294 0.000 0.865 14 V CB 1.561 33.536 31.823 0.253 0.000 0.995 14 V HN 0.714 nan 8.190 nan 0.000 0.424 15 M N 5.083 124.785 119.600 0.170 0.000 2.239 15 M HA 0.327 4.821 4.480 0.023 0.000 0.348 15 M C -0.377 176.002 176.300 0.133 0.000 1.239 15 M CA 0.579 55.948 55.300 0.115 0.000 1.114 15 M CB 0.159 32.795 32.600 0.060 0.000 1.641 15 M HN 0.496 nan 8.290 nan 0.000 0.453 16 L N 6.060 127.362 121.223 0.131 0.000 2.475 16 L HA 0.370 4.724 4.340 0.023 0.000 0.253 16 L C -1.944 175.015 176.870 0.149 0.000 1.198 16 L CA -2.000 52.926 54.840 0.144 0.000 0.814 16 L CB -0.039 42.118 42.059 0.163 0.000 1.134 16 L HN 0.533 nan 8.230 nan 0.000 0.478 17 P HA -0.007 nan 4.420 nan 0.000 0.268 17 P C 0.710 178.132 177.300 0.204 0.000 1.208 17 P CA 0.027 63.217 63.100 0.151 0.000 0.777 17 P CB 0.505 32.281 31.700 0.127 0.000 0.875 18 L N 1.231 122.584 121.223 0.216 0.000 2.081 18 L HA -0.168 4.186 4.340 0.023 0.000 0.212 18 L C 1.266 178.378 176.870 0.402 0.000 1.080 18 L CA 1.666 56.707 54.840 0.335 0.000 0.754 18 L CB -0.611 41.606 42.059 0.263 0.000 0.893 18 L HN 0.508 nan 8.230 nan 0.000 0.433 19 D N -0.582 119.958 120.400 0.234 0.000 3.058 19 D HA 0.155 4.809 4.640 0.023 0.000 0.272 19 D C 1.317 177.724 176.300 0.178 0.000 1.350 19 D CA 0.363 54.481 54.000 0.196 0.000 0.863 19 D CB 0.504 41.356 40.800 0.087 0.000 1.064 19 D HN 0.091 nan 8.370 nan 0.000 0.488 20 A N 0.040 122.996 122.820 0.227 0.000 1.958 20 A HA -0.082 4.251 4.320 0.023 0.000 0.221 20 A C 1.121 178.857 177.584 0.254 0.000 1.178 20 A CA 0.937 53.115 52.037 0.236 0.000 0.642 20 A CB -0.200 18.953 19.000 0.256 0.000 0.816 20 A HN 0.310 nan 8.150 nan 0.000 0.453 21 V N 0.814 120.832 119.914 0.173 0.000 2.435 21 V HA 0.406 4.539 4.120 0.023 0.000 0.290 21 V C 0.725 176.878 176.094 0.097 0.000 1.030 21 V CA -0.225 62.120 62.300 0.075 0.000 0.881 21 V CB 1.435 33.091 31.823 -0.278 0.000 0.983 21 V HN 0.580 nan 8.190 nan 0.000 0.445 22 S N 3.636 119.373 115.700 0.061 0.000 2.596 22 S HA 0.131 4.615 4.470 0.023 0.000 0.260 22 S C 1.369 175.980 174.600 0.018 0.000 1.336 22 S CA 0.038 58.258 58.200 0.032 0.000 0.993 22 S CB 1.324 64.531 63.200 0.012 0.000 0.923 22 S HN 1.219 nan 8.310 nan 0.000 0.567 23 V N -0.666 119.239 119.914 -0.015 0.000 3.026 23 V HA -0.068 4.066 4.120 0.023 0.000 0.265 23 V C 1.113 177.195 176.094 -0.021 0.000 1.121 23 V CA 1.498 63.770 62.300 -0.046 0.000 1.142 23 V CB -1.260 30.523 31.823 -0.066 0.000 0.730 23 V HN 0.810 nan 8.190 nan 0.000 0.503 24 N N 1.156 119.855 118.700 -0.002 0.000 2.268 24 N HA 0.059 4.813 4.740 0.023 0.000 0.204 24 N C 0.621 176.146 175.510 0.026 0.000 1.124 24 N CA 0.649 53.704 53.050 0.008 0.000 0.838 24 N CB -0.211 38.279 38.487 0.004 0.000 0.994 24 N HN 0.672 nan 8.380 nan 0.000 0.489 25 N N 1.277 120.000 118.700 0.039 0.000 2.738 25 N HA -0.200 4.554 4.740 0.023 0.000 0.249 25 N C -1.167 174.367 175.510 0.039 0.000 1.047 25 N CA 0.613 53.695 53.050 0.054 0.000 0.707 25 N CB -0.898 37.635 38.487 0.076 0.000 0.937 25 N HN 0.358 nan 8.380 nan 0.000 0.545 26 R N 0.047 120.570 120.500 0.039 0.000 2.750 26 R HA 0.426 4.780 4.340 0.023 0.000 0.281 26 R C -0.891 175.473 176.300 0.107 0.000 0.972 26 R CA -0.830 55.306 56.100 0.060 0.000 0.912 26 R CB 0.915 31.238 30.300 0.039 0.000 1.187 26 R HN 0.135 nan 8.270 nan 0.000 0.464 27 F N 3.048 122.966 119.950 -0.054 0.000 2.334 27 F HA 0.239 4.780 4.527 0.023 0.000 0.365 27 F C 0.570 176.356 175.800 -0.023 0.000 1.124 27 F CA -0.340 57.627 58.000 -0.055 0.000 1.166 27 F CB 0.540 39.505 39.000 -0.059 0.000 1.355 27 F HN 0.550 nan 8.300 nan 0.000 0.532 28 E N 3.431 123.470 120.200 -0.267 0.000 2.447 28 E HA 0.058 4.421 4.350 0.023 0.000 0.204 28 E C 0.301 176.716 176.600 -0.308 0.000 0.977 28 E CA 0.257 56.523 56.400 -0.223 0.000 0.950 28 E CB 0.522 30.160 29.700 -0.103 0.000 0.975 28 E HN 0.585 nan 8.360 nan 0.000 0.496 29 K N 0.523 120.648 120.400 -0.458 0.000 2.934 29 K HA 0.235 4.569 4.320 0.023 0.000 0.210 29 K C 1.160 177.505 176.600 -0.425 0.000 1.122 29 K CA -0.123 55.972 56.287 -0.319 0.000 1.033 29 K CB 1.183 33.586 32.500 -0.161 0.000 0.779 29 K HN -0.004 nan 8.250 nan 0.000 0.459 30 G N 1.419 109.784 108.800 -0.724 0.000 2.422 30 G HA2 -0.244 3.730 3.960 0.023 0.000 0.218 30 G HA3 -0.244 3.730 3.960 0.023 0.000 0.218 30 G C 1.004 175.821 174.900 -0.138 0.000 1.146 30 G CA 0.908 45.680 45.100 -0.546 0.000 0.769 30 G HN 0.247 nan 8.290 nan 0.000 0.547 31 D N 0.211 120.537 120.400 -0.124 0.000 2.117 31 D HA -0.078 4.576 4.640 0.023 0.000 0.198 31 D C 2.175 178.453 176.300 -0.037 0.000 0.982 31 D CA 1.034 55.004 54.000 -0.050 0.000 0.828 31 D CB -0.183 40.588 40.800 -0.047 0.000 0.967 31 D HN 0.515 nan 8.370 nan 0.000 0.464 32 E N 0.318 120.484 120.200 -0.057 0.000 2.051 32 E HA -0.176 4.187 4.350 0.023 0.000 0.192 32 E C 2.160 178.754 176.600 -0.011 0.000 0.991 32 E CA 0.501 56.879 56.400 -0.036 0.000 0.799 32 E CB -0.028 29.645 29.700 -0.045 0.000 0.748 32 E HN 0.029 nan 8.360 nan 0.000 0.449 33 L N 1.529 122.751 121.223 -0.001 0.000 2.046 33 L HA -0.163 4.191 4.340 0.023 0.000 0.208 33 L C 2.494 179.404 176.870 0.067 0.000 1.077 33 L CA 1.863 56.737 54.840 0.057 0.000 0.747 33 L CB -0.571 41.563 42.059 0.126 0.000 0.896 33 L HN 0.049 nan 8.230 nan 0.000 0.432 34 R N -0.656 119.883 120.500 0.065 0.000 2.091 34 R HA -0.203 4.151 4.340 0.023 0.000 0.238 34 R C 2.135 178.456 176.300 0.036 0.000 1.136 34 R CA 1.569 57.707 56.100 0.064 0.000 0.959 34 R CB -0.408 29.927 30.300 0.059 0.000 0.856 34 R HN 0.521 nan 8.270 nan 0.000 0.437 35 A N 0.609 123.438 122.820 0.014 0.000 1.902 35 A HA -0.210 4.123 4.320 0.023 0.000 0.217 35 A C 2.050 179.626 177.584 -0.014 0.000 1.181 35 A CA 1.464 53.498 52.037 -0.005 0.000 0.623 35 A CB -0.422 18.567 19.000 -0.018 0.000 0.818 35 A HN 0.507 nan 8.150 nan 0.000 0.443 36 Q N -0.364 119.433 119.800 -0.004 0.000 2.079 36 Q HA -0.058 4.296 4.340 0.023 0.000 0.200 36 Q C 2.045 178.054 176.000 0.015 0.000 0.974 36 Q CA 1.377 57.175 55.803 -0.008 0.000 0.840 36 Q CB -0.341 28.403 28.738 0.011 0.000 0.898 36 Q HN 0.673 nan 8.270 nan 0.000 0.430 37 L N 0.275 121.523 121.223 0.041 0.000 2.083 37 L HA -0.194 4.160 4.340 0.023 0.000 0.209 37 L C 2.465 179.365 176.870 0.051 0.000 1.083 37 L CA 1.097 55.971 54.840 0.057 0.000 0.752 37 L CB -0.439 41.662 42.059 0.071 0.000 0.899 37 L HN 0.206 nan 8.230 nan 0.000 0.433 38 R N 0.085 120.604 120.500 0.033 0.000 2.091 38 R HA -0.157 4.197 4.340 0.023 0.000 0.238 38 R C 2.325 178.644 176.300 0.032 0.000 1.136 38 R CA 1.115 57.232 56.100 0.028 0.000 0.959 38 R CB -0.219 30.087 30.300 0.010 0.000 0.856 38 R HN 0.263 nan 8.270 nan 0.000 0.437 39 K N 0.828 121.225 120.400 -0.005 0.000 2.097 39 K HA -0.086 4.248 4.320 0.023 0.000 0.206 39 K C 2.152 178.862 176.600 0.183 0.000 1.049 39 K CA 1.049 57.321 56.287 -0.025 0.000 0.933 39 K CB -0.332 32.025 32.500 -0.239 0.000 0.717 39 K HN 0.259 nan 8.250 nan 0.000 0.442 40 L N 0.542 121.855 121.223 0.151 0.000 2.093 40 L HA -0.138 4.216 4.340 0.023 0.000 0.208 40 L C 2.395 179.370 176.870 0.174 0.000 1.085 40 L CA 0.740 55.705 54.840 0.209 0.000 0.755 40 L CB -0.547 41.601 42.059 0.148 0.000 0.904 40 L HN -0.122 nan 8.230 nan 0.000 0.435 41 V N 0.000 119.985 119.914 0.117 0.000 2.427 41 V HA -0.270 3.863 4.120 0.023 0.000 0.248 41 V C 2.485 178.637 176.094 0.097 0.000 1.051 41 V CA 1.837 64.189 62.300 0.088 0.000 1.048 41 V CB -0.470 31.390 31.823 0.061 0.000 0.666 41 V HN 0.519 nan 8.190 nan 0.000 0.456 42 E N 0.622 120.898 120.200 0.126 0.000 2.160 42 E HA -0.238 4.126 4.350 0.023 0.000 0.195 42 E C 1.998 178.684 176.600 0.143 0.000 0.991 42 E CA 1.465 57.950 56.400 0.143 0.000 0.810 42 E CB -0.141 29.670 29.700 0.185 0.000 0.742 42 E HN 0.590 nan 8.360 nan 0.000 0.466 43 A N -0.178 122.748 122.820 0.178 0.000 2.208 43 A HA 0.244 4.578 4.320 0.023 0.000 0.209 43 A C 1.693 179.256 177.584 -0.036 0.000 1.161 43 A CA 0.939 53.008 52.037 0.053 0.000 0.782 43 A CB -0.185 18.901 19.000 0.143 0.000 0.816 43 A HN 0.482 nan 8.150 nan 0.000 0.477 44 G N -1.277 107.541 108.800 0.029 0.000 2.132 44 G HA2 -0.189 3.785 3.960 0.023 0.000 0.234 44 G HA3 -0.189 3.785 3.960 0.023 0.000 0.234 44 G C 0.209 175.152 174.900 0.071 0.000 0.989 44 G CA 0.050 45.176 45.100 0.044 0.000 0.676 44 G HN 0.730 nan 8.290 nan 0.000 0.522 45 V N 0.549 120.490 119.914 0.045 0.000 2.788 45 V HA 0.135 4.269 4.120 0.023 0.000 0.307 45 V C 1.629 177.712 176.094 -0.018 0.000 1.069 45 V CA 1.395 63.711 62.300 0.027 0.000 1.173 45 V CB 0.962 32.856 31.823 0.118 0.000 0.925 45 V HN 0.444 nan 8.190 nan 0.000 0.492 46 D N 1.985 122.309 120.400 -0.127 0.000 2.162 46 D HA 0.281 4.935 4.640 0.023 0.000 0.203 46 D C 0.814 176.867 176.300 -0.413 0.000 0.967 46 D CA 1.408 55.250 54.000 -0.264 0.000 0.840 46 D CB 0.152 40.741 40.800 -0.352 0.000 0.972 46 D HN 0.800 nan 8.370 nan 0.000 0.482 47 G N -1.049 107.408 108.800 -0.572 0.000 2.489 47 G HA2 0.468 4.442 3.960 0.023 0.000 0.305 47 G HA3 0.468 4.442 3.960 0.023 0.000 0.305 47 G C -1.645 173.265 174.900 0.017 0.000 1.311 47 G CA -0.306 44.634 45.100 -0.266 0.000 0.813 47 G HN 0.252 nan 8.290 nan 0.000 0.480 48 V N -2.738 117.307 119.914 0.217 0.000 3.074 48 V HA 0.933 5.066 4.120 0.023 0.000 0.314 48 V C -0.335 175.893 176.094 0.223 0.000 1.117 48 V CA -1.078 61.355 62.300 0.222 0.000 1.014 48 V CB 1.974 33.877 31.823 0.134 0.000 1.057 48 V HN 1.042 nan 8.190 nan 0.000 0.438 49 M N 2.630 122.318 119.600 0.147 0.000 2.465 49 M HA 0.856 5.350 4.480 0.023 0.000 0.316 49 M C -1.633 174.697 176.300 0.049 0.000 1.121 49 M CA -0.679 54.650 55.300 0.047 0.000 0.934 49 M CB 2.017 34.620 32.600 0.004 0.000 1.692 49 M HN 0.847 nan 8.290 nan 0.000 0.444 50 V N 3.675 123.598 119.914 0.016 0.000 2.932 50 V HA 0.409 4.543 4.120 0.023 0.000 0.307 50 V C -1.428 174.633 176.094 -0.056 0.000 1.147 50 V CA -0.750 61.584 62.300 0.056 0.000 0.951 50 V CB 2.543 34.479 31.823 0.189 0.000 1.031 50 V HN 0.875 nan 8.190 nan 0.000 0.426 51 D N 3.862 124.166 120.400 -0.160 0.000 2.383 51 D HA 0.224 4.878 4.640 0.023 0.000 0.252 51 D C -0.372 175.646 176.300 -0.470 0.000 1.166 51 D CA 0.302 53.962 54.000 -0.567 0.000 0.879 51 D CB 1.881 41.952 40.800 -1.215 0.000 1.164 51 D HN 0.328 nan 8.370 nan 0.000 0.462 52 V N 4.046 123.645 119.914 -0.524 0.000 2.259 52 V HA 0.120 4.254 4.120 0.023 0.000 0.267 52 V C -0.279 175.639 176.094 -0.295 0.000 1.051 52 V CA -0.898 61.086 62.300 -0.527 0.000 0.830 52 V CB -0.174 31.391 31.823 -0.429 0.000 1.080 52 V HN 0.438 nan 8.190 nan 0.000 0.467 53 W N 3.407 124.761 121.300 0.089 0.000 2.356 53 W HA 0.183 4.856 4.660 0.022 0.000 0.311 53 W C 1.009 177.641 176.519 0.189 0.000 1.328 53 W CA -0.306 57.096 57.345 0.094 0.000 1.251 53 W CB 0.564 30.106 29.460 0.137 0.000 1.280 53 W HN 0.739 nan 8.180 nan 0.000 0.524 54 W N 3.228 124.571 121.300 0.072 0.000 2.335 54 W HA -0.174 4.500 4.660 0.022 0.000 0.311 54 W C 1.938 178.540 176.519 0.139 0.000 1.213 54 W CA 2.372 59.694 57.345 -0.038 0.000 1.274 54 W CB -0.941 28.428 29.460 -0.151 0.000 1.148 54 W HN 0.428 nan 8.180 nan 0.000 0.498 55 G N 0.310 109.196 108.800 0.142 0.000 2.471 55 G HA2 -0.186 3.788 3.960 0.023 0.000 0.219 55 G HA3 -0.186 3.788 3.960 0.023 0.000 0.219 55 G C 1.603 176.531 174.900 0.045 0.000 1.125 55 G CA 1.046 46.103 45.100 -0.072 0.000 0.775 55 G HN 0.337 nan 8.290 nan 0.000 0.548 56 L N -0.150 121.192 121.223 0.198 0.000 2.068 56 L HA 0.019 4.373 4.340 0.023 0.000 0.204 56 L C 2.854 179.837 176.870 0.188 0.000 1.076 56 L CA 0.391 55.353 54.840 0.204 0.000 0.753 56 L CB -0.400 41.859 42.059 0.334 0.000 0.910 56 L HN 0.072 nan 8.230 nan 0.000 0.439 57 V N -0.651 119.406 119.914 0.239 0.000 2.446 57 V HA -0.159 3.975 4.120 0.023 0.000 0.244 57 V C 1.683 177.854 176.094 0.129 0.000 1.039 57 V CA 1.285 63.627 62.300 0.070 0.000 1.045 57 V CB -0.168 31.538 31.823 -0.195 0.000 0.681 57 V HN 0.374 nan 8.190 nan 0.000 0.459 58 E N 0.028 120.423 120.200 0.325 0.000 2.499 58 E HA 0.188 4.552 4.350 0.023 0.000 0.207 58 E C 1.729 178.481 176.600 0.255 0.000 1.034 58 E CA 0.237 56.831 56.400 0.323 0.000 1.098 58 E CB 0.265 30.358 29.700 0.655 0.000 1.148 58 E HN 0.523 nan 8.360 nan 0.000 0.447 59 G N 0.997 109.881 108.800 0.140 0.000 2.448 59 G HA2 -0.241 3.733 3.960 0.023 0.000 0.218 59 G HA3 -0.241 3.733 3.960 0.023 0.000 0.218 59 G C 1.474 176.489 174.900 0.192 0.000 1.135 59 G CA 0.330 45.497 45.100 0.112 0.000 0.784 59 G HN 0.189 nan 8.290 nan 0.000 0.543 60 K N -0.160 120.307 120.400 0.111 0.000 2.057 60 K HA 0.215 4.548 4.320 0.023 0.000 0.206 60 K C 1.027 177.602 176.600 -0.041 0.000 1.050 60 K CA 1.016 57.324 56.287 0.035 0.000 0.935 60 K CB -0.071 32.412 32.500 -0.028 0.000 0.715 60 K HN 0.370 nan 8.250 nan 0.000 0.439 61 G N -0.277 108.396 108.800 -0.213 0.000 2.316 61 G HA2 0.157 4.130 3.960 0.023 0.000 0.296 61 G HA3 0.157 4.130 3.960 0.023 0.000 0.296 61 G C -3.139 171.184 174.900 -0.961 0.000 1.399 61 G CA -1.172 43.441 45.100 -0.812 0.000 0.833 61 G HN -0.189 nan 8.290 nan 0.000 0.565 62 P HA 0.223 nan 4.420 nan 0.000 0.263 62 P C 0.107 177.130 177.300 -0.463 0.000 1.195 62 P CA 0.526 63.116 63.100 -0.849 0.000 0.762 62 P CB 0.403 31.669 31.700 -0.724 0.000 0.799 63 K N 0.999 121.135 120.400 -0.441 0.000 3.407 63 K HA -0.219 4.115 4.320 0.023 0.000 0.312 63 K C 0.247 176.457 176.600 -0.650 0.000 1.302 63 K CA 0.940 56.838 56.287 -0.648 0.000 0.931 63 K CB -2.085 30.317 32.500 -0.164 0.000 1.257 63 K HN 0.562 nan 8.250 nan 0.000 0.454 64 A N 1.256 123.771 122.820 -0.508 0.000 3.168 64 A HA 0.316 4.650 4.320 0.023 0.000 0.260 64 A C -0.382 177.075 177.584 -0.211 0.000 1.598 64 A CA -0.281 51.593 52.037 -0.271 0.000 1.285 64 A CB -0.524 18.360 19.000 -0.193 0.000 1.149 64 A HN 0.236 nan 8.150 nan 0.000 0.630 65 Y N 0.376 120.679 120.300 0.004 0.000 2.442 65 Y HA 0.299 4.862 4.550 0.023 0.000 0.330 65 Y C 0.603 176.368 175.900 -0.226 0.000 1.129 65 Y CA -0.264 57.739 58.100 -0.160 0.000 1.365 65 Y CB 0.593 38.955 38.460 -0.162 0.000 1.233 65 Y HN 0.448 nan 8.280 nan 0.000 0.529 66 D N 3.177 123.465 120.400 -0.186 0.000 2.446 66 D HA 0.148 4.802 4.640 0.023 0.000 0.251 66 D C -0.741 175.484 176.300 -0.125 0.000 1.137 66 D CA -0.734 53.216 54.000 -0.084 0.000 0.890 66 D CB 0.122 40.918 40.800 -0.006 0.000 1.071 66 D HN 0.604 nan 8.370 nan 0.000 0.528 67 W N 2.211 123.599 121.300 0.147 0.000 3.290 67 W HA 0.070 4.743 4.660 0.023 0.000 0.287 67 W C 2.088 178.645 176.519 0.062 0.000 1.288 67 W CA -0.368 57.042 57.345 0.108 0.000 1.725 67 W CB 0.345 29.822 29.460 0.029 0.000 1.103 67 W HN 0.275 nan 8.180 nan 0.000 0.670 68 S N 1.179 117.012 115.700 0.220 0.000 2.359 68 S HA -0.290 4.194 4.470 0.023 0.000 0.223 68 S C 2.129 176.770 174.600 0.069 0.000 1.039 68 S CA 1.771 60.052 58.200 0.136 0.000 1.042 68 S CB -0.829 62.433 63.200 0.103 0.000 0.915 68 S HN 0.343 nan 8.310 nan 0.000 0.439 69 A N 0.477 123.319 122.820 0.036 0.000 1.898 69 A HA -0.055 4.279 4.320 0.023 0.000 0.216 69 A C 1.957 179.360 177.584 -0.302 0.000 1.181 69 A CA 1.347 53.336 52.037 -0.080 0.000 0.620 69 A CB -0.971 17.980 19.000 -0.081 0.000 0.819 69 A HN 0.521 nan 8.150 nan 0.000 0.442 70 Y N 0.421 120.635 120.300 -0.144 0.000 2.224 70 Y HA -0.155 4.409 4.550 0.023 0.000 0.289 70 Y C 2.413 177.878 175.900 -0.724 0.000 1.146 70 Y CA 1.782 59.608 58.100 -0.457 0.000 1.182 70 Y CB -0.139 38.113 38.460 -0.347 0.000 0.983 70 Y HN 0.247 nan 8.280 nan 0.000 0.524 71 K N -0.035 120.229 120.400 -0.225 0.000 2.097 71 K HA -0.228 4.106 4.320 0.023 0.000 0.206 71 K C 1.990 178.521 176.600 -0.115 0.000 1.049 71 K CA 1.613 57.828 56.287 -0.120 0.000 0.933 71 K CB -0.247 32.316 32.500 0.105 0.000 0.717 71 K HN 0.485 nan 8.250 nan 0.000 0.442 72 Q N 0.620 120.309 119.800 -0.184 0.000 2.084 72 Q HA -0.121 4.233 4.340 0.023 0.000 0.202 72 Q C 2.167 177.844 176.000 -0.537 0.000 0.978 72 Q CA 0.893 56.563 55.803 -0.222 0.000 0.844 72 Q CB -0.111 28.555 28.738 -0.121 0.000 0.898 72 Q HN 0.243 nan 8.270 nan 0.000 0.426 73 L N 0.184 120.832 121.223 -0.957 0.000 2.012 73 L HA -0.180 4.174 4.340 0.023 0.000 0.210 73 L C 2.044 178.790 176.870 -0.207 0.000 1.073 73 L CA 1.920 56.227 54.840 -0.887 0.000 0.748 73 L CB -0.666 40.992 42.059 -0.669 0.000 0.891 73 L HN 0.213 nan 8.230 nan 0.000 0.431 74 F N 0.802 120.487 119.950 -0.443 0.000 2.186 74 F HA -0.164 4.377 4.527 0.023 0.000 0.299 74 F C 2.724 178.234 175.800 -0.483 0.000 1.090 74 F CA 1.157 58.779 58.000 -0.630 0.000 1.307 74 F CB -1.054 37.177 39.000 -1.281 0.000 1.019 74 F HN 0.320 nan 8.300 nan 0.000 0.489 75 E N 0.400 120.580 120.200 -0.034 0.000 2.077 75 E HA -0.237 4.127 4.350 0.023 0.000 0.193 75 E C 2.288 178.960 176.600 0.120 0.000 0.989 75 E CA 0.948 57.476 56.400 0.213 0.000 0.800 75 E CB -0.264 29.579 29.700 0.239 0.000 0.746 75 E HN 0.288 nan 8.360 nan 0.000 0.452 76 L N 0.314 121.576 121.223 0.065 0.000 2.017 76 L HA -0.166 4.188 4.340 0.023 0.000 0.208 76 L C 2.307 179.228 176.870 0.085 0.000 1.073 76 L CA 1.309 56.212 54.840 0.105 0.000 0.745 76 L CB -0.329 41.834 42.059 0.173 0.000 0.894 76 L HN 0.048 nan 8.230 nan 0.000 0.432 77 V N -0.465 119.480 119.914 0.053 0.000 2.343 77 V HA -0.341 3.793 4.120 0.023 0.000 0.247 77 V C 2.521 178.637 176.094 0.036 0.000 1.051 77 V CA 2.047 64.369 62.300 0.037 0.000 1.036 77 V CB -0.705 31.114 31.823 -0.007 0.000 0.654 77 V HN 0.654 nan 8.190 nan 0.000 0.451 78 Q N 0.272 120.103 119.800 0.051 0.000 2.061 78 Q HA -0.263 4.091 4.340 0.023 0.000 0.204 78 Q C 2.236 178.283 176.000 0.079 0.000 0.984 78 Q CA 1.883 57.740 55.803 0.090 0.000 0.846 78 Q CB -0.119 28.740 28.738 0.201 0.000 0.902 78 Q HN 0.571 nan 8.270 nan 0.000 0.421 79 K N -0.440 120.013 120.400 0.088 0.000 2.362 79 K HA -0.060 4.274 4.320 0.023 0.000 0.200 79 K C 1.602 178.236 176.600 0.057 0.000 1.046 79 K CA 0.747 57.078 56.287 0.073 0.000 0.952 79 K CB 0.059 32.608 32.500 0.082 0.000 0.753 79 K HN 0.245 nan 8.250 nan 0.000 0.466 80 A N 0.302 123.155 122.820 0.055 0.000 2.251 80 A HA 0.184 4.517 4.320 0.023 0.000 0.209 80 A C 1.395 178.998 177.584 0.032 0.000 1.187 80 A CA 0.723 52.788 52.037 0.046 0.000 0.823 80 A CB -0.226 18.806 19.000 0.054 0.000 0.846 80 A HN 0.369 nan 8.150 nan 0.000 0.486 81 G N -1.219 107.596 108.800 0.025 0.000 2.148 81 G HA2 -0.223 3.751 3.960 0.023 0.000 0.254 81 G HA3 -0.223 3.751 3.960 0.023 0.000 0.254 81 G C 0.032 174.929 174.900 -0.006 0.000 0.981 81 G CA 0.494 45.597 45.100 0.005 0.000 0.670 81 G HN 0.451 nan 8.290 nan 0.000 0.528 82 L N -0.050 121.175 121.223 0.004 0.000 2.343 82 L HA 0.519 4.873 4.340 0.023 0.000 0.275 82 L C 0.992 177.860 176.870 -0.004 0.000 1.056 82 L CA -0.975 53.861 54.840 -0.006 0.000 0.804 82 L CB 1.189 43.255 42.059 0.011 0.000 1.203 82 L HN 0.043 nan 8.230 nan 0.000 0.440 83 K N 2.168 122.567 120.400 -0.001 0.000 2.120 83 K HA 0.583 4.917 4.320 0.023 0.000 0.245 83 K C -0.904 175.757 176.600 0.102 0.000 1.024 83 K CA -0.451 55.872 56.287 0.060 0.000 0.906 83 K CB 0.994 33.576 32.500 0.136 0.000 1.051 83 K HN 0.339 nan 8.250 nan 0.000 0.491 84 L N 0.613 121.877 121.223 0.068 0.000 2.455 84 L HA 0.230 4.584 4.340 0.023 0.000 0.264 84 L C -1.564 175.260 176.870 -0.076 0.000 0.968 84 L CA -0.408 54.417 54.840 -0.025 0.000 0.827 84 L CB 1.972 43.876 42.059 -0.258 0.000 1.317 84 L HN 0.553 nan 8.230 nan 0.000 0.407 85 Q N 3.822 123.566 119.800 -0.093 0.000 2.322 85 Q HA 0.686 5.040 4.340 0.023 0.000 0.265 85 Q C -0.818 175.078 176.000 -0.174 0.000 0.985 85 Q CA -0.723 54.969 55.803 -0.186 0.000 0.849 85 Q CB 2.292 30.861 28.738 -0.281 0.000 1.274 85 Q HN 0.706 nan 8.270 nan 0.000 0.449 86 A N 3.993 126.688 122.820 -0.209 0.000 2.288 86 A HA 0.578 4.912 4.320 0.023 0.000 0.320 86 A C -0.394 177.018 177.584 -0.286 0.000 1.217 86 A CA -0.628 51.285 52.037 -0.208 0.000 0.840 86 A CB 0.347 19.238 19.000 -0.183 0.000 1.179 86 A HN 0.755 nan 8.150 nan 0.000 0.504 87 I N 3.409 123.816 120.570 -0.272 0.000 2.342 87 I HA 0.181 4.365 4.170 0.023 0.000 0.291 87 I C 0.045 175.917 176.117 -0.408 0.000 1.010 87 I CA -0.365 60.752 61.300 -0.306 0.000 1.308 87 I CB 1.316 39.157 38.000 -0.265 0.000 1.400 87 I HN 0.501 nan 8.210 nan 0.000 0.488 88 M N 5.195 124.533 119.600 -0.437 0.000 2.618 88 M HA 0.132 4.626 4.480 0.023 0.000 0.322 88 M C -0.068 175.749 176.300 -0.804 0.000 1.471 88 M CA 0.338 55.257 55.300 -0.635 0.000 1.450 88 M CB -0.402 31.868 32.600 -0.551 0.000 1.444 88 M HN 0.425 nan 8.290 nan 0.000 0.471 89 S N 3.578 118.853 115.700 -0.708 0.000 2.955 89 S HA 0.314 4.798 4.470 0.023 0.000 0.294 89 S C 0.279 174.675 174.600 -0.339 0.000 1.198 89 S CA -0.452 57.446 58.200 -0.502 0.000 1.008 89 S CB -0.500 62.146 63.200 -0.923 0.000 1.279 89 S HN 0.393 nan 8.310 nan 0.000 0.508 90 F N 3.794 123.780 119.950 0.060 0.000 2.757 90 F HA 0.186 4.726 4.527 0.022 0.000 0.292 90 F C 1.476 177.584 175.800 0.514 0.000 1.204 90 F CA -0.443 57.611 58.000 0.090 0.000 1.417 90 F CB -0.456 38.268 39.000 -0.461 0.000 1.001 90 F HN 0.561 nan 8.300 nan 0.000 0.508 91 H N -1.787 117.623 119.070 0.566 0.000 2.977 91 H HA 0.368 4.938 4.556 0.023 0.000 0.350 91 H C -1.061 174.546 175.328 0.466 0.000 1.238 91 H CA -1.234 55.134 56.048 0.535 0.000 1.124 91 H CB 1.030 31.049 29.762 0.428 0.000 1.866 91 H HN 0.138 nan 8.280 nan 0.000 0.550 92 Q N 0.936 120.967 119.800 0.386 0.000 2.288 92 Q HA 0.331 4.685 4.340 0.023 0.000 0.254 92 Q C -0.808 175.267 176.000 0.124 0.000 0.932 92 Q CA -0.551 55.338 55.803 0.143 0.000 0.902 92 Q CB 0.884 29.685 28.738 0.106 0.000 1.203 92 Q HN 0.592 nan 8.270 nan 0.000 0.415 93 C N 4.746 123.876 119.300 -0.283 0.000 2.369 93 C HA 0.769 5.243 4.460 0.023 0.000 0.358 93 C C 1.006 175.898 174.990 -0.163 0.000 1.274 93 C CA 1.056 59.857 59.018 -0.361 0.000 1.935 93 C CB -1.066 25.990 27.740 -1.140 0.000 2.431 93 C HN 1.111 nan 8.230 nan 0.000 0.545 94 G N 3.929 112.712 108.800 -0.030 0.000 2.569 94 G HA2 0.301 4.275 3.960 0.023 0.000 0.259 94 G HA3 0.301 4.275 3.960 0.023 0.000 0.259 94 G C 0.906 175.805 174.900 -0.002 0.000 1.263 94 G CA 0.578 45.667 45.100 -0.018 0.000 0.928 94 G HN 2.619 nan 8.290 nan 0.000 0.572 95 G N -1.808 106.986 108.800 -0.008 0.000 2.157 95 G HA2 -0.206 3.768 3.960 0.023 0.000 0.248 95 G HA3 -0.206 3.768 3.960 0.023 0.000 0.248 95 G C 0.224 175.144 174.900 0.033 0.000 0.979 95 G CA 1.160 46.269 45.100 0.016 0.000 0.650 95 G HN 1.393 nan 8.290 nan 0.000 0.529 96 N N -0.406 118.303 118.700 0.016 0.000 2.477 96 N HA 0.520 5.274 4.740 0.023 0.000 0.284 96 N C 0.503 175.998 175.510 -0.024 0.000 1.182 96 N CA -0.468 52.579 53.050 -0.005 0.000 0.949 96 N CB 1.567 40.062 38.487 0.013 0.000 1.204 96 N HN 0.048 nan 8.380 nan 0.000 0.526 97 V N 0.995 120.879 119.914 -0.049 0.000 2.509 97 V HA 0.192 4.325 4.120 0.023 0.000 0.297 97 V C 1.459 177.536 176.094 -0.028 0.000 1.014 97 V CA 1.354 63.625 62.300 -0.047 0.000 1.127 97 V CB -0.103 31.681 31.823 -0.064 0.000 0.925 97 V HN 1.027 nan 8.190 nan 0.000 0.480 98 G N 3.869 112.655 108.800 -0.024 0.000 2.175 98 G HA2 -0.183 3.791 3.960 0.023 0.000 0.244 98 G HA3 -0.183 3.791 3.960 0.023 0.000 0.244 98 G C -0.091 174.803 174.900 -0.010 0.000 0.982 98 G CA -0.036 45.053 45.100 -0.017 0.000 0.641 98 G HN 0.673 nan 8.290 nan 0.000 0.527 99 D N 0.519 120.913 120.400 -0.010 0.000 2.348 99 D HA 0.556 5.210 4.640 0.023 0.000 0.253 99 D C 1.362 177.654 176.300 -0.013 0.000 1.161 99 D CA 0.564 54.560 54.000 -0.006 0.000 0.876 99 D CB 1.361 42.157 40.800 -0.006 0.000 1.160 99 D HN 0.347 nan 8.370 nan 0.000 0.459 100 A N 2.712 125.527 122.820 -0.008 0.000 1.970 100 A HA 0.017 4.350 4.320 0.023 0.000 0.216 100 A C 0.881 178.451 177.584 -0.024 0.000 1.170 100 A CA 0.518 52.548 52.037 -0.011 0.000 0.645 100 A CB 0.405 19.405 19.000 -0.000 0.000 0.816 100 A HN 0.400 nan 8.150 nan 0.000 0.447 101 V N 1.441 121.336 119.914 -0.031 0.000 2.313 101 V HA 0.293 4.427 4.120 0.023 0.000 0.278 101 V C -0.745 175.280 176.094 -0.115 0.000 1.017 101 V CA -0.679 61.580 62.300 -0.068 0.000 0.823 101 V CB 0.720 32.514 31.823 -0.048 0.000 1.010 101 V HN 0.499 nan 8.190 nan 0.000 0.443 102 N N 5.074 123.698 118.700 -0.126 0.000 2.446 102 N HA 0.634 5.388 4.740 0.023 0.000 0.265 102 N C -1.059 174.324 175.510 -0.210 0.000 0.975 102 N CA -0.374 52.587 53.050 -0.148 0.000 0.928 102 N CB 1.078 39.511 38.487 -0.089 0.000 1.160 102 N HN 0.641 nan 8.380 nan 0.000 0.495 103 I N 5.260 125.642 120.570 -0.314 0.000 2.542 103 I HA 0.345 4.529 4.170 0.023 0.000 0.278 103 I C -2.273 173.673 176.117 -0.284 0.000 1.069 103 I CA -1.874 59.203 61.300 -0.372 0.000 1.100 103 I CB 1.966 39.538 38.000 -0.714 0.000 1.204 103 I HN 0.392 nan 8.210 nan 0.000 0.470 104 P HA 0.255 nan 4.420 nan 0.000 0.277 104 P C 0.065 177.294 177.300 -0.119 0.000 1.271 104 P CA -0.334 62.697 63.100 -0.114 0.000 0.795 104 P CB 1.093 32.732 31.700 -0.101 0.000 1.101 105 I N -2.720 117.787 120.570 -0.104 0.000 3.194 105 I HA 0.276 4.460 4.170 0.023 0.000 0.283 105 I C -2.358 173.479 176.117 -0.467 0.000 1.199 105 I CA -2.318 58.819 61.300 -0.270 0.000 1.328 105 I CB -1.026 36.852 38.000 -0.202 0.000 1.404 105 I HN 0.090 nan 8.210 nan 0.000 0.618 106 P HA -0.018 nan 4.420 nan 0.000 0.265 106 P C 0.006 176.957 177.300 -0.581 0.000 1.193 106 P CA 0.131 62.789 63.100 -0.738 0.000 0.765 106 P CB 0.641 31.626 31.700 -1.191 0.000 0.823 107 Q N 3.821 123.452 119.800 -0.282 0.000 2.096 107 Q HA -0.169 4.184 4.340 0.023 0.000 0.204 107 Q C 1.585 177.541 176.000 -0.073 0.000 0.982 107 Q CA 1.696 57.425 55.803 -0.123 0.000 0.850 107 Q CB -0.288 28.443 28.738 -0.011 0.000 0.901 107 Q HN 0.681 nan 8.270 nan 0.000 0.422 108 W N -0.620 120.664 121.300 -0.027 0.000 2.425 108 W HA -0.063 4.612 4.660 0.025 0.000 0.277 108 W C 1.312 177.885 176.519 0.089 0.000 1.231 108 W CA 0.552 57.923 57.345 0.043 0.000 1.248 108 W CB -0.716 28.768 29.460 0.040 0.000 1.117 108 W HN -0.006 nan 8.180 nan 0.000 0.568 109 V N 2.479 121.919 119.914 -0.791 0.000 2.307 109 V HA -0.260 3.874 4.120 0.023 0.000 0.245 109 V C 2.824 178.845 176.094 -0.121 0.000 1.045 109 V CA 2.268 64.223 62.300 -0.574 0.000 1.024 109 V CB -0.878 30.336 31.823 -1.015 0.000 0.651 109 V HN 0.069 nan 8.190 nan 0.000 0.449 110 R N 0.040 120.474 120.500 -0.110 0.000 2.152 110 R HA -0.160 4.194 4.340 0.023 0.000 0.232 110 R C 1.985 178.364 176.300 0.131 0.000 1.117 110 R CA 1.498 57.666 56.100 0.113 0.000 0.981 110 R CB -0.429 29.928 30.300 0.096 0.000 0.870 110 R HN 0.527 nan 8.270 nan 0.000 0.451 111 D N 0.204 120.666 120.400 0.102 0.000 2.178 111 D HA -0.116 4.538 4.640 0.023 0.000 0.201 111 D C 1.847 178.207 176.300 0.099 0.000 0.980 111 D CA 0.958 55.031 54.000 0.122 0.000 0.842 111 D CB -0.035 40.863 40.800 0.164 0.000 0.948 111 D HN 0.030 nan 8.370 nan 0.000 0.472 112 V N 0.920 120.882 119.914 0.079 0.000 2.469 112 V HA -0.182 3.952 4.120 0.023 0.000 0.251 112 V C 2.508 178.580 176.094 -0.038 0.000 1.064 112 V CA 1.888 64.171 62.300 -0.027 0.000 1.066 112 V CB -0.921 30.830 31.823 -0.120 0.000 0.667 112 V HN 0.245 nan 8.190 nan 0.000 0.461 113 G N -0.715 108.095 108.800 0.016 0.000 2.509 113 G HA2 -0.192 3.782 3.960 0.023 0.000 0.218 113 G HA3 -0.192 3.782 3.960 0.023 0.000 0.218 113 G C 1.592 176.573 174.900 0.134 0.000 1.124 113 G CA 1.286 46.428 45.100 0.070 0.000 0.776 113 G HN 0.479 nan 8.290 nan 0.000 0.547 114 T N 0.770 115.386 114.554 0.104 0.000 2.746 114 T HA -0.066 4.298 4.350 0.023 0.000 0.267 114 T C 2.459 177.193 174.700 0.057 0.000 1.039 114 T CA 0.907 63.057 62.100 0.084 0.000 1.142 114 T CB -0.036 68.874 68.868 0.071 0.000 0.866 114 T HN 0.169 nan 8.240 nan 0.000 0.444 115 R N 0.932 121.451 120.500 0.032 0.000 2.223 115 R HA 0.212 4.566 4.340 0.023 0.000 0.198 115 R C 0.196 176.504 176.300 0.012 0.000 0.984 115 R CA 0.409 56.519 56.100 0.017 0.000 1.018 115 R CB -0.106 30.193 30.300 -0.001 0.000 0.945 115 R HN 0.266 nan 8.270 nan 0.000 0.479 116 D N 0.938 121.341 120.400 0.005 0.000 2.443 116 D HA 0.177 4.831 4.640 0.023 0.000 0.281 116 D C -1.894 174.423 176.300 0.028 0.000 1.210 116 D CA -2.084 51.921 54.000 0.009 0.000 0.875 116 D CB 1.349 42.132 40.800 -0.028 0.000 1.125 116 D HN -0.095 nan 8.370 nan 0.000 0.503 117 P HA -0.017 nan 4.420 nan 0.000 0.230 117 P C 0.394 177.812 177.300 0.197 0.000 1.158 117 P CA 0.453 63.665 63.100 0.186 0.000 0.769 117 P CB 0.538 32.353 31.700 0.191 0.000 0.807 118 D N 0.416 120.907 120.400 0.151 0.000 2.352 118 D HA 0.004 4.658 4.640 0.023 0.000 0.232 118 D C 1.778 178.219 176.300 0.235 0.000 1.055 118 D CA 0.303 54.433 54.000 0.217 0.000 0.891 118 D CB -0.067 40.818 40.800 0.142 0.000 0.897 118 D HN 0.392 nan 8.370 nan 0.000 0.529 119 I N -2.962 117.586 120.570 -0.037 0.000 3.176 119 I HA 0.005 4.189 4.170 0.023 0.000 0.275 119 I C -0.136 175.763 176.117 -0.364 0.000 1.298 119 I CA 0.418 61.568 61.300 -0.250 0.000 1.445 119 I CB -0.225 37.550 38.000 -0.375 0.000 1.075 119 I HN -0.318 nan 8.210 nan 0.000 0.482 120 F N 0.494 120.507 119.950 0.106 0.000 2.450 120 F HA 0.496 5.036 4.527 0.023 0.000 0.332 120 F C 0.007 175.908 175.800 0.167 0.000 1.093 120 F CA -1.296 56.760 58.000 0.094 0.000 1.003 120 F CB 0.371 39.445 39.000 0.123 0.000 1.151 120 F HN -0.217 nan 8.300 nan 0.000 0.474 121 Y N 1.065 121.605 120.300 0.400 0.000 2.811 121 Y HA 0.182 4.746 4.550 0.024 0.000 0.334 121 Y C 0.793 176.891 175.900 0.330 0.000 1.247 121 Y CA 0.316 58.624 58.100 0.347 0.000 1.526 121 Y CB -0.180 38.475 38.460 0.324 0.000 1.284 121 Y HN 0.441 nan 8.280 nan 0.000 0.586 122 T N 3.830 118.690 114.554 0.509 0.000 2.886 122 T HA 0.315 4.679 4.350 0.023 0.000 0.292 122 T C -0.749 174.191 174.700 0.400 0.000 1.012 122 T CA -1.112 61.226 62.100 0.397 0.000 0.982 122 T CB 1.278 70.370 68.868 0.373 0.000 1.018 122 T HN 0.560 nan 8.240 nan 0.000 0.451 123 D N 0.875 121.448 120.400 0.288 0.000 2.466 123 D HA 0.384 5.038 4.640 0.023 0.000 0.262 123 D C 1.547 177.710 176.300 -0.229 0.000 1.177 123 D CA -0.622 53.487 54.000 0.181 0.000 1.035 123 D CB 0.168 41.135 40.800 0.277 0.000 1.105 123 D HN 0.546 nan 8.370 nan 0.000 0.551 124 G N -1.734 106.628 108.800 -0.730 0.000 2.598 124 G HA2 -0.181 3.793 3.960 0.023 0.000 0.215 124 G HA3 -0.181 3.793 3.960 0.023 0.000 0.215 124 G C 0.987 175.454 174.900 -0.722 0.000 1.131 124 G CA 0.378 44.655 45.100 -1.371 0.000 0.785 124 G HN 0.598 nan 8.290 nan 0.000 0.539 125 H N -0.028 118.902 119.070 -0.234 0.000 2.548 125 H HA 0.150 4.705 4.556 -0.002 0.000 0.265 125 H C 2.225 177.529 175.328 -0.041 0.000 0.969 125 H CA 0.648 56.642 56.048 -0.090 0.000 1.155 125 H CB 0.441 30.203 29.762 0.001 0.000 1.394 125 H HN 0.432 nan 8.280 nan 0.000 0.570 126 G N 1.279 110.111 108.800 0.053 0.000 2.175 126 G HA2 -0.279 3.695 3.960 0.023 0.000 0.244 126 G HA3 -0.279 3.695 3.960 0.023 0.000 0.244 126 G C 0.386 175.363 174.900 0.129 0.000 0.982 126 G CA 0.384 45.541 45.100 0.095 0.000 0.641 126 G HN 0.366 nan 8.290 nan 0.000 0.527 127 T N 2.984 117.628 114.554 0.150 0.000 2.870 127 T HA 0.464 4.828 4.350 0.023 0.000 0.300 127 T C 0.625 175.404 174.700 0.131 0.000 0.989 127 T CA -0.095 62.073 62.100 0.114 0.000 1.139 127 T CB 0.790 69.722 68.868 0.108 0.000 0.920 127 T HN 0.287 nan 8.240 nan 0.000 0.537 128 R N 3.567 124.116 120.500 0.081 0.000 2.297 128 R HA 0.283 4.637 4.340 0.023 0.000 0.308 128 R C 0.137 176.425 176.300 -0.021 0.000 1.029 128 R CA -0.610 55.549 56.100 0.098 0.000 0.929 128 R CB 0.289 30.636 30.300 0.078 0.000 1.046 128 R HN 0.524 nan 8.270 nan 0.000 0.461 129 N N 3.409 122.151 118.700 0.071 0.000 2.426 129 N HA 0.074 4.828 4.740 0.023 0.000 0.257 129 N C 0.428 175.878 175.510 -0.100 0.000 1.002 129 N CA -0.376 52.680 53.050 0.011 0.000 0.942 129 N CB 0.971 39.557 38.487 0.164 0.000 1.112 129 N HN 0.451 nan 8.380 nan 0.000 0.499 130 I N 1.219 121.601 120.570 -0.314 0.000 3.810 130 I HA 0.229 4.413 4.170 0.023 0.000 0.322 130 I C 0.911 176.995 176.117 -0.055 0.000 1.288 130 I CA 0.327 61.300 61.300 -0.546 0.000 1.143 130 I CB -0.273 37.306 38.000 -0.703 0.000 1.012 130 I HN 0.438 nan 8.210 nan 0.000 0.423 131 E N 0.018 120.286 120.200 0.114 0.000 2.371 131 E HA 0.048 4.412 4.350 0.023 0.000 0.194 131 E C -0.471 176.380 176.600 0.418 0.000 1.012 131 E CA 0.585 57.124 56.400 0.231 0.000 0.860 131 E CB 0.159 29.995 29.700 0.226 0.000 0.811 131 E HN 0.572 nan 8.360 nan 0.000 0.502 132 Y N -0.594 119.882 120.300 0.294 0.000 2.620 132 Y HA 0.245 4.808 4.550 0.022 0.000 0.331 132 Y C -1.769 174.279 175.900 0.248 0.000 1.173 132 Y CA -0.995 57.288 58.100 0.306 0.000 1.076 132 Y CB 0.979 39.612 38.460 0.289 0.000 1.336 132 Y HN -0.254 nan 8.280 nan 0.000 0.459 133 L N 3.850 124.823 121.223 -0.417 0.000 2.305 133 L HA 0.315 4.668 4.340 0.023 0.000 0.281 133 L C 0.662 177.230 176.870 -0.505 0.000 1.085 133 L CA -0.538 54.083 54.840 -0.365 0.000 0.813 133 L CB 1.249 43.080 42.059 -0.381 0.000 1.157 133 L HN 0.755 nan 8.230 nan 0.000 0.436 134 T N 2.692 116.908 114.554 -0.565 0.000 2.946 134 T HA 0.014 4.378 4.350 0.023 0.000 0.312 134 T C 1.246 175.667 174.700 -0.464 0.000 1.066 134 T CA -0.396 61.145 62.100 -0.932 0.000 1.138 134 T CB 0.398 69.015 68.868 -0.419 0.000 1.014 134 T HN 0.519 nan 8.240 nan 0.000 0.544 135 L N 4.470 125.455 121.223 -0.396 0.000 2.261 135 L HA 0.234 4.588 4.340 0.023 0.000 0.216 135 L C 2.422 179.257 176.870 -0.058 0.000 1.114 135 L CA 1.934 56.636 54.840 -0.229 0.000 0.777 135 L CB -1.195 40.593 42.059 -0.451 0.000 0.910 135 L HN 0.695 nan 8.230 nan 0.000 0.440 136 G N 0.408 109.203 108.800 -0.009 0.000 2.498 136 G HA2 -0.129 3.845 3.960 0.023 0.000 0.219 136 G HA3 -0.129 3.845 3.960 0.023 0.000 0.219 136 G C 1.286 176.126 174.900 -0.100 0.000 1.119 136 G CA 1.037 46.182 45.100 0.075 0.000 0.766 136 G HN 0.587 nan 8.290 nan 0.000 0.552 137 V N -2.774 117.014 119.914 -0.209 0.000 3.376 137 V HA 0.254 4.388 4.120 0.023 0.000 0.313 137 V C 1.333 177.340 176.094 -0.145 0.000 1.393 137 V CA 0.283 62.404 62.300 -0.297 0.000 1.125 137 V CB 0.311 31.934 31.823 -0.333 0.000 1.037 137 V HN -0.065 nan 8.190 nan 0.000 0.440 138 D N 2.529 122.879 120.400 -0.084 0.000 2.133 138 D HA -0.158 4.495 4.640 0.023 0.000 0.192 138 D C 1.333 177.587 176.300 -0.076 0.000 1.001 138 D CA 1.962 55.929 54.000 -0.055 0.000 0.844 138 D CB -0.074 40.764 40.800 0.063 0.000 0.944 138 D HN 0.549 nan 8.370 nan 0.000 0.447 139 N N 0.486 119.157 118.700 -0.049 0.000 2.275 139 N HA 0.034 4.788 4.740 0.023 0.000 0.236 139 N C -0.450 175.034 175.510 -0.042 0.000 1.154 139 N CA -0.004 53.026 53.050 -0.033 0.000 0.866 139 N CB 0.864 39.350 38.487 -0.002 0.000 1.093 139 N HN 0.188 nan 8.380 nan 0.000 0.515 140 Q N 1.287 121.036 119.800 -0.086 0.000 2.290 140 Q HA 0.299 4.653 4.340 0.023 0.000 0.259 140 Q C -2.284 173.665 176.000 -0.086 0.000 0.941 140 Q CA -1.583 54.150 55.803 -0.117 0.000 0.912 140 Q CB 2.197 30.759 28.738 -0.293 0.000 1.244 140 Q HN 0.104 nan 8.270 nan 0.000 0.441 141 P HA 0.157 nan 4.420 nan 0.000 0.219 141 P C 0.091 177.322 177.300 -0.116 0.000 1.832 141 P CA 0.096 63.174 63.100 -0.036 0.000 1.014 141 P CB -0.091 31.601 31.700 -0.014 0.000 1.939 142 L N -0.414 120.646 121.223 -0.272 0.000 2.554 142 L HA 0.253 4.607 4.340 0.023 0.000 0.225 142 L C 0.442 176.862 176.870 -0.750 0.000 1.104 142 L CA 0.307 54.791 54.840 -0.593 0.000 0.866 142 L CB -0.203 41.296 42.059 -0.935 0.000 1.047 142 L HN 0.026 nan 8.230 nan 0.000 0.468 143 F N 0.345 120.251 119.950 -0.073 0.000 2.319 143 F HA 0.376 4.916 4.527 0.022 0.000 0.356 143 F C 0.328 176.170 175.800 0.071 0.000 1.100 143 F CA -0.991 57.005 58.000 -0.006 0.000 1.220 143 F CB -0.316 38.757 39.000 0.122 0.000 1.506 143 F HN 0.063 nan 8.300 nan 0.000 0.512 144 H N 1.089 120.256 119.070 0.161 0.000 2.626 144 H HA -0.210 4.360 4.556 0.023 0.000 0.317 144 H C 1.502 176.873 175.328 0.071 0.000 1.140 144 H CA 0.914 57.014 56.048 0.088 0.000 1.134 144 H CB -1.186 28.608 29.762 0.054 0.000 1.486 144 H HN 0.993 nan 8.280 nan 0.000 0.417 145 G N -0.497 108.358 108.800 0.093 0.000 2.241 145 G HA2 -0.300 3.674 3.960 0.023 0.000 0.244 145 G HA3 -0.300 3.674 3.960 0.023 0.000 0.244 145 G C 0.444 175.395 174.900 0.086 0.000 0.998 145 G CA 0.314 45.457 45.100 0.072 0.000 0.621 145 G HN 0.545 nan 8.290 nan 0.000 0.519 146 R N 1.038 121.628 120.500 0.150 0.000 2.540 146 R HA 0.611 4.965 4.340 0.023 0.000 0.287 146 R C 0.830 177.241 176.300 0.185 0.000 0.980 146 R CA 0.190 56.379 56.100 0.148 0.000 0.966 146 R CB 1.419 31.828 30.300 0.180 0.000 1.106 146 R HN 0.452 nan 8.270 nan 0.000 0.480 147 S N 0.770 116.520 115.700 0.084 0.000 2.645 147 S HA 0.245 4.729 4.470 0.023 0.000 0.266 147 S C 1.232 175.769 174.600 -0.105 0.000 1.258 147 S CA -0.262 57.969 58.200 0.052 0.000 0.990 147 S CB 1.524 64.704 63.200 -0.033 0.000 0.967 147 S HN 0.698 nan 8.310 nan 0.000 0.556 148 A N 0.800 123.465 122.820 -0.259 0.000 1.902 148 A HA 0.005 4.339 4.320 0.023 0.000 0.217 148 A C 2.195 179.118 177.584 -1.101 0.000 1.181 148 A CA 1.663 53.219 52.037 -0.802 0.000 0.623 148 A CB -1.443 17.115 19.000 -0.737 0.000 0.818 148 A HN 0.790 nan 8.150 nan 0.000 0.443 149 V N 0.023 119.586 119.914 -0.585 0.000 2.332 149 V HA -0.344 3.790 4.120 0.023 0.000 0.248 149 V C 2.655 178.567 176.094 -0.303 0.000 1.055 149 V CA 2.333 64.399 62.300 -0.390 0.000 1.038 149 V CB -0.940 30.795 31.823 -0.147 0.000 0.651 149 V HN 0.650 nan 8.190 nan 0.000 0.450 150 Q N -0.924 118.747 119.800 -0.215 0.000 2.084 150 Q HA -0.209 4.145 4.340 0.023 0.000 0.202 150 Q C 2.318 178.263 176.000 -0.091 0.000 0.978 150 Q CA 1.784 57.529 55.803 -0.097 0.000 0.844 150 Q CB -0.245 28.478 28.738 -0.026 0.000 0.898 150 Q HN 0.587 nan 8.270 nan 0.000 0.426 151 M N -0.606 118.864 119.600 -0.217 0.000 2.108 151 M HA -0.202 4.292 4.480 0.023 0.000 0.261 151 M C 1.798 177.989 176.300 -0.182 0.000 1.066 151 M CA 1.483 56.704 55.300 -0.131 0.000 1.107 151 M CB -0.396 32.085 32.600 -0.198 0.000 1.356 151 M HN 0.227 nan 8.290 nan 0.000 0.406 152 Y N 0.288 120.282 120.300 -0.510 0.000 2.181 152 Y HA -0.089 4.475 4.550 0.022 0.000 0.288 152 Y C 2.772 178.595 175.900 -0.128 0.000 1.146 152 Y CA 0.932 58.586 58.100 -0.742 0.000 1.164 152 Y CB -1.667 36.168 38.460 -1.041 0.000 0.982 152 Y HN 0.221 nan 8.280 nan 0.000 0.515 153 A N 0.274 123.124 122.820 0.050 0.000 1.902 153 A HA -0.179 4.155 4.320 0.023 0.000 0.217 153 A C 1.964 179.621 177.584 0.122 0.000 1.181 153 A CA 1.995 54.080 52.037 0.080 0.000 0.623 153 A CB -0.765 18.252 19.000 0.028 0.000 0.818 153 A HN 0.345 nan 8.150 nan 0.000 0.443 154 D N -1.756 118.740 120.400 0.160 0.000 2.144 154 D HA -0.152 4.502 4.640 0.023 0.000 0.199 154 D C 1.659 178.112 176.300 0.255 0.000 0.984 154 D CA 1.453 55.590 54.000 0.227 0.000 0.834 154 D CB -0.450 40.542 40.800 0.321 0.000 0.955 154 D HN 0.635 nan 8.370 nan 0.000 0.465 155 Y N 0.844 121.278 120.300 0.224 0.000 2.145 155 Y HA -0.186 4.379 4.550 0.024 0.000 0.286 155 Y C 2.402 178.414 175.900 0.187 0.000 1.145 155 Y CA 1.538 59.769 58.100 0.218 0.000 1.148 155 Y CB -0.124 38.600 38.460 0.441 0.000 0.981 155 Y HN -0.131 nan 8.280 nan 0.000 0.507 156 M N -0.962 118.851 119.600 0.355 0.000 2.159 156 M HA -0.221 4.272 4.480 0.023 0.000 0.263 156 M C 1.965 178.239 176.300 -0.044 0.000 1.063 156 M CA 2.008 57.425 55.300 0.194 0.000 1.110 156 M CB -0.470 32.267 32.600 0.229 0.000 1.374 156 M HN 0.220 nan 8.290 nan 0.000 0.411 157 T N -0.222 114.291 114.554 -0.068 0.000 2.708 157 T HA -0.155 4.209 4.350 0.023 0.000 0.266 157 T C 1.962 176.574 174.700 -0.147 0.000 1.037 157 T CA 1.928 63.947 62.100 -0.134 0.000 1.146 157 T CB -0.307 68.530 68.868 -0.052 0.000 0.865 157 T HN 0.386 nan 8.240 nan 0.000 0.435 158 S N 0.310 115.919 115.700 -0.152 0.000 2.368 158 S HA -0.090 4.394 4.470 0.023 0.000 0.225 158 S C 1.751 176.138 174.600 -0.356 0.000 1.030 158 S CA 0.973 59.059 58.200 -0.190 0.000 0.999 158 S CB -0.580 62.364 63.200 -0.428 0.000 0.844 158 S HN 0.464 nan 8.310 nan 0.000 0.459 159 F N 2.829 122.441 119.950 -0.564 0.000 2.069 159 F HA -0.082 4.460 4.527 0.024 0.000 0.298 159 F C 2.495 177.958 175.800 -0.561 0.000 1.113 159 F CA 2.173 59.615 58.000 -0.929 0.000 1.214 159 F CB -0.541 38.125 39.000 -0.555 0.000 0.978 159 F HN 0.130 nan 8.300 nan 0.000 0.474 160 R N 0.519 120.880 120.500 -0.232 0.000 2.083 160 R HA -0.208 4.146 4.340 0.023 0.000 0.237 160 R C 2.145 178.230 176.300 -0.359 0.000 1.137 160 R CA 2.242 58.155 56.100 -0.312 0.000 0.951 160 R CB -0.508 29.532 30.300 -0.433 0.000 0.851 160 R HN 0.443 nan 8.270 nan 0.000 0.434 161 E N -0.104 119.918 120.200 -0.297 0.000 2.051 161 E HA -0.145 4.219 4.350 0.023 0.000 0.192 161 E C 1.907 178.349 176.600 -0.263 0.000 0.991 161 E CA 1.157 57.430 56.400 -0.211 0.000 0.799 161 E CB -0.097 29.524 29.700 -0.132 0.000 0.748 161 E HN 0.445 nan 8.360 nan 0.000 0.449 162 N N -0.061 118.385 118.700 -0.424 0.000 2.270 162 N HA -0.060 4.694 4.740 0.023 0.000 0.181 162 N C 1.125 176.402 175.510 -0.387 0.000 1.016 162 N CA 0.844 53.633 53.050 -0.434 0.000 0.870 162 N CB 0.173 38.225 38.487 -0.726 0.000 0.979 162 N HN 0.163 nan 8.380 nan 0.000 0.431 163 M N 0.458 119.751 119.600 -0.512 0.000 2.419 163 M HA 0.117 4.611 4.480 0.023 0.000 0.252 163 M C 1.589 177.776 176.300 -0.189 0.000 1.143 163 M CA -0.034 55.086 55.300 -0.299 0.000 0.985 163 M CB -0.131 32.063 32.600 -0.677 0.000 1.489 163 M HN 0.007 nan 8.290 nan 0.000 0.484 164 K N 1.569 121.836 120.400 -0.222 0.000 2.103 164 K HA -0.175 4.159 4.320 0.023 0.000 0.207 164 K C 1.433 177.979 176.600 -0.089 0.000 1.048 164 K CA 1.646 57.855 56.287 -0.130 0.000 0.930 164 K CB 0.229 32.690 32.500 -0.064 0.000 0.716 164 K HN 0.402 nan 8.250 nan 0.000 0.444 165 E N -0.569 119.503 120.200 -0.214 0.000 2.150 165 E HA -0.160 4.204 4.350 0.023 0.000 0.193 165 E C 1.799 178.243 176.600 -0.260 0.000 0.985 165 E CA 1.080 57.316 56.400 -0.273 0.000 0.814 165 E CB -0.099 29.353 29.700 -0.413 0.000 0.752 165 E HN 0.323 nan 8.360 nan 0.000 0.466 166 F N 0.592 120.516 119.950 -0.044 0.000 2.259 166 F HA -0.048 4.493 4.527 0.023 0.000 0.298 166 F C 2.035 177.809 175.800 -0.043 0.000 1.088 166 F CA 0.610 58.585 58.000 -0.043 0.000 1.358 166 F CB -0.360 38.609 39.000 -0.052 0.000 1.040 166 F HN -0.048 nan 8.300 nan 0.000 0.505 167 L N -0.321 120.970 121.223 0.113 0.000 2.005 167 L HA -0.204 4.149 4.340 0.023 0.000 0.207 167 L C 2.104 179.070 176.870 0.160 0.000 1.072 167 L CA 1.330 56.236 54.840 0.111 0.000 0.744 167 L CB -0.605 41.469 42.059 0.024 0.000 0.895 167 L HN -0.004 nan 8.230 nan 0.000 0.433 168 D N 0.066 120.553 120.400 0.145 0.000 2.178 168 D HA -0.115 4.538 4.640 0.023 0.000 0.202 168 D C 2.043 178.382 176.300 0.065 0.000 0.974 168 D CA 1.351 55.420 54.000 0.115 0.000 0.841 168 D CB 0.034 40.881 40.800 0.078 0.000 0.953 168 D HN 0.307 nan 8.370 nan 0.000 0.478 169 A N -0.254 122.594 122.820 0.048 0.000 2.235 169 A HA 0.354 4.688 4.320 0.023 0.000 0.208 169 A C 1.753 179.366 177.584 0.048 0.000 1.172 169 A CA 1.096 53.156 52.037 0.038 0.000 0.786 169 A CB -0.283 18.735 19.000 0.030 0.000 0.804 169 A HN 0.243 nan 8.150 nan 0.000 0.479 170 G N -1.726 107.113 108.800 0.065 0.000 2.143 170 G HA2 -0.267 3.707 3.960 0.023 0.000 0.248 170 G HA3 -0.267 3.707 3.960 0.023 0.000 0.248 170 G C 0.829 175.754 174.900 0.042 0.000 0.991 170 G CA 0.528 45.659 45.100 0.052 0.000 0.689 170 G HN 0.592 nan 8.290 nan 0.000 0.522 171 V N 0.229 120.181 119.914 0.062 0.000 2.273 171 V HA 0.189 4.323 4.120 0.023 0.000 0.242 171 V C 1.821 177.905 176.094 -0.017 0.000 1.035 171 V CA 1.599 63.921 62.300 0.037 0.000 1.013 171 V CB -0.174 31.706 31.823 0.096 0.000 0.652 171 V HN 0.453 nan 8.190 nan 0.000 0.452 172 I N 1.619 122.172 120.570 -0.028 0.000 2.379 172 I HA 0.104 4.288 4.170 0.023 0.000 0.290 172 I C 0.778 176.881 176.117 -0.024 0.000 1.063 172 I CA 0.174 61.425 61.300 -0.081 0.000 1.351 172 I CB 1.237 39.183 38.000 -0.089 0.000 1.410 172 I HN 0.157 nan 8.210 nan 0.000 0.505 173 V N 0.679 120.575 119.914 -0.030 0.000 3.548 173 V HA 0.424 4.558 4.120 0.023 0.000 0.279 173 V C -0.171 175.901 176.094 -0.036 0.000 1.446 173 V CA 0.160 62.464 62.300 0.007 0.000 1.023 173 V CB -0.055 31.808 31.823 0.068 0.000 0.820 173 V HN 0.697 nan 8.190 nan 0.000 0.438 174 D N 0.579 120.911 120.400 -0.115 0.000 2.837 174 D HA 0.633 5.286 4.640 0.023 0.000 0.220 174 D C -1.346 174.806 176.300 -0.248 0.000 1.236 174 D CA -0.293 53.610 54.000 -0.162 0.000 0.838 174 D CB 2.416 43.121 40.800 -0.159 0.000 1.647 174 D HN -0.015 nan 8.370 nan 0.000 0.486 175 I N 1.613 121.995 120.570 -0.312 0.000 2.411 175 I HA 0.265 4.449 4.170 0.023 0.000 0.284 175 I C -0.207 175.737 176.117 -0.287 0.000 1.012 175 I CA -0.531 60.527 61.300 -0.404 0.000 1.119 175 I CB 1.353 38.925 38.000 -0.713 0.000 1.261 175 I HN 0.483 nan 8.210 nan 0.000 0.448 176 E N 6.015 126.063 120.200 -0.253 0.000 2.146 176 E HA 0.409 4.773 4.350 0.023 0.000 0.282 176 E C -1.170 175.317 176.600 -0.188 0.000 0.989 176 E CA -0.527 55.759 56.400 -0.190 0.000 0.799 176 E CB 1.503 31.102 29.700 -0.168 0.000 1.088 176 E HN 0.370 nan 8.360 nan 0.000 0.397 177 V N 4.715 124.546 119.914 -0.139 0.000 2.389 177 V HA 0.285 4.419 4.120 0.023 0.000 0.264 177 V C 0.900 176.946 176.094 -0.080 0.000 1.049 177 V CA -0.361 61.882 62.300 -0.095 0.000 0.932 177 V CB 0.965 32.752 31.823 -0.060 0.000 1.011 177 V HN 0.791 nan 8.190 nan 0.000 0.475 178 G N 4.296 113.055 108.800 -0.068 0.000 2.398 178 G HA2 0.394 4.368 3.960 0.023 0.000 0.246 178 G HA3 0.394 4.368 3.960 0.023 0.000 0.246 178 G C 0.222 175.134 174.900 0.019 0.000 1.289 178 G CA -0.242 44.845 45.100 -0.021 0.000 0.869 178 G HN 0.751 nan 8.290 nan 0.000 0.543 179 L N 2.080 123.255 121.223 -0.080 0.000 3.184 179 L HA 0.436 4.789 4.340 0.023 0.000 0.283 179 L C 1.046 177.749 176.870 -0.278 0.000 1.218 179 L CA 0.253 55.057 54.840 -0.060 0.000 1.028 179 L CB 0.193 42.209 42.059 -0.072 0.000 1.400 179 L HN 0.847 nan 8.230 nan 0.000 0.591 180 G N -0.703 107.628 108.800 -0.782 0.000 2.325 180 G HA2 0.225 4.199 3.960 0.023 0.000 0.295 180 G HA3 0.225 4.199 3.960 0.023 0.000 0.295 180 G C -3.172 171.224 174.900 -0.839 0.000 1.274 180 G CA -0.716 43.584 45.100 -1.332 0.000 0.857 180 G HN -0.343 nan 8.290 nan 0.000 0.499 181 P HA 0.339 nan 4.420 nan 0.000 0.264 181 P C 0.707 177.812 177.300 -0.326 0.000 1.183 181 P CA 1.770 64.749 63.100 -0.202 0.000 0.763 181 P CB 1.014 32.627 31.700 -0.145 0.000 0.807 182 A N 3.119 125.733 122.820 -0.343 0.000 2.816 182 A HA -0.108 4.226 4.320 0.023 0.000 0.270 182 A C 1.566 178.728 177.584 -0.704 0.000 1.413 182 A CA 1.741 53.554 52.037 -0.372 0.000 0.866 182 A CB -2.470 16.478 19.000 -0.086 0.000 1.032 182 A HN 1.130 nan 8.150 nan 0.000 0.642 183 G N -2.246 105.809 108.800 -1.242 0.000 2.184 183 G HA2 -0.263 3.710 3.960 0.023 0.000 0.264 183 G HA3 -0.263 3.710 3.960 0.023 0.000 0.264 183 G C -0.118 174.606 174.900 -0.294 0.000 0.975 183 G CA 1.122 45.864 45.100 -0.597 0.000 0.642 183 G HN 1.236 nan 8.290 nan 0.000 0.536 184 E N -0.298 119.740 120.200 -0.270 0.000 2.266 184 E HA 0.537 4.901 4.350 0.023 0.000 0.277 184 E C 0.600 177.122 176.600 -0.129 0.000 1.018 184 E CA -0.699 55.628 56.400 -0.122 0.000 0.840 184 E CB 1.097 30.769 29.700 -0.046 0.000 1.082 184 E HN 0.285 nan 8.360 nan 0.000 0.395 185 M N 5.530 125.118 119.600 -0.021 0.000 2.821 185 M HA 0.106 4.600 4.480 0.023 0.000 0.305 185 M C -0.766 175.534 176.300 0.001 0.000 1.466 185 M CA 0.433 55.731 55.300 -0.003 0.000 1.526 185 M CB -0.646 31.995 32.600 0.068 0.000 1.321 185 M HN 0.534 nan 8.290 nan 0.000 0.492 186 R N 2.172 122.548 120.500 -0.208 0.000 2.728 186 R HA 0.384 4.737 4.340 0.023 0.000 0.274 186 R C -1.985 174.012 176.300 -0.505 0.000 1.030 186 R CA -0.978 54.922 56.100 -0.334 0.000 0.876 186 R CB 0.831 31.020 30.300 -0.186 0.000 1.259 186 R HN 0.305 nan 8.270 nan 0.000 0.468 187 Y N 0.399 120.427 120.300 -0.455 0.000 2.316 187 Y HA 0.370 4.937 4.550 0.027 0.000 0.324 187 Y C -1.591 174.073 175.900 -0.394 0.000 1.267 187 Y CA -2.197 55.561 58.100 -0.570 0.000 1.311 187 Y CB 1.053 39.218 38.460 -0.491 0.000 1.267 187 Y HN 0.409 nan 8.280 nan 0.000 0.516 188 P HA 0.053 nan 4.420 nan 0.000 0.214 188 P C 0.009 177.234 177.300 -0.125 0.000 1.826 188 P CA 0.016 63.002 63.100 -0.189 0.000 0.977 188 P CB -0.128 31.549 31.700 -0.039 0.000 1.930 189 S N -0.210 115.416 115.700 -0.122 0.000 2.562 189 S HA -0.071 4.412 4.470 0.023 0.000 0.221 189 S C 0.607 175.245 174.600 0.064 0.000 0.975 189 S CA 0.028 58.257 58.200 0.048 0.000 0.918 189 S CB -0.975 62.265 63.200 0.067 0.000 0.772 189 S HN 0.390 nan 8.310 nan 0.000 0.531 190 Y N -0.297 119.806 120.300 -0.329 0.000 2.511 190 Y HA 0.602 5.164 4.550 0.020 0.000 0.356 190 Y C -3.265 172.298 175.900 -0.561 0.000 1.002 190 Y CA -3.719 53.782 58.100 -0.998 0.000 1.127 190 Y CB 0.109 37.523 38.460 -1.742 0.000 1.137 190 Y HN -0.026 nan 8.280 nan 0.000 0.652 191 P HA 0.090 nan 4.420 nan 0.000 0.268 191 P C 0.302 177.682 177.300 0.133 0.000 1.541 191 P CA 0.171 63.232 63.100 -0.066 0.000 1.093 191 P CB 1.606 33.248 31.700 -0.096 0.000 1.551 192 Q N 2.461 122.414 119.800 0.255 0.000 2.297 192 Q HA -0.134 4.220 4.340 0.023 0.000 0.208 192 Q C 1.524 177.584 176.000 0.101 0.000 0.981 192 Q CA 1.888 57.910 55.803 0.365 0.000 0.876 192 Q CB 0.059 29.007 28.738 0.350 0.000 0.921 192 Q HN 0.463 nan 8.270 nan 0.000 0.446 193 S N -1.753 113.941 115.700 -0.009 0.000 2.556 193 S HA 0.052 4.536 4.470 0.023 0.000 0.216 193 S C 0.412 174.652 174.600 -0.600 0.000 0.970 193 S CA -0.328 57.717 58.200 -0.259 0.000 0.912 193 S CB 0.336 63.369 63.200 -0.279 0.000 0.790 193 S HN 0.347 nan 8.310 nan 0.000 0.504 194 H N 0.313 119.357 119.070 -0.043 0.000 2.924 194 H HA 0.384 4.952 4.556 0.020 0.000 0.229 194 H C 0.989 176.218 175.328 -0.164 0.000 1.345 194 H CA 0.152 56.147 56.048 -0.088 0.000 1.044 194 H CB 0.534 30.245 29.762 -0.085 0.000 2.221 194 H HN 0.515 nan 8.280 nan 0.000 0.574 195 G N 0.619 109.374 108.800 -0.076 0.000 2.159 195 G HA2 -0.204 3.770 3.960 0.023 0.000 0.170 195 G HA3 -0.204 3.770 3.960 0.023 0.000 0.170 195 G C -0.395 174.470 174.900 -0.059 0.000 1.007 195 G CA -0.289 44.756 45.100 -0.091 0.000 0.672 195 G HN 0.374 nan 8.290 nan 0.000 0.507 196 W N 1.711 122.870 121.300 -0.235 0.000 2.606 196 W HA 0.762 5.430 4.660 0.014 0.000 0.332 196 W C -0.335 176.176 176.519 -0.012 0.000 1.052 196 W CA -0.452 56.849 57.345 -0.074 0.000 1.223 196 W CB 2.025 31.462 29.460 -0.037 0.000 1.383 196 W HN 0.155 nan 8.180 nan 0.000 0.524 197 S N 5.476 120.687 115.700 -0.815 0.000 2.538 197 S HA 0.373 4.856 4.470 0.023 0.000 0.288 197 S C -1.073 172.559 174.600 -1.613 0.000 1.108 197 S CA -0.722 56.888 58.200 -0.984 0.000 0.971 197 S CB 1.054 63.982 63.200 -0.455 0.000 1.041 197 S HN 0.419 nan 8.310 nan 0.000 0.483 198 F N 5.589 124.516 119.950 -1.705 0.000 2.607 198 F HA 0.268 4.811 4.527 0.027 0.000 0.374 198 F C -1.507 173.915 175.800 -0.630 0.000 1.104 198 F CA -0.857 56.440 58.000 -1.171 0.000 1.296 198 F CB 0.689 39.224 39.000 -0.775 0.000 1.085 198 F HN 0.319 nan 8.300 nan 0.000 0.584 199 P HA 0.233 nan 4.420 nan 0.000 0.215 199 P C -0.107 177.127 177.300 -0.111 0.000 1.872 199 P CA -0.216 62.080 63.100 -1.341 0.000 0.996 199 P CB 0.122 30.843 31.700 -1.633 0.000 1.772 200 G N 1.387 110.147 108.800 -0.066 0.000 2.559 200 G HA2 0.082 4.056 3.960 0.023 0.000 0.235 200 G HA3 0.082 4.056 3.960 0.023 0.000 0.235 200 G C 1.216 176.548 174.900 0.720 0.000 1.266 200 G CA -0.585 44.705 45.100 0.316 0.000 0.847 200 G HN 0.383 nan 8.290 nan 0.000 0.583 201 I N 0.071 120.818 120.570 0.295 0.000 2.700 201 I HA 0.215 4.399 4.170 0.023 0.000 0.261 201 I C 1.295 177.429 176.117 0.028 0.000 1.219 201 I CA 0.624 61.905 61.300 -0.033 0.000 1.463 201 I CB -0.942 36.677 38.000 -0.636 0.000 1.092 201 I HN 0.980 nan 8.210 nan 0.000 0.452 202 G N 1.290 110.250 108.800 0.266 0.000 2.741 202 G HA2 -0.192 3.782 3.960 0.023 0.000 0.222 202 G HA3 -0.192 3.782 3.960 0.023 0.000 0.222 202 G C -0.693 174.098 174.900 -0.182 0.000 1.364 202 G CA -0.149 45.059 45.100 0.180 0.000 0.866 202 G HN 0.599 nan 8.290 nan 0.000 0.555 203 E N -1.297 118.735 120.200 -0.280 0.000 2.393 203 E HA 0.550 4.914 4.350 0.023 0.000 0.273 203 E C -1.000 175.375 176.600 -0.376 0.000 0.918 203 E CA -0.883 55.238 56.400 -0.465 0.000 0.773 203 E CB 1.505 30.792 29.700 -0.687 0.000 1.275 203 E HN 0.292 nan 8.360 nan 0.000 0.451 204 F N 1.730 121.568 119.950 -0.186 0.000 2.467 204 F HA 0.135 4.673 4.527 0.017 0.000 0.362 204 F C 0.761 176.518 175.800 -0.073 0.000 1.090 204 F CA -0.357 57.465 58.000 -0.298 0.000 1.202 204 F CB 0.395 39.089 39.000 -0.509 0.000 1.113 204 F HN 0.254 nan 8.300 nan 0.000 0.541 205 I N 4.163 124.832 120.570 0.166 0.000 3.004 205 I HA 0.116 4.299 4.170 0.023 0.000 0.328 205 I C 0.333 176.632 176.117 0.303 0.000 1.296 205 I CA -0.157 61.287 61.300 0.239 0.000 1.005 205 I CB -0.305 37.805 38.000 0.184 0.000 1.928 205 I HN 0.724 nan 8.210 nan 0.000 0.545 206 C N -2.116 117.340 119.300 0.260 0.000 3.115 206 C HA 0.343 4.817 4.460 0.023 0.000 0.277 206 C C 1.198 176.313 174.990 0.207 0.000 1.460 206 C CA -0.447 58.690 59.018 0.199 0.000 1.789 206 C CB -1.708 26.052 27.740 0.033 0.000 2.674 206 C HN 0.472 nan 8.230 nan 0.000 0.582 207 Y N 2.664 123.154 120.300 0.317 0.000 2.466 207 Y HA 0.147 4.715 4.550 0.030 0.000 0.272 207 Y C 1.134 177.228 175.900 0.323 0.000 1.169 207 Y CA -0.020 58.301 58.100 0.368 0.000 1.285 207 Y CB -0.438 38.171 38.460 0.248 0.000 1.078 207 Y HN 0.545 nan 8.280 nan 0.000 0.523 208 D N 0.228 120.897 120.400 0.449 0.000 2.400 208 D HA -0.052 4.602 4.640 0.023 0.000 0.238 208 D C 1.255 177.718 176.300 0.272 0.000 1.157 208 D CA -0.219 53.993 54.000 0.354 0.000 0.889 208 D CB 0.785 41.812 40.800 0.379 0.000 1.199 208 D HN 0.316 nan 8.370 nan 0.000 0.436 209 K N 0.849 121.314 120.400 0.107 0.000 2.211 209 K HA -0.238 4.096 4.320 0.023 0.000 0.203 209 K C 1.182 177.732 176.600 -0.083 0.000 1.050 209 K CA 0.937 57.197 56.287 -0.046 0.000 0.945 209 K CB -0.436 31.936 32.500 -0.212 0.000 0.732 209 K HN 0.540 nan 8.250 nan 0.000 0.451 210 Y N 1.766 122.166 120.300 0.165 0.000 2.163 210 Y HA -0.050 4.514 4.550 0.023 0.000 0.288 210 Y C 2.244 178.299 175.900 0.259 0.000 1.136 210 Y CA 0.996 59.196 58.100 0.166 0.000 1.147 210 Y CB -0.297 38.235 38.460 0.120 0.000 0.987 210 Y HN -0.092 nan 8.280 nan 0.000 0.509 211 L N -0.392 121.118 121.223 0.478 0.000 2.093 211 L HA -0.224 4.130 4.340 0.023 0.000 0.208 211 L C 2.356 179.609 176.870 0.638 0.000 1.085 211 L CA 1.216 56.428 54.840 0.619 0.000 0.755 211 L CB -0.624 41.827 42.059 0.654 0.000 0.904 211 L HN 0.326 nan 8.230 nan 0.000 0.435 212 Q N -0.039 120.010 119.800 0.416 0.000 2.084 212 Q HA -0.204 4.149 4.340 0.023 0.000 0.202 212 Q C 2.452 178.539 176.000 0.146 0.000 0.978 212 Q CA 1.704 57.622 55.803 0.192 0.000 0.844 212 Q CB -0.228 28.537 28.738 0.046 0.000 0.898 212 Q HN 0.564 nan 8.270 nan 0.000 0.426 213 A N 1.143 124.058 122.820 0.159 0.000 1.930 213 A HA -0.232 4.102 4.320 0.023 0.000 0.217 213 A C 1.677 179.375 177.584 0.189 0.000 1.175 213 A CA 1.827 53.938 52.037 0.123 0.000 0.627 213 A CB -0.570 18.488 19.000 0.096 0.000 0.815 213 A HN 0.400 nan 8.150 nan 0.000 0.443 214 D N -1.522 119.073 120.400 0.324 0.000 2.117 214 D HA -0.171 4.482 4.640 0.023 0.000 0.197 214 D C 1.630 178.159 176.300 0.382 0.000 0.987 214 D CA 1.418 55.665 54.000 0.411 0.000 0.829 214 D CB -0.228 40.912 40.800 0.566 0.000 0.961 214 D HN 0.372 nan 8.370 nan 0.000 0.460 215 F N 1.330 121.338 119.950 0.097 0.000 2.134 215 F HA -0.097 4.448 4.527 0.029 0.000 0.299 215 F C 2.150 177.837 175.800 -0.189 0.000 1.097 215 F CA 1.564 59.263 58.000 -0.501 0.000 1.264 215 F CB -0.240 38.241 39.000 -0.865 0.000 1.001 215 F HN -0.162 nan 8.300 nan 0.000 0.479 216 K N 0.353 120.730 120.400 -0.038 0.000 2.063 216 K HA -0.193 4.141 4.320 0.023 0.000 0.208 216 K C 2.193 178.727 176.600 -0.110 0.000 1.048 216 K CA 1.392 57.626 56.287 -0.089 0.000 0.928 216 K CB -0.469 32.018 32.500 -0.021 0.000 0.713 216 K HN 0.325 nan 8.250 nan 0.000 0.442 217 A N 0.936 123.741 122.820 -0.026 0.000 1.898 217 A HA -0.060 4.273 4.320 0.023 0.000 0.216 217 A C 2.332 179.915 177.584 -0.002 0.000 1.181 217 A CA 1.761 53.800 52.037 0.004 0.000 0.620 217 A CB -0.783 18.257 19.000 0.068 0.000 0.819 217 A HN 0.501 nan 8.150 nan 0.000 0.442 218 A N -0.125 122.704 122.820 0.016 0.000 1.902 218 A HA 0.179 4.513 4.320 0.023 0.000 0.217 218 A C 2.501 180.139 177.584 0.090 0.000 1.181 218 A CA 2.052 54.159 52.037 0.116 0.000 0.623 218 A CB -0.992 18.132 19.000 0.207 0.000 0.818 218 A HN 1.024 nan 8.150 nan 0.000 0.443 219 A N -0.166 122.538 122.820 -0.193 0.000 1.898 219 A HA 0.189 4.523 4.320 0.023 0.000 0.216 219 A C 2.491 179.874 177.584 -0.335 0.000 1.181 219 A CA 1.990 53.787 52.037 -0.401 0.000 0.620 219 A CB -0.980 17.710 19.000 -0.516 0.000 0.819 219 A HN 1.047 nan 8.150 nan 0.000 0.442 220 A N -0.114 122.572 122.820 -0.225 0.000 1.933 220 A HA 0.172 4.506 4.320 0.023 0.000 0.218 220 A C 2.443 179.932 177.584 -0.158 0.000 1.175 220 A CA 1.922 53.845 52.037 -0.190 0.000 0.628 220 A CB -0.922 18.002 19.000 -0.127 0.000 0.814 220 A HN 1.077 nan 8.150 nan 0.000 0.444 221 A N -0.182 122.583 122.820 -0.093 0.000 2.019 221 A HA 0.044 4.378 4.320 0.023 0.000 0.219 221 A C 1.854 179.397 177.584 -0.069 0.000 1.164 221 A CA 1.765 53.774 52.037 -0.047 0.000 0.644 221 A CB -0.819 18.195 19.000 0.023 0.000 0.805 221 A HN 1.206 nan 8.150 nan 0.000 0.449 222 V N -4.308 115.532 119.914 -0.123 0.000 3.342 222 V HA 0.584 4.718 4.120 0.023 0.000 0.322 222 V C 1.054 176.973 176.094 -0.292 0.000 1.370 222 V CA 0.434 62.643 62.300 -0.152 0.000 1.170 222 V CB -0.838 30.922 31.823 -0.106 0.000 1.101 222 V HN 1.413 nan 8.190 nan 0.000 0.442 223 G N 0.809 109.405 108.800 -0.339 0.000 2.136 223 G HA2 -0.233 3.741 3.960 0.023 0.000 0.242 223 G HA3 -0.233 3.741 3.960 0.023 0.000 0.242 223 G C 0.050 174.478 174.900 -0.788 0.000 0.989 223 G CA 0.464 45.285 45.100 -0.465 0.000 0.682 223 G HN 0.728 nan 8.290 nan 0.000 0.522 224 H N -0.172 118.497 119.070 -0.668 0.000 2.386 224 H HA 0.212 4.782 4.556 0.024 0.000 0.232 224 H C -1.639 173.313 175.328 -0.626 0.000 1.416 224 H CA -0.709 54.784 56.048 -0.926 0.000 1.285 224 H CB 1.410 29.945 29.762 -2.046 0.000 1.625 224 H HN 0.264 nan 8.280 nan 0.000 0.521 225 P HA -0.150 nan 4.420 nan 0.000 0.225 225 P C 1.353 178.587 177.300 -0.111 0.000 1.148 225 P CA 0.996 63.980 63.100 -0.194 0.000 0.779 225 P CB 0.452 32.056 31.700 -0.159 0.000 0.780 226 E N -1.335 118.807 120.200 -0.096 0.000 2.435 226 E HA -0.105 4.259 4.350 0.023 0.000 0.195 226 E C 0.277 176.977 176.600 0.165 0.000 1.029 226 E CA 0.025 56.434 56.400 0.014 0.000 0.865 226 E CB -0.754 28.957 29.700 0.019 0.000 0.833 226 E HN 0.132 nan 8.360 nan 0.000 0.510 227 W N 2.427 123.719 121.300 -0.013 0.000 2.231 227 W HA 0.189 4.866 4.660 0.027 0.000 0.341 227 W C 0.632 177.222 176.519 0.118 0.000 1.298 227 W CA -0.363 56.999 57.345 0.029 0.000 1.266 227 W CB 0.145 29.603 29.460 -0.004 0.000 1.172 227 W HN 0.014 nan 8.180 nan 0.000 0.568 228 E N 1.095 121.417 120.200 0.203 0.000 2.378 228 E HA 0.377 4.740 4.350 0.023 0.000 0.265 228 E C -0.794 175.588 176.600 -0.363 0.000 0.932 228 E CA -1.207 55.117 56.400 -0.125 0.000 0.795 228 E CB 1.225 30.825 29.700 -0.166 0.000 1.296 228 E HN -0.093 nan 8.360 nan 0.000 0.438 229 F N 1.902 121.420 119.950 -0.721 0.000 2.589 229 F HA 0.095 4.633 4.527 0.018 0.000 0.352 229 F C -1.568 173.743 175.800 -0.815 0.000 1.168 229 F CA -2.050 55.314 58.000 -1.061 0.000 1.353 229 F CB -0.667 37.715 39.000 -1.030 0.000 1.116 229 F HN 0.144 nan 8.300 nan 0.000 0.608 230 P HA 0.038 nan 4.420 nan 0.000 0.268 230 P C -0.148 176.895 177.300 -0.428 0.000 1.204 230 P CA -0.071 62.638 63.100 -0.652 0.000 0.768 230 P CB 0.500 31.586 31.700 -1.023 0.000 0.842 231 N N 0.647 119.195 118.700 -0.254 0.000 2.187 231 N HA -0.031 4.723 4.740 0.023 0.000 0.212 231 N C -0.141 175.297 175.510 -0.120 0.000 1.152 231 N CA -0.102 52.853 53.050 -0.158 0.000 0.872 231 N CB -0.307 38.117 38.487 -0.105 0.000 1.025 231 N HN 0.231 nan 8.380 nan 0.000 0.514 232 D N 0.048 120.376 120.400 -0.121 0.000 2.755 232 D HA 0.039 4.692 4.640 0.023 0.000 0.257 232 D C 0.867 177.164 176.300 -0.005 0.000 1.291 232 D CA -0.563 53.413 54.000 -0.040 0.000 0.836 232 D CB -0.143 40.657 40.800 -0.000 0.000 1.059 232 D HN 0.141 nan 8.370 nan 0.000 0.486 233 V N -3.996 115.883 119.914 -0.058 0.000 3.578 233 V HA 0.527 4.660 4.120 0.023 0.000 0.290 233 V C 1.267 177.442 176.094 0.134 0.000 1.376 233 V CA 0.252 62.564 62.300 0.020 0.000 1.083 233 V CB -0.437 31.320 31.823 -0.110 0.000 0.911 233 V HN 0.397 nan 8.190 nan 0.000 0.433 234 G N 1.096 109.925 108.800 0.048 0.000 2.564 234 G HA2 -0.247 3.727 3.960 0.023 0.000 0.273 234 G HA3 -0.247 3.727 3.960 0.023 0.000 0.273 234 G C -0.322 174.572 174.900 -0.011 0.000 1.242 234 G CA 0.749 45.867 45.100 0.031 0.000 0.951 234 G HN 0.783 nan 8.290 nan 0.000 0.564 235 Q N -2.239 117.559 119.800 -0.003 0.000 2.615 235 Q HA 0.563 4.917 4.340 0.023 0.000 0.298 235 Q C 0.698 176.703 176.000 0.009 0.000 1.023 235 Q CA -0.919 54.877 55.803 -0.011 0.000 0.768 235 Q CB 1.165 29.972 28.738 0.116 0.000 1.500 235 Q HN 0.481 nan 8.270 nan 0.000 0.441 236 Y N 0.729 121.123 120.300 0.157 0.000 2.096 236 Y HA -0.284 4.281 4.550 0.025 0.000 0.278 236 Y C 1.612 177.649 175.900 0.228 0.000 1.192 236 Y CA 1.872 60.116 58.100 0.239 0.000 1.143 236 Y CB -0.119 38.530 38.460 0.315 0.000 0.963 236 Y HN 0.512 nan 8.280 nan 0.000 0.505 237 N N 0.029 118.887 118.700 0.263 0.000 2.270 237 N HA -0.008 4.746 4.740 0.023 0.000 0.198 237 N C -0.459 175.081 175.510 0.050 0.000 1.117 237 N CA 0.218 53.333 53.050 0.108 0.000 0.845 237 N CB -0.221 38.285 38.487 0.032 0.000 0.980 237 N HN 0.303 nan 8.380 nan 0.000 0.486 238 D N 0.671 121.090 120.400 0.032 0.000 2.361 238 D HA 0.022 4.676 4.640 0.023 0.000 0.239 238 D C 1.015 177.250 176.300 -0.109 0.000 1.200 238 D CA 0.567 54.546 54.000 -0.035 0.000 0.915 238 D CB 0.925 41.699 40.800 -0.044 0.000 1.170 238 D HN 0.173 nan 8.370 nan 0.000 0.444 239 T N -2.705 111.746 114.554 -0.172 0.000 2.952 239 T HA 0.414 4.778 4.350 0.023 0.000 0.286 239 T C -2.044 172.370 174.700 -0.476 0.000 1.024 239 T CA -1.732 60.111 62.100 -0.427 0.000 1.029 239 T CB 1.861 70.608 68.868 -0.202 0.000 1.094 239 T HN -0.072 nan 8.240 nan 0.000 0.515 240 P HA -0.063 nan 4.420 nan 0.000 0.215 240 P C 1.362 178.594 177.300 -0.114 0.000 1.153 240 P CA 0.928 63.800 63.100 -0.380 0.000 0.853 240 P CB 0.089 31.535 31.700 -0.423 0.000 0.788 241 E N -0.935 119.198 120.200 -0.111 0.000 2.478 241 E HA -0.064 4.300 4.350 0.023 0.000 0.198 241 E C 1.687 178.282 176.600 -0.008 0.000 1.046 241 E CA 0.477 56.862 56.400 -0.025 0.000 0.870 241 E CB -0.311 29.384 29.700 -0.009 0.000 0.818 241 E HN 0.228 nan 8.360 nan 0.000 0.527 242 R N 0.802 121.286 120.500 -0.026 0.000 2.316 242 R HA 0.006 4.360 4.340 0.023 0.000 0.202 242 R C 1.089 177.406 176.300 0.029 0.000 1.029 242 R CA 0.464 56.562 56.100 -0.003 0.000 1.018 242 R CB -0.389 29.901 30.300 -0.017 0.000 0.888 242 R HN 0.190 nan 8.270 nan 0.000 0.471 243 T N -3.360 111.232 114.554 0.062 0.000 2.906 243 T HA 0.280 4.644 4.350 0.023 0.000 0.295 243 T C 0.749 175.513 174.700 0.107 0.000 1.061 243 T CA -0.875 61.292 62.100 0.113 0.000 1.000 243 T CB 2.570 71.584 68.868 0.244 0.000 1.103 243 T HN -0.214 nan 8.240 nan 0.000 0.486 244 Q N 0.581 120.433 119.800 0.085 0.000 2.245 244 Q HA 0.067 4.421 4.340 0.023 0.000 0.201 244 Q C 1.403 177.446 176.000 0.071 0.000 0.955 244 Q CA 0.900 56.739 55.803 0.060 0.000 0.870 244 Q CB -0.303 28.453 28.738 0.031 0.000 0.945 244 Q HN 0.848 nan 8.270 nan 0.000 0.461 245 F N -0.077 119.821 119.950 -0.087 0.000 2.128 245 F HA -0.149 4.391 4.527 0.022 0.000 0.295 245 F C 1.355 177.081 175.800 -0.124 0.000 1.100 245 F CA 1.257 59.124 58.000 -0.221 0.000 1.260 245 F CB -0.005 38.685 39.000 -0.516 0.000 1.009 245 F HN -0.065 nan 8.300 nan 0.000 0.476 246 F N 0.653 120.715 119.950 0.186 0.000 2.749 246 F HA 0.191 4.723 4.527 0.009 0.000 0.300 246 F C 1.159 176.946 175.800 -0.023 0.000 1.103 246 F CA -0.362 57.648 58.000 0.016 0.000 1.342 246 F CB -0.587 38.388 39.000 -0.042 0.000 1.098 246 F HN -0.216 nan 8.300 nan 0.000 0.586 247 R N 0.714 121.322 120.500 0.181 0.000 2.784 247 R HA 0.048 4.402 4.340 0.023 0.000 0.266 247 R C -0.262 176.136 176.300 0.164 0.000 1.044 247 R CA -0.650 55.518 56.100 0.114 0.000 1.151 247 R CB 0.157 30.501 30.300 0.073 0.000 1.037 247 R HN -0.074 nan 8.270 nan 0.000 0.478 248 D N 1.071 121.544 120.400 0.121 0.000 2.493 248 D HA -0.071 4.583 4.640 0.023 0.000 0.240 248 D C -0.149 176.208 176.300 0.094 0.000 1.142 248 D CA 0.796 54.879 54.000 0.138 0.000 0.872 248 D CB 0.205 41.054 40.800 0.082 0.000 1.173 248 D HN 0.689 nan 8.370 nan 0.000 0.467 249 N N 1.534 120.279 118.700 0.075 0.000 2.782 249 N HA -0.132 4.622 4.740 0.023 0.000 0.251 249 N C 0.407 175.873 175.510 -0.073 0.000 1.101 249 N CA 1.058 54.089 53.050 -0.030 0.000 0.764 249 N CB -1.419 37.055 38.487 -0.021 0.000 1.122 249 N HN 0.525 nan 8.380 nan 0.000 0.561 250 G N -0.170 108.607 108.800 -0.038 0.000 2.535 250 G HA2 0.333 4.307 3.960 0.023 0.000 0.282 250 G HA3 0.333 4.307 3.960 0.023 0.000 0.282 250 G C 1.112 175.858 174.900 -0.256 0.000 1.350 250 G CA 0.448 45.509 45.100 -0.065 0.000 1.039 250 G HN 0.227 nan 8.290 nan 0.000 0.509 251 T N -2.535 111.866 114.554 -0.255 0.000 3.118 251 T HA -0.129 4.234 4.350 0.023 0.000 0.260 251 T C 1.854 176.201 174.700 -0.589 0.000 1.139 251 T CA 1.487 63.397 62.100 -0.315 0.000 1.085 251 T CB -0.483 68.302 68.868 -0.139 0.000 0.934 251 T HN 0.649 nan 8.240 nan 0.000 0.518 252 Y N 1.289 120.945 120.300 -1.074 0.000 2.384 252 Y HA 0.158 4.720 4.550 0.020 0.000 0.289 252 Y C 1.685 177.344 175.900 -0.401 0.000 1.152 252 Y CA 0.400 57.816 58.100 -1.139 0.000 1.258 252 Y CB -0.779 37.051 38.460 -1.050 0.000 0.979 252 Y HN 0.227 nan 8.280 nan 0.000 0.549 253 L N 0.783 121.488 121.223 -0.863 0.000 2.418 253 L HA 0.038 4.392 4.340 0.023 0.000 0.218 253 L C 1.505 178.209 176.870 -0.277 0.000 1.125 253 L CA 0.295 54.781 54.840 -0.592 0.000 0.835 253 L CB -0.490 41.186 42.059 -0.637 0.000 0.953 253 L HN 0.331 nan 8.230 nan 0.000 0.454 254 S N -1.042 114.506 115.700 -0.252 0.000 2.608 254 S HA -0.045 4.439 4.470 0.023 0.000 0.261 254 S C 1.128 175.669 174.600 -0.098 0.000 1.314 254 S CA -0.413 57.694 58.200 -0.155 0.000 0.992 254 S CB 1.196 64.299 63.200 -0.162 0.000 0.935 254 S HN 0.270 nan 8.310 nan 0.000 0.564 255 E N 1.190 121.350 120.200 -0.066 0.000 2.049 255 E HA -0.248 4.116 4.350 0.023 0.000 0.198 255 E C 1.834 178.360 176.600 -0.124 0.000 1.007 255 E CA 1.587 57.977 56.400 -0.016 0.000 0.809 255 E CB -0.222 29.507 29.700 0.048 0.000 0.749 255 E HN 0.733 nan 8.360 nan 0.000 0.450 256 K N -0.534 119.640 120.400 -0.377 0.000 2.057 256 K HA -0.110 4.224 4.320 0.023 0.000 0.207 256 K C 2.172 178.617 176.600 -0.258 0.000 1.049 256 K CA 1.088 56.912 56.287 -0.771 0.000 0.931 256 K CB -0.311 31.640 32.500 -0.915 0.000 0.714 256 K HN 0.248 nan 8.250 nan 0.000 0.440 257 G N 1.283 110.020 108.800 -0.105 0.000 2.421 257 G HA2 -0.254 3.720 3.960 0.023 0.000 0.216 257 G HA3 -0.254 3.720 3.960 0.023 0.000 0.216 257 G C 1.431 176.409 174.900 0.130 0.000 1.171 257 G CA 0.535 45.687 45.100 0.086 0.000 0.775 257 G HN 0.211 nan 8.290 nan 0.000 0.543 258 R N -0.830 119.728 120.500 0.097 0.000 2.081 258 R HA -0.048 4.306 4.340 0.023 0.000 0.235 258 R C 2.311 178.740 176.300 0.214 0.000 1.131 258 R CA 1.334 57.549 56.100 0.192 0.000 0.960 258 R CB -0.553 29.870 30.300 0.205 0.000 0.856 258 R HN 0.427 nan 8.270 nan 0.000 0.436 259 F N 0.803 120.816 119.950 0.105 0.000 2.102 259 F HA -0.224 4.316 4.527 0.021 0.000 0.298 259 F C 2.054 178.009 175.800 0.258 0.000 1.105 259 F CA 1.343 59.459 58.000 0.192 0.000 1.239 259 F CB -0.410 38.723 39.000 0.223 0.000 0.991 259 F HN -0.073 nan 8.300 nan 0.000 0.474 260 F N 0.797 120.862 119.950 0.191 0.000 2.102 260 F HA -0.193 4.352 4.527 0.030 0.000 0.298 260 F C 1.877 177.671 175.800 -0.010 0.000 1.105 260 F CA 1.831 59.916 58.000 0.142 0.000 1.239 260 F CB -0.730 38.224 39.000 -0.077 0.000 0.991 260 F HN -0.023 nan 8.300 nan 0.000 0.474 261 L N -0.063 120.943 121.223 -0.361 0.000 2.046 261 L HA -0.174 4.180 4.340 0.023 0.000 0.208 261 L C 2.826 179.382 176.870 -0.523 0.000 1.077 261 L CA 1.120 55.541 54.840 -0.699 0.000 0.747 261 L CB -1.228 40.198 42.059 -1.056 0.000 0.896 261 L HN 0.266 nan 8.230 nan 0.000 0.432 262 A N -0.435 122.263 122.820 -0.203 0.000 1.902 262 A HA -0.283 4.051 4.320 0.023 0.000 0.217 262 A C 2.009 179.567 177.584 -0.043 0.000 1.181 262 A CA 1.670 53.741 52.037 0.058 0.000 0.623 262 A CB -1.096 17.979 19.000 0.125 0.000 0.818 262 A HN 0.636 nan 8.150 nan 0.000 0.443 263 W N -0.689 120.414 121.300 -0.330 0.000 2.335 263 W HA -0.260 4.413 4.660 0.020 0.000 0.311 263 W C 2.041 178.480 176.519 -0.133 0.000 1.213 263 W CA 2.129 59.327 57.345 -0.245 0.000 1.274 263 W CB -0.590 28.732 29.460 -0.229 0.000 1.148 263 W HN 0.441 nan 8.180 nan 0.000 0.498 264 Y N 1.726 121.725 120.300 -0.503 0.000 2.163 264 Y HA -0.235 4.332 4.550 0.028 0.000 0.288 264 Y C 2.927 178.614 175.900 -0.354 0.000 1.136 264 Y CA 2.991 60.660 58.100 -0.718 0.000 1.147 264 Y CB -0.903 37.025 38.460 -0.887 0.000 0.987 264 Y HN 0.058 nan 8.280 nan 0.000 0.509 265 S N -0.355 115.265 115.700 -0.133 0.000 2.387 265 S HA -0.140 4.344 4.470 0.023 0.000 0.226 265 S C 1.750 176.301 174.600 -0.082 0.000 1.026 265 S CA 1.094 59.264 58.200 -0.050 0.000 0.972 265 S CB -0.565 62.702 63.200 0.112 0.000 0.814 265 S HN 0.459 nan 8.310 nan 0.000 0.477 266 N N 2.732 121.368 118.700 -0.107 0.000 2.166 266 N HA 0.001 4.755 4.740 0.023 0.000 0.186 266 N C 1.471 176.893 175.510 -0.147 0.000 1.019 266 N CA 1.002 53.997 53.050 -0.092 0.000 0.856 266 N CB -0.798 37.645 38.487 -0.073 0.000 0.993 266 N HN 0.402 nan 8.380 nan 0.000 0.426 267 N N 0.879 119.402 118.700 -0.294 0.000 2.166 267 N HA -0.021 4.733 4.740 0.023 0.000 0.186 267 N C 1.790 177.191 175.510 -0.182 0.000 1.019 267 N CA 0.413 53.297 53.050 -0.278 0.000 0.856 267 N CB -0.226 37.971 38.487 -0.482 0.000 0.993 267 N HN 0.273 nan 8.380 nan 0.000 0.426 268 L N 0.389 121.478 121.223 -0.223 0.000 2.056 268 L HA -0.088 4.266 4.340 0.023 0.000 0.207 268 L C 2.120 178.980 176.870 -0.017 0.000 1.078 268 L CA 0.763 55.499 54.840 -0.173 0.000 0.749 268 L CB -0.319 41.608 42.059 -0.221 0.000 0.901 268 L HN 0.113 nan 8.230 nan 0.000 0.433 269 I N -0.204 120.357 120.570 -0.016 0.000 2.163 269 I HA -0.326 3.858 4.170 0.023 0.000 0.243 269 I C 2.555 178.692 176.117 0.033 0.000 1.085 269 I CA 1.470 62.782 61.300 0.020 0.000 1.347 269 I CB -0.302 37.707 38.000 0.016 0.000 1.044 269 I HN 0.213 nan 8.210 nan 0.000 0.408 270 K N -0.408 120.006 120.400 0.025 0.000 2.057 270 K HA -0.258 4.076 4.320 0.023 0.000 0.207 270 K C 2.167 178.813 176.600 0.076 0.000 1.049 270 K CA 1.690 58.004 56.287 0.044 0.000 0.931 270 K CB -0.422 32.095 32.500 0.029 0.000 0.714 270 K HN 0.352 nan 8.250 nan 0.000 0.440 271 H N 0.449 119.499 119.070 -0.032 0.000 2.319 271 H HA -0.093 4.478 4.556 0.024 0.000 0.299 271 H C 2.027 177.348 175.328 -0.012 0.000 1.092 271 H CA 2.142 58.179 56.048 -0.018 0.000 1.302 271 H CB -0.576 29.163 29.762 -0.039 0.000 1.373 271 H HN 0.229 nan 8.280 nan 0.000 0.497 272 G N -0.413 108.360 108.800 -0.046 0.000 2.446 272 G HA2 -0.338 3.636 3.960 0.023 0.000 0.217 272 G HA3 -0.338 3.636 3.960 0.023 0.000 0.217 272 G C 1.589 176.425 174.900 -0.106 0.000 1.168 272 G CA 1.044 46.071 45.100 -0.121 0.000 0.771 272 G HN 0.541 nan 8.290 nan 0.000 0.551 273 D N 0.756 121.150 120.400 -0.010 0.000 2.097 273 D HA -0.142 4.512 4.640 0.023 0.000 0.195 273 D C 2.738 179.048 176.300 0.017 0.000 0.989 273 D CA 1.389 55.431 54.000 0.070 0.000 0.827 273 D CB -0.199 40.678 40.800 0.129 0.000 0.966 273 D HN 0.477 nan 8.370 nan 0.000 0.456 274 R N 0.332 120.830 120.500 -0.002 0.000 2.090 274 R HA -0.023 4.331 4.340 0.023 0.000 0.228 274 R C 2.395 178.665 176.300 -0.051 0.000 1.110 274 R CA 1.097 57.196 56.100 -0.001 0.000 0.973 274 R CB -0.775 29.535 30.300 0.017 0.000 0.869 274 R HN 0.267 nan 8.270 nan 0.000 0.440 275 I N 1.497 121.996 120.570 -0.117 0.000 2.286 275 I HA -0.190 3.994 4.170 0.023 0.000 0.245 275 I C 2.378 178.414 176.117 -0.135 0.000 1.104 275 I CA 0.955 62.182 61.300 -0.123 0.000 1.397 275 I CB -0.191 37.690 38.000 -0.198 0.000 1.072 275 I HN 0.069 nan 8.210 nan 0.000 0.417 276 L N 0.395 121.475 121.223 -0.239 0.000 2.083 276 L HA -0.253 4.100 4.340 0.023 0.000 0.209 276 L C 2.157 178.821 176.870 -0.344 0.000 1.083 276 L CA 1.438 56.051 54.840 -0.379 0.000 0.752 276 L CB -0.560 41.058 42.059 -0.735 0.000 0.899 276 L HN 0.273 nan 8.230 nan 0.000 0.433 277 D N -0.298 119.979 120.400 -0.204 0.000 2.117 277 D HA -0.208 4.446 4.640 0.023 0.000 0.197 277 D C 2.125 178.450 176.300 0.041 0.000 0.987 277 D CA 1.092 55.128 54.000 0.060 0.000 0.829 277 D CB 0.199 41.090 40.800 0.153 0.000 0.961 277 D HN 0.159 nan 8.370 nan 0.000 0.460 278 E N 0.149 120.355 120.200 0.010 0.000 2.077 278 E HA -0.138 4.225 4.350 0.023 0.000 0.193 278 E C 2.153 178.779 176.600 0.042 0.000 0.989 278 E CA 1.040 57.453 56.400 0.023 0.000 0.800 278 E CB -0.595 29.113 29.700 0.012 0.000 0.746 278 E HN 0.379 nan 8.360 nan 0.000 0.452 279 A N 2.148 125.001 122.820 0.055 0.000 1.908 279 A HA -0.233 4.101 4.320 0.023 0.000 0.218 279 A C 2.082 179.793 177.584 0.213 0.000 1.181 279 A CA 1.742 53.872 52.037 0.156 0.000 0.627 279 A CB -0.737 18.348 19.000 0.141 0.000 0.818 279 A HN 0.276 nan 8.150 nan 0.000 0.445 280 N N -0.029 118.750 118.700 0.132 0.000 2.120 280 N HA -0.183 4.571 4.740 0.023 0.000 0.188 280 N C 1.678 177.272 175.510 0.140 0.000 1.024 280 N CA 1.710 54.858 53.050 0.163 0.000 0.852 280 N CB -0.228 38.362 38.487 0.172 0.000 1.003 280 N HN 0.537 nan 8.380 nan 0.000 0.424 281 K N 0.320 120.774 120.400 0.091 0.000 2.097 281 K HA -0.067 4.267 4.320 0.023 0.000 0.206 281 K C 2.113 178.722 176.600 0.015 0.000 1.049 281 K CA 0.968 57.289 56.287 0.056 0.000 0.933 281 K CB -0.008 32.515 32.500 0.038 0.000 0.717 281 K HN 0.046 nan 8.250 nan 0.000 0.442 282 V N 0.495 120.379 119.914 -0.050 0.000 2.295 282 V HA -0.209 3.925 4.120 0.023 0.000 0.246 282 V C 1.612 177.511 176.094 -0.325 0.000 1.049 282 V CA 1.709 63.852 62.300 -0.262 0.000 1.024 282 V CB -0.390 31.144 31.823 -0.482 0.000 0.648 282 V HN 0.179 nan 8.190 nan 0.000 0.447 283 F N -0.770 119.242 119.950 0.104 0.000 2.693 283 F HA 0.362 4.903 4.527 0.023 0.000 0.303 283 F C 0.663 176.612 175.800 0.248 0.000 1.097 283 F CA -0.799 57.299 58.000 0.163 0.000 1.330 283 F CB -0.223 38.830 39.000 0.088 0.000 1.067 283 F HN 0.026 nan 8.300 nan 0.000 0.565 284 L N 1.055 122.435 121.223 0.261 0.000 2.640 284 L HA 0.233 4.587 4.340 0.023 0.000 0.280 284 L C 1.276 178.233 176.870 0.144 0.000 1.229 284 L CA 1.093 56.038 54.840 0.174 0.000 0.919 284 L CB -0.068 42.052 42.059 0.101 0.000 1.168 284 L HN 0.502 nan 8.230 nan 0.000 0.496 285 G N 2.237 111.083 108.800 0.078 0.000 2.199 285 G HA2 -0.330 3.644 3.960 0.023 0.000 0.254 285 G HA3 -0.330 3.644 3.960 0.023 0.000 0.254 285 G C 0.098 174.914 174.900 -0.139 0.000 0.982 285 G CA 0.300 45.367 45.100 -0.054 0.000 0.632 285 G HN 0.613 nan 8.290 nan 0.000 0.529 286 Y N 0.596 120.957 120.300 0.101 0.000 2.307 286 Y HA 0.532 5.096 4.550 0.023 0.000 0.324 286 Y C 1.269 177.218 175.900 0.081 0.000 1.238 286 Y CA -0.289 57.873 58.100 0.105 0.000 1.280 286 Y CB 0.905 39.470 38.460 0.175 0.000 1.248 286 Y HN -0.054 nan 8.280 nan 0.000 0.508 287 K N 2.947 123.474 120.400 0.212 0.000 2.502 287 K HA 0.305 4.639 4.320 0.023 0.000 0.244 287 K C -1.093 175.581 176.600 0.124 0.000 1.249 287 K CA -0.240 56.127 56.287 0.133 0.000 1.193 287 K CB -0.379 32.182 32.500 0.103 0.000 1.674 287 K HN 0.436 nan 8.250 nan 0.000 0.302 288 V N -2.253 117.727 119.914 0.110 0.000 3.040 288 V HA 0.484 4.618 4.120 0.023 0.000 0.312 288 V C -0.767 175.338 176.094 0.017 0.000 1.115 288 V CA -1.054 61.269 62.300 0.038 0.000 0.998 288 V CB 1.857 33.650 31.823 -0.049 0.000 1.042 288 V HN 0.283 nan 8.190 nan 0.000 0.433 289 Q N 2.114 121.904 119.800 -0.016 0.000 2.309 289 Q HA 0.803 5.157 4.340 0.023 0.000 0.264 289 Q C -0.879 175.063 176.000 -0.096 0.000 1.008 289 Q CA -0.810 54.969 55.803 -0.040 0.000 0.853 289 Q CB 1.815 30.529 28.738 -0.039 0.000 1.314 289 Q HN 0.897 nan 8.270 nan 0.000 0.448 290 L N 1.529 122.702 121.223 -0.083 0.000 2.307 290 L HA 0.894 5.248 4.340 0.023 0.000 0.282 290 L C 0.104 176.922 176.870 -0.087 0.000 1.051 290 L CA -0.838 53.938 54.840 -0.107 0.000 0.804 290 L CB 1.536 43.556 42.059 -0.064 0.000 1.197 290 L HN 1.018 nan 8.230 nan 0.000 0.431 291 A N 3.888 126.646 122.820 -0.103 0.000 2.469 291 A HA 0.874 5.208 4.320 0.023 0.000 0.299 291 A C -0.789 176.747 177.584 -0.080 0.000 1.098 291 A CA -0.587 51.402 52.037 -0.079 0.000 0.737 291 A CB 1.906 20.858 19.000 -0.080 0.000 1.312 291 A HN 0.730 nan 8.150 nan 0.000 0.414 292 I N -1.792 118.744 120.570 -0.056 0.000 2.910 292 I HA 0.901 5.085 4.170 0.023 0.000 0.310 292 I C -0.613 175.487 176.117 -0.028 0.000 1.043 292 I CA -1.075 60.195 61.300 -0.050 0.000 1.053 292 I CB 2.060 40.038 38.000 -0.036 0.000 1.242 292 I HN 0.441 nan 8.210 nan 0.000 0.452 293 K N 4.328 124.714 120.400 -0.023 0.000 2.307 293 K HA 0.619 4.952 4.320 0.023 0.000 0.263 293 K C -1.506 175.129 176.600 0.058 0.000 0.973 293 K CA -0.393 55.896 56.287 0.003 0.000 0.846 293 K CB 1.034 33.512 32.500 -0.036 0.000 1.100 293 K HN 0.725 nan 8.250 nan 0.000 0.438 294 I N 3.090 123.732 120.570 0.121 0.000 2.359 294 I HA 0.238 4.422 4.170 0.023 0.000 0.294 294 I C 0.042 176.299 176.117 0.234 0.000 0.987 294 I CA -0.759 60.656 61.300 0.193 0.000 1.225 294 I CB 1.958 40.025 38.000 0.111 0.000 1.366 294 I HN 0.573 nan 8.210 nan 0.000 0.466 295 S N 3.562 119.445 115.700 0.306 0.000 2.592 295 S HA 0.329 4.812 4.470 0.023 0.000 0.271 295 S C 0.461 175.192 174.600 0.219 0.000 1.326 295 S CA -0.536 57.804 58.200 0.233 0.000 1.024 295 S CB 1.216 64.614 63.200 0.331 0.000 0.921 295 S HN 0.821 nan 8.310 nan 0.000 0.527 296 G N 2.104 110.893 108.800 -0.018 0.000 2.741 296 G HA2 0.450 4.424 3.960 0.023 0.000 0.336 296 G HA3 0.450 4.424 3.960 0.023 0.000 0.336 296 G C -0.273 174.655 174.900 0.047 0.000 1.022 296 G CA -0.426 44.626 45.100 -0.080 0.000 1.193 296 G HN 0.574 nan 8.290 nan 0.000 0.455 297 I N 4.042 124.597 120.570 -0.025 0.000 2.257 297 I HA 0.122 4.306 4.170 0.023 0.000 0.290 297 I C 1.135 177.029 176.117 -0.372 0.000 1.137 297 I CA -0.601 60.338 61.300 -0.601 0.000 1.255 297 I CB -0.338 37.372 38.000 -0.483 0.000 1.485 297 I HN 0.737 nan 8.210 nan 0.000 0.534 298 H N 2.705 121.731 119.070 -0.074 0.000 2.512 298 H HA -0.003 4.568 4.556 0.025 0.000 0.279 298 H C 0.367 175.802 175.328 0.178 0.000 0.999 298 H CA -0.487 55.621 56.048 0.100 0.000 1.283 298 H CB -0.463 29.375 29.762 0.126 0.000 1.421 298 H HN 0.529 nan 8.280 nan 0.000 0.554 299 W N -0.289 120.868 121.300 -0.239 0.000 2.238 299 W HA 0.301 4.971 4.660 0.017 0.000 0.321 299 W C -0.520 175.868 176.519 -0.219 0.000 1.293 299 W CA -1.329 55.817 57.345 -0.331 0.000 1.204 299 W CB 0.256 29.398 29.460 -0.530 0.000 1.167 299 W HN 0.330 nan 8.180 nan 0.000 0.553 300 W N 0.492 121.853 121.300 0.102 0.000 2.303 300 W HA -0.380 4.300 4.660 0.033 0.000 0.267 300 W C 1.406 177.851 176.519 -0.124 0.000 1.054 300 W CA 0.679 58.002 57.345 -0.036 0.000 0.501 300 W CB -2.368 27.031 29.460 -0.101 0.000 2.076 300 W HN 0.704 nan 8.180 nan 0.000 1.317 301 Y N 1.281 121.539 120.300 -0.070 0.000 2.333 301 Y HA -0.161 4.402 4.550 0.023 0.000 0.290 301 Y C 2.142 177.838 175.900 -0.339 0.000 1.144 301 Y CA 2.376 60.351 58.100 -0.209 0.000 1.228 301 Y CB -0.111 38.368 38.460 0.032 0.000 0.985 301 Y HN -0.006 nan 8.280 nan 0.000 0.542 302 K N 0.079 120.496 120.400 0.028 0.000 2.486 302 K HA 0.049 4.383 4.320 0.023 0.000 0.194 302 K C 0.270 176.850 176.600 -0.032 0.000 1.033 302 K CA 0.559 56.858 56.287 0.021 0.000 1.004 302 K CB 0.117 32.660 32.500 0.072 0.000 0.798 302 K HN 0.195 nan 8.250 nan 0.000 0.495 303 V N -2.443 117.440 119.914 -0.052 0.000 2.834 303 V HA 0.281 4.415 4.120 0.023 0.000 0.313 303 V C -2.180 173.887 176.094 -0.045 0.000 1.060 303 V CA -2.065 60.245 62.300 0.017 0.000 0.989 303 V CB 1.677 33.586 31.823 0.144 0.000 1.041 303 V HN -0.174 nan 8.190 nan 0.000 0.459 304 P HA -0.112 nan 4.420 nan 0.000 0.216 304 P C 1.798 179.170 177.300 0.120 0.000 1.150 304 P CA 2.155 65.337 63.100 0.136 0.000 0.837 304 P CB 0.067 31.875 31.700 0.180 0.000 0.786 305 S N -2.500 113.131 115.700 -0.116 0.000 2.522 305 S HA -0.139 4.344 4.470 0.023 0.000 0.227 305 S C 0.747 175.335 174.600 -0.020 0.000 0.986 305 S CA 0.156 58.084 58.200 -0.452 0.000 0.929 305 S CB -1.339 61.596 63.200 -0.443 0.000 0.769 305 S HN 0.281 nan 8.310 nan 0.000 0.529 306 H N 0.441 119.478 119.070 -0.055 0.000 2.626 306 H HA -0.199 4.371 4.556 0.022 0.000 0.317 306 H C 1.490 176.830 175.328 0.019 0.000 1.140 306 H CA 0.413 56.472 56.048 0.019 0.000 1.134 306 H CB -1.544 28.215 29.762 -0.004 0.000 1.486 306 H HN 0.658 nan 8.280 nan 0.000 0.417 307 A N 0.675 123.485 122.820 -0.017 0.000 1.908 307 A HA -0.059 4.275 4.320 0.023 0.000 0.218 307 A C 2.488 179.919 177.584 -0.255 0.000 1.181 307 A CA 1.897 53.766 52.037 -0.282 0.000 0.627 307 A CB -0.483 17.970 19.000 -0.910 0.000 0.818 307 A HN 0.629 nan 8.150 nan 0.000 0.445 308 A N -0.497 122.252 122.820 -0.118 0.000 1.968 308 A HA -0.092 4.242 4.320 0.023 0.000 0.217 308 A C 1.880 179.369 177.584 -0.158 0.000 1.169 308 A CA 1.495 53.432 52.037 -0.167 0.000 0.638 308 A CB -0.447 18.363 19.000 -0.316 0.000 0.812 308 A HN 0.631 nan 8.150 nan 0.000 0.446 309 E N 0.049 120.234 120.200 -0.025 0.000 2.051 309 E HA -0.166 4.197 4.350 0.023 0.000 0.192 309 E C 1.925 178.612 176.600 0.146 0.000 0.991 309 E CA 1.256 57.744 56.400 0.146 0.000 0.799 309 E CB -0.309 29.580 29.700 0.315 0.000 0.748 309 E HN 0.616 nan 8.360 nan 0.000 0.449 310 L N 0.728 122.057 121.223 0.177 0.000 2.012 310 L HA -0.197 4.157 4.340 0.023 0.000 0.210 310 L C 2.893 179.912 176.870 0.247 0.000 1.073 310 L CA 1.769 56.778 54.840 0.281 0.000 0.748 310 L CB -1.111 41.215 42.059 0.445 0.000 0.891 310 L HN 0.360 nan 8.230 nan 0.000 0.431 311 T N -2.825 111.697 114.554 -0.053 0.000 2.951 311 T HA -0.033 4.331 4.350 0.023 0.000 0.268 311 T C 1.840 176.573 174.700 0.055 0.000 1.073 311 T CA 0.788 62.716 62.100 -0.286 0.000 1.134 311 T CB -0.222 68.294 68.868 -0.587 0.000 0.884 311 T HN 0.307 nan 8.240 nan 0.000 0.479 312 A N 1.177 124.009 122.820 0.020 0.000 2.066 312 A HA 0.499 4.833 4.320 0.023 0.000 0.218 312 A C 2.132 179.622 177.584 -0.156 0.000 1.157 312 A CA 1.029 53.034 52.037 -0.054 0.000 0.670 312 A CB -1.017 17.894 19.000 -0.148 0.000 0.804 312 A HN 1.444 nan 8.150 nan 0.000 0.453 313 G N -3.230 105.561 108.800 -0.015 0.000 2.159 313 G HA2 -0.158 3.816 3.960 0.023 0.000 0.170 313 G HA3 -0.158 3.816 3.960 0.023 0.000 0.170 313 G C -0.352 174.515 174.900 -0.055 0.000 1.007 313 G CA -0.031 45.055 45.100 -0.022 0.000 0.672 313 G HN 0.347 nan 8.290 nan 0.000 0.507 314 Y N 0.525 120.905 120.300 0.134 0.000 2.491 314 Y HA 0.525 5.090 4.550 0.025 0.000 0.334 314 Y C 0.128 176.050 175.900 0.036 0.000 0.969 314 Y CA -2.523 55.570 58.100 -0.011 0.000 1.241 314 Y CB 0.531 38.956 38.460 -0.058 0.000 1.105 314 Y HN 0.201 nan 8.280 nan 0.000 0.503 315 Y N 4.473 124.778 120.300 0.009 0.000 2.636 315 Y HA 0.268 4.833 4.550 0.026 0.000 0.334 315 Y C -0.575 175.255 175.900 -0.118 0.000 1.286 315 Y CA -1.285 56.813 58.100 -0.003 0.000 1.688 315 Y CB -0.412 38.058 38.460 0.016 0.000 1.662 315 Y HN 0.561 nan 8.280 nan 0.000 0.465 316 N N 4.753 123.450 118.700 -0.006 0.000 2.407 316 N HA 0.567 5.321 4.740 0.023 0.000 0.277 316 N C -1.622 173.606 175.510 -0.470 0.000 0.995 316 N CA -0.274 52.599 53.050 -0.295 0.000 0.903 316 N CB 0.892 39.196 38.487 -0.306 0.000 1.218 316 N HN 0.517 nan 8.380 nan 0.000 0.487 317 L N 1.600 122.545 121.223 -0.464 0.000 2.322 317 L HA 0.374 4.728 4.340 0.023 0.000 0.252 317 L C 1.576 178.275 176.870 -0.286 0.000 1.055 317 L CA -0.973 53.647 54.840 -0.368 0.000 0.849 317 L CB 1.502 43.523 42.059 -0.063 0.000 1.446 317 L HN 0.657 nan 8.230 nan 0.000 0.416 318 H N 0.439 119.445 119.070 -0.106 0.000 2.456 318 H HA -0.115 4.455 4.556 0.022 0.000 0.296 318 H C 0.209 175.502 175.328 -0.058 0.000 1.079 318 H CA 1.772 57.794 56.048 -0.042 0.000 1.322 318 H CB -0.093 29.693 29.762 0.039 0.000 1.388 318 H HN 0.728 nan 8.280 nan 0.000 0.538 319 D N -0.508 119.456 120.400 -0.727 0.000 2.501 319 D HA 0.152 4.805 4.640 0.023 0.000 0.226 319 D C 0.328 176.432 176.300 -0.327 0.000 1.198 319 D CA -0.440 53.237 54.000 -0.539 0.000 0.830 319 D CB 0.115 40.535 40.800 -0.632 0.000 1.014 319 D HN 0.257 nan 8.370 nan 0.000 0.496 320 R N 0.749 121.066 120.500 -0.306 0.000 2.531 320 R HA 0.138 4.492 4.340 0.023 0.000 0.293 320 R C -1.673 174.457 176.300 -0.283 0.000 1.124 320 R CA -0.488 55.428 56.100 -0.306 0.000 0.945 320 R CB 1.086 31.129 30.300 -0.428 0.000 1.195 320 R HN -0.180 nan 8.270 nan 0.000 0.433 321 D N 3.257 123.528 120.400 -0.215 0.000 2.402 321 D HA 0.115 4.769 4.640 0.023 0.000 0.235 321 D C 0.826 176.995 176.300 -0.218 0.000 1.226 321 D CA 0.270 54.167 54.000 -0.171 0.000 0.918 321 D CB 1.161 41.900 40.800 -0.102 0.000 1.043 321 D HN 0.838 nan 8.370 nan 0.000 0.506 322 G N 2.265 110.863 108.800 -0.337 0.000 2.920 322 G HA2 -0.171 3.803 3.960 0.023 0.000 0.208 322 G HA3 -0.171 3.803 3.960 0.023 0.000 0.208 322 G C 0.651 175.203 174.900 -0.580 0.000 1.159 322 G CA 0.305 45.155 45.100 -0.417 0.000 0.784 322 G HN 0.447 nan 8.290 nan 0.000 0.535 323 Y N -0.971 119.258 120.300 -0.119 0.000 2.535 323 Y HA 0.308 4.872 4.550 0.023 0.000 0.266 323 Y C 2.554 178.371 175.900 -0.140 0.000 1.088 323 Y CA -0.261 57.734 58.100 -0.175 0.000 1.285 323 Y CB 0.085 38.378 38.460 -0.278 0.000 1.166 323 Y HN 0.064 nan 8.280 nan 0.000 0.525 324 R N 0.625 121.120 120.500 -0.008 0.000 2.148 324 R HA -0.119 4.235 4.340 0.023 0.000 0.223 324 R C 2.005 178.290 176.300 -0.024 0.000 1.088 324 R CA 1.770 57.858 56.100 -0.019 0.000 0.985 324 R CB -0.211 30.073 30.300 -0.027 0.000 0.880 324 R HN 0.487 nan 8.270 nan 0.000 0.451 325 T N -0.802 113.725 114.554 -0.045 0.000 2.708 325 T HA -0.133 4.231 4.350 0.023 0.000 0.266 325 T C 1.984 176.679 174.700 -0.008 0.000 1.037 325 T CA 1.377 63.459 62.100 -0.031 0.000 1.146 325 T CB -0.432 68.409 68.868 -0.045 0.000 0.865 325 T HN 0.176 nan 8.240 nan 0.000 0.435 326 I N 2.201 122.766 120.570 -0.007 0.000 2.163 326 I HA -0.160 4.024 4.170 0.023 0.000 0.243 326 I C 3.253 179.379 176.117 0.016 0.000 1.085 326 I CA 1.316 62.625 61.300 0.016 0.000 1.347 326 I CB -0.698 37.318 38.000 0.027 0.000 1.044 326 I HN 0.363 nan 8.210 nan 0.000 0.408 327 A N 0.697 123.519 122.820 0.003 0.000 1.908 327 A HA -0.276 4.057 4.320 0.023 0.000 0.218 327 A C 2.413 180.007 177.584 0.016 0.000 1.181 327 A CA 2.048 54.086 52.037 0.002 0.000 0.627 327 A CB -0.690 18.303 19.000 -0.012 0.000 0.818 327 A HN 0.374 nan 8.150 nan 0.000 0.445 328 R N -1.099 119.409 120.500 0.013 0.000 2.096 328 R HA -0.119 4.235 4.340 0.023 0.000 0.235 328 R C 2.235 178.546 176.300 0.017 0.000 1.127 328 R CA 1.682 57.790 56.100 0.014 0.000 0.968 328 R CB -0.295 30.009 30.300 0.007 0.000 0.861 328 R HN 0.521 nan 8.270 nan 0.000 0.440 329 M N 0.660 120.277 119.600 0.029 0.000 2.159 329 M HA -0.148 4.345 4.480 0.023 0.000 0.263 329 M C 1.631 177.990 176.300 0.098 0.000 1.063 329 M CA 1.686 57.017 55.300 0.052 0.000 1.110 329 M CB -0.273 32.364 32.600 0.062 0.000 1.374 329 M HN 0.305 nan 8.290 nan 0.000 0.411 330 L N -0.174 121.104 121.223 0.093 0.000 2.291 330 L HA -0.174 4.179 4.340 0.023 0.000 0.214 330 L C 2.468 179.393 176.870 0.092 0.000 1.120 330 L CA 0.794 55.714 54.840 0.134 0.000 0.799 330 L CB -0.700 41.400 42.059 0.068 0.000 0.925 330 L HN 0.339 nan 8.230 nan 0.000 0.446 331 K N 1.278 121.696 120.400 0.030 0.000 2.032 331 K HA -0.232 4.102 4.320 0.023 0.000 0.209 331 K C 2.338 178.915 176.600 -0.039 0.000 1.048 331 K CA 1.827 58.117 56.287 0.003 0.000 0.927 331 K CB -0.040 32.461 32.500 0.002 0.000 0.712 331 K HN 0.340 nan 8.250 nan 0.000 0.441 332 R N -0.754 119.670 120.500 -0.127 0.000 2.152 332 R HA -0.123 4.231 4.340 0.023 0.000 0.232 332 R C 1.455 177.613 176.300 -0.236 0.000 1.117 332 R CA 1.501 57.476 56.100 -0.208 0.000 0.981 332 R CB -0.543 29.575 30.300 -0.303 0.000 0.870 332 R HN 0.378 nan 8.270 nan 0.000 0.451 333 H N 1.094 120.169 119.070 0.008 0.000 2.548 333 H HA 0.187 4.757 4.556 0.023 0.000 0.268 333 H C 0.287 175.618 175.328 0.004 0.000 0.975 333 H CA 0.606 56.661 56.048 0.010 0.000 1.195 333 H CB 0.098 29.864 29.762 0.008 0.000 1.397 333 H HN 0.195 nan 8.280 nan 0.000 0.572 334 R N -0.215 120.330 120.500 0.074 0.000 3.516 334 R HA -0.134 4.220 4.340 0.023 0.000 0.271 334 R C 0.027 176.345 176.300 0.030 0.000 1.098 334 R CA 0.336 56.457 56.100 0.035 0.000 0.732 334 R CB -1.911 28.400 30.300 0.018 0.000 1.152 334 R HN 0.272 nan 8.270 nan 0.000 0.455 335 A N 0.500 123.357 122.820 0.060 0.000 2.302 335 A HA 0.608 4.942 4.320 0.023 0.000 0.285 335 A C 0.450 178.025 177.584 -0.015 0.000 1.105 335 A CA -0.267 51.783 52.037 0.021 0.000 0.816 335 A CB 1.019 20.040 19.000 0.036 0.000 1.067 335 A HN 0.205 nan 8.150 nan 0.000 0.489 336 S N 0.132 115.805 115.700 -0.044 0.000 2.646 336 S HA 0.534 5.018 4.470 0.023 0.000 0.276 336 S C -0.122 174.462 174.600 -0.027 0.000 1.222 336 S CA -0.252 57.919 58.200 -0.048 0.000 1.014 336 S CB 0.715 63.879 63.200 -0.060 0.000 0.991 336 S HN 0.506 nan 8.310 nan 0.000 0.533 337 I N 2.767 123.324 120.570 -0.021 0.000 2.353 337 I HA 0.279 4.463 4.170 0.023 0.000 0.293 337 I C -0.144 175.982 176.117 0.016 0.000 0.992 337 I CA -0.488 60.801 61.300 -0.018 0.000 1.268 337 I CB 1.096 39.057 38.000 -0.066 0.000 1.387 337 I HN 0.436 nan 8.210 nan 0.000 0.478 338 N N 6.137 124.856 118.700 0.031 0.000 2.446 338 N HA 0.380 5.133 4.740 0.023 0.000 0.265 338 N C -1.049 174.533 175.510 0.120 0.000 0.975 338 N CA -0.241 52.841 53.050 0.054 0.000 0.928 338 N CB 0.948 39.434 38.487 -0.001 0.000 1.160 338 N HN 0.316 nan 8.380 nan 0.000 0.495 339 F N 1.499 121.411 119.950 -0.063 0.000 2.656 339 F HA 0.716 5.257 4.527 0.022 0.000 0.394 339 F C 0.640 176.414 175.800 -0.043 0.000 1.168 339 F CA -0.452 57.498 58.000 -0.083 0.000 1.135 339 F CB 1.411 40.328 39.000 -0.138 0.000 1.480 339 F HN 0.329 nan 8.300 nan 0.000 0.500 340 T N -1.500 112.540 114.554 -0.858 0.000 2.681 340 T HA 0.390 4.754 4.350 0.023 0.000 0.296 340 T C -0.829 173.542 174.700 -0.549 0.000 1.157 340 T CA 0.241 62.013 62.100 -0.546 0.000 1.025 340 T CB 0.452 69.063 68.868 -0.427 0.000 1.441 340 T HN 0.863 nan 8.240 nan 0.000 0.504 341 C N 0.523 119.654 119.300 -0.281 0.000 4.465 341 C HA -0.140 4.334 4.460 0.023 0.000 0.274 341 C C 2.190 177.126 174.990 -0.090 0.000 1.337 341 C CA 0.340 59.243 59.018 -0.190 0.000 1.822 341 C CB -2.751 24.863 27.740 -0.210 0.000 1.357 341 C HN 1.039 nan 8.230 nan 0.000 0.753 342 A N 0.721 123.543 122.820 0.003 0.000 2.070 342 A HA -0.114 4.220 4.320 0.023 0.000 0.220 342 A C 2.122 179.718 177.584 0.020 0.000 1.159 342 A CA 2.014 54.104 52.037 0.089 0.000 0.656 342 A CB -0.200 18.959 19.000 0.265 0.000 0.800 342 A HN 0.881 nan 8.150 nan 0.000 0.453 343 E N -0.488 119.692 120.200 -0.033 0.000 2.472 343 E HA 0.106 4.470 4.350 0.023 0.000 0.196 343 E C 0.338 176.867 176.600 -0.118 0.000 1.033 343 E CA -0.054 56.287 56.400 -0.100 0.000 0.886 343 E CB -0.287 29.324 29.700 -0.148 0.000 0.944 343 E HN 0.605 nan 8.360 nan 0.000 0.492 344 M N 1.945 121.473 119.600 -0.121 0.000 2.233 344 M HA 0.329 4.823 4.480 0.023 0.000 0.355 344 M C 0.137 176.363 176.300 -0.123 0.000 1.191 344 M CA -0.408 54.801 55.300 -0.152 0.000 1.101 344 M CB 1.294 33.761 32.600 -0.222 0.000 1.592 344 M HN -0.293 nan 8.290 nan 0.000 0.461 345 R N 1.540 121.972 120.500 -0.113 0.000 2.604 345 R HA 0.222 4.576 4.340 0.023 0.000 0.287 345 R C 0.091 176.334 176.300 -0.096 0.000 0.970 345 R CA -0.572 55.473 56.100 -0.091 0.000 0.946 345 R CB 0.978 31.240 30.300 -0.063 0.000 1.127 345 R HN 0.644 nan 8.270 nan 0.000 0.473 346 D N 0.510 120.861 120.400 -0.081 0.000 2.149 346 D HA -0.155 4.499 4.640 0.023 0.000 0.198 346 D C 1.490 177.763 176.300 -0.046 0.000 0.990 346 D CA 1.929 55.890 54.000 -0.065 0.000 0.839 346 D CB 0.037 40.809 40.800 -0.046 0.000 0.948 346 D HN 0.552 nan 8.370 nan 0.000 0.460 347 S N 0.083 115.760 115.700 -0.038 0.000 2.474 347 S HA -0.111 4.373 4.470 0.023 0.000 0.235 347 S C 1.543 176.123 174.600 -0.033 0.000 0.997 347 S CA 0.614 58.798 58.200 -0.026 0.000 0.949 347 S CB -0.281 62.910 63.200 -0.015 0.000 0.766 347 S HN 0.298 nan 8.310 nan 0.000 0.517 348 E N 0.667 120.836 120.200 -0.051 0.000 2.481 348 E HA 0.079 4.443 4.350 0.023 0.000 0.195 348 E C 0.167 176.731 176.600 -0.059 0.000 1.047 348 E CA 0.190 56.554 56.400 -0.060 0.000 0.867 348 E CB 0.147 29.796 29.700 -0.084 0.000 0.858 348 E HN 0.557 nan 8.360 nan 0.000 0.513 349 Q N 0.600 120.372 119.800 -0.046 0.000 2.214 349 Q HA 0.219 4.572 4.340 0.023 0.000 0.251 349 Q C 0.050 176.054 176.000 0.006 0.000 0.936 349 Q CA -0.447 55.349 55.803 -0.013 0.000 0.894 349 Q CB 1.472 30.219 28.738 0.015 0.000 1.252 349 Q HN 0.041 nan 8.270 nan 0.000 0.448 350 S N -0.144 115.577 115.700 0.035 0.000 2.576 350 S HA 0.138 4.622 4.470 0.023 0.000 0.276 350 S C 0.889 175.481 174.600 -0.014 0.000 1.339 350 S CA -0.265 57.943 58.200 0.013 0.000 1.039 350 S CB 0.880 64.097 63.200 0.028 0.000 0.902 350 S HN 0.487 nan 8.310 nan 0.000 0.516 351 S N 1.947 117.633 115.700 -0.023 0.000 2.370 351 S HA -0.164 4.320 4.470 0.023 0.000 0.226 351 S C 2.246 176.805 174.600 -0.069 0.000 1.033 351 S CA 1.472 59.652 58.200 -0.032 0.000 1.011 351 S CB -0.456 62.735 63.200 -0.015 0.000 0.852 351 S HN 0.928 nan 8.310 nan 0.000 0.457 352 Q N 1.166 120.919 119.800 -0.079 0.000 2.364 352 Q HA 0.124 4.477 4.340 0.023 0.000 0.207 352 Q C 1.803 177.614 176.000 -0.315 0.000 0.970 352 Q CA 1.195 56.932 55.803 -0.109 0.000 0.888 352 Q CB -0.465 28.237 28.738 -0.060 0.000 0.951 352 Q HN 0.511 nan 8.270 nan 0.000 0.469 353 A N 0.930 123.534 122.820 -0.360 0.000 2.167 353 A HA 0.112 4.446 4.320 0.023 0.000 0.214 353 A C 1.048 178.193 177.584 -0.731 0.000 1.151 353 A CA 0.387 52.038 52.037 -0.643 0.000 0.735 353 A CB -0.196 18.611 19.000 -0.323 0.000 0.802 353 A HN 0.361 nan 8.150 nan 0.000 0.467 354 M N -0.003 119.349 119.600 -0.413 0.000 2.206 354 M HA -0.138 4.356 4.480 0.023 0.000 0.197 354 M C 0.235 176.467 176.300 -0.113 0.000 0.375 354 M CA 0.932 56.090 55.300 -0.236 0.000 0.410 354 M CB -2.514 29.956 32.600 -0.216 0.000 1.204 354 M HN 0.488 nan 8.290 nan 0.000 0.932 355 S N 0.072 115.761 115.700 -0.019 0.000 2.489 355 S HA 0.802 5.286 4.470 0.023 0.000 0.291 355 S C 0.231 174.889 174.600 0.095 0.000 1.151 355 S CA 0.191 58.472 58.200 0.134 0.000 1.082 355 S CB 1.555 64.928 63.200 0.289 0.000 1.019 355 S HN 0.593 nan 8.310 nan 0.000 0.492 356 A N 6.564 129.432 122.820 0.080 0.000 3.355 356 A HA 0.502 4.836 4.320 0.023 0.000 0.290 356 A C -1.841 175.614 177.584 -0.215 0.000 0.973 356 A CA -1.045 50.953 52.037 -0.065 0.000 0.933 356 A CB 0.531 19.523 19.000 -0.014 0.000 1.138 356 A HN 0.673 nan 8.150 nan 0.000 0.490 357 P HA -0.207 nan 4.420 nan 0.000 0.216 357 P C 1.048 178.235 177.300 -0.190 0.000 1.150 357 P CA 1.342 64.340 63.100 -0.170 0.000 0.837 357 P CB 0.389 31.933 31.700 -0.260 0.000 0.786 358 E N 0.302 120.395 120.200 -0.179 0.000 2.051 358 E HA -0.197 4.167 4.350 0.023 0.000 0.192 358 E C 2.069 178.518 176.600 -0.251 0.000 0.991 358 E CA 1.261 57.557 56.400 -0.173 0.000 0.799 358 E CB -0.356 29.264 29.700 -0.133 0.000 0.748 358 E HN 0.323 nan 8.360 nan 0.000 0.449 359 E N 0.721 120.758 120.200 -0.271 0.000 2.110 359 E HA -0.181 4.183 4.350 0.023 0.000 0.193 359 E C 1.922 178.282 176.600 -0.399 0.000 0.988 359 E CA 0.525 56.754 56.400 -0.284 0.000 0.804 359 E CB -0.095 29.518 29.700 -0.145 0.000 0.745 359 E HN 0.094 nan 8.360 nan 0.000 0.458 360 L N 0.147 120.994 121.223 -0.626 0.000 2.017 360 L HA -0.145 4.209 4.340 0.023 0.000 0.208 360 L C 2.071 178.774 176.870 -0.278 0.000 1.073 360 L CA 1.432 55.963 54.840 -0.515 0.000 0.745 360 L CB -0.499 41.297 42.059 -0.438 0.000 0.894 360 L HN 0.010 nan 8.230 nan 0.000 0.432 361 V N -0.180 119.658 119.914 -0.126 0.000 2.287 361 V HA -0.370 3.763 4.120 0.023 0.000 0.248 361 V C 2.628 178.567 176.094 -0.258 0.000 1.053 361 V CA 2.237 64.517 62.300 -0.034 0.000 1.027 361 V CB -0.726 31.121 31.823 0.039 0.000 0.646 361 V HN 0.588 nan 8.190 nan 0.000 0.447 362 Q N -0.706 118.840 119.800 -0.423 0.000 2.124 362 Q HA -0.292 4.062 4.340 0.023 0.000 0.202 362 Q C 2.374 178.175 176.000 -0.331 0.000 0.977 362 Q CA 1.978 57.396 55.803 -0.642 0.000 0.850 362 Q CB -0.207 28.008 28.738 -0.872 0.000 0.901 362 Q HN 0.707 nan 8.270 nan 0.000 0.429 363 Q N 0.234 119.874 119.800 -0.265 0.000 2.050 363 Q HA -0.158 4.196 4.340 0.023 0.000 0.202 363 Q C 2.068 177.900 176.000 -0.279 0.000 0.980 363 Q CA 1.469 57.167 55.803 -0.173 0.000 0.840 363 Q CB 0.154 28.882 28.738 -0.017 0.000 0.898 363 Q HN 0.238 nan 8.270 nan 0.000 0.424 364 V N 0.778 120.380 119.914 -0.519 0.000 2.307 364 V HA -0.249 3.884 4.120 0.023 0.000 0.245 364 V C 2.295 178.059 176.094 -0.550 0.000 1.045 364 V CA 1.178 63.051 62.300 -0.712 0.000 1.024 364 V CB -0.499 30.440 31.823 -1.473 0.000 0.651 364 V HN 0.306 nan 8.190 nan 0.000 0.449 365 L N 0.187 121.082 121.223 -0.546 0.000 2.012 365 L HA -0.152 4.202 4.340 0.023 0.000 0.210 365 L C 2.635 179.039 176.870 -0.777 0.000 1.073 365 L CA 2.074 56.416 54.840 -0.831 0.000 0.748 365 L CB -1.135 40.462 42.059 -0.771 0.000 0.891 365 L HN 0.266 nan 8.230 nan 0.000 0.431 366 S N -0.654 114.910 115.700 -0.227 0.000 2.382 366 S HA -0.172 4.312 4.470 0.023 0.000 0.228 366 S C 2.165 176.811 174.600 0.077 0.000 1.027 366 S CA 1.043 59.338 58.200 0.159 0.000 0.991 366 S CB -0.478 62.770 63.200 0.081 0.000 0.823 366 S HN 0.508 nan 8.310 nan 0.000 0.469 367 A N 1.676 124.447 122.820 -0.082 0.000 1.877 367 A HA 0.054 4.388 4.320 0.023 0.000 0.216 367 A C 2.357 179.925 177.584 -0.027 0.000 1.186 367 A CA 1.776 53.785 52.037 -0.047 0.000 0.620 367 A CB -1.512 17.446 19.000 -0.071 0.000 0.822 367 A HN 0.513 nan 8.150 nan 0.000 0.443 368 G N -1.320 107.395 108.800 -0.142 0.000 2.446 368 G HA2 -0.247 3.727 3.960 0.023 0.000 0.217 368 G HA3 -0.247 3.727 3.960 0.023 0.000 0.217 368 G C 1.373 176.320 174.900 0.078 0.000 1.168 368 G CA 1.011 46.044 45.100 -0.111 0.000 0.771 368 G HN 0.575 nan 8.290 nan 0.000 0.551 369 W N 0.999 122.364 121.300 0.108 0.000 2.363 369 W HA 0.079 4.754 4.660 0.024 0.000 0.296 369 W C 2.725 179.365 176.519 0.201 0.000 1.212 369 W CA 0.604 58.037 57.345 0.146 0.000 1.260 369 W CB -0.707 28.804 29.460 0.084 0.000 1.131 369 W HN 0.231 nan 8.180 nan 0.000 0.530 370 R N 0.118 120.884 120.500 0.442 0.000 2.152 370 R HA -0.111 4.243 4.340 0.023 0.000 0.232 370 R C 1.381 177.799 176.300 0.197 0.000 1.117 370 R CA 0.955 57.248 56.100 0.323 0.000 0.981 370 R CB -0.200 30.232 30.300 0.221 0.000 0.870 370 R HN 0.062 nan 8.270 nan 0.000 0.451 371 E N -0.487 119.806 120.200 0.155 0.000 2.465 371 E HA 0.065 4.429 4.350 0.023 0.000 0.191 371 E C 0.866 177.529 176.600 0.105 0.000 1.053 371 E CA 0.428 56.889 56.400 0.101 0.000 0.869 371 E CB 0.770 30.506 29.700 0.061 0.000 0.977 371 E HN 0.484 nan 8.360 nan 0.000 0.483 372 G N 1.511 110.404 108.800 0.154 0.000 2.147 372 G HA2 -0.284 3.690 3.960 0.023 0.000 0.244 372 G HA3 -0.284 3.690 3.960 0.023 0.000 0.244 372 G C 0.250 175.220 174.900 0.116 0.000 1.005 372 G CA 0.281 45.461 45.100 0.133 0.000 0.713 372 G HN 0.217 nan 8.290 nan 0.000 0.515 373 L N -0.097 121.210 121.223 0.140 0.000 2.379 373 L HA 0.421 4.774 4.340 0.023 0.000 0.269 373 L C 0.481 177.431 176.870 0.133 0.000 1.084 373 L CA -1.238 53.654 54.840 0.085 0.000 0.802 373 L CB 0.540 42.625 42.059 0.044 0.000 1.175 373 L HN -0.021 nan 8.230 nan 0.000 0.448 374 N N 0.948 119.646 118.700 -0.005 0.000 2.513 374 N HA 0.267 5.021 4.740 0.023 0.000 0.268 374 N C -0.774 174.781 175.510 0.076 0.000 1.180 374 N CA -0.086 52.950 53.050 -0.023 0.000 0.948 374 N CB 1.550 39.733 38.487 -0.506 0.000 1.083 374 N HN 0.195 nan 8.380 nan 0.000 0.455 375 V N 0.915 120.968 119.914 0.232 0.000 2.531 375 V HA 0.749 4.883 4.120 0.023 0.000 0.301 375 V C 0.033 176.278 176.094 0.252 0.000 1.034 375 V CA -0.866 61.511 62.300 0.129 0.000 0.865 375 V CB 1.368 33.109 31.823 -0.137 0.000 0.995 375 V HN 0.790 nan 8.190 nan 0.000 0.424 376 A N 3.284 126.219 122.820 0.192 0.000 2.344 376 A HA 0.940 5.274 4.320 0.023 0.000 0.307 376 A C -0.820 176.873 177.584 0.181 0.000 1.151 376 A CA -0.484 51.687 52.037 0.223 0.000 0.842 376 A CB 1.882 20.994 19.000 0.187 0.000 1.350 376 A HN 0.831 nan 8.150 nan 0.000 0.459 377 C N -0.493 118.927 119.300 0.199 0.000 3.086 377 C HA 0.647 5.121 4.460 0.023 0.000 0.311 377 C C -0.388 174.627 174.990 0.043 0.000 1.260 377 C CA -0.470 58.659 59.018 0.185 0.000 1.426 377 C CB 1.680 29.611 27.740 0.319 0.000 1.826 377 C HN 0.976 nan 8.230 nan 0.000 0.474 378 E N 1.659 121.829 120.200 -0.049 0.000 2.249 378 E HA 0.350 4.714 4.350 0.023 0.000 0.263 378 E C -0.843 175.780 176.600 0.038 0.000 0.950 378 E CA -0.628 55.652 56.400 -0.201 0.000 0.827 378 E CB 1.088 30.670 29.700 -0.197 0.000 1.220 378 E HN 0.755 nan 8.360 nan 0.000 0.411 379 N N 0.511 119.243 118.700 0.054 0.000 2.529 379 N HA 0.104 4.858 4.740 0.023 0.000 0.278 379 N C 0.088 175.527 175.510 -0.117 0.000 1.146 379 N CA -0.020 53.040 53.050 0.016 0.000 0.980 379 N CB 1.590 40.060 38.487 -0.029 0.000 1.124 379 N HN 0.508 nan 8.380 nan 0.000 0.458 380 A N 2.620 125.366 122.820 -0.123 0.000 1.872 380 A HA 0.136 4.469 4.320 0.023 0.000 0.214 380 A C 1.025 178.534 177.584 -0.124 0.000 1.187 380 A CA 0.653 52.622 52.037 -0.114 0.000 0.614 380 A CB -0.148 18.799 19.000 -0.089 0.000 0.826 380 A HN 0.667 nan 8.150 nan 0.000 0.442 381 L N -0.891 120.236 121.223 -0.158 0.000 2.323 381 L HA 0.416 4.770 4.340 0.023 0.000 0.265 381 L C -2.701 174.027 176.870 -0.235 0.000 1.012 381 L CA -2.564 52.175 54.840 -0.168 0.000 0.820 381 L CB 1.877 43.841 42.059 -0.158 0.000 1.334 381 L HN -0.083 nan 8.230 nan 0.000 0.427 382 P HA 0.208 nan 4.420 nan 0.000 0.267 382 P C -1.166 175.899 177.300 -0.391 0.000 1.205 382 P CA -0.137 62.767 63.100 -0.327 0.000 0.765 382 P CB 0.519 32.126 31.700 -0.155 0.000 0.828 383 R N 2.768 122.905 120.500 -0.605 0.000 2.626 383 R HA 0.307 4.661 4.340 0.023 0.000 0.274 383 R C -0.580 175.287 176.300 -0.720 0.000 1.031 383 R CA -0.498 55.289 56.100 -0.522 0.000 0.898 383 R CB 1.380 31.439 30.300 -0.401 0.000 1.222 383 R HN 0.471 nan 8.270 nan 0.000 0.455 384 Y N -0.656 119.588 120.300 -0.095 0.000 2.563 384 Y HA 0.105 4.668 4.550 0.023 0.000 0.250 384 Y C 0.510 176.402 175.900 -0.013 0.000 1.126 384 Y CA -0.621 57.483 58.100 0.005 0.000 1.231 384 Y CB 0.864 39.379 38.460 0.091 0.000 1.288 384 Y HN 0.456 nan 8.280 nan 0.000 0.537 385 D N 0.059 120.421 120.400 -0.063 0.000 2.229 385 D HA 0.163 4.817 4.640 0.023 0.000 0.249 385 D C -2.263 174.027 176.300 -0.017 0.000 1.027 385 D CA -1.835 52.169 54.000 0.007 0.000 0.923 385 D CB 2.344 43.135 40.800 -0.014 0.000 1.174 385 D HN -0.091 nan 8.370 nan 0.000 0.443 386 P HA -0.136 nan 4.420 nan 0.000 0.216 386 P C 1.374 178.711 177.300 0.061 0.000 1.150 386 P CA 1.617 64.802 63.100 0.143 0.000 0.843 386 P CB 0.060 31.818 31.700 0.098 0.000 0.787 387 T N -0.564 113.993 114.554 0.004 0.000 2.684 387 T HA -0.170 4.194 4.350 0.023 0.000 0.267 387 T C 1.890 176.554 174.700 -0.060 0.000 1.036 387 T CA 1.713 63.809 62.100 -0.008 0.000 1.148 387 T CB -0.987 67.873 68.868 -0.013 0.000 0.863 387 T HN 0.060 nan 8.240 nan 0.000 0.436 388 A N 0.671 123.394 122.820 -0.163 0.000 1.883 388 A HA -0.126 4.208 4.320 0.023 0.000 0.217 388 A C 2.060 179.470 177.584 -0.289 0.000 1.186 388 A CA 1.598 53.473 52.037 -0.271 0.000 0.624 388 A CB -1.099 17.644 19.000 -0.428 0.000 0.822 388 A HN 0.549 nan 8.150 nan 0.000 0.444 389 Y N 0.623 120.797 120.300 -0.211 0.000 2.224 389 Y HA -0.165 4.400 4.550 0.024 0.000 0.289 389 Y C 2.421 178.269 175.900 -0.087 0.000 1.146 389 Y CA 1.334 59.238 58.100 -0.328 0.000 1.182 389 Y CB -0.538 37.723 38.460 -0.331 0.000 0.983 389 Y HN 0.319 nan 8.280 nan 0.000 0.524 390 N N -0.885 117.879 118.700 0.106 0.000 2.244 390 N HA -0.112 4.642 4.740 0.023 0.000 0.183 390 N C 1.754 177.304 175.510 0.067 0.000 1.016 390 N CA 1.624 54.733 53.050 0.098 0.000 0.866 390 N CB -0.601 37.942 38.487 0.094 0.000 0.980 390 N HN 0.308 nan 8.380 nan 0.000 0.430 391 T N 1.565 116.131 114.554 0.020 0.000 2.777 391 T HA 0.045 4.409 4.350 0.023 0.000 0.266 391 T C 2.112 176.819 174.700 0.012 0.000 1.040 391 T CA 0.585 62.688 62.100 0.005 0.000 1.141 391 T CB -0.110 68.736 68.868 -0.036 0.000 0.868 391 T HN 0.158 nan 8.240 nan 0.000 0.444 392 I N 0.760 121.312 120.570 -0.030 0.000 2.163 392 I HA -0.156 4.028 4.170 0.023 0.000 0.243 392 I C 2.274 178.409 176.117 0.030 0.000 1.085 392 I CA 1.208 62.475 61.300 -0.055 0.000 1.347 392 I CB -0.431 37.402 38.000 -0.278 0.000 1.044 392 I HN 0.176 nan 8.210 nan 0.000 0.408 393 L N 0.138 121.416 121.223 0.091 0.000 2.042 393 L HA -0.238 4.116 4.340 0.023 0.000 0.210 393 L C 2.814 179.707 176.870 0.039 0.000 1.076 393 L CA 1.176 56.055 54.840 0.064 0.000 0.749 393 L CB -0.619 41.484 42.059 0.072 0.000 0.893 393 L HN 0.255 nan 8.230 nan 0.000 0.432 394 R N 0.594 121.127 120.500 0.055 0.000 2.083 394 R HA -0.176 4.178 4.340 0.023 0.000 0.237 394 R C 1.885 178.220 176.300 0.058 0.000 1.137 394 R CA 1.867 57.998 56.100 0.053 0.000 0.951 394 R CB -0.672 29.673 30.300 0.074 0.000 0.851 394 R HN 0.428 nan 8.270 nan 0.000 0.434 395 N N 0.680 119.457 118.700 0.128 0.000 2.309 395 N HA -0.104 4.650 4.740 0.023 0.000 0.182 395 N C 1.565 177.172 175.510 0.162 0.000 1.018 395 N CA 1.316 54.497 53.050 0.218 0.000 0.876 395 N CB -0.248 38.385 38.487 0.243 0.000 0.972 395 N HN 0.317 nan 8.380 nan 0.000 0.434 396 A N 0.654 123.538 122.820 0.108 0.000 1.968 396 A HA 0.022 4.355 4.320 0.023 0.000 0.217 396 A C 1.046 178.662 177.584 0.054 0.000 1.169 396 A CA 0.945 53.051 52.037 0.115 0.000 0.638 396 A CB 0.108 19.145 19.000 0.061 0.000 0.812 396 A HN 0.151 nan 8.150 nan 0.000 0.446 397 R N -0.868 119.610 120.500 -0.036 0.000 2.629 397 R HA 0.224 4.578 4.340 0.023 0.000 0.275 397 R C -2.447 173.708 176.300 -0.242 0.000 1.719 397 R CA -1.538 54.491 56.100 -0.118 0.000 1.472 397 R CB 1.178 31.434 30.300 -0.072 0.000 1.237 397 R HN 0.157 nan 8.270 nan 0.000 0.589 398 P HA -0.139 nan 4.420 nan 0.000 0.222 398 P C 0.409 177.379 177.300 -0.551 0.000 1.147 398 P CA 1.224 63.837 63.100 -0.812 0.000 0.790 398 P CB 0.269 30.916 31.700 -1.755 0.000 0.780 399 H N -1.823 117.145 119.070 -0.170 0.000 2.594 399 H HA 0.385 4.955 4.556 0.023 0.000 0.279 399 H C 1.488 176.778 175.328 -0.063 0.000 1.042 399 H CA 0.571 56.565 56.048 -0.090 0.000 1.177 399 H CB -0.148 29.556 29.762 -0.096 0.000 1.524 399 H HN 0.088 nan 8.280 nan 0.000 0.537 400 G N 1.503 110.298 108.800 -0.010 0.000 2.642 400 G HA2 -0.265 3.708 3.960 0.023 0.000 0.231 400 G HA3 -0.265 3.708 3.960 0.023 0.000 0.231 400 G C -0.288 174.606 174.900 -0.011 0.000 1.338 400 G CA -0.418 44.679 45.100 -0.005 0.000 0.883 400 G HN 0.173 nan 8.290 nan 0.000 0.570 401 I N 1.715 122.279 120.570 -0.010 0.000 2.496 401 I HA 0.155 4.339 4.170 0.023 0.000 0.285 401 I C 0.598 176.706 176.117 -0.016 0.000 1.080 401 I CA -0.518 60.772 61.300 -0.016 0.000 1.404 401 I CB 0.998 38.989 38.000 -0.015 0.000 1.403 401 I HN 0.567 nan 8.210 nan 0.000 0.539 402 N N 6.223 124.908 118.700 -0.024 0.000 2.419 402 N HA 0.066 4.820 4.740 0.023 0.000 0.264 402 N C 0.754 176.249 175.510 -0.025 0.000 1.031 402 N CA -0.157 52.875 53.050 -0.030 0.000 0.951 402 N CB 1.135 39.596 38.487 -0.045 0.000 1.101 402 N HN 0.342 nan 8.380 nan 0.000 0.488 403 Q N 2.452 122.238 119.800 -0.022 0.000 2.291 403 Q HA -0.030 4.324 4.340 0.023 0.000 0.205 403 Q C 0.791 176.778 176.000 -0.021 0.000 0.970 403 Q CA 1.329 57.120 55.803 -0.019 0.000 0.876 403 Q CB -0.046 28.682 28.738 -0.017 0.000 0.935 403 Q HN 0.817 nan 8.270 nan 0.000 0.455 404 S N -0.906 114.779 115.700 -0.026 0.000 2.780 404 S HA 0.507 4.991 4.470 0.023 0.000 0.248 404 S C 0.612 175.194 174.600 -0.031 0.000 1.036 404 S CA 0.307 58.491 58.200 -0.026 0.000 1.061 404 S CB 0.870 64.055 63.200 -0.026 0.000 1.037 404 S HN 0.280 nan 8.310 nan 0.000 0.584 405 G N 0.865 109.644 108.800 -0.034 0.000 2.489 405 G HA2 0.587 4.561 3.960 0.023 0.000 0.305 405 G HA3 0.587 4.561 3.960 0.023 0.000 0.305 405 G C -3.560 171.315 174.900 -0.043 0.000 1.311 405 G CA -0.636 44.441 45.100 -0.039 0.000 0.813 405 G HN -0.030 nan 8.290 nan 0.000 0.480 406 P HA 0.283 nan 4.420 nan 0.000 0.271 406 P C -2.473 174.778 177.300 -0.082 0.000 1.218 406 P CA -0.786 62.280 63.100 -0.056 0.000 0.780 406 P CB 0.821 32.486 31.700 -0.058 0.000 0.901 407 P HA 0.100 nan 4.420 nan 0.000 0.274 407 P C 0.899 178.084 177.300 -0.191 0.000 1.256 407 P CA -0.133 62.903 63.100 -0.107 0.000 0.795 407 P CB 1.000 32.653 31.700 -0.078 0.000 1.038 408 E N -0.148 119.912 120.200 -0.233 0.000 2.106 408 E HA -0.166 4.198 4.350 0.023 0.000 0.192 408 E C -0.223 175.884 176.600 -0.822 0.000 0.984 408 E CA 1.059 57.170 56.400 -0.480 0.000 0.806 408 E CB 0.045 29.415 29.700 -0.551 0.000 0.750 408 E HN 0.572 nan 8.360 nan 0.000 0.458 409 H N -1.473 117.371 119.070 -0.376 0.000 2.930 409 H HA 0.466 5.036 4.556 0.024 0.000 0.371 409 H C -1.088 173.846 175.328 -0.657 0.000 1.169 409 H CA -0.937 54.577 56.048 -0.891 0.000 1.157 409 H CB 1.941 30.821 29.762 -1.470 0.000 1.789 409 H HN -0.138 nan 8.280 nan 0.000 0.547 410 K N 2.164 122.303 120.400 -0.434 0.000 2.568 410 K HA 0.330 4.664 4.320 0.023 0.000 0.273 410 K C -1.415 175.363 176.600 0.296 0.000 0.951 410 K CA -0.684 55.578 56.287 -0.043 0.000 0.854 410 K CB 2.002 34.492 32.500 -0.016 0.000 1.424 410 K HN 0.486 nan 8.250 nan 0.000 0.427 411 L N 3.901 125.358 121.223 0.390 0.000 2.485 411 L HA 0.093 4.447 4.340 0.023 0.000 0.275 411 L C 1.141 178.243 176.870 0.386 0.000 1.207 411 L CA -0.040 55.071 54.840 0.452 0.000 0.855 411 L CB 0.155 42.434 42.059 0.367 0.000 1.114 411 L HN 0.719 nan 8.230 nan 0.000 0.485 412 F N 1.593 121.702 119.950 0.265 0.000 2.407 412 F HA 0.168 4.709 4.527 0.023 0.000 0.299 412 F C 1.049 176.978 175.800 0.214 0.000 1.097 412 F CA 0.683 58.805 58.000 0.205 0.000 1.422 412 F CB 0.323 39.427 39.000 0.173 0.000 1.067 412 F HN 0.413 nan 8.300 nan 0.000 0.539 413 G N -1.325 107.629 108.800 0.256 0.000 2.547 413 G HA2 0.389 4.363 3.960 0.023 0.000 0.291 413 G HA3 0.389 4.363 3.960 0.023 0.000 0.291 413 G C -2.282 172.818 174.900 0.335 0.000 1.471 413 G CA -0.668 44.572 45.100 0.233 0.000 0.798 413 G HN 0.012 nan 8.290 nan 0.000 0.504 414 F N 0.856 120.944 119.950 0.230 0.000 2.556 414 F HA 0.775 5.316 4.527 0.023 0.000 0.314 414 F C -0.417 175.566 175.800 0.305 0.000 1.106 414 F CA -0.563 57.584 58.000 0.246 0.000 0.911 414 F CB 2.619 41.781 39.000 0.271 0.000 1.190 414 F HN 0.444 nan 8.300 nan 0.000 0.448 415 T N 5.848 119.944 114.554 -0.765 0.000 2.809 415 T HA 0.223 4.587 4.350 0.023 0.000 0.284 415 T C -1.525 172.751 174.700 -0.707 0.000 0.992 415 T CA -0.274 61.565 62.100 -0.436 0.000 0.957 415 T CB 0.538 69.297 68.868 -0.181 0.000 0.942 415 T HN 0.514 nan 8.240 nan 0.000 0.439 416 Y N 3.994 124.138 120.300 -0.260 0.000 2.336 416 Y HA 0.524 5.088 4.550 0.024 0.000 0.335 416 Y C -0.324 175.586 175.900 0.017 0.000 1.046 416 Y CA -0.911 57.214 58.100 0.042 0.000 1.198 416 Y CB 0.526 39.261 38.460 0.458 0.000 1.182 416 Y HN 0.579 nan 8.280 nan 0.000 0.502 417 L N 9.162 130.081 121.223 -0.506 0.000 2.257 417 L HA 0.548 4.902 4.340 0.023 0.000 0.290 417 L C -0.847 175.674 176.870 -0.582 0.000 1.044 417 L CA -0.330 54.292 54.840 -0.364 0.000 0.810 417 L CB -0.041 41.861 42.059 -0.262 0.000 1.193 417 L HN 0.893 nan 8.230 nan 0.000 0.425 418 R N 3.635 124.036 120.500 -0.165 0.000 2.734 418 R HA 0.468 4.821 4.340 0.023 0.000 0.271 418 R C -1.596 174.841 176.300 0.230 0.000 1.021 418 R CA -1.142 55.008 56.100 0.084 0.000 0.893 418 R CB 1.020 31.354 30.300 0.056 0.000 1.244 418 R HN 0.430 nan 8.270 nan 0.000 0.464 419 L N 2.028 123.367 121.223 0.193 0.000 2.525 419 L HA 0.307 4.661 4.340 0.023 0.000 0.278 419 L C -0.641 176.304 176.870 0.124 0.000 1.218 419 L CA 1.422 56.344 54.840 0.138 0.000 0.878 419 L CB 0.771 42.893 42.059 0.105 0.000 1.127 419 L HN 0.932 nan 8.230 nan 0.000 0.492 420 S N 2.500 118.264 115.700 0.106 0.000 2.643 420 S HA 0.459 4.943 4.470 0.023 0.000 0.270 420 S C 0.419 175.042 174.600 0.039 0.000 1.166 420 S CA -0.795 57.453 58.200 0.080 0.000 0.815 420 S CB 0.781 64.042 63.200 0.103 0.000 1.139 420 S HN 0.583 nan 8.310 nan 0.000 0.472 421 N N 0.826 119.534 118.700 0.014 0.000 2.223 421 N HA -0.155 4.599 4.740 0.023 0.000 0.185 421 N C 1.651 177.142 175.510 -0.032 0.000 1.016 421 N CA 1.620 54.659 53.050 -0.017 0.000 0.863 421 N CB -0.478 37.996 38.487 -0.022 0.000 0.983 421 N HN 0.803 nan 8.380 nan 0.000 0.429 422 Q N 0.547 120.327 119.800 -0.033 0.000 2.124 422 Q HA -0.125 4.228 4.340 0.023 0.000 0.202 422 Q C 2.043 177.978 176.000 -0.108 0.000 0.977 422 Q CA 0.932 56.672 55.803 -0.104 0.000 0.850 422 Q CB -0.069 28.576 28.738 -0.155 0.000 0.901 422 Q HN 0.217 nan 8.270 nan 0.000 0.429 423 L N 0.442 121.679 121.223 0.023 0.000 2.093 423 L HA -0.087 4.267 4.340 0.023 0.000 0.208 423 L C 1.754 178.670 176.870 0.077 0.000 1.085 423 L CA 1.518 56.421 54.840 0.105 0.000 0.755 423 L CB -0.096 42.022 42.059 0.098 0.000 0.904 423 L HN 0.295 nan 8.230 nan 0.000 0.435 424 V N -2.040 117.879 119.914 0.008 0.000 3.170 424 V HA 0.311 4.445 4.120 0.023 0.000 0.354 424 V C 0.071 176.055 176.094 -0.183 0.000 1.350 424 V CA -0.122 62.135 62.300 -0.071 0.000 1.244 424 V CB -1.323 30.392 31.823 -0.180 0.000 1.222 424 V HN 0.569 nan 8.190 nan 0.000 0.478 425 E N -0.668 119.514 120.200 -0.031 0.000 2.392 425 E HA 0.756 5.120 4.350 0.023 0.000 0.269 425 E C 0.481 177.120 176.600 0.064 0.000 0.924 425 E CA -0.472 55.913 56.400 -0.026 0.000 0.784 425 E CB 1.768 31.436 29.700 -0.053 0.000 1.292 425 E HN 0.609 nan 8.360 nan 0.000 0.447 426 G N 1.456 110.294 108.800 0.062 0.000 2.574 426 G HA2 -0.442 3.532 3.960 0.023 0.000 0.282 426 G HA3 -0.442 3.532 3.960 0.023 0.000 0.282 426 G C 0.728 175.690 174.900 0.103 0.000 1.257 426 G CA 0.854 45.992 45.100 0.063 0.000 0.956 426 G HN 0.666 nan 8.290 nan 0.000 0.560 427 Q N -0.026 119.815 119.800 0.068 0.000 2.124 427 Q HA -0.057 4.297 4.340 0.023 0.000 0.202 427 Q C 2.549 178.617 176.000 0.115 0.000 0.977 427 Q CA 2.532 58.381 55.803 0.077 0.000 0.850 427 Q CB -0.479 28.292 28.738 0.054 0.000 0.901 427 Q HN 0.583 nan 8.270 nan 0.000 0.429 428 N N -0.792 117.973 118.700 0.109 0.000 2.069 428 N HA -0.197 4.557 4.740 0.023 0.000 0.191 428 N C 1.388 177.049 175.510 0.252 0.000 1.031 428 N CA 1.475 54.631 53.050 0.176 0.000 0.852 428 N CB -0.625 37.884 38.487 0.036 0.000 1.018 428 N HN 0.373 nan 8.380 nan 0.000 0.423 429 Y N 1.392 121.745 120.300 0.089 0.000 2.200 429 Y HA -0.042 4.522 4.550 0.023 0.000 0.290 429 Y C 2.272 178.242 175.900 0.117 0.000 1.137 429 Y CA 1.364 59.528 58.100 0.106 0.000 1.163 429 Y CB -0.652 37.841 38.460 0.054 0.000 0.988 429 Y HN 0.079 nan 8.280 nan 0.000 0.518 430 A N 0.601 123.439 122.820 0.030 0.000 1.908 430 A HA -0.257 4.077 4.320 0.023 0.000 0.218 430 A C 2.079 179.601 177.584 -0.103 0.000 1.181 430 A CA 2.075 54.066 52.037 -0.077 0.000 0.627 430 A CB -0.827 18.180 19.000 0.012 0.000 0.818 430 A HN 0.581 nan 8.150 nan 0.000 0.445 431 N N -1.029 117.674 118.700 0.004 0.000 2.120 431 N HA -0.130 4.624 4.740 0.023 0.000 0.188 431 N C 1.425 176.801 175.510 -0.224 0.000 1.024 431 N CA 1.533 54.588 53.050 0.010 0.000 0.852 431 N CB -0.663 37.968 38.487 0.240 0.000 1.003 431 N HN 0.541 nan 8.380 nan 0.000 0.424 432 F N 2.400 122.160 119.950 -0.316 0.000 2.134 432 F HA -0.117 4.424 4.527 0.023 0.000 0.299 432 F C 2.268 177.817 175.800 -0.419 0.000 1.097 432 F CA 1.389 59.098 58.000 -0.484 0.000 1.264 432 F CB -0.091 38.760 39.000 -0.248 0.000 1.001 432 F HN -0.117 nan 8.300 nan 0.000 0.479 433 K N 0.099 120.213 120.400 -0.476 0.000 2.026 433 K HA -0.151 4.183 4.320 0.023 0.000 0.208 433 K C 1.911 178.234 176.600 -0.461 0.000 1.048 433 K CA 2.111 58.084 56.287 -0.523 0.000 0.929 433 K CB -0.781 31.404 32.500 -0.524 0.000 0.713 433 K HN 0.302 nan 8.250 nan 0.000 0.439 434 T N 1.373 115.713 114.554 -0.357 0.000 2.746 434 T HA -0.151 4.213 4.350 0.023 0.000 0.267 434 T C 1.527 176.028 174.700 -0.331 0.000 1.039 434 T CA 1.433 63.366 62.100 -0.278 0.000 1.142 434 T CB -0.465 68.296 68.868 -0.177 0.000 0.866 434 T HN 0.323 nan 8.240 nan 0.000 0.444 435 F N 2.391 121.969 119.950 -0.619 0.000 2.091 435 F HA -0.184 4.357 4.527 0.023 0.000 0.299 435 F C 2.175 177.578 175.800 -0.661 0.000 1.103 435 F CA 0.945 58.533 58.000 -0.686 0.000 1.228 435 F CB -0.854 37.455 39.000 -1.151 0.000 0.984 435 F HN -0.057 nan 8.300 nan 0.000 0.477 436 V N 0.835 120.142 119.914 -1.011 0.000 2.332 436 V HA -0.316 3.818 4.120 0.023 0.000 0.248 436 V C 2.230 177.764 176.094 -0.934 0.000 1.055 436 V CA 2.188 63.811 62.300 -1.128 0.000 1.038 436 V CB -0.861 30.392 31.823 -0.950 0.000 0.651 436 V HN 0.308 nan 8.190 nan 0.000 0.450 437 D N 0.009 120.053 120.400 -0.593 0.000 2.106 437 D HA -0.162 4.492 4.640 0.023 0.000 0.191 437 D C 2.420 178.505 176.300 -0.360 0.000 0.997 437 D CA 1.189 54.961 54.000 -0.381 0.000 0.834 437 D CB -0.313 40.337 40.800 -0.250 0.000 0.956 437 D HN 0.282 nan 8.370 nan 0.000 0.448 438 R N 0.084 120.359 120.500 -0.375 0.000 2.081 438 R HA -0.014 4.340 4.340 0.023 0.000 0.235 438 R C 2.253 178.345 176.300 -0.346 0.000 1.131 438 R CA 0.552 56.480 56.100 -0.286 0.000 0.960 438 R CB -0.634 29.541 30.300 -0.209 0.000 0.856 438 R HN 0.314 nan 8.270 nan 0.000 0.436 439 M N 0.053 119.303 119.600 -0.585 0.000 2.149 439 M HA -0.135 4.359 4.480 0.023 0.000 0.261 439 M C 1.450 177.511 176.300 -0.399 0.000 1.064 439 M CA 1.558 56.526 55.300 -0.553 0.000 1.102 439 M CB -0.951 31.139 32.600 -0.850 0.000 1.369 439 M HN 0.313 nan 8.290 nan 0.000 0.408 440 H N -0.180 118.534 119.070 -0.593 0.000 2.547 440 H HA 0.292 4.862 4.556 0.023 0.000 0.274 440 H C 0.897 176.048 175.328 -0.296 0.000 1.024 440 H CA 0.004 55.624 56.048 -0.713 0.000 1.155 440 H CB 0.066 29.403 29.762 -0.709 0.000 1.344 440 H HN 0.496 nan 8.280 nan 0.000 0.598 441 A N 1.586 124.339 122.820 -0.111 0.000 2.832 441 A HA -0.317 4.017 4.320 0.023 0.000 0.280 441 A C 0.720 178.282 177.584 -0.037 0.000 1.464 441 A CA 0.705 52.709 52.037 -0.055 0.000 0.804 441 A CB -2.051 16.946 19.000 -0.006 0.000 1.020 441 A HN 0.814 nan 8.150 nan 0.000 0.563 442 N N -3.039 115.623 118.700 -0.064 0.000 2.741 442 N HA -0.185 4.569 4.740 0.023 0.000 0.251 442 N C -0.086 175.417 175.510 -0.011 0.000 1.112 442 N CA 1.789 54.808 53.050 -0.051 0.000 0.750 442 N CB -1.592 36.865 38.487 -0.050 0.000 1.119 442 N HN 0.851 nan 8.380 nan 0.000 0.561 443 L N 0.574 121.813 121.223 0.027 0.000 2.375 443 L HA 0.567 4.921 4.340 0.023 0.000 0.268 443 L C -1.468 175.450 176.870 0.080 0.000 1.058 443 L CA -1.664 53.213 54.840 0.061 0.000 0.803 443 L CB 0.743 42.872 42.059 0.118 0.000 1.212 443 L HN -0.133 nan 8.230 nan 0.000 0.451 444 P HA 0.069 nan 4.420 nan 0.000 0.272 444 P C -0.827 176.528 177.300 0.093 0.000 1.240 444 P CA -0.628 62.514 63.100 0.070 0.000 0.791 444 P CB 0.576 32.298 31.700 0.036 0.000 0.978 445 R N 1.047 121.596 120.500 0.081 0.000 2.585 445 R HA 0.012 4.365 4.340 0.023 0.000 0.275 445 R C -0.210 176.082 176.300 -0.014 0.000 1.018 445 R CA 0.327 56.454 56.100 0.045 0.000 1.072 445 R CB -0.190 30.148 30.300 0.064 0.000 0.953 445 R HN 0.404 nan 8.270 nan 0.000 0.419 446 D N 5.904 126.235 120.400 -0.115 0.000 2.460 446 D HA 0.228 4.882 4.640 0.023 0.000 0.232 446 D C -1.815 174.375 176.300 -0.183 0.000 1.079 446 D CA -2.508 51.366 54.000 -0.209 0.000 0.864 446 D CB 1.768 42.281 40.800 -0.479 0.000 1.048 446 D HN 0.321 nan 8.370 nan 0.000 0.523 447 P HA -0.095 nan 4.420 nan 0.000 0.226 447 P C 0.534 177.661 177.300 -0.289 0.000 1.153 447 P CA 0.731 63.695 63.100 -0.226 0.000 0.777 447 P CB 0.065 31.587 31.700 -0.296 0.000 0.794 448 Y N -1.247 118.984 120.300 -0.115 0.000 2.457 448 Y HA 0.159 4.723 4.550 0.023 0.000 0.263 448 Y C 1.425 177.249 175.900 -0.127 0.000 1.164 448 Y CA -0.418 57.625 58.100 -0.096 0.000 1.274 448 Y CB -0.104 38.305 38.460 -0.084 0.000 1.097 448 Y HN -0.245 nan 8.280 nan 0.000 0.523 449 V N 1.531 121.389 119.914 -0.094 0.000 2.811 449 V HA -0.005 4.129 4.120 0.023 0.000 0.302 449 V C 0.170 176.213 176.094 -0.085 0.000 1.063 449 V CA -0.273 61.915 62.300 -0.186 0.000 1.088 449 V CB 0.404 31.940 31.823 -0.479 0.000 0.982 449 V HN 0.521 nan 8.190 nan 0.000 0.485 450 D N 3.468 123.835 120.400 -0.055 0.000 2.737 450 D HA -0.118 4.536 4.640 0.023 0.000 0.238 450 D C -2.109 174.258 176.300 0.112 0.000 1.157 450 D CA 0.568 54.590 54.000 0.037 0.000 0.694 450 D CB -0.953 39.783 40.800 -0.107 0.000 1.021 450 D HN 0.626 nan 8.370 nan 0.000 0.420 451 P HA 0.058 nan 4.420 nan 0.000 0.268 451 P C 0.258 177.634 177.300 0.127 0.000 1.205 451 P CA -0.251 62.914 63.100 0.107 0.000 0.771 451 P CB 0.752 32.505 31.700 0.089 0.000 0.858 452 M N 1.630 121.301 119.600 0.119 0.000 2.300 452 M HA 0.426 4.920 4.480 0.023 0.000 0.348 452 M C 0.423 176.770 176.300 0.077 0.000 1.151 452 M CA -0.869 54.496 55.300 0.108 0.000 1.046 452 M CB 1.631 34.299 32.600 0.112 0.000 1.647 452 M HN 0.420 nan 8.290 nan 0.000 0.451 453 A N 5.309 128.165 122.820 0.060 0.000 2.313 453 A HA 0.628 4.962 4.320 0.023 0.000 0.261 453 A C -2.313 175.299 177.584 0.047 0.000 1.090 453 A CA -1.163 50.900 52.037 0.044 0.000 0.807 453 A CB -0.682 18.337 19.000 0.032 0.000 1.055 453 A HN 0.511 nan 8.150 nan 0.000 0.492 454 P HA 0.082 nan 4.420 nan 0.000 0.262 454 P C -0.422 176.905 177.300 0.046 0.000 1.182 454 P CA -0.057 63.060 63.100 0.028 0.000 0.761 454 P CB 0.168 31.863 31.700 -0.008 0.000 0.795 455 L N 7.309 128.579 121.223 0.078 0.000 2.562 455 L HA 0.204 4.557 4.340 0.023 0.000 0.271 455 L C -2.193 174.721 176.870 0.073 0.000 1.167 455 L CA -1.257 53.636 54.840 0.090 0.000 0.917 455 L CB -0.532 41.614 42.059 0.145 0.000 1.187 455 L HN 0.293 nan 8.230 nan 0.000 0.482 456 P HA 0.242 nan 4.420 nan 0.000 0.276 456 P C -1.141 176.195 177.300 0.060 0.000 1.252 456 P CA -0.761 62.367 63.100 0.046 0.000 0.802 456 P CB 0.513 32.231 31.700 0.031 0.000 1.035 457 R N 0.987 121.518 120.500 0.051 0.000 2.590 457 R HA 0.203 4.557 4.340 0.023 0.000 0.274 457 R C -0.217 176.114 176.300 0.051 0.000 1.061 457 R CA 0.459 56.594 56.100 0.058 0.000 1.081 457 R CB -0.519 29.807 30.300 0.043 0.000 0.984 457 R HN 0.413 nan 8.270 nan 0.000 0.448 458 S N 1.783 117.527 115.700 0.073 0.000 2.558 458 S HA 0.166 4.650 4.470 0.023 0.000 0.291 458 S C 0.540 175.122 174.600 -0.030 0.000 1.306 458 S CA 0.077 58.290 58.200 0.023 0.000 1.056 458 S CB 0.700 63.942 63.200 0.070 0.000 0.836 458 S HN 0.777 nan 8.310 nan 0.000 0.504 459 G N 2.423 111.179 108.800 -0.074 0.000 2.683 459 G HA2 0.380 4.353 3.960 0.023 0.000 0.260 459 G HA3 0.380 4.353 3.960 0.023 0.000 0.260 459 G C -2.706 172.150 174.900 -0.073 0.000 1.238 459 G CA -1.274 43.789 45.100 -0.062 0.000 0.934 459 G HN 0.452 nan 8.290 nan 0.000 0.534 460 P HA 0.058 nan 4.420 nan 0.000 0.262 460 P C 0.065 177.336 177.300 -0.048 0.000 1.182 460 P CA 0.081 63.161 63.100 -0.034 0.000 0.761 460 P CB 0.478 32.167 31.700 -0.020 0.000 0.795 461 E N 3.044 123.227 120.200 -0.030 0.000 2.529 461 E HA 0.048 4.412 4.350 0.023 0.000 0.259 461 E C -0.053 176.539 176.600 -0.013 0.000 0.966 461 E CA -0.141 56.247 56.400 -0.019 0.000 0.937 461 E CB 0.045 29.750 29.700 0.010 0.000 0.923 461 E HN 0.386 nan 8.360 nan 0.000 0.468 462 I N 1.121 121.683 120.570 -0.013 0.000 2.562 462 I HA 0.425 4.609 4.170 0.023 0.000 0.301 462 I C 0.162 176.286 176.117 0.012 0.000 1.003 462 I CA -1.018 60.280 61.300 -0.003 0.000 1.127 462 I CB 1.885 39.879 38.000 -0.009 0.000 1.304 462 I HN 0.413 nan 8.210 nan 0.000 0.446 463 S N 4.153 119.863 115.700 0.016 0.000 2.600 463 S HA 0.171 4.655 4.470 0.023 0.000 0.265 463 S C 0.918 175.533 174.600 0.026 0.000 1.325 463 S CA -0.475 57.740 58.200 0.025 0.000 1.002 463 S CB 1.317 64.534 63.200 0.028 0.000 0.921 463 S HN 0.768 nan 8.310 nan 0.000 0.554 464 I N 1.290 121.879 120.570 0.032 0.000 2.264 464 I HA -0.109 4.075 4.170 0.023 0.000 0.248 464 I C 2.147 178.282 176.117 0.029 0.000 1.111 464 I CA 1.657 62.975 61.300 0.031 0.000 1.382 464 I CB -0.765 37.255 38.000 0.035 0.000 1.060 464 I HN 0.822 nan 8.210 nan 0.000 0.418 465 E N -0.229 119.992 120.200 0.034 0.000 2.077 465 E HA -0.236 4.128 4.350 0.023 0.000 0.193 465 E C 2.194 178.806 176.600 0.021 0.000 0.989 465 E CA 1.803 58.222 56.400 0.032 0.000 0.800 465 E CB -0.368 29.354 29.700 0.037 0.000 0.746 465 E HN 0.483 nan 8.360 nan 0.000 0.452 466 M N -0.216 119.395 119.600 0.018 0.000 2.117 466 M HA -0.120 4.374 4.480 0.023 0.000 0.262 466 M C 2.154 178.458 176.300 0.008 0.000 1.065 466 M CA 1.323 56.630 55.300 0.012 0.000 1.114 466 M CB -0.280 32.326 32.600 0.010 0.000 1.361 466 M HN 0.087 nan 8.290 nan 0.000 0.408 467 I N 0.222 120.798 120.570 0.010 0.000 2.264 467 I HA -0.289 3.894 4.170 0.023 0.000 0.248 467 I C 2.067 178.183 176.117 -0.001 0.000 1.111 467 I CA 1.212 62.515 61.300 0.006 0.000 1.382 467 I CB -0.322 37.685 38.000 0.012 0.000 1.060 467 I HN 0.288 nan 8.210 nan 0.000 0.418 468 L N 0.163 121.387 121.223 0.001 0.000 2.465 468 L HA -0.128 4.226 4.340 0.023 0.000 0.224 468 L C 2.419 179.278 176.870 -0.018 0.000 1.145 468 L CA 0.440 55.274 54.840 -0.010 0.000 0.834 468 L CB -0.548 41.513 42.059 0.002 0.000 0.944 468 L HN 0.355 nan 8.230 nan 0.000 0.451 469 Q N 0.265 120.060 119.800 -0.009 0.000 2.248 469 Q HA -0.207 4.147 4.340 0.023 0.000 0.208 469 Q C 2.316 178.304 176.000 -0.021 0.000 0.984 469 Q CA 1.672 57.468 55.803 -0.011 0.000 0.875 469 Q CB -0.166 28.571 28.738 -0.003 0.000 0.910 469 Q HN 0.569 nan 8.270 nan 0.000 0.433 470 A N 0.558 123.365 122.820 -0.022 0.000 2.168 470 A HA 0.101 4.435 4.320 0.023 0.000 0.215 470 A C 2.205 179.758 177.584 -0.052 0.000 1.152 470 A CA 1.109 53.129 52.037 -0.028 0.000 0.716 470 A CB -0.257 18.731 19.000 -0.019 0.000 0.794 470 A HN 0.342 nan 8.150 nan 0.000 0.465 471 A N -1.311 121.467 122.820 -0.070 0.000 1.968 471 A HA 0.106 4.440 4.320 0.023 0.000 0.217 471 A C 1.032 178.546 177.584 -0.116 0.000 1.169 471 A CA 0.847 52.817 52.037 -0.112 0.000 0.638 471 A CB -0.015 18.899 19.000 -0.143 0.000 0.812 471 A HN 0.601 nan 8.150 nan 0.000 0.446 472 Q N -0.741 119.007 119.800 -0.087 0.000 2.377 472 Q HA 0.402 4.756 4.340 0.023 0.000 0.279 472 Q C -2.913 173.055 176.000 -0.054 0.000 1.049 472 Q CA -2.106 53.647 55.803 -0.084 0.000 0.825 472 Q CB 2.000 30.685 28.738 -0.089 0.000 1.401 472 Q HN 0.139 nan 8.270 nan 0.000 0.404 473 P HA 0.036 nan 4.420 nan 0.000 0.269 473 P C -0.831 176.428 177.300 -0.069 0.000 1.209 473 P CA -0.329 62.736 63.100 -0.059 0.000 0.776 473 P CB 0.597 32.273 31.700 -0.040 0.000 0.876 474 K N 2.617 122.964 120.400 -0.088 0.000 2.368 474 K HA 0.226 4.560 4.320 0.023 0.000 0.282 474 K C -0.634 175.929 176.600 -0.063 0.000 1.035 474 K CA 0.219 56.455 56.287 -0.086 0.000 0.973 474 K CB -0.348 32.085 32.500 -0.111 0.000 0.957 474 K HN 0.384 nan 8.250 nan 0.000 0.474 475 L N 4.184 125.368 121.223 -0.066 0.000 2.344 475 L HA 0.344 4.698 4.340 0.023 0.000 0.272 475 L C 0.420 177.243 176.870 -0.078 0.000 1.035 475 L CA -1.156 53.640 54.840 -0.072 0.000 0.807 475 L CB 1.700 43.702 42.059 -0.095 0.000 1.237 475 L HN 0.679 nan 8.230 nan 0.000 0.442 476 Q N 2.529 122.288 119.800 -0.068 0.000 2.421 476 Q HA 0.174 4.528 4.340 0.023 0.000 0.255 476 Q C -2.099 173.829 176.000 -0.120 0.000 1.013 476 Q CA -1.472 54.298 55.803 -0.054 0.000 0.895 476 Q CB 0.157 28.884 28.738 -0.018 0.000 1.271 476 Q HN 0.346 nan 8.270 nan 0.000 0.460 477 P HA 0.010 nan 4.420 nan 0.000 0.272 477 P C -0.836 176.453 177.300 -0.019 0.000 1.240 477 P CA -0.126 62.921 63.100 -0.089 0.000 0.791 477 P CB 0.442 32.115 31.700 -0.044 0.000 0.978 478 F N 1.069 121.175 119.950 0.261 0.000 2.545 478 F HA 0.130 4.671 4.527 0.023 0.000 0.348 478 F C -1.181 174.904 175.800 0.475 0.000 1.163 478 F CA -1.338 56.881 58.000 0.365 0.000 1.331 478 F CB -1.126 38.130 39.000 0.426 0.000 1.138 478 F HN 0.214 nan 8.300 nan 0.000 0.602 479 P HA 0.109 nan 4.420 nan 0.000 0.276 479 P C -0.984 176.697 177.300 0.635 0.000 1.235 479 P CA 0.124 63.531 63.100 0.511 0.000 0.772 479 P CB 0.323 32.229 31.700 0.343 0.000 0.871 480 F N 1.172 121.242 119.950 0.199 0.000 2.469 480 F HA 0.315 4.857 4.527 0.024 0.000 0.332 480 F C 1.257 177.114 175.800 0.094 0.000 1.103 480 F CA -0.650 57.423 58.000 0.122 0.000 0.979 480 F CB 1.380 40.424 39.000 0.073 0.000 1.137 480 F HN 0.248 nan 8.300 nan 0.000 0.463 481 Q N 0.715 120.625 119.800 0.183 0.000 2.395 481 Q HA 0.010 4.364 4.340 0.023 0.000 0.271 481 Q C 1.314 177.373 176.000 0.098 0.000 1.026 481 Q CA 0.248 56.129 55.803 0.129 0.000 0.900 481 Q CB 1.057 29.849 28.738 0.089 0.000 1.266 481 Q HN 0.728 nan 8.270 nan 0.000 0.430 482 E N 2.262 122.487 120.200 0.042 0.000 2.106 482 E HA -0.114 4.250 4.350 0.023 0.000 0.192 482 E C -0.078 176.306 176.600 -0.360 0.000 0.984 482 E CA 1.313 57.635 56.400 -0.131 0.000 0.806 482 E CB 0.233 29.869 29.700 -0.107 0.000 0.750 482 E HN 0.544 nan 8.360 nan 0.000 0.458 483 H N -1.372 117.735 119.070 0.062 0.000 2.768 483 H HA 0.342 4.912 4.556 0.023 0.000 0.371 483 H C -0.274 175.077 175.328 0.039 0.000 1.151 483 H CA -0.201 55.875 56.048 0.046 0.000 1.165 483 H CB 1.443 31.225 29.762 0.034 0.000 1.722 483 H HN 0.176 nan 8.280 nan 0.000 0.543 484 T N 0.849 115.495 114.554 0.153 0.000 2.937 484 T HA -0.076 4.288 4.350 0.023 0.000 0.316 484 T C 1.002 175.748 174.700 0.077 0.000 1.079 484 T CA -0.123 62.029 62.100 0.087 0.000 1.131 484 T CB 0.153 69.060 68.868 0.064 0.000 1.000 484 T HN 0.685 nan 8.240 nan 0.000 0.549 485 D N 3.102 123.528 120.400 0.044 0.000 2.340 485 D HA 0.030 4.683 4.640 0.023 0.000 0.220 485 D C 0.479 176.785 176.300 0.009 0.000 1.039 485 D CA 0.081 54.097 54.000 0.028 0.000 0.866 485 D CB -0.043 40.771 40.800 0.022 0.000 0.913 485 D HN 0.313 nan 8.370 nan 0.000 0.523 486 L N 1.177 122.403 121.223 0.005 0.000 2.625 486 L HA 0.345 4.699 4.340 0.023 0.000 0.255 486 L C -2.623 174.241 176.870 -0.010 0.000 1.493 486 L CA -1.774 53.058 54.840 -0.014 0.000 0.796 486 L CB 1.288 43.326 42.059 -0.034 0.000 1.064 486 L HN -0.234 nan 8.230 nan 0.000 0.516 487 P HA 0.075 nan 4.420 nan 0.000 0.272 487 P C 1.354 178.655 177.300 0.002 0.000 1.240 487 P CA -0.026 63.086 63.100 0.019 0.000 0.791 487 P CB 1.083 32.795 31.700 0.020 0.000 0.978 488 V N -1.643 118.283 119.914 0.021 0.000 2.407 488 V HA 0.099 4.232 4.120 0.023 0.000 0.248 488 V C 1.125 177.212 176.094 -0.011 0.000 1.055 488 V CA 1.509 63.809 62.300 -0.001 0.000 1.049 488 V CB -2.106 29.733 31.823 0.026 0.000 0.662 488 V HN 1.021 nan 8.190 nan 0.000 0.455 489 G N 0.000 108.801 108.800 0.002 0.000 5.446 489 G HA2 0.000 3.974 3.960 0.023 0.000 0.244 489 G HA3 0.000 3.974 3.960 0.023 0.000 0.244 489 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 489 G HN 0.000 nan 8.290 nan 0.000 0.925