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 1sn7_1_A DATA FIRST_RESID 4 DATA SEQUENCE TAYTPLDVAQ AYQFPEGLDG QGQCIAIIEL GGGYDEASLA QYFASLGVPA DATA SEQUENCE PQVVSVSVDG ASNQPTGDPS GPDGEVELDI EVAGALAPGA KFAVYFAPNT DATA SEQUENCE DAGFLDAITT AIHDPTLKPS VVSISWGGPE DSWTSAAIAA MNRAFLDAAA DATA SEQUENCE LGVTVLAAAG DSGSTDGEQD GLYHVDFPAA SPYVLACGGT RLVASGGRIA DATA SEQUENCE QETVWNDGPD GGATGGGVSR IFPLPAWQEH ANVPPSANPG ASSGRGVPDL DATA SEQUENCE AGNADPATGY EVVIDGEATV IGGTSAVAPL FAALVARINQ KLGKAVGYLN DATA SEQUENCE PTLYQLPADV FHDITEGNND IANRAQIYQA GPGWDPCTGL GSPIGVRLLQ DATA SEQUENCE ALLPS 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 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.501 174.700 -0.332 0.000 1.109 4 T CA 0.000 61.924 62.100 -0.294 0.000 1.349 4 T CB 0.000 68.649 68.868 -0.365 0.000 0.612 5 A N 1.505 124.042 122.820 -0.472 0.000 2.604 5 A HA 0.855 5.170 4.320 -0.009 0.000 0.295 5 A C -2.418 174.828 177.584 -0.562 0.000 1.067 5 A CA -0.599 51.205 52.037 -0.389 0.000 0.683 5 A CB 1.266 20.148 19.000 -0.198 0.000 1.281 5 A HN 0.654 nan 8.150 nan 0.000 0.407 6 Y N -0.338 119.850 120.300 -0.187 0.000 2.581 6 Y HA 0.637 5.182 4.550 -0.008 0.000 0.345 6 Y C 1.012 176.849 175.900 -0.106 0.000 1.036 6 Y CA -0.084 57.906 58.100 -0.183 0.000 1.042 6 Y CB 2.087 40.371 38.460 -0.294 0.000 1.289 6 Y HN 0.877 nan 8.280 nan 0.000 0.471 7 T N -1.800 112.820 114.554 0.110 0.000 2.849 7 T HA 0.240 4.585 4.350 -0.009 0.000 0.284 7 T C -2.160 172.621 174.700 0.136 0.000 1.004 7 T CA -1.846 60.320 62.100 0.109 0.000 1.021 7 T CB 1.313 70.209 68.868 0.045 0.000 1.013 7 T HN 0.319 nan 8.240 nan 0.000 0.527 8 P HA -0.026 nan 4.420 nan 0.000 0.217 8 P C 1.566 178.875 177.300 0.015 0.000 1.148 8 P CA 0.902 64.117 63.100 0.192 0.000 0.828 8 P CB -0.137 31.674 31.700 0.185 0.000 0.783 9 L N -0.776 120.448 121.223 0.002 0.000 2.093 9 L HA -0.151 4.183 4.340 -0.009 0.000 0.208 9 L C 2.040 178.836 176.870 -0.124 0.000 1.085 9 L CA 1.373 56.178 54.840 -0.058 0.000 0.755 9 L CB -1.035 41.012 42.059 -0.020 0.000 0.904 9 L HN -0.050 nan 8.230 nan 0.000 0.435 10 D N -0.030 120.310 120.400 -0.100 0.000 2.133 10 D HA -0.171 4.464 4.640 -0.009 0.000 0.195 10 D C 2.310 178.391 176.300 -0.366 0.000 0.997 10 D CA 1.296 55.201 54.000 -0.158 0.000 0.840 10 D CB -0.194 40.592 40.800 -0.022 0.000 0.947 10 D HN 0.141 nan 8.370 nan 0.000 0.452 11 V N 1.264 120.930 119.914 -0.414 0.000 2.453 11 V HA -0.154 3.960 4.120 -0.009 0.000 0.247 11 V C 2.513 178.205 176.094 -0.671 0.000 1.048 11 V CA 1.523 63.434 62.300 -0.648 0.000 1.049 11 V CB -0.656 30.877 31.823 -0.483 0.000 0.672 11 V HN 0.170 nan 8.190 nan 0.000 0.457 12 A N -0.748 121.714 122.820 -0.597 0.000 1.933 12 A HA -0.223 4.091 4.320 -0.009 0.000 0.218 12 A C 2.195 179.492 177.584 -0.478 0.000 1.175 12 A CA 1.441 52.883 52.037 -0.992 0.000 0.628 12 A CB -0.369 17.986 19.000 -1.075 0.000 0.814 12 A HN 0.540 nan 8.150 nan 0.000 0.444 13 Q N -0.512 119.113 119.800 -0.291 0.000 2.079 13 Q HA -0.132 4.203 4.340 -0.009 0.000 0.200 13 Q C 2.476 178.384 176.000 -0.152 0.000 0.974 13 Q CA 1.473 57.187 55.803 -0.148 0.000 0.840 13 Q CB -0.657 28.011 28.738 -0.116 0.000 0.898 13 Q HN 0.661 nan 8.270 nan 0.000 0.430 14 A N 0.571 123.216 122.820 -0.292 0.000 1.917 14 A HA -0.193 4.122 4.320 -0.009 0.000 0.219 14 A C 1.335 178.872 177.584 -0.079 0.000 1.182 14 A CA 1.384 53.249 52.037 -0.287 0.000 0.633 14 A CB -0.708 17.965 19.000 -0.546 0.000 0.819 14 A HN 0.333 nan 8.150 nan 0.000 0.448 15 Y N -0.231 120.019 120.300 -0.082 0.000 2.462 15 Y HA 0.234 4.776 4.550 -0.014 0.000 0.293 15 Y C 0.650 176.646 175.900 0.159 0.000 1.195 15 Y CA -0.137 57.995 58.100 0.053 0.000 1.276 15 Y CB -1.162 37.402 38.460 0.174 0.000 1.082 15 Y HN 0.522 nan 8.280 nan 0.000 0.514 16 Q N -0.437 119.492 119.800 0.215 0.000 2.439 16 Q HA -0.231 4.104 4.340 -0.009 0.000 0.325 16 Q C -0.774 175.406 176.000 0.299 0.000 1.372 16 Q CA 0.043 55.957 55.803 0.184 0.000 0.909 16 Q CB -1.648 27.154 28.738 0.106 0.000 1.167 16 Q HN 0.185 nan 8.270 nan 0.000 0.418 17 F N 1.516 121.499 119.950 0.056 0.000 2.602 17 F HA 0.080 4.591 4.527 -0.027 0.000 0.367 17 F C -1.262 174.549 175.800 0.018 0.000 1.126 17 F CA -1.779 56.249 58.000 0.047 0.000 1.321 17 F CB -0.095 38.948 39.000 0.072 0.000 1.094 17 F HN 0.104 nan 8.300 nan 0.000 0.594 18 P HA 0.042 nan 4.420 nan 0.000 0.271 18 P C -0.520 176.818 177.300 0.063 0.000 1.226 18 P CA -0.084 63.038 63.100 0.037 0.000 0.765 18 P CB 0.741 32.422 31.700 -0.032 0.000 0.835 19 E N 1.540 121.772 120.200 0.052 0.000 2.314 19 E HA 0.335 4.680 4.350 -0.009 0.000 0.262 19 E C 1.321 177.939 176.600 0.030 0.000 1.093 19 E CA -0.373 56.057 56.400 0.050 0.000 0.908 19 E CB 0.324 30.048 29.700 0.040 0.000 1.091 19 E HN 0.721 nan 8.360 nan 0.000 0.425 20 G N 0.445 109.262 108.800 0.028 0.000 2.184 20 G HA2 -0.288 3.667 3.960 -0.009 0.000 0.264 20 G HA3 -0.288 3.667 3.960 -0.009 0.000 0.264 20 G C 0.037 174.946 174.900 0.015 0.000 0.975 20 G CA 0.552 45.662 45.100 0.017 0.000 0.642 20 G HN 0.297 nan 8.290 nan 0.000 0.536 21 L N 0.689 121.926 121.223 0.023 0.000 2.385 21 L HA 0.613 4.947 4.340 -0.009 0.000 0.273 21 L C -0.011 176.879 176.870 0.033 0.000 0.990 21 L CA -0.431 54.419 54.840 0.016 0.000 0.821 21 L CB 2.005 44.063 42.059 -0.001 0.000 1.279 21 L HN 0.183 nan 8.230 nan 0.000 0.412 22 D N 0.332 120.748 120.400 0.026 0.000 2.540 22 D HA 0.192 4.827 4.640 -0.009 0.000 0.229 22 D C 1.062 177.381 176.300 0.032 0.000 1.250 22 D CA 0.349 54.374 54.000 0.041 0.000 0.817 22 D CB 1.057 41.876 40.800 0.032 0.000 1.060 22 D HN 0.682 nan 8.370 nan 0.000 0.508 23 G N 0.405 109.209 108.800 0.007 0.000 2.176 23 G HA2 -0.316 3.639 3.960 -0.009 0.000 0.253 23 G HA3 -0.316 3.639 3.960 -0.009 0.000 0.253 23 G C 0.173 175.048 174.900 -0.042 0.000 0.979 23 G CA -0.035 45.053 45.100 -0.020 0.000 0.641 23 G HN 0.436 nan 8.290 nan 0.000 0.530 24 Q N 0.223 120.007 119.800 -0.027 0.000 2.304 24 Q HA 0.330 4.665 4.340 -0.009 0.000 0.315 24 Q C 1.584 177.561 176.000 -0.039 0.000 1.075 24 Q CA 2.225 58.009 55.803 -0.032 0.000 0.988 24 Q CB 0.203 28.930 28.738 -0.018 0.000 1.146 24 Q HN 1.672 nan 8.270 nan 0.000 0.383 25 G N 2.978 111.752 108.800 -0.045 0.000 2.195 25 G HA2 -0.191 3.764 3.960 -0.009 0.000 0.246 25 G HA3 -0.191 3.764 3.960 -0.009 0.000 0.246 25 G C -0.030 174.837 174.900 -0.054 0.000 0.984 25 G CA 0.071 45.147 45.100 -0.041 0.000 0.633 25 G HN 0.543 nan 8.290 nan 0.000 0.525 26 Q N -0.365 119.388 119.800 -0.078 0.000 2.257 26 Q HA 0.631 4.966 4.340 -0.009 0.000 0.262 26 Q C -0.314 175.595 176.000 -0.152 0.000 0.997 26 Q CA -0.469 55.275 55.803 -0.097 0.000 0.873 26 Q CB 2.115 30.796 28.738 -0.094 0.000 1.312 26 Q HN 0.553 nan 8.270 nan 0.000 0.450 27 C N 3.399 122.616 119.300 -0.139 0.000 2.340 27 C HA 0.649 5.104 4.460 -0.009 0.000 0.323 27 C C -0.514 174.379 174.990 -0.162 0.000 1.260 27 C CA -0.532 58.381 59.018 -0.175 0.000 1.464 27 C CB -0.523 27.169 27.740 -0.081 0.000 2.156 27 C HN 0.758 nan 8.230 nan 0.000 0.476 28 I N 6.122 126.522 120.570 -0.283 0.000 2.330 28 I HA 0.443 4.608 4.170 -0.009 0.000 0.289 28 I C 0.760 176.895 176.117 0.029 0.000 1.001 28 I CA -0.029 61.188 61.300 -0.138 0.000 1.193 28 I CB 1.372 39.267 38.000 -0.174 0.000 1.345 28 I HN 0.827 nan 8.210 nan 0.000 0.461 29 A N 8.197 131.089 122.820 0.120 0.000 2.331 29 A HA 0.748 5.063 4.320 -0.009 0.000 0.283 29 A C -0.357 177.369 177.584 0.236 0.000 1.142 29 A CA -0.271 51.921 52.037 0.258 0.000 0.812 29 A CB 0.301 19.436 19.000 0.225 0.000 1.074 29 A HN 0.699 nan 8.150 nan 0.000 0.497 30 I N 3.642 124.374 120.570 0.270 0.000 2.418 30 I HA 0.255 4.420 4.170 -0.009 0.000 0.287 30 I C -0.730 175.497 176.117 0.183 0.000 1.008 30 I CA -0.719 60.700 61.300 0.198 0.000 1.104 30 I CB 1.605 39.699 38.000 0.157 0.000 1.264 30 I HN 0.388 nan 8.210 nan 0.000 0.438 31 I N 5.761 126.438 120.570 0.179 0.000 2.416 31 I HA 0.289 4.454 4.170 -0.009 0.000 0.288 31 I C 0.284 176.409 176.117 0.012 0.000 1.051 31 I CA -0.110 61.264 61.300 0.122 0.000 1.375 31 I CB 0.454 38.574 38.000 0.201 0.000 1.407 31 I HN 0.525 nan 8.210 nan 0.000 0.516 32 E N 6.552 126.631 120.200 -0.202 0.000 2.266 32 E HA 0.419 4.764 4.350 -0.009 0.000 0.268 32 E C -0.143 176.125 176.600 -0.554 0.000 0.879 32 E CA -0.563 55.671 56.400 -0.277 0.000 0.762 32 E CB 2.754 32.263 29.700 -0.319 0.000 1.199 32 E HN 0.446 nan 8.360 nan 0.000 0.422 33 L N 0.933 121.439 121.223 -1.195 0.000 2.965 33 L HA 0.467 4.802 4.340 -0.009 0.000 0.254 33 L C 0.616 177.134 176.870 -0.585 0.000 1.220 33 L CA -0.199 53.991 54.840 -1.083 0.000 1.023 33 L CB 0.513 41.522 42.059 -1.751 0.000 1.355 33 L HN 0.599 nan 8.230 nan 0.000 0.545 34 G N -1.834 106.883 108.800 -0.140 0.000 2.320 34 G HA2 0.433 4.388 3.960 -0.009 0.000 0.296 34 G HA3 0.433 4.388 3.960 -0.009 0.000 0.296 34 G C -0.227 174.854 174.900 0.303 0.000 1.306 34 G CA -0.011 45.157 45.100 0.113 0.000 0.836 34 G HN 0.238 nan 8.290 nan 0.000 0.517 35 G N -1.272 107.648 108.800 0.199 0.000 2.575 35 G HA2 0.497 4.452 3.960 -0.009 0.000 0.267 35 G HA3 0.497 4.452 3.960 -0.009 0.000 0.267 35 G C 0.790 175.750 174.900 0.099 0.000 1.264 35 G CA 1.153 46.354 45.100 0.168 0.000 0.935 35 G HN 2.659 nan 8.290 nan 0.000 0.568 36 G N -2.724 106.153 108.800 0.128 0.000 2.554 36 G HA2 0.884 4.838 3.960 -0.009 0.000 0.306 36 G HA3 0.884 4.838 3.960 -0.009 0.000 0.306 36 G C -1.083 173.924 174.900 0.178 0.000 1.320 36 G CA 0.296 45.411 45.100 0.026 0.000 0.800 36 G HN 2.148 nan 8.290 nan 0.000 0.481 37 Y N -1.273 119.085 120.300 0.096 0.000 2.609 37 Y HA 0.820 5.366 4.550 -0.007 0.000 0.342 37 Y C -1.287 174.632 175.900 0.032 0.000 1.058 37 Y CA -1.569 56.574 58.100 0.072 0.000 1.055 37 Y CB 2.079 40.603 38.460 0.106 0.000 1.292 37 Y HN 0.442 nan 8.280 nan 0.000 0.476 38 D N 1.286 121.806 120.400 0.199 0.000 2.308 38 D HA 0.141 4.776 4.640 -0.009 0.000 0.242 38 D C -1.157 175.300 176.300 0.262 0.000 1.059 38 D CA -0.518 53.559 54.000 0.129 0.000 0.830 38 D CB 1.800 42.631 40.800 0.052 0.000 1.161 38 D HN 0.809 nan 8.370 nan 0.000 0.494 39 E N 1.794 122.160 120.200 0.277 0.000 1.774 39 E HA 0.405 4.749 4.350 -0.009 0.000 0.265 39 E C -0.814 175.878 176.600 0.155 0.000 1.207 39 E CA -0.053 56.508 56.400 0.267 0.000 1.054 39 E CB -0.096 29.760 29.700 0.260 0.000 1.074 39 E HN 0.476 nan 8.360 nan 0.000 0.433 40 A N 1.230 124.132 122.820 0.137 0.000 0.000 40 A HA 0.278 4.592 4.320 -0.009 0.000 0.000 40 A C 0.601 178.234 177.584 0.081 0.000 0.000 40 A CA -0.154 nan 52.037 nan 0.000 0.000 40 A CB 0.028 19.071 19.000 0.072 0.000 0.000 40 A HN 0.360 nan 8.150 nan 0.000 0.000 41 S N -0.503 115.238 115.700 0.069 0.000 2.489 41 S HA 0.039 4.503 4.470 -0.009 0.000 0.228 41 S C 1.600 176.217 174.600 0.029 0.000 0.995 41 S CA 1.327 59.553 58.200 0.043 0.000 0.934 41 S CB -0.528 62.685 63.200 0.023 0.000 0.771 41 S HN 0.570 nan 8.310 nan 0.000 0.522 42 L N 1.232 122.485 121.223 0.049 0.000 2.044 42 L HA 0.023 4.358 4.340 -0.009 0.000 0.205 42 L C 3.143 180.063 176.870 0.084 0.000 1.075 42 L CA 1.179 56.011 54.840 -0.013 0.000 0.747 42 L CB -0.819 41.289 42.059 0.081 0.000 0.903 42 L HN 0.431 nan 8.230 nan 0.000 0.435 43 A N -0.506 122.435 122.820 0.201 0.000 1.908 43 A HA -0.283 4.032 4.320 -0.009 0.000 0.218 43 A C 2.263 179.951 177.584 0.174 0.000 1.181 43 A CA 1.856 54.047 52.037 0.257 0.000 0.627 43 A CB -0.685 18.418 19.000 0.172 0.000 0.818 43 A HN 0.504 nan 8.150 nan 0.000 0.445 44 Q N -1.006 118.855 119.800 0.102 0.000 2.029 44 Q HA -0.286 4.049 4.340 -0.009 0.000 0.209 44 Q C 2.010 178.034 176.000 0.039 0.000 0.999 44 Q CA 2.619 58.459 55.803 0.062 0.000 0.857 44 Q CB -0.627 28.143 28.738 0.052 0.000 0.926 44 Q HN 0.744 nan 8.270 nan 0.000 0.415 45 Y N 0.376 120.594 120.300 -0.137 0.000 2.165 45 Y HA -0.247 4.297 4.550 -0.009 0.000 0.286 45 Y C 1.915 177.696 175.900 -0.198 0.000 1.155 45 Y CA 2.134 60.097 58.100 -0.228 0.000 1.164 45 Y CB -0.628 37.591 38.460 -0.402 0.000 0.978 45 Y HN 0.110 nan 8.280 nan 0.000 0.513 46 F N 0.099 120.018 119.950 -0.051 0.000 2.186 46 F HA -0.062 4.456 4.527 -0.015 0.000 0.299 46 F C 2.635 178.354 175.800 -0.135 0.000 1.090 46 F CA 1.010 58.926 58.000 -0.138 0.000 1.307 46 F CB -1.372 37.624 39.000 -0.007 0.000 1.019 46 F HN 0.163 nan 8.300 nan 0.000 0.489 47 A N 0.216 123.092 122.820 0.093 0.000 1.873 47 A HA -0.287 4.027 4.320 -0.009 0.000 0.218 47 A C 2.448 180.010 177.584 -0.037 0.000 1.193 47 A CA 2.595 54.651 52.037 0.032 0.000 0.629 47 A CB -1.444 17.577 19.000 0.035 0.000 0.826 47 A HN 0.409 nan 8.150 nan 0.000 0.447 48 S N -0.393 115.250 115.700 -0.095 0.000 2.419 48 S HA -0.083 4.382 4.470 -0.009 0.000 0.235 48 S C 1.691 176.193 174.600 -0.164 0.000 1.019 48 S CA 1.560 59.684 58.200 -0.127 0.000 0.982 48 S CB -0.544 62.564 63.200 -0.154 0.000 0.789 48 S HN 0.459 nan 8.310 nan 0.000 0.490 49 L N 0.621 121.710 121.223 -0.224 0.000 2.558 49 L HA 0.263 4.598 4.340 -0.009 0.000 0.225 49 L C 1.778 178.604 176.870 -0.073 0.000 1.128 49 L CA 0.411 55.142 54.840 -0.181 0.000 0.868 49 L CB -0.720 41.196 42.059 -0.238 0.000 1.006 49 L HN 0.641 nan 8.230 nan 0.000 0.454 50 G N 1.255 110.028 108.800 -0.045 0.000 2.160 50 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.244 50 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.244 50 G C 0.051 174.953 174.900 0.004 0.000 1.022 50 G CA 0.332 45.423 45.100 -0.015 0.000 0.741 50 G HN 0.295 nan 8.290 nan 0.000 0.508 51 V N -3.505 116.423 119.914 0.024 0.000 2.914 51 V HA 0.965 5.080 4.120 -0.009 0.000 0.314 51 V C -2.320 173.788 176.094 0.022 0.000 1.084 51 V CA -2.786 59.530 62.300 0.027 0.000 0.963 51 V CB 2.141 33.988 31.823 0.039 0.000 1.025 51 V HN 0.060 nan 8.190 nan 0.000 0.432 52 P HA 0.464 nan 4.420 nan 0.000 0.274 52 P C -0.532 176.706 177.300 -0.103 0.000 1.231 52 P CA -0.051 63.036 63.100 -0.022 0.000 0.790 52 P CB 0.686 32.372 31.700 -0.022 0.000 0.951 53 A N 3.883 126.667 122.820 -0.060 0.000 2.354 53 A HA 0.450 4.765 4.320 -0.009 0.000 0.281 53 A C -1.779 175.676 177.584 -0.215 0.000 1.174 53 A CA -1.132 50.785 52.037 -0.200 0.000 0.828 53 A CB -0.898 18.189 19.000 0.145 0.000 1.099 53 A HN 0.429 nan 8.150 nan 0.000 0.516 54 P HA 0.053 nan 4.420 nan 0.000 0.273 54 P C -0.371 176.940 177.300 0.019 0.000 1.250 54 P CA -0.409 62.644 63.100 -0.078 0.000 0.793 54 P CB 0.436 32.182 31.700 0.077 0.000 1.011 55 Q N 0.129 119.980 119.800 0.085 0.000 2.311 55 Q HA 0.292 4.627 4.340 -0.009 0.000 0.272 55 Q C -1.195 174.902 176.000 0.162 0.000 1.012 55 Q CA -0.120 55.741 55.803 0.096 0.000 0.891 55 Q CB 0.269 29.047 28.738 0.065 0.000 1.201 55 Q HN 0.183 nan 8.270 nan 0.000 0.391 56 V N 5.420 125.413 119.914 0.133 0.000 2.525 56 V HA 0.444 4.559 4.120 -0.009 0.000 0.299 56 V C -0.605 175.582 176.094 0.154 0.000 1.034 56 V CA -0.833 61.550 62.300 0.138 0.000 0.863 56 V CB 1.525 33.343 31.823 -0.009 0.000 0.999 56 V HN 0.658 nan 8.190 nan 0.000 0.423 57 V N 1.891 121.888 119.914 0.138 0.000 2.604 57 V HA 0.861 4.976 4.120 -0.009 0.000 0.305 57 V C -0.106 176.066 176.094 0.129 0.000 1.043 57 V CA -0.273 62.101 62.300 0.124 0.000 0.888 57 V CB 1.944 33.803 31.823 0.060 0.000 0.995 57 V HN 0.750 nan 8.190 nan 0.000 0.429 58 S N 3.283 119.095 115.700 0.188 0.000 2.654 58 S HA 0.851 5.315 4.470 -0.009 0.000 0.283 58 S C -0.390 174.252 174.600 0.071 0.000 1.180 58 S CA -0.706 57.631 58.200 0.230 0.000 1.021 58 S CB 1.810 65.249 63.200 0.397 0.000 1.018 58 S HN 0.924 nan 8.310 nan 0.000 0.532 59 V N 1.578 121.510 119.914 0.030 0.000 2.577 59 V HA 0.438 4.552 4.120 -0.009 0.000 0.303 59 V C 0.027 176.196 176.094 0.125 0.000 1.042 59 V CA -0.713 61.565 62.300 -0.036 0.000 0.872 59 V CB 1.986 33.600 31.823 -0.349 0.000 0.998 59 V HN 0.922 nan 8.190 nan 0.000 0.423 60 S N 3.986 119.753 115.700 0.113 0.000 2.528 60 S HA 0.576 5.041 4.470 -0.009 0.000 0.277 60 S C -0.559 174.126 174.600 0.143 0.000 1.297 60 S CA -0.256 58.018 58.200 0.125 0.000 1.052 60 S CB 0.560 63.799 63.200 0.066 0.000 0.917 60 S HN 0.530 nan 8.310 nan 0.000 0.492 61 V N 4.997 125.004 119.914 0.155 0.000 2.638 61 V HA 0.378 4.493 4.120 -0.009 0.000 0.306 61 V C -0.438 175.712 176.094 0.095 0.000 1.052 61 V CA -0.757 61.626 62.300 0.139 0.000 0.885 61 V CB 1.737 33.662 31.823 0.171 0.000 0.999 61 V HN 0.971 nan 8.190 nan 0.000 0.424 62 D N 3.557 124.000 120.400 0.071 0.000 2.811 62 D HA -0.184 4.451 4.640 -0.009 0.000 0.231 62 D C 1.270 177.593 176.300 0.037 0.000 1.157 62 D CA 2.119 56.149 54.000 0.049 0.000 0.716 62 D CB -1.186 39.641 40.800 0.046 0.000 1.077 62 D HN 1.545 nan 8.370 nan 0.000 0.428 63 G N -2.178 106.645 108.800 0.039 0.000 2.175 63 G HA2 -0.037 3.918 3.960 -0.009 0.000 0.244 63 G HA3 -0.037 3.918 3.960 -0.009 0.000 0.244 63 G C 0.451 175.361 174.900 0.017 0.000 0.982 63 G CA 0.585 45.699 45.100 0.023 0.000 0.641 63 G HN 1.164 nan 8.290 nan 0.000 0.527 64 A N -0.478 122.365 122.820 0.039 0.000 2.256 64 A HA 1.024 5.339 4.320 -0.009 0.000 0.318 64 A C 0.557 178.158 177.584 0.028 0.000 1.103 64 A CA 0.782 52.838 52.037 0.030 0.000 0.860 64 A CB 1.422 20.459 19.000 0.062 0.000 1.182 64 A HN 2.097 nan 8.150 nan 0.000 0.501 65 S N -0.370 115.280 115.700 -0.083 0.000 2.661 65 S HA 0.365 4.830 4.470 -0.009 0.000 0.268 65 S C -0.884 173.249 174.600 -0.779 0.000 1.162 65 S CA -0.844 57.219 58.200 -0.228 0.000 0.817 65 S CB 0.553 63.659 63.200 -0.157 0.000 1.141 65 S HN 0.832 nan 8.310 nan 0.000 0.477 66 N N 1.926 120.007 118.700 -1.032 0.000 2.412 66 N HA 0.123 4.858 4.740 -0.009 0.000 0.279 66 N C -0.979 174.092 175.510 -0.732 0.000 1.287 66 N CA 0.504 52.708 53.050 -1.411 0.000 0.948 66 N CB -0.474 37.472 38.487 -0.902 0.000 1.255 66 N HN 0.486 nan 8.380 nan 0.000 0.485 67 Q N 4.175 123.624 119.800 -0.586 0.000 2.891 67 Q HA 0.321 4.655 4.340 -0.009 0.000 0.242 67 Q C -2.524 173.365 176.000 -0.185 0.000 0.959 67 Q CA -1.602 54.021 55.803 -0.300 0.000 0.707 67 Q CB 1.745 30.355 28.738 -0.213 0.000 1.283 67 Q HN 0.497 nan 8.270 nan 0.000 0.480 68 P HA -0.027 nan 4.420 nan 0.000 0.265 68 P C 0.901 178.177 177.300 -0.040 0.000 1.193 68 P CA 0.412 63.474 63.100 -0.063 0.000 0.765 68 P CB 0.629 32.296 31.700 -0.055 0.000 0.823 69 T N -0.789 113.761 114.554 -0.007 0.000 3.086 69 T HA 0.262 4.607 4.350 -0.009 0.000 0.250 69 T C 1.440 176.139 174.700 -0.001 0.000 1.074 69 T CA 0.590 62.688 62.100 -0.003 0.000 0.988 69 T CB -0.750 68.127 68.868 0.015 0.000 0.988 69 T HN 0.597 nan 8.240 nan 0.000 0.530 70 G N 1.344 110.144 108.800 -0.001 0.000 2.304 70 G HA2 -0.268 3.687 3.960 -0.009 0.000 0.252 70 G HA3 -0.268 3.687 3.960 -0.009 0.000 0.252 70 G C -0.078 174.824 174.900 0.004 0.000 1.014 70 G CA 0.204 45.304 45.100 -0.001 0.000 0.619 70 G HN 0.701 nan 8.290 nan 0.000 0.525 71 D N 1.530 121.936 120.400 0.011 0.000 2.339 71 D HA 0.492 5.127 4.640 -0.009 0.000 0.241 71 D C -0.792 175.515 176.300 0.012 0.000 1.183 71 D CA -2.097 51.910 54.000 0.011 0.000 0.859 71 D CB 1.466 42.276 40.800 0.016 0.000 1.067 71 D HN 0.150 nan 8.370 nan 0.000 0.484 72 P HA 0.003 nan 4.420 nan 0.000 0.229 72 P C 0.750 178.047 177.300 -0.005 0.000 1.160 72 P CA 0.446 63.543 63.100 -0.004 0.000 0.777 72 P CB 0.396 32.089 31.700 -0.012 0.000 0.814 73 S N -1.121 114.580 115.700 0.002 0.000 2.593 73 S HA 0.224 4.689 4.470 -0.009 0.000 0.217 73 S C 1.284 175.891 174.600 0.011 0.000 0.966 73 S CA 0.278 58.480 58.200 0.003 0.000 0.914 73 S CB -0.279 62.925 63.200 0.008 0.000 0.776 73 S HN 0.247 nan 8.310 nan 0.000 0.523 74 G N 2.117 110.932 108.800 0.024 0.000 2.736 74 G HA2 0.342 4.297 3.960 -0.009 0.000 0.229 74 G HA3 0.342 4.297 3.960 -0.009 0.000 0.229 74 G C -1.848 173.089 174.900 0.061 0.000 1.380 74 G CA -0.929 44.200 45.100 0.048 0.000 1.040 74 G HN 0.036 nan 8.290 nan 0.000 0.568 75 P HA -0.050 nan 4.420 nan 0.000 0.223 75 P C 0.538 177.950 177.300 0.187 0.000 1.144 75 P CA 0.983 64.223 63.100 0.233 0.000 0.783 75 P CB 0.189 32.134 31.700 0.408 0.000 0.771 76 D N 0.145 120.621 120.400 0.128 0.000 2.178 76 D HA -0.096 4.538 4.640 -0.009 0.000 0.201 76 D C 2.341 178.680 176.300 0.065 0.000 0.980 76 D CA 1.583 55.651 54.000 0.113 0.000 0.842 76 D CB -1.071 39.770 40.800 0.069 0.000 0.948 76 D HN 0.186 nan 8.370 nan 0.000 0.472 77 G N 0.509 109.322 108.800 0.022 0.000 2.418 77 G HA2 -0.295 3.659 3.960 -0.009 0.000 0.217 77 G HA3 -0.295 3.659 3.960 -0.009 0.000 0.217 77 G C 1.658 176.522 174.900 -0.060 0.000 1.158 77 G CA 0.882 45.964 45.100 -0.032 0.000 0.771 77 G HN 0.244 nan 8.290 nan 0.000 0.545 78 E N 0.181 120.341 120.200 -0.066 0.000 2.046 78 E HA -0.054 4.291 4.350 -0.009 0.000 0.190 78 E C 2.660 179.249 176.600 -0.017 0.000 0.982 78 E CA 0.888 57.206 56.400 -0.136 0.000 0.800 78 E CB -0.409 29.076 29.700 -0.360 0.000 0.756 78 E HN 0.173 nan 8.360 nan 0.000 0.449 79 V N 1.015 121.001 119.914 0.120 0.000 2.255 79 V HA -0.276 3.838 4.120 -0.009 0.000 0.247 79 V C 2.128 178.266 176.094 0.074 0.000 1.051 79 V CA 2.448 64.854 62.300 0.177 0.000 1.018 79 V CB -0.582 31.450 31.823 0.348 0.000 0.641 79 V HN 0.320 nan 8.190 nan 0.000 0.445 80 E N -0.185 120.039 120.200 0.039 0.000 2.107 80 E HA -0.179 4.166 4.350 -0.009 0.000 0.191 80 E C 2.094 178.595 176.600 -0.165 0.000 0.982 80 E CA 1.041 57.404 56.400 -0.061 0.000 0.809 80 E CB -0.240 29.423 29.700 -0.062 0.000 0.756 80 E HN 0.453 nan 8.360 nan 0.000 0.459 81 L N 1.717 122.846 121.223 -0.156 0.000 2.042 81 L HA -0.227 4.108 4.340 -0.009 0.000 0.210 81 L C 1.443 178.201 176.870 -0.186 0.000 1.076 81 L CA 1.943 56.663 54.840 -0.200 0.000 0.749 81 L CB -0.257 41.691 42.059 -0.185 0.000 0.893 81 L HN -0.024 nan 8.230 nan 0.000 0.432 82 D N -0.174 120.151 120.400 -0.126 0.000 2.084 82 D HA -0.165 4.470 4.640 -0.009 0.000 0.196 82 D C 2.321 178.564 176.300 -0.096 0.000 0.985 82 D CA 2.059 56.004 54.000 -0.091 0.000 0.826 82 D CB -0.225 40.562 40.800 -0.021 0.000 0.978 82 D HN 0.464 nan 8.370 nan 0.000 0.456 83 I N 0.936 121.434 120.570 -0.121 0.000 2.286 83 I HA -0.217 3.948 4.170 -0.009 0.000 0.248 83 I C 2.183 178.223 176.117 -0.127 0.000 1.115 83 I CA 1.128 62.311 61.300 -0.195 0.000 1.392 83 I CB -0.215 37.639 38.000 -0.244 0.000 1.065 83 I HN -0.022 nan 8.210 nan 0.000 0.418 84 E N 0.212 120.322 120.200 -0.150 0.000 2.107 84 E HA -0.124 4.221 4.350 -0.009 0.000 0.191 84 E C 2.314 178.964 176.600 0.083 0.000 0.982 84 E CA 0.923 57.257 56.400 -0.110 0.000 0.809 84 E CB 0.147 29.509 29.700 -0.562 0.000 0.756 84 E HN 0.275 nan 8.360 nan 0.000 0.459 85 V N 1.113 120.994 119.914 -0.056 0.000 2.255 85 V HA -0.210 3.905 4.120 -0.009 0.000 0.243 85 V C 2.281 178.405 176.094 0.050 0.000 1.038 85 V CA 1.885 64.161 62.300 -0.038 0.000 1.008 85 V CB -0.647 31.036 31.823 -0.233 0.000 0.645 85 V HN 0.304 nan 8.190 nan 0.000 0.449 86 A N 0.486 123.325 122.820 0.032 0.000 1.930 86 A HA -0.042 4.273 4.320 -0.009 0.000 0.217 86 A C 2.362 180.012 177.584 0.110 0.000 1.175 86 A CA 1.808 53.932 52.037 0.144 0.000 0.627 86 A CB -1.150 18.008 19.000 0.262 0.000 0.815 86 A HN 0.541 nan 8.150 nan 0.000 0.443 87 G N -0.483 108.199 108.800 -0.197 0.000 2.408 87 G HA2 0.039 3.994 3.960 -0.009 0.000 0.217 87 G HA3 0.039 3.994 3.960 -0.009 0.000 0.217 87 G C 1.680 176.518 174.900 -0.103 0.000 1.150 87 G CA 1.218 46.060 45.100 -0.429 0.000 0.776 87 G HN 0.774 nan 8.290 nan 0.000 0.542 88 A N -0.170 122.810 122.820 0.267 0.000 2.019 88 A HA 0.131 4.446 4.320 -0.009 0.000 0.219 88 A C 2.111 179.788 177.584 0.155 0.000 1.164 88 A CA 1.245 53.456 52.037 0.290 0.000 0.644 88 A CB -0.142 19.063 19.000 0.342 0.000 0.805 88 A HN 0.329 nan 8.150 nan 0.000 0.449 89 L N -2.641 118.688 121.223 0.176 0.000 2.672 89 L HA 0.409 4.744 4.340 -0.009 0.000 0.236 89 L C 1.277 178.285 176.870 0.230 0.000 1.092 89 L CA 0.975 55.944 54.840 0.215 0.000 0.887 89 L CB 0.117 42.341 42.059 0.275 0.000 1.168 89 L HN 0.298 nan 8.230 nan 0.000 0.502 90 A N 0.172 123.133 122.820 0.235 0.000 3.248 90 A HA 0.507 4.821 4.320 -0.009 0.000 0.315 90 A C -1.797 175.920 177.584 0.221 0.000 0.974 90 A CA -0.615 51.554 52.037 0.219 0.000 0.939 90 A CB -0.047 19.096 19.000 0.238 0.000 1.061 90 A HN 0.037 nan 8.150 nan 0.000 0.481 91 P HA -0.033 nan 4.420 nan 0.000 0.233 91 P C 1.332 178.657 177.300 0.042 0.000 1.167 91 P CA 1.373 64.489 63.100 0.027 0.000 0.770 91 P CB 0.225 31.888 31.700 -0.062 0.000 0.837 92 G N 0.102 108.925 108.800 0.039 0.000 2.623 92 G HA2 0.178 4.133 3.960 -0.009 0.000 0.214 92 G HA3 0.178 4.133 3.960 -0.009 0.000 0.214 92 G C 0.820 175.707 174.900 -0.021 0.000 1.138 92 G CA 0.359 45.463 45.100 0.007 0.000 0.794 92 G HN 0.445 nan 8.290 nan 0.000 0.535 93 A N -0.042 122.747 122.820 -0.050 0.000 2.448 93 A HA 0.493 4.808 4.320 -0.009 0.000 0.239 93 A C 0.402 177.810 177.584 -0.294 0.000 1.080 93 A CA -0.031 51.861 52.037 -0.242 0.000 0.779 93 A CB 0.381 19.077 19.000 -0.506 0.000 1.026 93 A HN 0.225 nan 8.150 nan 0.000 0.499 94 K N 0.273 120.459 120.400 -0.357 0.000 2.138 94 K HA 0.522 4.837 4.320 -0.009 0.000 0.263 94 K C -1.706 174.595 176.600 -0.499 0.000 0.965 94 K CA -0.188 55.957 56.287 -0.236 0.000 0.868 94 K CB 0.567 33.003 32.500 -0.106 0.000 1.083 94 K HN 0.519 nan 8.250 nan 0.000 0.443 95 F N 1.671 121.613 119.950 -0.013 0.000 2.427 95 F HA 0.408 4.922 4.527 -0.021 0.000 0.346 95 F C 0.211 176.006 175.800 -0.009 0.000 1.120 95 F CA -0.682 57.312 58.000 -0.010 0.000 1.033 95 F CB 1.969 40.944 39.000 -0.041 0.000 1.126 95 F HN 0.458 nan 8.300 nan 0.000 0.462 96 A N 3.909 126.799 122.820 0.116 0.000 2.277 96 A HA 0.694 5.009 4.320 -0.009 0.000 0.318 96 A C -1.117 176.430 177.584 -0.061 0.000 1.339 96 A CA -0.602 51.434 52.037 -0.002 0.000 0.875 96 A CB 0.368 19.401 19.000 0.054 0.000 1.158 96 A HN 0.519 nan 8.150 nan 0.000 0.514 97 V N 3.738 123.572 119.914 -0.134 0.000 2.333 97 V HA 0.239 4.353 4.120 -0.009 0.000 0.274 97 V C -1.017 174.880 176.094 -0.328 0.000 1.028 97 V CA -0.379 61.839 62.300 -0.138 0.000 0.851 97 V CB 0.023 31.829 31.823 -0.028 0.000 1.000 97 V HN 0.701 nan 8.190 nan 0.000 0.456 98 Y N 4.644 124.862 120.300 -0.137 0.000 2.383 98 Y HA 0.519 5.061 4.550 -0.012 0.000 0.344 98 Y C -0.044 175.725 175.900 -0.217 0.000 0.986 98 Y CA -0.705 57.353 58.100 -0.069 0.000 1.175 98 Y CB 0.575 39.039 38.460 0.006 0.000 1.152 98 Y HN 0.505 nan 8.280 nan 0.000 0.511 99 F N 2.679 122.702 119.950 0.122 0.000 2.405 99 F HA 0.681 5.209 4.527 0.002 0.000 0.355 99 F C 0.382 176.196 175.800 0.024 0.000 1.121 99 F CA -0.490 57.537 58.000 0.045 0.000 1.112 99 F CB 1.007 40.019 39.000 0.019 0.000 1.126 99 F HN 0.533 nan 8.300 nan 0.000 0.481 100 A N 4.793 127.680 122.820 0.112 0.000 2.515 100 A HA 0.852 5.167 4.320 -0.009 0.000 0.296 100 A C -2.882 174.690 177.584 -0.020 0.000 1.094 100 A CA -2.122 49.946 52.037 0.052 0.000 0.718 100 A CB 1.409 20.434 19.000 0.042 0.000 1.307 100 A HN 0.392 nan 8.150 nan 0.000 0.408 101 P HA 0.042 nan 4.420 nan 0.000 0.267 101 P C -0.349 176.889 177.300 -0.102 0.000 1.200 101 P CA -0.084 62.990 63.100 -0.043 0.000 0.772 101 P CB 0.332 32.023 31.700 -0.015 0.000 0.855 102 N N 1.889 120.509 118.700 -0.133 0.000 2.950 102 N HA 0.028 4.763 4.740 -0.009 0.000 0.313 102 N C -0.623 174.831 175.510 -0.094 0.000 1.213 102 N CA 0.244 53.185 53.050 -0.182 0.000 1.184 102 N CB -0.939 37.469 38.487 -0.131 0.000 1.454 102 N HN 0.437 nan 8.380 nan 0.000 0.532 103 T N -2.594 111.926 114.554 -0.056 0.000 2.787 103 T HA 0.283 4.628 4.350 -0.009 0.000 0.297 103 T C 0.734 175.447 174.700 0.023 0.000 1.221 103 T CA -0.788 61.293 62.100 -0.031 0.000 1.006 103 T CB 0.925 69.779 68.868 -0.024 0.000 1.328 103 T HN -0.125 nan 8.240 nan 0.000 0.509 104 D N 0.938 121.309 120.400 -0.048 0.000 2.421 104 D HA -0.243 4.391 4.640 -0.009 0.000 0.195 104 D C 2.361 178.722 176.300 0.102 0.000 1.022 104 D CA 2.751 56.734 54.000 -0.029 0.000 0.871 104 D CB -0.862 39.913 40.800 -0.043 0.000 1.026 104 D HN 0.799 nan 8.370 nan 0.000 0.462 105 A N 0.302 123.163 122.820 0.067 0.000 1.851 105 A HA -0.076 4.239 4.320 -0.009 0.000 0.216 105 A C 2.433 180.075 177.584 0.097 0.000 1.195 105 A CA 2.865 54.945 52.037 0.072 0.000 0.622 105 A CB -1.343 17.682 19.000 0.041 0.000 0.831 105 A HN 0.358 nan 8.150 nan 0.000 0.444 106 G N -1.325 107.526 108.800 0.085 0.000 2.476 106 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.218 106 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.218 106 G C 1.470 176.471 174.900 0.168 0.000 1.164 106 G CA 1.264 46.416 45.100 0.086 0.000 0.768 106 G HN 0.387 nan 8.290 nan 0.000 0.560 107 F N 1.276 121.234 119.950 0.012 0.000 2.102 107 F HA -0.029 4.480 4.527 -0.029 0.000 0.298 107 F C 2.358 178.216 175.800 0.096 0.000 1.105 107 F CA 1.108 59.144 58.000 0.060 0.000 1.239 107 F CB -0.822 38.265 39.000 0.145 0.000 0.991 107 F HN 0.146 nan 8.300 nan 0.000 0.474 108 L N 0.663 122.027 121.223 0.236 0.000 2.046 108 L HA -0.180 4.155 4.340 -0.009 0.000 0.208 108 L C 1.911 178.818 176.870 0.061 0.000 1.077 108 L CA 2.158 57.040 54.840 0.069 0.000 0.747 108 L CB -1.255 40.846 42.059 0.069 0.000 0.896 108 L HN -0.035 nan 8.230 nan 0.000 0.432 109 D N -0.105 120.351 120.400 0.094 0.000 2.183 109 D HA -0.060 4.575 4.640 -0.009 0.000 0.203 109 D C 2.210 178.556 176.300 0.077 0.000 0.969 109 D CA 1.363 55.406 54.000 0.072 0.000 0.842 109 D CB -0.103 40.740 40.800 0.071 0.000 0.957 109 D HN 0.512 nan 8.370 nan 0.000 0.484 110 A N 0.630 123.518 122.820 0.113 0.000 1.930 110 A HA -0.103 4.211 4.320 -0.009 0.000 0.217 110 A C 2.328 179.903 177.584 -0.015 0.000 1.175 110 A CA 0.736 52.829 52.037 0.094 0.000 0.627 110 A CB -0.561 18.520 19.000 0.135 0.000 0.815 110 A HN 0.177 nan 8.150 nan 0.000 0.443 111 I N 0.266 120.864 120.570 0.048 0.000 2.286 111 I HA -0.213 3.952 4.170 -0.009 0.000 0.245 111 I C 2.884 178.951 176.117 -0.083 0.000 1.104 111 I CA 1.800 63.092 61.300 -0.013 0.000 1.397 111 I CB -0.556 37.459 38.000 0.026 0.000 1.072 111 I HN 0.560 nan 8.210 nan 0.000 0.417 112 T N -2.184 112.350 114.554 -0.033 0.000 2.746 112 T HA -0.172 4.173 4.350 -0.009 0.000 0.267 112 T C 1.832 176.587 174.700 0.092 0.000 1.039 112 T CA 1.920 64.055 62.100 0.058 0.000 1.142 112 T CB -0.974 67.948 68.868 0.089 0.000 0.866 112 T HN 0.203 nan 8.240 nan 0.000 0.444 113 T N 2.278 116.835 114.554 0.004 0.000 2.684 113 T HA 0.022 4.367 4.350 -0.009 0.000 0.267 113 T C 2.481 177.077 174.700 -0.173 0.000 1.036 113 T CA 1.458 63.554 62.100 -0.007 0.000 1.148 113 T CB -0.906 67.994 68.868 0.055 0.000 0.863 113 T HN 0.622 nan 8.240 nan 0.000 0.436 114 A N 0.978 123.461 122.820 -0.562 0.000 1.858 114 A HA -0.044 4.271 4.320 -0.009 0.000 0.216 114 A C 2.279 179.692 177.584 -0.285 0.000 1.190 114 A CA 1.401 52.958 52.037 -0.801 0.000 0.617 114 A CB -0.872 17.571 19.000 -0.929 0.000 0.827 114 A HN 0.445 nan 8.150 nan 0.000 0.443 115 I N -0.894 119.521 120.570 -0.259 0.000 2.208 115 I HA -0.260 3.905 4.170 -0.009 0.000 0.245 115 I C 1.871 177.805 176.117 -0.305 0.000 1.097 115 I CA 1.643 62.773 61.300 -0.285 0.000 1.363 115 I CB -0.340 37.435 38.000 -0.375 0.000 1.051 115 I HN 0.444 nan 8.210 nan 0.000 0.413 116 H N -1.132 117.904 119.070 -0.056 0.000 2.526 116 H HA 0.078 4.630 4.556 -0.006 0.000 0.274 116 H C 0.244 175.573 175.328 0.001 0.000 0.999 116 H CA -0.231 55.802 56.048 -0.025 0.000 1.157 116 H CB -0.212 29.535 29.762 -0.025 0.000 1.407 116 H HN 0.095 nan 8.280 nan 0.000 0.568 117 D N 2.302 122.758 120.400 0.093 0.000 2.389 117 D HA -0.037 4.598 4.640 -0.009 0.000 0.263 117 D C -1.421 174.938 176.300 0.099 0.000 1.255 117 D CA -1.706 52.368 54.000 0.124 0.000 0.914 117 D CB 1.226 42.140 40.800 0.190 0.000 1.116 117 D HN 0.215 nan 8.370 nan 0.000 0.502 118 P HA -0.008 nan 4.420 nan 0.000 0.240 118 P C 0.928 178.262 177.300 0.056 0.000 1.190 118 P CA 0.358 63.496 63.100 0.064 0.000 0.781 118 P CB 0.527 32.261 31.700 0.056 0.000 0.931 119 T N 0.482 115.077 114.554 0.068 0.000 2.866 119 T HA 0.103 4.448 4.350 -0.009 0.000 0.250 119 T C 1.810 176.543 174.700 0.055 0.000 1.033 119 T CA 0.936 63.069 62.100 0.056 0.000 1.145 119 T CB -0.502 68.401 68.868 0.058 0.000 0.866 119 T HN 0.053 nan 8.240 nan 0.000 0.434 120 L N 0.379 121.649 121.223 0.079 0.000 2.477 120 L HA 0.245 4.580 4.340 -0.009 0.000 0.220 120 L C 0.194 177.101 176.870 0.061 0.000 1.106 120 L CA -0.069 54.814 54.840 0.071 0.000 0.851 120 L CB -0.547 41.574 42.059 0.103 0.000 0.994 120 L HN 0.221 nan 8.230 nan 0.000 0.462 121 K N 0.165 120.601 120.400 0.061 0.000 3.834 121 K HA -0.170 4.144 4.320 -0.009 0.000 0.276 121 K C -2.283 174.328 176.600 0.018 0.000 0.850 121 K CA -0.028 56.278 56.287 0.033 0.000 0.704 121 K CB -1.799 30.712 32.500 0.018 0.000 1.644 121 K HN 0.274 nan 8.250 nan 0.000 0.440 122 P HA -0.040 nan 4.420 nan 0.000 0.271 122 P C 0.292 177.585 177.300 -0.012 0.000 1.216 122 P CA -0.065 63.043 63.100 0.012 0.000 0.776 122 P CB 1.505 33.236 31.700 0.051 0.000 0.881 123 S N 0.961 116.647 115.700 -0.024 0.000 2.556 123 S HA 0.204 4.669 4.470 -0.009 0.000 0.216 123 S C 0.542 175.133 174.600 -0.015 0.000 0.970 123 S CA -0.133 58.053 58.200 -0.023 0.000 0.912 123 S CB -0.097 63.086 63.200 -0.029 0.000 0.790 123 S HN 0.295 nan 8.310 nan 0.000 0.504 124 V N 1.159 121.068 119.914 -0.009 0.000 2.808 124 V HA 0.553 4.668 4.120 -0.009 0.000 0.308 124 V C -1.058 175.054 176.094 0.029 0.000 1.099 124 V CA -0.774 61.532 62.300 0.010 0.000 0.920 124 V CB 2.109 33.940 31.823 0.014 0.000 1.014 124 V HN 0.130 nan 8.190 nan 0.000 0.425 125 V N 2.702 122.640 119.914 0.039 0.000 2.443 125 V HA 0.502 4.617 4.120 -0.009 0.000 0.293 125 V C -0.012 176.129 176.094 0.079 0.000 1.021 125 V CA -0.295 62.042 62.300 0.061 0.000 0.848 125 V CB 1.919 33.770 31.823 0.046 0.000 0.998 125 V HN 0.883 nan 8.190 nan 0.000 0.424 126 S N 6.161 121.929 115.700 0.112 0.000 2.442 126 S HA 0.770 5.235 4.470 -0.009 0.000 0.297 126 S C -0.683 174.009 174.600 0.153 0.000 1.131 126 S CA -0.406 57.864 58.200 0.116 0.000 1.092 126 S CB 0.374 63.648 63.200 0.122 0.000 0.998 126 S HN 0.543 nan 8.310 nan 0.000 0.478 127 I N 3.852 124.516 120.570 0.155 0.000 2.466 127 I HA 0.328 4.492 4.170 -0.009 0.000 0.289 127 I C 0.121 176.362 176.117 0.208 0.000 1.026 127 I CA -0.409 61.042 61.300 0.252 0.000 1.078 127 I CB 2.354 40.548 38.000 0.322 0.000 1.249 127 I HN 0.519 nan 8.210 nan 0.000 0.429 128 S N 4.377 120.212 115.700 0.225 0.000 2.711 128 S HA 0.298 4.763 4.470 -0.009 0.000 0.247 128 S C -1.013 173.510 174.600 -0.129 0.000 1.079 128 S CA -0.488 57.722 58.200 0.018 0.000 1.050 128 S CB -0.018 63.107 63.200 -0.125 0.000 0.885 128 S HN 0.478 nan 8.310 nan 0.000 0.498 129 W N 0.060 121.417 121.300 0.096 0.000 2.962 129 W HA 0.776 5.429 4.660 -0.011 0.000 0.341 129 W C 0.395 177.113 176.519 0.332 0.000 1.155 129 W CA -0.392 56.995 57.345 0.070 0.000 1.165 129 W CB 1.305 30.603 29.460 -0.270 0.000 1.435 129 W HN 0.198 nan 8.180 nan 0.000 0.546 130 G N -0.427 108.752 108.800 0.631 0.000 2.317 130 G HA2 0.544 4.499 3.960 -0.009 0.000 0.293 130 G HA3 0.544 4.499 3.960 -0.009 0.000 0.293 130 G C -1.243 174.038 174.900 0.636 0.000 1.287 130 G CA 0.012 45.580 45.100 0.779 0.000 0.850 130 G HN 1.043 nan 8.290 nan 0.000 0.515 131 G N -1.236 108.015 108.800 0.752 0.000 2.649 131 G HA2 0.752 4.706 3.960 -0.009 0.000 0.290 131 G HA3 0.752 4.706 3.960 -0.009 0.000 0.290 131 G C -3.394 171.845 174.900 0.566 0.000 1.426 131 G CA -1.068 44.349 45.100 0.528 0.000 0.794 131 G HN 0.528 nan 8.290 nan 0.000 0.483 132 P HA 0.067 nan 4.420 nan 0.000 0.264 132 P C 0.926 178.483 177.300 0.428 0.000 1.183 132 P CA 0.193 63.480 63.100 0.312 0.000 0.763 132 P CB 0.706 32.472 31.700 0.110 0.000 0.807 133 E N 3.131 123.555 120.200 0.372 0.000 2.204 133 E HA -0.246 4.098 4.350 -0.009 0.000 0.195 133 E C 0.606 177.338 176.600 0.221 0.000 0.990 133 E CA 1.272 57.849 56.400 0.295 0.000 0.821 133 E CB -0.553 29.303 29.700 0.260 0.000 0.750 133 E HN 0.483 nan 8.360 nan 0.000 0.477 134 D N 1.517 122.038 120.400 0.202 0.000 2.363 134 D HA -0.092 4.543 4.640 -0.009 0.000 0.226 134 D C 1.554 177.934 176.300 0.133 0.000 1.020 134 D CA 0.954 55.034 54.000 0.133 0.000 0.892 134 D CB 0.220 41.102 40.800 0.138 0.000 0.900 134 D HN 0.316 nan 8.370 nan 0.000 0.531 135 S N -1.419 114.413 115.700 0.220 0.000 2.524 135 S HA 0.060 4.525 4.470 -0.009 0.000 0.215 135 S C 0.154 174.833 174.600 0.132 0.000 0.986 135 S CA -0.846 57.441 58.200 0.146 0.000 0.911 135 S CB -0.303 62.968 63.200 0.119 0.000 0.805 135 S HN 0.132 nan 8.310 nan 0.000 0.501 136 W N 3.487 124.789 121.300 0.004 0.000 2.381 136 W HA 0.526 5.178 4.660 -0.012 0.000 0.329 136 W C 1.018 177.504 176.519 -0.054 0.000 1.157 136 W CA -0.515 56.820 57.345 -0.016 0.000 1.240 136 W CB 0.597 30.006 29.460 -0.084 0.000 1.199 136 W HN 0.131 nan 8.180 nan 0.000 0.579 137 T N -1.220 113.431 114.554 0.162 0.000 2.795 137 T HA 0.025 4.370 4.350 -0.009 0.000 0.314 137 T C 1.143 175.884 174.700 0.069 0.000 1.069 137 T CA -0.036 62.114 62.100 0.084 0.000 1.071 137 T CB 0.900 69.800 68.868 0.053 0.000 0.988 137 T HN 0.365 nan 8.240 nan 0.000 0.543 138 S N 1.081 116.792 115.700 0.018 0.000 2.368 138 S HA -0.015 4.450 4.470 -0.009 0.000 0.225 138 S C 2.467 177.062 174.600 -0.008 0.000 1.030 138 S CA 1.024 59.213 58.200 -0.020 0.000 0.999 138 S CB -0.958 62.227 63.200 -0.025 0.000 0.844 138 S HN 0.899 nan 8.310 nan 0.000 0.459 139 A N 1.063 123.893 122.820 0.016 0.000 1.969 139 A HA 0.222 4.537 4.320 -0.009 0.000 0.218 139 A C 2.241 179.854 177.584 0.048 0.000 1.169 139 A CA 1.520 53.570 52.037 0.022 0.000 0.635 139 A CB -0.778 18.235 19.000 0.021 0.000 0.810 139 A HN 0.503 nan 8.150 nan 0.000 0.445 140 A N -0.322 122.560 122.820 0.102 0.000 1.968 140 A HA 0.069 4.384 4.320 -0.009 0.000 0.217 140 A C 1.986 179.655 177.584 0.143 0.000 1.169 140 A CA 1.158 53.315 52.037 0.199 0.000 0.638 140 A CB -0.351 18.878 19.000 0.382 0.000 0.812 140 A HN 0.387 nan 8.150 nan 0.000 0.446 141 I N -0.012 120.567 120.570 0.015 0.000 2.202 141 I HA -0.228 3.937 4.170 -0.009 0.000 0.242 141 I C 2.942 179.030 176.117 -0.049 0.000 1.091 141 I CA 1.534 62.692 61.300 -0.237 0.000 1.368 141 I CB -1.365 36.414 38.000 -0.368 0.000 1.058 141 I HN 0.371 nan 8.210 nan 0.000 0.410 142 A N 0.776 123.586 122.820 -0.016 0.000 1.902 142 A HA -0.120 4.195 4.320 -0.009 0.000 0.217 142 A C 2.558 180.147 177.584 0.007 0.000 1.181 142 A CA 1.913 53.962 52.037 0.021 0.000 0.623 142 A CB -0.737 18.266 19.000 0.005 0.000 0.818 142 A HN 0.423 nan 8.150 nan 0.000 0.443 143 A N -0.791 122.025 122.820 -0.006 0.000 1.902 143 A HA -0.120 4.194 4.320 -0.009 0.000 0.217 143 A C 2.220 179.737 177.584 -0.112 0.000 1.181 143 A CA 1.898 53.913 52.037 -0.036 0.000 0.623 143 A CB -0.495 18.500 19.000 -0.008 0.000 0.818 143 A HN 0.437 nan 8.150 nan 0.000 0.443 144 M N -0.259 119.277 119.600 -0.107 0.000 2.080 144 M HA -0.164 4.311 4.480 -0.009 0.000 0.260 144 M C 2.006 178.002 176.300 -0.507 0.000 1.068 144 M CA 1.501 56.602 55.300 -0.331 0.000 1.109 144 M CB -1.566 30.991 32.600 -0.072 0.000 1.342 144 M HN 0.584 nan 8.290 nan 0.000 0.405 145 N N -0.245 118.421 118.700 -0.057 0.000 2.166 145 N HA -0.190 4.544 4.740 -0.009 0.000 0.186 145 N C 1.808 177.255 175.510 -0.105 0.000 1.019 145 N CA 0.947 54.032 53.050 0.060 0.000 0.856 145 N CB 0.105 38.742 38.487 0.249 0.000 0.993 145 N HN 0.184 nan 8.380 nan 0.000 0.426 146 R N 0.963 121.389 120.500 -0.123 0.000 2.115 146 R HA 0.054 4.389 4.340 -0.009 0.000 0.226 146 R C 2.015 178.199 176.300 -0.192 0.000 1.100 146 R CA 1.188 57.202 56.100 -0.143 0.000 0.980 146 R CB -0.282 29.968 30.300 -0.083 0.000 0.875 146 R HN 0.136 nan 8.270 nan 0.000 0.445 147 A N 0.177 122.840 122.820 -0.262 0.000 1.883 147 A HA -0.146 4.169 4.320 -0.009 0.000 0.217 147 A C 1.816 179.242 177.584 -0.263 0.000 1.186 147 A CA 1.461 53.324 52.037 -0.290 0.000 0.624 147 A CB -0.789 17.961 19.000 -0.416 0.000 0.822 147 A HN 0.364 nan 8.150 nan 0.000 0.444 148 F N -0.354 119.486 119.950 -0.184 0.000 2.171 148 F HA -0.112 4.427 4.527 0.019 0.000 0.300 148 F C 2.105 177.668 175.800 -0.395 0.000 1.090 148 F CA 0.688 58.548 58.000 -0.232 0.000 1.293 148 F CB -1.048 37.854 39.000 -0.163 0.000 1.013 148 F HN 0.222 nan 8.300 nan 0.000 0.486 149 L N -0.063 120.913 121.223 -0.411 0.000 2.017 149 L HA -0.245 4.090 4.340 -0.009 0.000 0.208 149 L C 2.080 178.742 176.870 -0.346 0.000 1.073 149 L CA 1.697 56.114 54.840 -0.704 0.000 0.745 149 L CB -0.485 41.164 42.059 -0.683 0.000 0.894 149 L HN -0.005 nan 8.230 nan 0.000 0.432 150 D N 0.058 120.328 120.400 -0.217 0.000 2.178 150 D HA -0.167 4.468 4.640 -0.009 0.000 0.201 150 D C 2.138 178.346 176.300 -0.154 0.000 0.980 150 D CA 1.312 55.229 54.000 -0.139 0.000 0.842 150 D CB -0.051 40.705 40.800 -0.073 0.000 0.948 150 D HN 0.524 nan 8.370 nan 0.000 0.472 151 A N 1.193 123.924 122.820 -0.148 0.000 1.873 151 A HA -0.010 4.305 4.320 -0.009 0.000 0.215 151 A C 2.366 179.899 177.584 -0.085 0.000 1.186 151 A CA 2.097 54.068 52.037 -0.109 0.000 0.616 151 A CB -0.821 18.163 19.000 -0.028 0.000 0.823 151 A HN 0.220 nan 8.150 nan 0.000 0.442 152 A N 0.031 122.781 122.820 -0.116 0.000 1.892 152 A HA 0.031 4.346 4.320 -0.009 0.000 0.218 152 A C 2.496 180.059 177.584 -0.034 0.000 1.188 152 A CA 2.507 54.498 52.037 -0.077 0.000 0.631 152 A CB -1.111 17.767 19.000 -0.202 0.000 0.822 152 A HN 1.182 nan 8.150 nan 0.000 0.447 153 A N -0.869 121.911 122.820 -0.067 0.000 2.019 153 A HA 0.082 4.397 4.320 -0.009 0.000 0.219 153 A C 1.882 179.454 177.584 -0.020 0.000 1.164 153 A CA 1.305 53.324 52.037 -0.030 0.000 0.644 153 A CB -0.439 18.539 19.000 -0.037 0.000 0.805 153 A HN 0.476 nan 8.150 nan 0.000 0.449 154 L N -0.901 120.299 121.223 -0.038 0.000 2.611 154 L HA 0.210 4.544 4.340 -0.009 0.000 0.229 154 L C 1.447 178.304 176.870 -0.021 0.000 1.137 154 L CA 0.386 55.207 54.840 -0.032 0.000 0.901 154 L CB -0.223 41.799 42.059 -0.061 0.000 1.098 154 L HN 0.545 nan 8.230 nan 0.000 0.456 155 G N 0.720 109.516 108.800 -0.007 0.000 2.221 155 G HA2 -0.239 3.716 3.960 -0.009 0.000 0.265 155 G HA3 -0.239 3.716 3.960 -0.009 0.000 0.265 155 G C -0.006 174.894 174.900 0.002 0.000 1.041 155 G CA 0.104 45.208 45.100 0.007 0.000 0.807 155 G HN 0.140 nan 8.290 nan 0.000 0.502 156 V N 0.856 120.767 119.914 -0.006 0.000 2.394 156 V HA 0.527 4.641 4.120 -0.009 0.000 0.282 156 V C 0.808 176.911 176.094 0.015 0.000 1.031 156 V CA -0.132 62.163 62.300 -0.009 0.000 0.881 156 V CB 1.675 33.477 31.823 -0.035 0.000 0.982 156 V HN 0.333 nan 8.190 nan 0.000 0.451 157 T N 5.038 119.603 114.554 0.018 0.000 2.749 157 T HA 0.421 4.766 4.350 -0.009 0.000 0.295 157 T C -0.115 174.595 174.700 0.017 0.000 0.936 157 T CA -0.204 61.915 62.100 0.032 0.000 1.060 157 T CB 0.962 69.844 68.868 0.023 0.000 0.904 157 T HN 0.373 nan 8.240 nan 0.000 0.500 158 V N 5.567 125.479 119.914 -0.003 0.000 2.398 158 V HA 0.474 4.589 4.120 -0.009 0.000 0.286 158 V C -0.370 175.676 176.094 -0.080 0.000 1.026 158 V CA -0.845 61.417 62.300 -0.064 0.000 0.868 158 V CB 1.117 32.840 31.823 -0.167 0.000 0.982 158 V HN 0.654 nan 8.190 nan 0.000 0.443 159 L N 4.408 125.611 121.223 -0.034 0.000 2.346 159 L HA 0.907 5.242 4.340 -0.009 0.000 0.276 159 L C 0.114 176.975 176.870 -0.014 0.000 1.006 159 L CA -0.239 54.600 54.840 -0.002 0.000 0.817 159 L CB 1.924 44.025 42.059 0.069 0.000 1.272 159 L HN 0.751 nan 8.230 nan 0.000 0.421 160 A N 2.009 124.814 122.820 -0.025 0.000 2.393 160 A HA 0.901 5.216 4.320 -0.009 0.000 0.306 160 A C -0.342 177.265 177.584 0.039 0.000 1.050 160 A CA -0.565 51.476 52.037 0.007 0.000 0.724 160 A CB 1.397 20.360 19.000 -0.062 0.000 1.248 160 A HN 0.796 nan 8.150 nan 0.000 0.424 161 A N 1.049 123.905 122.820 0.060 0.000 2.511 161 A HA 0.484 4.799 4.320 -0.009 0.000 0.242 161 A C 1.261 178.902 177.584 0.093 0.000 1.069 161 A CA 0.410 52.483 52.037 0.060 0.000 0.763 161 A CB 0.006 19.031 19.000 0.042 0.000 1.001 161 A HN 2.081 nan 8.150 nan 0.000 0.498 162 A N 2.103 124.986 122.820 0.106 0.000 2.208 162 A HA 0.500 4.815 4.320 -0.009 0.000 0.209 162 A C 1.265 178.939 177.584 0.151 0.000 1.161 162 A CA 1.145 53.257 52.037 0.125 0.000 0.782 162 A CB -0.744 18.328 19.000 0.119 0.000 0.816 162 A HN 2.743 nan 8.150 nan 0.000 0.477 163 G N -1.345 107.552 108.800 0.160 0.000 2.465 163 G HA2 0.184 4.139 3.960 -0.009 0.000 0.681 163 G HA3 0.184 4.139 3.960 -0.009 0.000 0.681 163 G C -0.944 174.069 174.900 0.187 0.000 1.340 163 G CA -0.126 45.074 45.100 0.166 0.000 0.884 163 G HN -0.016 nan 8.290 nan 0.000 0.650 164 D N -0.088 120.413 120.400 0.169 0.000 2.479 164 D HA 0.324 4.959 4.640 -0.009 0.000 0.218 164 D C 1.272 177.550 176.300 -0.037 0.000 1.177 164 D CA 0.455 54.564 54.000 0.182 0.000 0.830 164 D CB 0.934 41.932 40.800 0.330 0.000 1.014 164 D HN 0.249 nan 8.370 nan 0.000 0.503 165 S N 0.181 115.873 115.700 -0.014 0.000 2.711 165 S HA 0.503 4.968 4.470 -0.009 0.000 0.247 165 S C 0.798 175.384 174.600 -0.024 0.000 1.079 165 S CA -0.045 58.138 58.200 -0.029 0.000 1.050 165 S CB 0.794 64.017 63.200 0.038 0.000 0.885 165 S HN 0.456 nan 8.310 nan 0.000 0.498 166 G N 2.386 111.137 108.800 -0.081 0.000 2.645 166 G HA2 -0.309 3.646 3.960 -0.009 0.000 0.246 166 G HA3 -0.309 3.646 3.960 -0.009 0.000 0.246 166 G C 0.819 175.776 174.900 0.096 0.000 1.322 166 G CA 0.011 45.091 45.100 -0.033 0.000 0.898 166 G HN 0.888 nan 8.290 nan 0.000 0.573 167 S N -1.302 114.496 115.700 0.162 0.000 2.555 167 S HA 0.033 4.498 4.470 -0.009 0.000 0.230 167 S C 1.968 176.782 174.600 0.357 0.000 0.978 167 S CA 2.094 60.475 58.200 0.302 0.000 0.934 167 S CB -0.351 63.051 63.200 0.337 0.000 0.766 167 S HN 1.820 nan 8.310 nan 0.000 0.533 168 T N -2.117 112.585 114.554 0.247 0.000 3.014 168 T HA 0.206 4.551 4.350 -0.009 0.000 0.250 168 T C 0.402 175.270 174.700 0.281 0.000 1.060 168 T CA 0.346 62.587 62.100 0.235 0.000 1.040 168 T CB -0.467 68.463 68.868 0.103 0.000 0.971 168 T HN 0.302 nan 8.240 nan 0.000 0.497 169 D N 1.238 121.760 120.400 0.203 0.000 2.837 169 D HA -0.129 4.506 4.640 -0.009 0.000 0.230 169 D C 1.224 177.597 176.300 0.122 0.000 1.152 169 D CA 1.542 55.647 54.000 0.175 0.000 0.736 169 D CB -1.543 39.398 40.800 0.235 0.000 1.084 169 D HN 0.850 nan 8.370 nan 0.000 0.429 170 G N -1.015 107.841 108.800 0.093 0.000 2.179 170 G HA2 -0.323 3.632 3.960 -0.009 0.000 0.260 170 G HA3 -0.323 3.632 3.960 -0.009 0.000 0.260 170 G C -0.000 174.922 174.900 0.038 0.000 0.977 170 G CA 0.336 45.471 45.100 0.059 0.000 0.641 170 G HN 0.503 nan 8.290 nan 0.000 0.533 171 E N 0.621 120.843 120.200 0.036 0.000 2.259 171 E HA 0.321 4.665 4.350 -0.009 0.000 0.281 171 E C 0.506 177.128 176.600 0.037 0.000 1.037 171 E CA -0.035 56.348 56.400 -0.029 0.000 0.854 171 E CB 0.526 30.053 29.700 -0.289 0.000 1.051 171 E HN 0.671 nan 8.360 nan 0.000 0.409 172 Q N 1.213 121.022 119.800 0.014 0.000 2.375 172 Q HA 0.061 4.396 4.340 -0.009 0.000 0.316 172 Q C -0.211 175.798 176.000 0.015 0.000 0.927 172 Q CA -0.171 55.640 55.803 0.015 0.000 1.029 172 Q CB -0.040 28.702 28.738 0.006 0.000 1.202 172 Q HN 0.344 nan 8.270 nan 0.000 0.431 173 D N -0.752 119.675 120.400 0.045 0.000 2.340 173 D HA 0.144 4.779 4.640 -0.009 0.000 0.217 173 D C 1.214 177.521 176.300 0.013 0.000 1.081 173 D CA 0.312 54.337 54.000 0.041 0.000 0.842 173 D CB 0.198 41.043 40.800 0.074 0.000 0.934 173 D HN 0.312 nan 8.370 nan 0.000 0.511 174 G N -0.066 108.717 108.800 -0.028 0.000 2.195 174 G HA2 -0.226 3.729 3.960 -0.009 0.000 0.246 174 G HA3 -0.226 3.729 3.960 -0.009 0.000 0.246 174 G C 0.018 174.785 174.900 -0.222 0.000 0.984 174 G CA 0.376 45.410 45.100 -0.110 0.000 0.633 174 G HN 0.354 nan 8.290 nan 0.000 0.525 175 L N -0.382 120.734 121.223 -0.179 0.000 2.332 175 L HA 0.633 4.968 4.340 -0.009 0.000 0.269 175 L C 0.408 176.879 176.870 -0.665 0.000 1.016 175 L CA -1.208 53.408 54.840 -0.374 0.000 0.809 175 L CB 0.727 42.630 42.059 -0.260 0.000 1.280 175 L HN 0.056 nan 8.230 nan 0.000 0.447 176 Y N 0.023 120.112 120.300 -0.352 0.000 2.304 176 Y HA 0.371 4.914 4.550 -0.011 0.000 0.328 176 Y C 0.353 175.937 175.900 -0.527 0.000 1.123 176 Y CA -0.236 57.694 58.100 -0.283 0.000 1.218 176 Y CB 0.590 39.014 38.460 -0.059 0.000 1.207 176 Y HN 0.321 nan 8.280 nan 0.000 0.495 177 H N 1.544 120.778 119.070 0.274 0.000 2.851 177 H HA 0.605 5.154 4.556 -0.011 0.000 0.372 177 H C -0.972 174.494 175.328 0.229 0.000 1.158 177 H CA -1.068 55.112 56.048 0.221 0.000 1.159 177 H CB 1.879 31.743 29.762 0.171 0.000 1.757 177 H HN 0.510 nan 8.280 nan 0.000 0.546 178 V N -0.752 119.365 119.914 0.338 0.000 2.667 178 V HA 0.377 4.492 4.120 -0.009 0.000 0.308 178 V C 0.023 176.298 176.094 0.301 0.000 1.048 178 V CA -0.943 61.524 62.300 0.278 0.000 0.928 178 V CB 1.983 33.946 31.823 0.232 0.000 1.004 178 V HN 0.637 nan 8.190 nan 0.000 0.444 179 D N 1.504 122.069 120.400 0.275 0.000 2.304 179 D HA 0.441 5.076 4.640 -0.009 0.000 0.247 179 D C -1.108 175.386 176.300 0.324 0.000 1.089 179 D CA 0.079 54.265 54.000 0.309 0.000 0.910 179 D CB 1.127 42.086 40.800 0.265 0.000 1.199 179 D HN 0.603 nan 8.370 nan 0.000 0.426 180 F N 3.739 123.798 119.950 0.183 0.000 2.469 180 F HA 0.426 4.963 4.527 0.017 0.000 0.332 180 F C -1.745 174.093 175.800 0.063 0.000 1.103 180 F CA -2.325 55.660 58.000 -0.026 0.000 0.979 180 F CB 2.186 40.933 39.000 -0.421 0.000 1.137 180 F HN 0.263 nan 8.300 nan 0.000 0.463 181 P HA 0.090 nan 4.420 nan 0.000 0.255 181 P C 0.732 177.659 177.300 -0.623 0.000 1.248 181 P CA 0.659 62.973 63.100 -1.310 0.000 0.807 181 P CB 0.142 31.350 31.700 -0.819 0.000 1.150 182 A N 1.057 123.753 122.820 -0.208 0.000 2.019 182 A HA -0.032 4.283 4.320 -0.009 0.000 0.219 182 A C 2.296 179.843 177.584 -0.062 0.000 1.164 182 A CA 1.694 53.670 52.037 -0.103 0.000 0.644 182 A CB -1.302 17.715 19.000 0.029 0.000 0.805 182 A HN 0.243 nan 8.150 nan 0.000 0.449 183 A N -0.488 122.348 122.820 0.025 0.000 2.121 183 A HA 0.153 4.468 4.320 -0.009 0.000 0.218 183 A C 1.578 179.076 177.584 -0.143 0.000 1.154 183 A CA 0.918 53.030 52.037 0.124 0.000 0.679 183 A CB -0.688 18.559 19.000 0.412 0.000 0.795 183 A HN 0.534 nan 8.150 nan 0.000 0.458 184 S N 0.706 116.193 115.700 -0.355 0.000 2.546 184 S HA 0.160 4.625 4.470 -0.009 0.000 0.290 184 S C -0.904 173.497 174.600 -0.332 0.000 1.290 184 S CA -0.672 57.179 58.200 -0.583 0.000 1.069 184 S CB 0.731 63.748 63.200 -0.306 0.000 0.846 184 S HN 0.320 nan 8.310 nan 0.000 0.495 185 P HA -0.047 nan 4.420 nan 0.000 0.226 185 P C 0.250 177.552 177.300 0.003 0.000 1.153 185 P CA 0.997 64.059 63.100 -0.063 0.000 0.777 185 P CB -0.074 31.529 31.700 -0.163 0.000 0.794 186 Y N -0.753 119.533 120.300 -0.022 0.000 2.470 186 Y HA 0.174 4.716 4.550 -0.015 0.000 0.284 186 Y C 1.106 176.888 175.900 -0.197 0.000 1.188 186 Y CA -0.044 57.964 58.100 -0.153 0.000 1.269 186 Y CB 0.247 38.577 38.460 -0.216 0.000 1.094 186 Y HN -0.262 nan 8.280 nan 0.000 0.518 187 V N 1.201 121.057 119.914 -0.097 0.000 2.715 187 V HA 0.248 4.363 4.120 -0.009 0.000 0.310 187 V C -0.725 175.340 176.094 -0.049 0.000 1.054 187 V CA -1.220 60.938 62.300 -0.238 0.000 0.928 187 V CB 2.125 33.638 31.823 -0.517 0.000 1.007 187 V HN -0.122 nan 8.190 nan 0.000 0.437 188 L N 5.433 126.637 121.223 -0.031 0.000 2.312 188 L HA 0.625 4.960 4.340 -0.009 0.000 0.287 188 L C 0.417 177.313 176.870 0.044 0.000 1.091 188 L CA -0.418 54.440 54.840 0.029 0.000 0.846 188 L CB -0.070 42.009 42.059 0.034 0.000 1.219 188 L HN 0.728 nan 8.230 nan 0.000 0.439 189 A N 5.201 128.067 122.820 0.076 0.000 2.409 189 A HA 0.483 4.798 4.320 -0.009 0.000 0.262 189 A C -0.171 177.483 177.584 0.116 0.000 1.113 189 A CA -0.336 51.749 52.037 0.079 0.000 0.790 189 A CB -0.068 18.992 19.000 0.100 0.000 1.046 189 A HN 0.834 nan 8.150 nan 0.000 0.496 190 C N 3.155 122.515 119.300 0.100 0.000 2.271 190 C HA 0.695 5.150 4.460 -0.009 0.000 0.323 190 C C 1.188 176.234 174.990 0.093 0.000 1.245 190 C CA -0.384 58.702 59.018 0.112 0.000 1.548 190 C CB 0.210 27.983 27.740 0.055 0.000 2.214 190 C HN 1.077 nan 8.230 nan 0.000 0.477 191 G N 1.921 110.784 108.800 0.105 0.000 2.568 191 G HA2 0.752 4.707 3.960 -0.009 0.000 0.293 191 G HA3 0.752 4.707 3.960 -0.009 0.000 0.293 191 G C -0.229 174.757 174.900 0.144 0.000 1.347 191 G CA -0.367 44.803 45.100 0.117 0.000 1.039 191 G HN 1.001 nan 8.290 nan 0.000 0.523 192 G N -1.477 107.454 108.800 0.219 0.000 2.519 192 G HA2 0.661 4.616 3.960 -0.009 0.000 0.307 192 G HA3 0.661 4.616 3.960 -0.009 0.000 0.307 192 G C -0.419 174.652 174.900 0.286 0.000 1.266 192 G CA 0.161 45.419 45.100 0.263 0.000 0.970 192 G HN 1.002 nan 8.290 nan 0.000 0.481 193 T N -1.925 112.757 114.554 0.213 0.000 2.888 193 T HA 0.693 5.038 4.350 -0.009 0.000 0.288 193 T C -0.397 174.400 174.700 0.160 0.000 1.063 193 T CA -0.950 61.276 62.100 0.210 0.000 1.010 193 T CB 2.202 71.183 68.868 0.188 0.000 1.214 193 T HN 0.640 nan 8.240 nan 0.000 0.533 194 R N 0.926 121.524 120.500 0.164 0.000 2.265 194 R HA 0.625 4.960 4.340 -0.009 0.000 0.328 194 R C -1.423 174.933 176.300 0.094 0.000 0.969 194 R CA -0.860 55.307 56.100 0.113 0.000 0.832 194 R CB 0.557 30.941 30.300 0.140 0.000 1.139 194 R HN 0.652 nan 8.270 nan 0.000 0.457 195 L N 5.252 126.512 121.223 0.062 0.000 2.313 195 L HA 0.457 4.791 4.340 -0.009 0.000 0.283 195 L C -1.466 175.456 176.870 0.087 0.000 1.013 195 L CA -0.514 54.346 54.840 0.034 0.000 0.816 195 L CB 2.021 44.020 42.059 -0.100 0.000 1.236 195 L HN 0.407 nan 8.230 nan 0.000 0.419 196 V N 5.593 125.546 119.914 0.066 0.000 2.350 196 V HA 0.903 5.018 4.120 -0.009 0.000 0.285 196 V C 0.098 176.216 176.094 0.040 0.000 1.014 196 V CA 0.066 62.427 62.300 0.101 0.000 0.831 196 V CB 0.680 32.544 31.823 0.067 0.000 1.000 196 V HN 1.003 nan 8.190 nan 0.000 0.433 197 A N 4.081 126.939 122.820 0.062 0.000 2.527 197 A HA 1.064 5.379 4.320 -0.009 0.000 0.293 197 A C -0.390 177.210 177.584 0.026 0.000 1.117 197 A CA -0.129 51.878 52.037 -0.049 0.000 0.723 197 A CB 2.353 21.202 19.000 -0.251 0.000 1.313 197 A HN 1.550 nan 8.150 nan 0.000 0.411 198 S N -1.109 114.580 115.700 -0.019 0.000 2.678 198 S HA 0.519 4.984 4.470 -0.009 0.000 0.290 198 S C 0.366 174.953 174.600 -0.021 0.000 1.047 198 S CA 0.363 58.563 58.200 -0.000 0.000 0.851 198 S CB 0.371 63.581 63.200 0.017 0.000 1.058 198 S HN 2.819 nan 8.310 nan 0.000 0.451 199 G N 1.026 109.814 108.800 -0.019 0.000 2.179 199 G HA2 0.208 4.162 3.960 -0.009 0.000 0.257 199 G HA3 0.208 4.162 3.960 -0.009 0.000 0.257 199 G C 1.645 176.526 174.900 -0.032 0.000 1.010 199 G CA 1.109 46.197 45.100 -0.021 0.000 0.736 199 G HN 2.691 nan 8.290 nan 0.000 0.513 200 G N -1.151 107.618 108.800 -0.052 0.000 2.153 200 G HA2 -0.241 3.714 3.960 -0.009 0.000 0.252 200 G HA3 -0.241 3.714 3.960 -0.009 0.000 0.252 200 G C 0.275 175.137 174.900 -0.063 0.000 0.994 200 G CA 1.433 46.494 45.100 -0.066 0.000 0.698 200 G HN 1.552 nan 8.290 nan 0.000 0.521 201 R N -0.103 120.361 120.500 -0.061 0.000 2.637 201 R HA 0.652 4.987 4.340 -0.009 0.000 0.291 201 R C 0.086 176.340 176.300 -0.078 0.000 0.963 201 R CA -1.232 54.836 56.100 -0.053 0.000 0.901 201 R CB 0.766 31.050 30.300 -0.027 0.000 1.160 201 R HN 0.141 nan 8.270 nan 0.000 0.457 202 I N 4.615 125.124 120.570 -0.101 0.000 2.436 202 I HA 0.070 4.235 4.170 -0.009 0.000 0.289 202 I C 1.109 177.193 176.117 -0.055 0.000 1.083 202 I CA 0.023 61.244 61.300 -0.131 0.000 1.372 202 I CB 1.514 39.335 38.000 -0.299 0.000 1.408 202 I HN 0.845 nan 8.210 nan 0.000 0.516 203 A N 6.125 128.932 122.820 -0.021 0.000 1.943 203 A HA 0.095 4.409 4.320 -0.009 0.000 0.213 203 A C 0.823 178.432 177.584 0.043 0.000 1.181 203 A CA 0.840 52.886 52.037 0.015 0.000 0.653 203 A CB 0.222 19.233 19.000 0.018 0.000 0.833 203 A HN 0.773 nan 8.150 nan 0.000 0.451 204 Q N -1.227 118.601 119.800 0.046 0.000 2.284 204 Q HA 0.499 4.834 4.340 -0.009 0.000 0.269 204 Q C -1.691 174.369 176.000 0.101 0.000 1.026 204 Q CA -0.284 55.568 55.803 0.082 0.000 0.831 204 Q CB 2.414 31.193 28.738 0.068 0.000 1.322 204 Q HN 0.451 nan 8.270 nan 0.000 0.419 205 E N 1.833 122.132 120.200 0.165 0.000 2.281 205 E HA 0.418 4.763 4.350 -0.009 0.000 0.266 205 E C -1.473 175.226 176.600 0.166 0.000 0.893 205 E CA -0.218 56.291 56.400 0.181 0.000 0.798 205 E CB 1.496 31.344 29.700 0.247 0.000 1.245 205 E HN 0.688 nan 8.360 nan 0.000 0.410 206 T N -0.931 113.704 114.554 0.136 0.000 2.901 206 T HA 0.453 4.798 4.350 -0.009 0.000 0.293 206 T C -0.012 174.765 174.700 0.129 0.000 1.084 206 T CA -0.784 61.384 62.100 0.112 0.000 1.008 206 T CB 1.199 70.125 68.868 0.096 0.000 1.170 206 T HN 0.122 nan 8.240 nan 0.000 0.509 207 V N 1.608 121.583 119.914 0.103 0.000 2.694 207 V HA 0.049 4.164 4.120 -0.009 0.000 0.306 207 V C 0.250 176.463 176.094 0.198 0.000 1.054 207 V CA -0.253 62.119 62.300 0.119 0.000 1.161 207 V CB -0.334 31.525 31.823 0.060 0.000 0.916 207 V HN 0.868 nan 8.190 nan 0.000 0.490 208 W N 7.311 128.636 121.300 0.043 0.000 2.446 208 W HA 0.350 4.996 4.660 -0.024 0.000 0.316 208 W C 0.058 176.603 176.519 0.043 0.000 1.376 208 W CA -0.613 56.759 57.345 0.046 0.000 1.300 208 W CB -0.091 29.400 29.460 0.052 0.000 1.351 208 W HN 0.630 nan 8.180 nan 0.000 0.530 209 N N 5.256 123.929 118.700 -0.046 0.000 2.599 209 N HA 0.095 4.830 4.740 -0.009 0.000 0.283 209 N C -1.300 174.153 175.510 -0.095 0.000 1.160 209 N CA -0.181 52.728 53.050 -0.234 0.000 0.869 209 N CB 1.003 39.430 38.487 -0.100 0.000 1.448 209 N HN 0.378 nan 8.380 nan 0.000 0.535 210 D N 2.175 122.490 120.400 -0.142 0.000 2.670 210 D HA 0.303 4.937 4.640 -0.009 0.000 0.255 210 D C 1.089 177.379 176.300 -0.017 0.000 1.286 210 D CA 0.228 54.243 54.000 0.025 0.000 0.830 210 D CB 0.223 41.127 40.800 0.172 0.000 1.065 210 D HN 0.880 nan 8.370 nan 0.000 0.486 211 G N 2.056 110.817 108.800 -0.065 0.000 2.749 211 G HA2 -0.274 3.681 3.960 -0.009 0.000 0.242 211 G HA3 -0.274 3.681 3.960 -0.009 0.000 0.242 211 G C -1.706 173.161 174.900 -0.055 0.000 1.364 211 G CA -0.536 44.534 45.100 -0.051 0.000 0.888 211 G HN 0.059 nan 8.290 nan 0.000 0.566 212 P HA -0.024 nan 4.420 nan 0.000 0.216 212 P C 1.172 178.466 177.300 -0.010 0.000 1.153 212 P CA 2.066 65.153 63.100 -0.022 0.000 0.858 212 P CB -0.086 31.609 31.700 -0.009 0.000 0.789 213 D N -1.755 118.646 120.400 0.002 0.000 2.213 213 D HA 0.024 4.658 4.640 -0.009 0.000 0.205 213 D C 1.874 178.197 176.300 0.038 0.000 0.961 213 D CA 1.148 55.159 54.000 0.019 0.000 0.853 213 D CB -0.522 40.291 40.800 0.022 0.000 0.967 213 D HN 0.135 nan 8.370 nan 0.000 0.496 214 G N -1.058 107.768 108.800 0.043 0.000 3.453 214 G HA2 0.490 4.445 3.960 -0.009 0.000 0.263 214 G HA3 0.490 4.445 3.960 -0.009 0.000 0.263 214 G C 0.544 175.533 174.900 0.148 0.000 1.060 214 G CA 0.059 45.226 45.100 0.112 0.000 0.793 214 G HN 0.454 nan 8.290 nan 0.000 0.532 215 G N -1.086 107.700 108.800 -0.023 0.000 2.758 215 G HA2 0.443 4.398 3.960 -0.009 0.000 0.686 215 G HA3 0.443 4.398 3.960 -0.009 0.000 0.686 215 G C -0.273 174.081 174.900 -0.910 0.000 1.389 215 G CA -0.416 44.529 45.100 -0.258 0.000 0.845 215 G HN 1.613 nan 8.290 nan 0.000 0.572 216 A N -0.447 121.596 122.820 -1.296 0.000 2.606 216 A HA 0.959 5.274 4.320 -0.009 0.000 0.293 216 A C 0.139 177.135 177.584 -0.981 0.000 1.082 216 A CA 0.779 51.996 52.037 -1.368 0.000 0.685 216 A CB 1.448 20.110 19.000 -0.565 0.000 1.284 216 A HN 2.392 nan 8.150 nan 0.000 0.408 217 T N 0.669 114.969 114.554 -0.424 0.000 2.940 217 T HA 0.457 4.802 4.350 -0.009 0.000 0.309 217 T C 0.929 175.644 174.700 0.025 0.000 1.056 217 T CA 0.825 62.968 62.100 0.072 0.000 1.137 217 T CB 0.002 69.019 68.868 0.248 0.000 0.976 217 T HN 1.475 nan 8.240 nan 0.000 0.547 218 G N 1.646 110.503 108.800 0.094 0.000 2.634 218 G HA2 0.597 4.552 3.960 -0.009 0.000 0.255 218 G HA3 0.597 4.552 3.960 -0.009 0.000 0.255 218 G C 0.149 175.105 174.900 0.093 0.000 1.205 218 G CA -0.152 45.010 45.100 0.103 0.000 0.884 218 G HN 1.196 nan 8.290 nan 0.000 0.549 219 G N -2.163 106.695 108.800 0.097 0.000 2.384 219 G HA2 0.712 4.667 3.960 -0.009 0.000 0.300 219 G HA3 0.712 4.667 3.960 -0.009 0.000 0.300 219 G C -0.327 174.569 174.900 -0.007 0.000 1.582 219 G CA 0.437 45.554 45.100 0.029 0.000 0.875 219 G HN 2.108 nan 8.290 nan 0.000 0.628 220 G N -1.766 106.935 108.800 -0.165 0.000 2.398 220 G HA2 0.568 4.523 3.960 -0.009 0.000 0.251 220 G HA3 0.568 4.523 3.960 -0.009 0.000 0.251 220 G C -1.718 173.052 174.900 -0.217 0.000 1.277 220 G CA 0.457 45.287 45.100 -0.449 0.000 0.927 220 G HN 1.733 nan 8.290 nan 0.000 0.477 221 V N 0.704 120.552 119.914 -0.109 0.000 2.577 221 V HA 0.669 4.784 4.120 -0.009 0.000 0.303 221 V C 0.598 176.743 176.094 0.084 0.000 1.042 221 V CA -0.254 62.049 62.300 0.004 0.000 0.872 221 V CB 1.224 33.044 31.823 -0.004 0.000 0.998 221 V HN 1.156 nan 8.190 nan 0.000 0.423 222 S N 3.719 119.482 115.700 0.104 0.000 2.562 222 S HA 0.281 4.746 4.470 -0.009 0.000 0.281 222 S C 0.852 175.510 174.600 0.097 0.000 1.333 222 S CA -0.137 58.156 58.200 0.154 0.000 1.052 222 S CB 0.390 63.744 63.200 0.258 0.000 0.884 222 S HN 0.712 nan 8.310 nan 0.000 0.506 223 R N 3.428 123.978 120.500 0.084 0.000 2.427 223 R HA 0.420 4.755 4.340 -0.009 0.000 0.262 223 R C 0.756 177.038 176.300 -0.030 0.000 0.943 223 R CA 0.217 56.338 56.100 0.034 0.000 1.081 223 R CB 0.111 30.442 30.300 0.051 0.000 1.166 223 R HN 0.646 nan 8.270 nan 0.000 0.534 224 I N -1.269 119.252 120.570 -0.083 0.000 3.971 224 I HA 0.161 4.326 4.170 -0.009 0.000 0.303 224 I C -0.312 175.598 176.117 -0.344 0.000 1.233 224 I CA 0.111 61.234 61.300 -0.295 0.000 1.346 224 I CB 0.577 38.253 38.000 -0.540 0.000 1.273 224 I HN -0.099 nan 8.210 nan 0.000 0.448 225 F N 2.385 122.337 119.950 0.003 0.000 2.420 225 F HA 0.440 4.966 4.527 -0.001 0.000 0.342 225 F C -2.327 173.438 175.800 -0.059 0.000 1.113 225 F CA -2.917 55.076 58.000 -0.011 0.000 1.059 225 F CB 0.164 39.178 39.000 0.024 0.000 1.128 225 F HN -0.302 nan 8.300 nan 0.000 0.475 226 P HA 0.025 nan 4.420 nan 0.000 0.270 226 P C -0.560 176.666 177.300 -0.123 0.000 1.223 226 P CA -0.434 62.647 63.100 -0.032 0.000 0.785 226 P CB 0.631 32.305 31.700 -0.044 0.000 0.923 227 L N 4.605 125.714 121.223 -0.191 0.000 2.562 227 L HA 0.184 4.519 4.340 -0.009 0.000 0.271 227 L C -2.063 174.538 176.870 -0.447 0.000 1.167 227 L CA -1.079 53.565 54.840 -0.328 0.000 0.917 227 L CB -0.700 41.178 42.059 -0.301 0.000 1.187 227 L HN 0.291 nan 8.230 nan 0.000 0.482 228 P HA 0.108 nan 4.420 nan 0.000 0.274 228 P C 0.101 176.887 177.300 -0.856 0.000 1.237 228 P CA -0.089 62.468 63.100 -0.907 0.000 0.793 228 P CB 0.943 31.638 31.700 -1.674 0.000 0.977 229 A N 2.905 125.370 122.820 -0.592 0.000 1.892 229 A HA -0.167 4.148 4.320 -0.009 0.000 0.218 229 A C 1.895 179.317 177.584 -0.269 0.000 1.188 229 A CA 1.693 53.539 52.037 -0.317 0.000 0.631 229 A CB -1.741 17.189 19.000 -0.115 0.000 0.822 229 A HN 0.831 nan 8.150 nan 0.000 0.447 230 W N -1.012 120.180 121.300 -0.180 0.000 2.848 230 W HA 0.050 4.702 4.660 -0.013 0.000 0.241 230 W C 1.035 177.335 176.519 -0.365 0.000 1.289 230 W CA 0.711 57.937 57.345 -0.198 0.000 1.396 230 W CB -0.593 28.742 29.460 -0.208 0.000 1.138 230 W HN 0.431 nan 8.180 nan 0.000 0.677 231 Q N 0.778 120.195 119.800 -0.639 0.000 2.247 231 Q HA 0.001 4.335 4.340 -0.009 0.000 0.204 231 Q C 1.291 177.005 176.000 -0.477 0.000 0.872 231 Q CA 0.062 55.431 55.803 -0.723 0.000 0.951 231 Q CB 0.186 28.311 28.738 -1.022 0.000 1.099 231 Q HN 0.360 nan 8.270 nan 0.000 0.501 232 E N -0.577 119.398 120.200 -0.375 0.000 2.427 232 E HA -0.101 4.244 4.350 -0.009 0.000 0.196 232 E C 0.671 176.923 176.600 -0.581 0.000 1.028 232 E CA 0.538 56.659 56.400 -0.465 0.000 0.864 232 E CB 0.364 29.780 29.700 -0.475 0.000 0.813 232 E HN 0.357 nan 8.360 nan 0.000 0.514 233 H N -1.891 117.120 119.070 -0.099 0.000 2.672 233 H HA 0.303 4.853 4.556 -0.010 0.000 0.277 233 H C 0.653 175.977 175.328 -0.007 0.000 1.074 233 H CA 0.299 56.328 56.048 -0.032 0.000 1.173 233 H CB 1.083 30.851 29.762 0.010 0.000 1.558 233 H HN 0.065 nan 8.280 nan 0.000 0.539 234 A N 0.837 123.646 122.820 -0.018 0.000 2.379 234 A HA 0.055 4.370 4.320 -0.009 0.000 0.236 234 A C 0.634 178.202 177.584 -0.028 0.000 1.272 234 A CA -0.374 51.662 52.037 -0.002 0.000 0.886 234 A CB -0.333 18.545 19.000 -0.202 0.000 0.962 234 A HN 0.437 nan 8.150 nan 0.000 0.504 235 N N -0.240 118.433 118.700 -0.045 0.000 2.716 235 N HA -0.136 4.599 4.740 -0.009 0.000 0.250 235 N C -0.347 175.169 175.510 0.010 0.000 1.033 235 N CA 0.719 53.770 53.050 0.003 0.000 0.727 235 N CB -1.348 37.191 38.487 0.086 0.000 0.950 235 N HN 0.276 nan 8.380 nan 0.000 0.541 236 V N 1.597 121.393 119.914 -0.196 0.000 2.521 236 V HA 0.160 4.275 4.120 -0.009 0.000 0.286 236 V C -0.752 175.300 176.094 -0.070 0.000 1.034 236 V CA -0.602 61.554 62.300 -0.240 0.000 1.045 236 V CB 0.645 32.127 31.823 -0.567 0.000 0.974 236 V HN 0.190 nan 8.190 nan 0.000 0.480 237 P HA 0.445 nan 4.420 nan 0.000 0.279 237 P C -2.796 174.518 177.300 0.022 0.000 1.276 237 P CA -1.919 61.209 63.100 0.047 0.000 0.801 237 P CB 0.082 31.856 31.700 0.123 0.000 1.127 238 P HA 0.044 nan 4.420 nan 0.000 0.272 238 P C 0.204 177.561 177.300 0.095 0.000 1.230 238 P CA -0.109 63.011 63.100 0.034 0.000 0.788 238 P CB 0.081 31.797 31.700 0.027 0.000 0.949 239 S N 0.902 116.659 115.700 0.096 0.000 2.561 239 S HA 0.056 4.521 4.470 -0.009 0.000 0.294 239 S C 1.449 176.144 174.600 0.159 0.000 1.294 239 S CA 0.165 58.467 58.200 0.169 0.000 1.055 239 S CB -0.283 62.997 63.200 0.133 0.000 0.819 239 S HN 0.477 nan 8.310 nan 0.000 0.503 240 A N 4.733 127.653 122.820 0.167 0.000 2.168 240 A HA 0.081 4.396 4.320 -0.009 0.000 0.215 240 A C 0.922 178.555 177.584 0.083 0.000 1.152 240 A CA 0.215 52.244 52.037 -0.013 0.000 0.716 240 A CB -0.502 18.241 19.000 -0.429 0.000 0.794 240 A HN 0.835 nan 8.150 nan 0.000 0.465 241 N N 1.036 119.819 118.700 0.139 0.000 2.479 241 N HA 0.246 4.980 4.740 -0.009 0.000 0.257 241 N C -2.826 172.724 175.510 0.066 0.000 1.232 241 N CA -1.226 51.893 53.050 0.114 0.000 0.920 241 N CB -0.107 38.431 38.487 0.084 0.000 1.105 241 N HN 0.043 nan 8.380 nan 0.000 0.444 242 P HA 0.080 nan 4.420 nan 0.000 0.265 242 P C 0.870 178.185 177.300 0.026 0.000 1.193 242 P CA 0.528 63.647 63.100 0.032 0.000 0.765 242 P CB 0.389 32.104 31.700 0.024 0.000 0.823 243 G N 1.747 110.559 108.800 0.020 0.000 2.205 243 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.261 243 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.261 243 G C 0.475 175.384 174.900 0.015 0.000 0.980 243 G CA 0.064 45.173 45.100 0.014 0.000 0.632 243 G HN 0.869 nan 8.290 nan 0.000 0.533 244 A N 0.292 123.126 122.820 0.024 0.000 2.440 244 A HA 0.742 5.057 4.320 -0.009 0.000 0.251 244 A C 0.950 178.543 177.584 0.016 0.000 1.089 244 A CA 1.214 53.267 52.037 0.026 0.000 0.779 244 A CB 0.618 19.646 19.000 0.047 0.000 1.022 244 A HN 1.041 nan 8.150 nan 0.000 0.492 245 S N 0.549 116.252 115.700 0.005 0.000 2.596 245 S HA 0.383 4.848 4.470 -0.009 0.000 0.262 245 S C 0.948 175.539 174.600 -0.016 0.000 1.218 245 S CA -0.089 58.105 58.200 -0.010 0.000 0.998 245 S CB 0.466 63.655 63.200 -0.018 0.000 1.060 245 S HN 0.937 nan 8.310 nan 0.000 0.552 246 S N -0.857 114.820 115.700 -0.039 0.000 2.580 246 S HA 0.633 5.098 4.470 -0.009 0.000 0.274 246 S C -0.019 174.543 174.600 -0.064 0.000 1.329 246 S CA -0.064 58.097 58.200 -0.063 0.000 1.036 246 S CB 0.241 63.384 63.200 -0.095 0.000 0.919 246 S HN 0.840 nan 8.310 nan 0.000 0.515 247 G N 2.704 111.458 108.800 -0.078 0.000 2.682 247 G HA2 0.426 4.381 3.960 -0.009 0.000 0.290 247 G HA3 0.426 4.381 3.960 -0.009 0.000 0.290 247 G C -1.261 173.576 174.900 -0.106 0.000 1.425 247 G CA -0.876 44.191 45.100 -0.055 0.000 0.807 247 G HN 0.671 nan 8.290 nan 0.000 0.482 248 R N 0.416 120.876 120.500 -0.067 0.000 2.458 248 R HA 0.256 4.591 4.340 -0.009 0.000 0.303 248 R C 0.513 176.758 176.300 -0.092 0.000 1.013 248 R CA 0.203 56.215 56.100 -0.147 0.000 1.026 248 R CB 0.044 30.299 30.300 -0.076 0.000 0.948 248 R HN 0.646 nan 8.270 nan 0.000 0.417 249 G N 2.827 111.510 108.800 -0.194 0.000 2.415 249 G HA2 0.401 4.356 3.960 -0.009 0.000 0.269 249 G HA3 0.401 4.356 3.960 -0.009 0.000 0.269 249 G C -0.771 174.330 174.900 0.335 0.000 1.209 249 G CA -0.540 44.573 45.100 0.022 0.000 0.835 249 G HN 0.443 nan 8.290 nan 0.000 0.534 250 V N 5.056 125.197 119.914 0.378 0.000 2.555 250 V HA 0.534 4.649 4.120 -0.009 0.000 0.302 250 V C -1.780 174.433 176.094 0.197 0.000 1.038 250 V CA -1.293 61.180 62.300 0.289 0.000 0.887 250 V CB 2.216 34.140 31.823 0.168 0.000 0.991 250 V HN 0.731 nan 8.190 nan 0.000 0.434 251 P HA 0.472 nan 4.420 nan 0.000 0.314 251 P C -0.515 176.982 177.300 0.328 0.000 1.306 251 P CA -0.324 62.890 63.100 0.190 0.000 0.782 251 P CB 2.076 33.828 31.700 0.086 0.000 1.337 252 D N -1.207 119.363 120.400 0.283 0.000 2.338 252 D HA 0.211 4.846 4.640 -0.009 0.000 0.224 252 D C 0.627 176.941 176.300 0.024 0.000 0.967 252 D CA 0.996 55.182 54.000 0.310 0.000 0.896 252 D CB 0.433 41.405 40.800 0.286 0.000 1.028 252 D HN 0.223 nan 8.370 nan 0.000 0.493 253 L N -0.118 121.130 121.223 0.042 0.000 2.327 253 L HA 0.727 5.061 4.340 -0.009 0.000 0.258 253 L C -0.853 176.115 176.870 0.164 0.000 1.024 253 L CA -0.956 53.910 54.840 0.044 0.000 0.825 253 L CB 2.412 44.526 42.059 0.092 0.000 1.386 253 L HN -0.125 nan 8.230 nan 0.000 0.417 254 A N 0.147 123.094 122.820 0.213 0.000 2.594 254 A HA 0.994 5.309 4.320 -0.009 0.000 0.291 254 A C -0.769 176.988 177.584 0.288 0.000 1.105 254 A CA -0.047 52.115 52.037 0.209 0.000 0.694 254 A CB 2.106 21.164 19.000 0.096 0.000 1.291 254 A HN 0.847 nan 8.150 nan 0.000 0.410 255 G N -0.319 108.597 108.800 0.194 0.000 2.559 255 G HA2 0.449 4.403 3.960 -0.009 0.000 0.291 255 G HA3 0.449 4.403 3.960 -0.009 0.000 0.291 255 G C -1.138 173.892 174.900 0.216 0.000 1.424 255 G CA -0.635 44.624 45.100 0.265 0.000 0.786 255 G HN 1.053 nan 8.290 nan 0.000 0.485 256 N N -0.133 118.743 118.700 0.292 0.000 2.374 256 N HA 0.345 5.079 4.740 -0.009 0.000 0.269 256 N C 0.798 176.347 175.510 0.064 0.000 1.310 256 N CA 1.164 54.266 53.050 0.087 0.000 0.877 256 N CB 1.009 39.428 38.487 -0.112 0.000 1.096 256 N HN 0.919 nan 8.380 nan 0.000 0.484 257 A N 2.893 125.647 122.820 -0.110 0.000 2.606 257 A HA 0.102 4.417 4.320 -0.009 0.000 0.230 257 A C 0.154 177.201 177.584 -0.896 0.000 1.279 257 A CA -0.358 51.465 52.037 -0.357 0.000 1.010 257 A CB 0.030 18.805 19.000 -0.374 0.000 1.271 257 A HN 0.645 nan 8.150 nan 0.000 0.584 258 D N 1.366 121.330 120.400 -0.727 0.000 2.401 258 D HA 0.200 4.835 4.640 -0.009 0.000 0.254 258 D C -1.714 174.334 176.300 -0.420 0.000 1.192 258 D CA -1.493 52.033 54.000 -0.790 0.000 0.885 258 D CB 1.387 42.051 40.800 -0.225 0.000 1.147 258 D HN 0.047 nan 8.370 nan 0.000 0.478 259 P HA -0.048 nan 4.420 nan 0.000 0.222 259 P C 0.825 178.074 177.300 -0.084 0.000 1.147 259 P CA 0.759 63.773 63.100 -0.144 0.000 0.790 259 P CB 0.181 31.852 31.700 -0.049 0.000 0.780 260 A N -0.381 122.409 122.820 -0.049 0.000 2.125 260 A HA -0.065 4.250 4.320 -0.009 0.000 0.219 260 A C 1.404 178.941 177.584 -0.079 0.000 1.156 260 A CA 1.878 53.895 52.037 -0.032 0.000 0.671 260 A CB -1.280 17.732 19.000 0.020 0.000 0.794 260 A HN 0.331 nan 8.150 nan 0.000 0.459 261 T N -3.622 110.867 114.554 -0.108 0.000 3.866 261 T HA 0.540 4.885 4.350 -0.009 0.000 0.241 261 T C 0.345 174.948 174.700 -0.161 0.000 1.017 261 T CA 0.169 62.186 62.100 -0.137 0.000 1.300 261 T CB 0.092 68.949 68.868 -0.019 0.000 0.968 261 T HN 0.424 nan 8.240 nan 0.000 0.595 262 G N 0.535 109.222 108.800 -0.188 0.000 2.583 262 G HA2 0.604 4.559 3.960 -0.009 0.000 0.280 262 G HA3 0.604 4.559 3.960 -0.009 0.000 0.280 262 G C -1.295 173.474 174.900 -0.219 0.000 1.376 262 G CA -1.023 43.960 45.100 -0.195 0.000 1.043 262 G HN 0.445 nan 8.290 nan 0.000 0.538 263 Y N -0.033 120.241 120.300 -0.043 0.000 2.330 263 Y HA 0.342 4.893 4.550 0.002 0.000 0.336 263 Y C 0.535 176.423 175.900 -0.020 0.000 1.036 263 Y CA -0.572 57.519 58.100 -0.014 0.000 1.125 263 Y CB 1.447 39.886 38.460 -0.035 0.000 1.194 263 Y HN 0.386 nan 8.280 nan 0.000 0.469 264 E N 3.505 123.795 120.200 0.150 0.000 2.104 264 E HA 0.332 4.676 4.350 -0.009 0.000 0.278 264 E C -0.549 176.154 176.600 0.171 0.000 1.127 264 E CA -0.366 56.103 56.400 0.114 0.000 0.897 264 E CB 0.442 30.197 29.700 0.091 0.000 1.043 264 E HN 0.477 nan 8.360 nan 0.000 0.410 265 V N 0.013 119.951 119.914 0.041 0.000 3.164 265 V HA 0.618 4.733 4.120 -0.009 0.000 0.313 265 V C -0.242 175.744 176.094 -0.180 0.000 1.188 265 V CA -1.058 61.135 62.300 -0.178 0.000 1.058 265 V CB 1.928 33.590 31.823 -0.269 0.000 1.110 265 V HN 0.226 nan 8.190 nan 0.000 0.453 266 V N 2.462 122.126 119.914 -0.417 0.000 2.409 266 V HA 0.529 4.644 4.120 -0.009 0.000 0.291 266 V C -0.586 175.379 176.094 -0.215 0.000 1.020 266 V CA -0.265 61.916 62.300 -0.200 0.000 0.848 266 V CB 1.320 33.087 31.823 -0.093 0.000 0.990 266 V HN 0.667 nan 8.190 nan 0.000 0.430 267 I N 3.715 124.212 120.570 -0.122 0.000 2.389 267 I HA 0.422 4.587 4.170 -0.009 0.000 0.288 267 I C 0.056 176.145 176.117 -0.047 0.000 0.999 267 I CA -0.328 60.919 61.300 -0.089 0.000 1.129 267 I CB 1.581 39.537 38.000 -0.073 0.000 1.288 267 I HN 0.627 nan 8.210 nan 0.000 0.444 268 D N 5.335 125.718 120.400 -0.029 0.000 2.686 268 D HA -0.188 4.447 4.640 -0.009 0.000 0.235 268 D C 1.299 177.591 176.300 -0.014 0.000 1.160 268 D CA 1.531 55.524 54.000 -0.012 0.000 0.645 268 D CB -0.787 40.009 40.800 -0.007 0.000 1.039 268 D HN 1.153 nan 8.370 nan 0.000 0.423 269 G N 0.182 108.972 108.800 -0.017 0.000 2.175 269 G HA2 -0.347 3.608 3.960 -0.009 0.000 0.265 269 G HA3 -0.347 3.608 3.960 -0.009 0.000 0.265 269 G C 0.129 175.023 174.900 -0.011 0.000 0.979 269 G CA 0.991 46.084 45.100 -0.010 0.000 0.663 269 G HN 0.748 nan 8.290 nan 0.000 0.533 270 E N -0.125 120.063 120.200 -0.019 0.000 2.183 270 E HA 0.738 5.083 4.350 -0.009 0.000 0.271 270 E C 0.174 176.762 176.600 -0.020 0.000 0.919 270 E CA -0.550 55.840 56.400 -0.016 0.000 0.781 270 E CB 1.746 31.436 29.700 -0.015 0.000 1.140 270 E HN 0.842 nan 8.360 nan 0.000 0.402 271 A N 3.179 125.995 122.820 -0.008 0.000 2.454 271 A HA 0.422 4.737 4.320 -0.009 0.000 0.260 271 A C 0.058 177.636 177.584 -0.010 0.000 1.106 271 A CA 0.233 52.269 52.037 -0.001 0.000 0.780 271 A CB 0.724 19.730 19.000 0.009 0.000 1.044 271 A HN 0.686 nan 8.150 nan 0.000 0.498 272 T N 0.911 115.456 114.554 -0.014 0.000 2.731 272 T HA 0.541 4.885 4.350 -0.009 0.000 0.300 272 T C -1.545 173.146 174.700 -0.015 0.000 1.283 272 T CA -0.311 61.778 62.100 -0.018 0.000 1.005 272 T CB 1.145 69.998 68.868 -0.025 0.000 1.420 272 T HN 0.754 nan 8.240 nan 0.000 0.503 273 V N 2.971 122.875 119.914 -0.018 0.000 2.487 273 V HA 0.672 4.787 4.120 -0.009 0.000 0.298 273 V C -0.692 175.396 176.094 -0.010 0.000 1.028 273 V CA -0.700 61.592 62.300 -0.013 0.000 0.860 273 V CB 1.513 33.316 31.823 -0.034 0.000 0.991 273 V HN 0.675 nan 8.190 nan 0.000 0.427 274 I N 2.742 123.321 120.570 0.014 0.000 2.865 274 I HA 0.740 4.905 4.170 -0.009 0.000 0.302 274 I C 0.529 176.669 176.117 0.037 0.000 1.140 274 I CA -0.139 61.161 61.300 0.000 0.000 1.021 274 I CB 2.335 40.317 38.000 -0.030 0.000 1.233 274 I HN 0.740 nan 8.210 nan 0.000 0.427 275 G N 1.822 110.595 108.800 -0.045 0.000 3.264 275 G HA2 0.805 4.760 3.960 -0.009 0.000 0.168 275 G HA3 0.805 4.760 3.960 -0.009 0.000 0.168 275 G C -0.259 174.517 174.900 -0.207 0.000 1.145 275 G CA -0.496 44.537 45.100 -0.111 0.000 0.855 275 G HN 1.166 nan 8.290 nan 0.000 0.629 276 G N -2.382 106.143 108.800 -0.458 0.000 2.619 276 G HA2 0.285 4.240 3.960 -0.009 0.000 0.686 276 G HA3 0.285 4.240 3.960 -0.009 0.000 0.686 276 G C 0.780 175.574 174.900 -0.177 0.000 1.256 276 G CA 0.604 45.522 45.100 -0.305 0.000 0.826 276 G HN 1.725 nan 8.290 nan 0.000 0.619 277 T N -1.615 112.960 114.554 0.035 0.000 3.007 277 T HA 0.026 4.371 4.350 -0.009 0.000 0.270 277 T C 2.435 177.111 174.700 -0.039 0.000 1.107 277 T CA 2.090 64.217 62.100 0.044 0.000 1.118 277 T CB -0.138 68.819 68.868 0.148 0.000 0.889 277 T HN 0.952 nan 8.240 nan 0.000 0.506 278 S N 1.908 117.568 115.700 -0.066 0.000 2.392 278 S HA -0.115 4.350 4.470 -0.009 0.000 0.232 278 S C 2.437 176.935 174.600 -0.171 0.000 1.041 278 S CA 1.342 59.466 58.200 -0.127 0.000 1.026 278 S CB -0.726 62.371 63.200 -0.171 0.000 0.845 278 S HN 0.838 nan 8.310 nan 0.000 0.465 279 A N 0.240 122.922 122.820 -0.229 0.000 2.072 279 A HA 0.141 4.456 4.320 -0.009 0.000 0.216 279 A C 2.150 179.535 177.584 -0.331 0.000 1.156 279 A CA 0.654 52.468 52.037 -0.373 0.000 0.701 279 A CB -0.276 18.319 19.000 -0.675 0.000 0.816 279 A HN 0.365 nan 8.150 nan 0.000 0.458 280 V N -0.273 119.490 119.914 -0.251 0.000 2.488 280 V HA -0.136 3.979 4.120 -0.009 0.000 0.246 280 V C 2.973 178.834 176.094 -0.388 0.000 1.046 280 V CA 1.547 63.623 62.300 -0.374 0.000 1.053 280 V CB -1.120 30.514 31.823 -0.316 0.000 0.679 280 V HN 0.548 nan 8.190 nan 0.000 0.458 281 A N 1.023 123.736 122.820 -0.178 0.000 1.883 281 A HA -0.109 4.205 4.320 -0.009 0.000 0.217 281 A C 0.573 178.150 177.584 -0.011 0.000 1.186 281 A CA 2.057 54.061 52.037 -0.055 0.000 0.624 281 A CB -1.937 17.066 19.000 0.005 0.000 0.822 281 A HN 0.539 nan 8.150 nan 0.000 0.444 282 P HA -0.141 nan 4.420 nan 0.000 0.216 282 P C 1.656 178.995 177.300 0.065 0.000 1.150 282 P CA 0.923 64.038 63.100 0.025 0.000 0.837 282 P CB -0.134 31.541 31.700 -0.041 0.000 0.786 283 L N -1.246 119.966 121.223 -0.019 0.000 1.994 283 L HA -0.127 4.208 4.340 -0.009 0.000 0.208 283 L C 2.085 179.210 176.870 0.426 0.000 1.071 283 L CA 2.129 57.046 54.840 0.129 0.000 0.745 283 L CB -1.440 40.590 42.059 -0.048 0.000 0.892 283 L HN -0.172 nan 8.230 nan 0.000 0.431 284 F N 0.061 120.132 119.950 0.202 0.000 2.407 284 F HA 0.120 4.676 4.527 0.047 0.000 0.299 284 F C 2.520 178.362 175.800 0.070 0.000 1.097 284 F CA 0.330 58.412 58.000 0.137 0.000 1.422 284 F CB -1.803 37.247 39.000 0.083 0.000 1.067 284 F HN 0.230 nan 8.300 nan 0.000 0.539 285 A N 0.177 123.149 122.820 0.253 0.000 1.972 285 A HA -0.006 4.309 4.320 -0.009 0.000 0.219 285 A C 2.487 180.160 177.584 0.149 0.000 1.169 285 A CA 1.632 53.768 52.037 0.165 0.000 0.635 285 A CB -0.994 18.096 19.000 0.151 0.000 0.810 285 A HN 0.255 nan 8.150 nan 0.000 0.446 286 A N -0.615 122.335 122.820 0.217 0.000 1.929 286 A HA 0.070 4.385 4.320 -0.009 0.000 0.216 286 A C 2.063 179.692 177.584 0.075 0.000 1.176 286 A CA 1.515 53.678 52.037 0.211 0.000 0.628 286 A CB -0.519 18.680 19.000 0.333 0.000 0.816 286 A HN 0.604 nan 8.150 nan 0.000 0.444 287 L N 0.146 121.353 121.223 -0.028 0.000 1.989 287 L HA -0.127 4.208 4.340 -0.009 0.000 0.211 287 L C 2.363 179.092 176.870 -0.234 0.000 1.071 287 L CA 2.104 56.676 54.840 -0.447 0.000 0.749 287 L CB -0.703 40.997 42.059 -0.599 0.000 0.890 287 L HN 0.153 nan 8.230 nan 0.000 0.431 288 V N 0.092 119.945 119.914 -0.102 0.000 2.490 288 V HA -0.263 3.852 4.120 -0.009 0.000 0.250 288 V C 2.775 178.830 176.094 -0.065 0.000 1.061 288 V CA 1.479 63.731 62.300 -0.080 0.000 1.064 288 V CB -1.360 30.446 31.823 -0.028 0.000 0.670 288 V HN 0.621 nan 8.190 nan 0.000 0.461 289 A N 0.026 122.822 122.820 -0.041 0.000 1.930 289 A HA -0.180 4.134 4.320 -0.009 0.000 0.217 289 A C 2.388 179.942 177.584 -0.049 0.000 1.175 289 A CA 1.479 53.491 52.037 -0.042 0.000 0.627 289 A CB -0.419 18.561 19.000 -0.034 0.000 0.815 289 A HN 0.506 nan 8.150 nan 0.000 0.443 290 R N -0.504 119.961 120.500 -0.057 0.000 2.096 290 R HA -0.026 4.309 4.340 -0.009 0.000 0.235 290 R C 1.947 178.203 176.300 -0.073 0.000 1.127 290 R CA 1.503 57.569 56.100 -0.057 0.000 0.968 290 R CB -0.481 29.778 30.300 -0.069 0.000 0.861 290 R HN 0.564 nan 8.270 nan 0.000 0.440 291 I N 1.296 121.805 120.570 -0.102 0.000 2.163 291 I HA -0.274 3.891 4.170 -0.009 0.000 0.240 291 I C 1.712 177.787 176.117 -0.069 0.000 1.081 291 I CA 1.105 62.348 61.300 -0.095 0.000 1.353 291 I CB -0.413 37.515 38.000 -0.120 0.000 1.054 291 I HN 0.138 nan 8.210 nan 0.000 0.407 292 N N 0.736 119.400 118.700 -0.061 0.000 2.137 292 N HA -0.272 4.462 4.740 -0.009 0.000 0.190 292 N C 1.757 177.242 175.510 -0.042 0.000 1.017 292 N CA 1.342 54.363 53.050 -0.048 0.000 0.859 292 N CB -0.467 37.994 38.487 -0.044 0.000 1.002 292 N HN 0.513 nan 8.380 nan 0.000 0.428 293 Q N 0.848 120.623 119.800 -0.042 0.000 2.050 293 Q HA -0.178 4.157 4.340 -0.009 0.000 0.202 293 Q C 1.866 177.846 176.000 -0.032 0.000 0.980 293 Q CA 1.556 57.338 55.803 -0.035 0.000 0.840 293 Q CB -0.019 28.700 28.738 -0.031 0.000 0.898 293 Q HN 0.006 nan 8.270 nan 0.000 0.424 294 K N 0.752 121.130 120.400 -0.037 0.000 2.032 294 K HA -0.110 4.205 4.320 -0.009 0.000 0.209 294 K C 1.960 178.540 176.600 -0.034 0.000 1.048 294 K CA 1.599 57.866 56.287 -0.034 0.000 0.927 294 K CB -0.487 31.989 32.500 -0.040 0.000 0.712 294 K HN 0.372 nan 8.250 nan 0.000 0.441 295 L N -1.010 120.190 121.223 -0.039 0.000 2.376 295 L HA 0.085 4.420 4.340 -0.009 0.000 0.219 295 L C 1.386 178.238 176.870 -0.029 0.000 1.133 295 L CA 0.688 55.507 54.840 -0.035 0.000 0.816 295 L CB -0.522 41.512 42.059 -0.040 0.000 0.933 295 L HN 0.593 nan 8.230 nan 0.000 0.449 296 G N 0.368 109.152 108.800 -0.028 0.000 2.148 296 G HA2 -0.280 3.675 3.960 -0.009 0.000 0.254 296 G HA3 -0.280 3.675 3.960 -0.009 0.000 0.254 296 G C 0.175 175.062 174.900 -0.022 0.000 0.981 296 G CA 0.347 45.433 45.100 -0.023 0.000 0.670 296 G HN 0.334 nan 8.290 nan 0.000 0.528 297 K N -0.701 119.684 120.400 -0.025 0.000 2.578 297 K HA 0.612 4.927 4.320 -0.009 0.000 0.269 297 K C -0.497 176.088 176.600 -0.026 0.000 0.941 297 K CA -0.083 56.191 56.287 -0.022 0.000 0.847 297 K CB 1.531 34.019 32.500 -0.020 0.000 1.397 297 K HN 0.858 nan 8.250 nan 0.000 0.422 298 A N 2.219 125.026 122.820 -0.022 0.000 2.409 298 A HA 0.262 4.577 4.320 -0.009 0.000 0.262 298 A C 1.143 178.716 177.584 -0.020 0.000 1.113 298 A CA -0.141 51.883 52.037 -0.022 0.000 0.790 298 A CB 0.199 19.189 19.000 -0.018 0.000 1.046 298 A HN 0.594 nan 8.150 nan 0.000 0.496 299 V N 1.979 121.877 119.914 -0.026 0.000 3.041 299 V HA 0.360 4.474 4.120 -0.009 0.000 0.260 299 V C 1.461 177.549 176.094 -0.009 0.000 1.105 299 V CA 1.010 63.293 62.300 -0.029 0.000 1.125 299 V CB -2.050 29.744 31.823 -0.049 0.000 0.730 299 V HN 2.247 nan 8.190 nan 0.000 0.479 300 G N 0.237 109.040 108.800 0.006 0.000 2.596 300 G HA2 -0.403 3.552 3.960 -0.009 0.000 0.295 300 G HA3 -0.403 3.552 3.960 -0.009 0.000 0.295 300 G C -0.175 174.777 174.900 0.086 0.000 1.240 300 G CA 0.693 45.818 45.100 0.042 0.000 0.985 300 G HN 0.970 nan 8.290 nan 0.000 0.555 301 Y N 1.878 122.154 120.300 -0.039 0.000 2.650 301 Y HA 0.467 5.005 4.550 -0.019 0.000 0.342 301 Y C 1.534 177.368 175.900 -0.111 0.000 1.110 301 Y CA -0.013 58.053 58.100 -0.057 0.000 1.438 301 Y CB 0.060 38.511 38.460 -0.015 0.000 1.181 301 Y HN 0.410 nan 8.280 nan 0.000 0.526 302 L N 4.379 125.426 121.223 -0.292 0.000 2.556 302 L HA -0.016 4.319 4.340 -0.009 0.000 0.226 302 L C 1.493 177.997 176.870 -0.609 0.000 1.089 302 L CA 0.054 54.672 54.840 -0.370 0.000 0.864 302 L CB -0.018 41.928 42.059 -0.188 0.000 1.067 302 L HN 0.500 nan 8.230 nan 0.000 0.477 303 N N 0.817 118.919 118.700 -0.998 0.000 2.069 303 N HA -0.151 4.584 4.740 -0.009 0.000 0.191 303 N C -0.903 173.955 175.510 -1.086 0.000 1.031 303 N CA 1.483 53.913 53.050 -1.033 0.000 0.852 303 N CB -1.467 36.089 38.487 -1.551 0.000 1.018 303 N HN 0.188 nan 8.380 nan 0.000 0.423 304 P HA -0.050 nan 4.420 nan 0.000 0.215 304 P C 1.283 178.408 177.300 -0.291 0.000 1.157 304 P CA 1.586 64.250 63.100 -0.726 0.000 0.868 304 P CB -0.099 31.265 31.700 -0.560 0.000 0.788 305 T N -0.207 114.182 114.554 -0.276 0.000 2.746 305 T HA -0.101 4.244 4.350 -0.009 0.000 0.267 305 T C 1.749 176.417 174.700 -0.054 0.000 1.039 305 T CA 1.074 63.097 62.100 -0.129 0.000 1.142 305 T CB -1.012 67.776 68.868 -0.134 0.000 0.866 305 T HN 0.047 nan 8.240 nan 0.000 0.444 306 L N -0.480 120.696 121.223 -0.078 0.000 2.079 306 L HA -0.130 4.205 4.340 -0.009 0.000 0.210 306 L C 2.086 178.953 176.870 -0.005 0.000 1.081 306 L CA 1.507 56.349 54.840 0.004 0.000 0.752 306 L CB -0.559 41.444 42.059 -0.092 0.000 0.896 306 L HN 0.306 nan 8.230 nan 0.000 0.433 307 Y N -0.248 120.025 120.300 -0.046 0.000 2.490 307 Y HA -0.107 4.433 4.550 -0.016 0.000 0.281 307 Y C 2.417 178.345 175.900 0.048 0.000 1.174 307 Y CA 0.478 58.594 58.100 0.026 0.000 1.295 307 Y CB -0.128 38.394 38.460 0.103 0.000 1.062 307 Y HN 0.354 nan 8.280 nan 0.000 0.522 308 Q N -0.633 119.252 119.800 0.142 0.000 2.352 308 Q HA 0.167 4.502 4.340 -0.009 0.000 0.212 308 Q C -0.031 176.004 176.000 0.057 0.000 0.888 308 Q CA 0.325 56.177 55.803 0.082 0.000 0.934 308 Q CB -0.043 28.720 28.738 0.043 0.000 1.093 308 Q HN 0.300 nan 8.270 nan 0.000 0.523 309 L N 2.548 123.817 121.223 0.077 0.000 2.452 309 L HA 0.330 4.665 4.340 -0.009 0.000 0.267 309 L C -1.834 175.083 176.870 0.078 0.000 1.188 309 L CA -2.240 52.635 54.840 0.059 0.000 0.821 309 L CB -0.049 42.042 42.059 0.053 0.000 1.102 309 L HN 0.107 nan 8.230 nan 0.000 0.470 310 P HA -0.027 nan 4.420 nan 0.000 0.266 310 P C -0.014 177.327 177.300 0.067 0.000 1.193 310 P CA -0.008 63.105 63.100 0.022 0.000 0.770 310 P CB 0.694 32.381 31.700 -0.022 0.000 0.836 311 A N 2.918 125.792 122.820 0.091 0.000 2.067 311 A HA -0.160 4.155 4.320 -0.009 0.000 0.219 311 A C 1.457 179.116 177.584 0.124 0.000 1.158 311 A CA 1.553 53.689 52.037 0.165 0.000 0.661 311 A CB -0.969 18.093 19.000 0.103 0.000 0.801 311 A HN 0.643 nan 8.150 nan 0.000 0.452 312 D N -0.342 120.070 120.400 0.020 0.000 2.363 312 D HA -0.014 4.621 4.640 -0.009 0.000 0.226 312 D C 1.203 177.432 176.300 -0.119 0.000 1.020 312 D CA 0.681 54.669 54.000 -0.021 0.000 0.892 312 D CB -0.588 40.198 40.800 -0.023 0.000 0.900 312 D HN 0.207 nan 8.370 nan 0.000 0.531 313 V N -0.525 119.228 119.914 -0.269 0.000 2.809 313 V HA 0.015 4.130 4.120 -0.009 0.000 0.256 313 V C 0.422 176.050 176.094 -0.778 0.000 1.080 313 V CA 0.809 62.758 62.300 -0.585 0.000 1.102 313 V CB -0.708 30.604 31.823 -0.851 0.000 0.705 313 V HN 0.045 nan 8.190 nan 0.000 0.475 314 F N -1.456 118.454 119.950 -0.067 0.000 2.507 314 F HA 0.467 4.985 4.527 -0.014 0.000 0.327 314 F C 0.390 176.186 175.800 -0.007 0.000 1.068 314 F CA -1.034 56.926 58.000 -0.067 0.000 0.965 314 F CB 0.681 39.618 39.000 -0.105 0.000 1.192 314 F HN -0.126 nan 8.300 nan 0.000 0.476 315 H N 2.412 121.542 119.070 0.100 0.000 2.846 315 H HA 0.075 4.623 4.556 -0.012 0.000 0.278 315 H C -0.971 174.397 175.328 0.066 0.000 1.117 315 H CA -0.519 55.570 56.048 0.068 0.000 1.406 315 H CB 0.525 30.324 29.762 0.061 0.000 1.445 315 H HN 0.579 nan 8.280 nan 0.000 0.469 316 D N 5.000 125.219 120.400 -0.301 0.000 2.383 316 D HA 0.074 4.709 4.640 -0.009 0.000 0.252 316 D C -0.259 175.887 176.300 -0.256 0.000 1.166 316 D CA -0.233 53.639 54.000 -0.212 0.000 0.879 316 D CB 0.475 41.184 40.800 -0.152 0.000 1.164 316 D HN 0.428 nan 8.370 nan 0.000 0.462 317 I N 2.549 123.051 120.570 -0.113 0.000 2.353 317 I HA 0.181 4.346 4.170 -0.009 0.000 0.293 317 I C 1.489 177.570 176.117 -0.060 0.000 0.992 317 I CA 0.038 61.309 61.300 -0.048 0.000 1.268 317 I CB 1.803 39.813 38.000 0.016 0.000 1.387 317 I HN 0.500 nan 8.210 nan 0.000 0.478 318 T N 0.435 114.967 114.554 -0.036 0.000 3.087 318 T HA 0.256 4.601 4.350 -0.009 0.000 0.283 318 T C 0.154 174.848 174.700 -0.009 0.000 0.956 318 T CA -0.366 61.715 62.100 -0.030 0.000 0.894 318 T CB -0.139 68.711 68.868 -0.029 0.000 1.160 318 T HN 0.564 nan 8.240 nan 0.000 0.532 319 E N 0.653 120.857 120.200 0.007 0.000 2.210 319 E HA 0.587 4.932 4.350 -0.009 0.000 0.266 319 E C 0.087 176.702 176.600 0.025 0.000 0.883 319 E CA -0.382 56.029 56.400 0.018 0.000 0.761 319 E CB 1.253 30.970 29.700 0.028 0.000 1.156 319 E HN 0.528 nan 8.360 nan 0.000 0.412 320 G N 2.713 111.524 108.800 0.019 0.000 2.462 320 G HA2 0.002 3.957 3.960 -0.009 0.000 0.685 320 G HA3 0.002 3.957 3.960 -0.009 0.000 0.685 320 G C -1.303 173.605 174.900 0.013 0.000 1.295 320 G CA -0.420 44.693 45.100 0.023 0.000 0.941 320 G HN 1.053 nan 8.290 nan 0.000 0.554 321 N N -1.563 117.143 118.700 0.010 0.000 2.732 321 N HA 0.623 5.357 4.740 -0.009 0.000 0.259 321 N C -0.006 175.503 175.510 -0.001 0.000 1.402 321 N CA -0.258 52.796 53.050 0.006 0.000 0.829 321 N CB 1.290 39.775 38.487 -0.003 0.000 1.495 321 N HN 0.823 nan 8.380 nan 0.000 0.511 322 N N -0.868 117.839 118.700 0.011 0.000 2.389 322 N HA 0.103 4.838 4.740 -0.009 0.000 0.260 322 N C -1.190 174.322 175.510 0.002 0.000 1.191 322 N CA -0.244 52.799 53.050 -0.011 0.000 0.885 322 N CB -0.018 38.479 38.487 0.016 0.000 1.162 322 N HN 0.620 nan 8.380 nan 0.000 0.512 323 D N 1.284 121.685 120.400 0.002 0.000 2.313 323 D HA 0.158 4.793 4.640 -0.009 0.000 0.239 323 D C 1.051 177.353 176.300 0.003 0.000 1.142 323 D CA -0.486 53.533 54.000 0.032 0.000 0.847 323 D CB 1.015 41.833 40.800 0.029 0.000 1.082 323 D HN 0.434 nan 8.370 nan 0.000 0.480 324 I N 0.751 121.325 120.570 0.006 0.000 4.081 324 I HA 0.393 4.557 4.170 -0.009 0.000 0.333 324 I C 1.105 177.221 176.117 -0.003 0.000 1.413 324 I CA -0.452 60.835 61.300 -0.021 0.000 1.110 324 I CB 0.820 38.787 38.000 -0.056 0.000 1.082 324 I HN 0.211 nan 8.210 nan 0.000 0.402 325 A N 1.602 124.432 122.820 0.016 0.000 2.035 325 A HA 0.325 4.639 4.320 -0.009 0.000 0.208 325 A C 0.739 178.320 177.584 -0.005 0.000 1.206 325 A CA 1.069 53.105 52.037 -0.002 0.000 0.773 325 A CB -0.235 18.749 19.000 -0.026 0.000 0.878 325 A HN 0.680 nan 8.150 nan 0.000 0.469 326 N N -2.688 116.022 118.700 0.017 0.000 3.449 326 N HA 0.288 5.023 4.740 -0.009 0.000 0.312 326 N C -0.469 175.053 175.510 0.019 0.000 1.582 326 N CA -0.756 52.302 53.050 0.014 0.000 0.850 326 N CB 0.249 38.744 38.487 0.014 0.000 1.822 326 N HN -0.087 nan 8.380 nan 0.000 0.577 327 R N -0.935 119.574 120.500 0.015 0.000 2.466 327 R HA 0.410 4.744 4.340 -0.009 0.000 0.279 327 R C 0.349 176.652 176.300 0.005 0.000 0.976 327 R CA 0.328 56.433 56.100 0.008 0.000 1.081 327 R CB 0.164 30.466 30.300 0.004 0.000 1.215 327 R HN 0.641 nan 8.270 nan 0.000 0.546 328 A N 0.611 123.438 122.820 0.012 0.000 2.218 328 A HA -0.039 4.276 4.320 -0.009 0.000 0.209 328 A C 0.490 178.049 177.584 -0.041 0.000 1.168 328 A CA 0.162 52.195 52.037 -0.006 0.000 0.804 328 A CB 0.098 19.107 19.000 0.014 0.000 0.834 328 A HN 0.417 nan 8.150 nan 0.000 0.482 329 Q N -1.464 118.315 119.800 -0.035 0.000 2.470 329 Q HA -0.165 4.170 4.340 -0.009 0.000 0.294 329 Q C -0.978 174.951 176.000 -0.117 0.000 1.356 329 Q CA 0.677 56.449 55.803 -0.050 0.000 0.805 329 Q CB -1.816 26.902 28.738 -0.034 0.000 1.157 329 Q HN 0.702 nan 8.270 nan 0.000 0.431 330 I N 1.046 121.497 120.570 -0.200 0.000 2.330 330 I HA 0.354 4.519 4.170 -0.009 0.000 0.289 330 I C -0.008 175.874 176.117 -0.392 0.000 1.001 330 I CA -0.569 60.415 61.300 -0.526 0.000 1.193 330 I CB 0.629 38.023 38.000 -1.009 0.000 1.345 330 I HN 0.036 nan 8.210 nan 0.000 0.461 331 Y N 4.122 124.335 120.300 -0.145 0.000 2.488 331 Y HA 0.455 5.002 4.550 -0.005 0.000 0.325 331 Y C 0.353 176.201 175.900 -0.087 0.000 1.204 331 Y CA -0.628 57.394 58.100 -0.131 0.000 1.229 331 Y CB 1.030 39.422 38.460 -0.112 0.000 1.274 331 Y HN 0.415 nan 8.280 nan 0.000 0.493 332 Q N 0.970 120.824 119.800 0.090 0.000 2.245 332 Q HA 0.639 4.974 4.340 -0.009 0.000 0.256 332 Q C -0.678 175.327 176.000 0.008 0.000 0.942 332 Q CA -0.908 54.914 55.803 0.031 0.000 0.896 332 Q CB 2.022 30.769 28.738 0.015 0.000 1.272 332 Q HN 0.813 nan 8.270 nan 0.000 0.442 333 A N 1.222 124.034 122.820 -0.014 0.000 2.313 333 A HA 0.808 5.123 4.320 -0.009 0.000 0.261 333 A C 0.154 177.719 177.584 -0.031 0.000 1.090 333 A CA 0.464 52.471 52.037 -0.050 0.000 0.807 333 A CB 0.695 19.667 19.000 -0.047 0.000 1.055 333 A HN 0.782 nan 8.150 nan 0.000 0.492 334 G N -0.980 107.794 108.800 -0.043 0.000 2.600 334 G HA2 0.601 4.556 3.960 -0.009 0.000 0.293 334 G HA3 0.601 4.556 3.960 -0.009 0.000 0.293 334 G C -3.450 171.438 174.900 -0.019 0.000 1.408 334 G CA -1.005 44.087 45.100 -0.015 0.000 0.782 334 G HN 0.494 nan 8.290 nan 0.000 0.482 335 P HA 0.433 nan 4.420 nan 0.000 0.268 335 P C 0.807 178.116 177.300 0.015 0.000 1.204 335 P CA 1.670 64.768 63.100 -0.004 0.000 0.768 335 P CB 0.942 32.647 31.700 0.007 0.000 0.842 336 G N 2.178 110.981 108.800 0.005 0.000 2.660 336 G HA2 -0.210 3.744 3.960 -0.009 0.000 0.215 336 G HA3 -0.210 3.744 3.960 -0.009 0.000 0.215 336 G C -1.070 173.855 174.900 0.042 0.000 1.345 336 G CA -0.605 44.520 45.100 0.043 0.000 0.877 336 G HN 0.593 nan 8.290 nan 0.000 0.549 337 W N 2.348 123.616 121.300 -0.053 0.000 2.257 337 W HA 0.434 5.085 4.660 -0.016 0.000 0.337 337 W C 0.648 177.154 176.519 -0.020 0.000 1.321 337 W CA 1.378 58.695 57.345 -0.046 0.000 1.267 337 W CB 0.242 29.721 29.460 0.032 0.000 1.187 337 W HN 0.938 nan 8.180 nan 0.000 0.565 338 D N 3.889 123.785 120.400 -0.840 0.000 2.583 338 D HA 0.359 4.993 4.640 -0.009 0.000 0.248 338 D C -2.608 172.836 176.300 -1.426 0.000 1.209 338 D CA -1.875 51.681 54.000 -0.740 0.000 0.848 338 D CB 1.767 42.382 40.800 -0.309 0.000 1.431 338 D HN 0.024 nan 8.370 nan 0.000 0.436 339 P HA 0.180 nan 4.420 nan 0.000 0.256 339 P C 0.044 177.130 177.300 -0.356 0.000 1.335 339 P CA 0.157 62.888 63.100 -0.614 0.000 0.808 339 P CB -0.074 31.290 31.700 -0.560 0.000 1.305 340 C N -2.622 116.486 119.300 -0.319 0.000 2.628 340 C HA 0.133 4.588 4.460 -0.009 0.000 0.393 340 C C 1.891 176.794 174.990 -0.145 0.000 1.328 340 C CA 1.065 59.996 59.018 -0.145 0.000 2.079 340 C CB -0.728 26.972 27.740 -0.066 0.000 2.663 340 C HN 0.288 nan 8.230 nan 0.000 0.557 341 T N -2.588 111.815 114.554 -0.252 0.000 3.087 341 T HA 0.484 4.829 4.350 -0.009 0.000 0.283 341 T C 1.134 175.657 174.700 -0.294 0.000 0.956 341 T CA 1.091 63.085 62.100 -0.177 0.000 0.894 341 T CB 0.198 69.007 68.868 -0.099 0.000 1.160 341 T HN 0.870 nan 8.240 nan 0.000 0.532 342 G N 2.857 111.295 108.800 -0.602 0.000 2.622 342 G HA2 -0.328 3.626 3.960 -0.009 0.000 0.307 342 G HA3 -0.328 3.626 3.960 -0.009 0.000 0.307 342 G C 0.620 175.160 174.900 -0.599 0.000 1.226 342 G CA 0.411 45.033 45.100 -0.796 0.000 0.997 342 G HN 0.539 nan 8.290 nan 0.000 0.551 343 L N 2.642 123.634 121.223 -0.385 0.000 2.552 343 L HA 0.449 4.783 4.340 -0.009 0.000 0.227 343 L C 1.755 178.383 176.870 -0.404 0.000 1.146 343 L CA 1.019 55.543 54.840 -0.528 0.000 0.858 343 L CB -0.933 40.432 42.059 -1.156 0.000 0.969 343 L HN 1.840 nan 8.230 nan 0.000 0.451 344 G N -0.452 108.198 108.800 -0.250 0.000 2.396 344 G HA2 -0.170 3.785 3.960 -0.009 0.000 0.254 344 G HA3 -0.170 3.785 3.960 -0.009 0.000 0.254 344 G C -0.514 174.379 174.900 -0.011 0.000 1.248 344 G CA -0.335 44.714 45.100 -0.085 0.000 1.033 344 G HN 0.196 nan 8.290 nan 0.000 0.502 345 S N 1.295 117.021 115.700 0.043 0.000 2.525 345 S HA 0.734 5.198 4.470 -0.009 0.000 0.278 345 S C -2.293 172.253 174.600 -0.089 0.000 1.234 345 S CA -0.850 57.284 58.200 -0.110 0.000 1.058 345 S CB 2.063 65.052 63.200 -0.351 0.000 0.983 345 S HN 0.714 nan 8.310 nan 0.000 0.495 346 P HA 0.298 nan 4.420 nan 0.000 0.276 346 P C -0.773 176.412 177.300 -0.191 0.000 1.230 346 P CA -0.390 62.580 63.100 -0.216 0.000 0.776 346 P CB 0.364 31.793 31.700 -0.451 0.000 0.888 347 I N 2.621 123.088 120.570 -0.171 0.000 2.287 347 I HA 0.168 4.333 4.170 -0.009 0.000 0.290 347 I C 1.934 177.984 176.117 -0.112 0.000 1.069 347 I CA -0.259 60.998 61.300 -0.072 0.000 1.237 347 I CB 0.536 38.501 38.000 -0.058 0.000 1.418 347 I HN 0.433 nan 8.210 nan 0.000 0.481 348 G N 5.193 113.977 108.800 -0.027 0.000 2.599 348 G HA2 -0.276 3.679 3.960 -0.009 0.000 0.219 348 G HA3 -0.276 3.679 3.960 -0.009 0.000 0.219 348 G C 1.529 176.366 174.900 -0.105 0.000 1.193 348 G CA 1.602 46.646 45.100 -0.093 0.000 0.778 348 G HN 0.590 nan 8.290 nan 0.000 0.589 349 V N -1.289 118.598 119.914 -0.044 0.000 2.594 349 V HA -0.011 4.104 4.120 -0.009 0.000 0.253 349 V C 2.568 178.609 176.094 -0.089 0.000 1.069 349 V CA 2.144 64.411 62.300 -0.054 0.000 1.082 349 V CB -0.602 31.208 31.823 -0.022 0.000 0.680 349 V HN 0.331 nan 8.190 nan 0.000 0.469 350 R N -0.394 120.037 120.500 -0.115 0.000 2.127 350 R HA 0.193 4.528 4.340 -0.009 0.000 0.217 350 R C 2.169 178.348 176.300 -0.201 0.000 1.074 350 R CA 1.167 57.177 56.100 -0.150 0.000 0.991 350 R CB -0.393 29.807 30.300 -0.167 0.000 0.895 350 R HN 0.487 nan 8.270 nan 0.000 0.450 351 L N 0.953 122.031 121.223 -0.242 0.000 2.027 351 L HA -0.100 4.235 4.340 -0.009 0.000 0.206 351 L C 1.955 178.717 176.870 -0.181 0.000 1.074 351 L CA 1.497 56.182 54.840 -0.259 0.000 0.745 351 L CB -0.566 41.322 42.059 -0.284 0.000 0.898 351 L HN 0.125 nan 8.230 nan 0.000 0.433 352 L N -0.592 120.537 121.223 -0.157 0.000 2.042 352 L HA -0.228 4.107 4.340 -0.009 0.000 0.210 352 L C 2.466 179.276 176.870 -0.101 0.000 1.076 352 L CA 1.853 56.621 54.840 -0.121 0.000 0.749 352 L CB -0.988 41.008 42.059 -0.105 0.000 0.893 352 L HN 0.444 nan 8.230 nan 0.000 0.432 353 Q N -0.602 119.139 119.800 -0.098 0.000 2.050 353 Q HA -0.190 4.145 4.340 -0.009 0.000 0.202 353 Q C 2.182 178.132 176.000 -0.083 0.000 0.980 353 Q CA 1.820 57.574 55.803 -0.080 0.000 0.840 353 Q CB -0.265 28.428 28.738 -0.075 0.000 0.898 353 Q HN 0.711 nan 8.270 nan 0.000 0.424 354 A N 0.380 123.137 122.820 -0.104 0.000 2.024 354 A HA -0.149 4.166 4.320 -0.009 0.000 0.220 354 A C 1.847 179.381 177.584 -0.084 0.000 1.164 354 A CA 1.152 53.130 52.037 -0.099 0.000 0.643 354 A CB -0.375 18.547 19.000 -0.131 0.000 0.806 354 A HN 0.354 nan 8.150 nan 0.000 0.451 355 L N -0.745 120.425 121.223 -0.089 0.000 2.585 355 L HA 0.237 4.572 4.340 -0.009 0.000 0.226 355 L C 0.226 177.058 176.870 -0.062 0.000 1.113 355 L CA -0.457 54.338 54.840 -0.076 0.000 0.876 355 L CB -0.165 41.844 42.059 -0.084 0.000 1.072 355 L HN 0.222 nan 8.230 nan 0.000 0.468 356 L N 1.511 122.699 121.223 -0.059 0.000 2.483 356 L HA 0.093 4.428 4.340 -0.009 0.000 0.275 356 L C -1.430 175.416 176.870 -0.040 0.000 1.220 356 L CA -1.519 53.292 54.840 -0.048 0.000 0.833 356 L CB -0.347 41.685 42.059 -0.045 0.000 1.102 356 L HN -0.039 nan 8.230 nan 0.000 0.490 357 P HA 0.225 nan 4.420 nan 0.000 0.263 357 P C -0.507 176.778 177.300 -0.026 0.000 1.195 357 P CA 0.336 63.419 63.100 -0.028 0.000 0.762 357 P CB 0.805 32.490 31.700 -0.024 0.000 0.799 358 S N 0.000 115.685 115.700 -0.024 0.000 2.498 358 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 358 S CA 0.000 nan 58.200 nan 0.000 1.107 358 S CB 0.000 nan 63.200 nan 0.000 0.593 358 S HN 0.000 nan 8.310 nan 0.000 0.517