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 1zvj_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 NSGSTDGEQD 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 0.000 174.532 174.700 -0.279 0.000 1.109 4 T CA 0.000 61.959 62.100 -0.235 0.000 1.349 4 T CB 0.000 68.715 68.868 -0.254 0.000 0.612 5 A N 1.895 124.461 122.820 -0.423 0.000 2.587 5 A HA 0.917 5.246 4.320 0.015 0.000 0.293 5 A C -2.329 174.906 177.584 -0.581 0.000 1.087 5 A CA -0.643 51.174 52.037 -0.366 0.000 0.692 5 A CB 1.337 20.226 19.000 -0.187 0.000 1.291 5 A HN 0.687 nan 8.150 nan 0.000 0.407 6 Y N -0.445 119.737 120.300 -0.197 0.000 2.576 6 Y HA 0.620 5.181 4.550 0.019 0.000 0.346 6 Y C 1.062 176.893 175.900 -0.115 0.000 1.018 6 Y CA -0.078 57.907 58.100 -0.191 0.000 1.050 6 Y CB 2.126 40.406 38.460 -0.299 0.000 1.280 6 Y HN 0.856 nan 8.280 nan 0.000 0.474 7 T N -2.027 112.589 114.554 0.103 0.000 2.816 7 T HA 0.245 4.604 4.350 0.015 0.000 0.282 7 T C -2.200 172.579 174.700 0.130 0.000 0.993 7 T CA -1.886 60.280 62.100 0.110 0.000 0.994 7 T CB 1.350 70.249 68.868 0.052 0.000 1.025 7 T HN 0.319 nan 8.240 nan 0.000 0.529 8 P HA -0.006 nan 4.420 nan 0.000 0.218 8 P C 1.739 179.042 177.300 0.005 0.000 1.148 8 P CA 0.802 64.005 63.100 0.172 0.000 0.822 8 P CB -0.128 31.686 31.700 0.190 0.000 0.784 9 L N -0.455 120.771 121.223 0.006 0.000 2.012 9 L HA -0.200 4.149 4.340 0.015 0.000 0.210 9 L C 1.984 178.792 176.870 -0.103 0.000 1.073 9 L CA 1.729 56.539 54.840 -0.050 0.000 0.748 9 L CB -1.257 40.791 42.059 -0.019 0.000 0.891 9 L HN 0.020 nan 8.230 nan 0.000 0.431 10 D N 0.046 120.407 120.400 -0.064 0.000 2.123 10 D HA -0.158 4.491 4.640 0.015 0.000 0.196 10 D C 2.301 178.429 176.300 -0.286 0.000 0.992 10 D CA 1.204 55.154 54.000 -0.083 0.000 0.833 10 D CB -0.237 40.627 40.800 0.108 0.000 0.954 10 D HN 0.147 nan 8.370 nan 0.000 0.455 11 V N 1.427 121.119 119.914 -0.371 0.000 2.427 11 V HA -0.189 3.940 4.120 0.015 0.000 0.248 11 V C 2.564 178.294 176.094 -0.606 0.000 1.051 11 V CA 1.537 63.469 62.300 -0.613 0.000 1.048 11 V CB -0.790 30.752 31.823 -0.469 0.000 0.666 11 V HN 0.168 nan 8.190 nan 0.000 0.456 12 A N -0.586 121.909 122.820 -0.542 0.000 1.908 12 A HA -0.268 4.060 4.320 0.015 0.000 0.218 12 A C 2.220 179.560 177.584 -0.408 0.000 1.181 12 A CA 1.786 53.316 52.037 -0.844 0.000 0.627 12 A CB -0.434 18.153 19.000 -0.688 0.000 0.818 12 A HN 0.547 nan 8.150 nan 0.000 0.445 13 Q N -0.736 118.913 119.800 -0.252 0.000 2.046 13 Q HA -0.108 4.241 4.340 0.015 0.000 0.200 13 Q C 2.493 178.419 176.000 -0.124 0.000 0.975 13 Q CA 1.527 57.257 55.803 -0.122 0.000 0.836 13 Q CB -0.684 27.998 28.738 -0.094 0.000 0.896 13 Q HN 0.663 nan 8.270 nan 0.000 0.428 14 A N 0.360 123.022 122.820 -0.264 0.000 1.940 14 A HA -0.177 4.152 4.320 0.015 0.000 0.219 14 A C 1.147 178.665 177.584 -0.109 0.000 1.176 14 A CA 1.264 53.133 52.037 -0.280 0.000 0.631 14 A CB -0.594 18.086 19.000 -0.534 0.000 0.814 14 A HN 0.327 nan 8.150 nan 0.000 0.446 15 Y N -0.148 120.143 120.300 -0.015 0.000 2.495 15 Y HA 0.277 4.834 4.550 0.012 0.000 0.293 15 Y C 0.558 176.593 175.900 0.225 0.000 1.186 15 Y CA -0.322 57.856 58.100 0.129 0.000 1.266 15 Y CB -1.107 37.530 38.460 0.294 0.000 1.101 15 Y HN 0.506 nan 8.280 nan 0.000 0.517 16 Q N -0.546 119.412 119.800 0.263 0.000 2.439 16 Q HA -0.231 4.117 4.340 0.015 0.000 0.325 16 Q C -0.791 175.389 176.000 0.301 0.000 1.372 16 Q CA 0.097 56.024 55.803 0.206 0.000 0.909 16 Q CB -1.709 27.103 28.738 0.123 0.000 1.167 16 Q HN 0.223 nan 8.270 nan 0.000 0.418 17 F N 1.540 121.532 119.950 0.069 0.000 2.602 17 F HA 0.085 4.610 4.527 -0.003 0.000 0.367 17 F C -1.253 174.564 175.800 0.029 0.000 1.126 17 F CA -1.717 56.318 58.000 0.060 0.000 1.321 17 F CB -0.103 38.946 39.000 0.083 0.000 1.094 17 F HN 0.083 nan 8.300 nan 0.000 0.594 18 P HA 0.111 nan 4.420 nan 0.000 0.276 18 P C -0.918 176.430 177.300 0.080 0.000 1.235 18 P CA -0.243 62.891 63.100 0.057 0.000 0.772 18 P CB 0.708 32.403 31.700 -0.008 0.000 0.871 19 E N 1.140 121.378 120.200 0.063 0.000 2.318 19 E HA 0.483 4.842 4.350 0.015 0.000 0.265 19 E C 1.334 177.957 176.600 0.038 0.000 1.069 19 E CA 0.127 56.562 56.400 0.058 0.000 0.893 19 E CB 0.030 29.757 29.700 0.045 0.000 1.076 19 E HN 0.699 nan 8.360 nan 0.000 0.414 20 G N 0.865 109.686 108.800 0.036 0.000 2.176 20 G HA2 -0.260 3.709 3.960 0.015 0.000 0.253 20 G HA3 -0.260 3.709 3.960 0.015 0.000 0.253 20 G C -0.207 174.706 174.900 0.023 0.000 0.979 20 G CA -0.042 45.072 45.100 0.024 0.000 0.641 20 G HN 0.282 nan 8.290 nan 0.000 0.530 21 L N 1.357 122.600 121.223 0.033 0.000 2.325 21 L HA 0.573 4.922 4.340 0.015 0.000 0.281 21 L C 0.239 177.137 176.870 0.047 0.000 1.004 21 L CA -0.452 54.406 54.840 0.030 0.000 0.823 21 L CB 1.758 43.828 42.059 0.019 0.000 1.236 21 L HN 0.207 nan 8.230 nan 0.000 0.415 22 D N 0.766 121.189 120.400 0.037 0.000 2.469 22 D HA 0.165 4.814 4.640 0.015 0.000 0.215 22 D C 1.118 177.444 176.300 0.043 0.000 1.154 22 D CA 0.282 54.311 54.000 0.048 0.000 0.832 22 D CB 0.995 41.816 40.800 0.034 0.000 1.008 22 D HN 0.671 nan 8.370 nan 0.000 0.506 23 G N 0.490 109.304 108.800 0.024 0.000 2.141 23 G HA2 -0.313 3.656 3.960 0.015 0.000 0.242 23 G HA3 -0.313 3.656 3.960 0.015 0.000 0.242 23 G C 0.080 174.970 174.900 -0.017 0.000 0.982 23 G CA 0.050 45.150 45.100 0.001 0.000 0.662 23 G HN 0.507 nan 8.290 nan 0.000 0.527 24 Q N 0.054 119.850 119.800 -0.006 0.000 2.349 24 Q HA 0.368 4.717 4.340 0.015 0.000 0.287 24 Q C 1.598 177.586 176.000 -0.020 0.000 1.044 24 Q CA 1.867 57.664 55.803 -0.011 0.000 0.918 24 Q CB 0.277 29.013 28.738 -0.003 0.000 1.242 24 Q HN 1.622 nan 8.270 nan 0.000 0.405 25 G N 2.653 111.439 108.800 -0.023 0.000 2.205 25 G HA2 -0.204 3.765 3.960 0.015 0.000 0.261 25 G HA3 -0.204 3.765 3.960 0.015 0.000 0.261 25 G C -0.058 174.820 174.900 -0.036 0.000 0.980 25 G CA 0.226 45.311 45.100 -0.024 0.000 0.632 25 G HN 0.560 nan 8.290 nan 0.000 0.533 26 Q N -0.451 119.316 119.800 -0.055 0.000 2.257 26 Q HA 0.618 4.967 4.340 0.015 0.000 0.262 26 Q C -0.250 175.676 176.000 -0.123 0.000 0.997 26 Q CA -0.462 55.294 55.803 -0.078 0.000 0.873 26 Q CB 2.125 30.813 28.738 -0.084 0.000 1.312 26 Q HN 0.572 nan 8.270 nan 0.000 0.450 27 C N 3.281 122.509 119.300 -0.121 0.000 2.340 27 C HA 0.665 5.134 4.460 0.015 0.000 0.323 27 C C -0.469 174.414 174.990 -0.178 0.000 1.260 27 C CA -0.528 58.396 59.018 -0.158 0.000 1.464 27 C CB -0.581 27.119 27.740 -0.065 0.000 2.156 27 C HN 0.775 nan 8.230 nan 0.000 0.476 28 I N 5.745 126.114 120.570 -0.335 0.000 2.336 28 I HA 0.514 4.693 4.170 0.015 0.000 0.292 28 I C 0.695 176.768 176.117 -0.073 0.000 0.991 28 I CA 0.096 61.249 61.300 -0.244 0.000 1.227 28 I CB 1.557 39.324 38.000 -0.389 0.000 1.366 28 I HN 0.839 nan 8.210 nan 0.000 0.466 29 A N 7.819 130.670 122.820 0.052 0.000 2.301 29 A HA 0.810 5.139 4.320 0.015 0.000 0.312 29 A C -0.559 177.133 177.584 0.179 0.000 1.182 29 A CA -0.386 51.767 52.037 0.192 0.000 0.826 29 A CB 0.454 19.557 19.000 0.172 0.000 1.134 29 A HN 0.662 nan 8.150 nan 0.000 0.501 30 I N 2.973 123.686 120.570 0.238 0.000 2.433 30 I HA 0.303 4.482 4.170 0.015 0.000 0.292 30 I C -0.746 175.467 176.117 0.160 0.000 1.001 30 I CA -0.622 60.788 61.300 0.184 0.000 1.119 30 I CB 1.727 39.831 38.000 0.174 0.000 1.289 30 I HN 0.387 nan 8.210 nan 0.000 0.438 31 I N 5.747 126.401 120.570 0.141 0.000 2.365 31 I HA 0.375 4.554 4.170 0.015 0.000 0.291 31 I C 0.081 176.163 176.117 -0.058 0.000 1.004 31 I CA -0.500 60.846 61.300 0.077 0.000 1.311 31 I CB 0.928 39.028 38.000 0.167 0.000 1.401 31 I HN 0.506 nan 8.210 nan 0.000 0.491 32 E N 6.649 126.669 120.200 -0.299 0.000 2.272 32 E HA 0.402 4.761 4.350 0.015 0.000 0.269 32 E C -0.423 175.761 176.600 -0.693 0.000 0.877 32 E CA -0.493 55.627 56.400 -0.465 0.000 0.755 32 E CB 2.690 32.032 29.700 -0.596 0.000 1.192 32 E HN 0.429 nan 8.360 nan 0.000 0.422 33 L N 1.320 121.752 121.223 -1.318 0.000 3.062 33 L HA 0.505 4.854 4.340 0.015 0.000 0.255 33 L C 0.583 177.062 176.870 -0.651 0.000 1.274 33 L CA -0.310 53.878 54.840 -1.088 0.000 1.047 33 L CB 0.430 41.571 42.059 -1.530 0.000 1.402 33 L HN 0.615 nan 8.230 nan 0.000 0.550 34 G N -1.839 106.843 108.800 -0.196 0.000 2.315 34 G HA2 0.407 4.376 3.960 0.015 0.000 0.294 34 G HA3 0.407 4.376 3.960 0.015 0.000 0.294 34 G C -0.152 174.910 174.900 0.270 0.000 1.300 34 G CA -0.086 45.054 45.100 0.068 0.000 0.843 34 G HN 0.296 nan 8.290 nan 0.000 0.527 35 G N -1.192 107.729 108.800 0.201 0.000 2.581 35 G HA2 0.471 4.440 3.960 0.015 0.000 0.289 35 G HA3 0.471 4.440 3.960 0.015 0.000 0.289 35 G C 0.821 175.843 174.900 0.204 0.000 1.303 35 G CA 1.221 46.434 45.100 0.188 0.000 0.931 35 G HN 2.583 nan 8.290 nan 0.000 0.555 36 G N -2.809 106.106 108.800 0.191 0.000 2.548 36 G HA2 0.831 4.799 3.960 0.015 0.000 0.301 36 G HA3 0.831 4.799 3.960 0.015 0.000 0.301 36 G C -1.037 173.988 174.900 0.210 0.000 1.349 36 G CA 0.195 45.373 45.100 0.131 0.000 0.792 36 G HN 1.994 nan 8.290 nan 0.000 0.481 37 Y N -0.823 119.559 120.300 0.135 0.000 2.562 37 Y HA 0.788 5.348 4.550 0.017 0.000 0.343 37 Y C -1.012 174.911 175.900 0.038 0.000 1.025 37 Y CA -1.708 56.444 58.100 0.087 0.000 1.082 37 Y CB 2.218 40.748 38.460 0.116 0.000 1.264 37 Y HN 0.460 nan 8.280 nan 0.000 0.478 38 D N 1.450 121.965 120.400 0.193 0.000 2.392 38 D HA 0.118 4.767 4.640 0.015 0.000 0.228 38 D C -0.733 175.733 176.300 0.276 0.000 1.074 38 D CA -0.491 53.584 54.000 0.125 0.000 0.838 38 D CB 1.224 42.058 40.800 0.056 0.000 1.067 38 D HN 0.753 nan 8.370 nan 0.000 0.511 39 E N 3.134 123.545 120.200 0.353 0.000 2.323 39 E HA 0.310 4.669 4.350 0.015 0.000 0.313 39 E C -0.093 176.613 176.600 0.177 0.000 1.236 39 E CA 0.167 56.768 56.400 0.334 0.000 1.333 39 E CB -0.453 29.476 29.700 0.381 0.000 1.138 39 E HN 0.518 nan 8.360 nan 0.000 0.492 40 A N 1.098 124.001 122.820 0.139 0.000 1.782 40 A HA -0.058 4.271 4.320 0.015 0.000 0.177 40 A C 1.691 179.318 177.584 0.072 0.000 2.025 40 A CA 0.333 52.426 52.037 0.094 0.000 1.604 40 A CB -0.436 18.605 19.000 0.069 0.000 1.619 40 A HN 0.408 nan 8.150 nan 0.000 0.290 41 S N 1.179 116.916 115.700 0.062 0.000 2.387 41 S HA -0.005 4.474 4.470 0.015 0.000 0.226 41 S C 1.793 176.391 174.600 -0.003 0.000 1.026 41 S CA 1.297 59.514 58.200 0.029 0.000 0.972 41 S CB -0.734 62.476 63.200 0.016 0.000 0.814 41 S HN 0.423 nan 8.310 nan 0.000 0.477 42 L N 1.479 122.700 121.223 -0.002 0.000 2.042 42 L HA -0.113 4.236 4.340 0.015 0.000 0.210 42 L C 3.092 179.959 176.870 -0.004 0.000 1.076 42 L CA 1.339 56.114 54.840 -0.108 0.000 0.749 42 L CB -0.891 41.190 42.059 0.036 0.000 0.893 42 L HN 0.443 nan 8.230 nan 0.000 0.432 43 A N -0.496 122.408 122.820 0.140 0.000 1.930 43 A HA -0.233 4.096 4.320 0.015 0.000 0.217 43 A C 2.318 179.977 177.584 0.125 0.000 1.175 43 A CA 1.571 53.727 52.037 0.199 0.000 0.627 43 A CB -0.527 18.561 19.000 0.146 0.000 0.815 43 A HN 0.514 nan 8.150 nan 0.000 0.443 44 Q N -1.585 118.256 119.800 0.069 0.000 2.167 44 Q HA -0.218 4.131 4.340 0.015 0.000 0.202 44 Q C 1.901 177.913 176.000 0.020 0.000 0.970 44 Q CA 1.871 57.699 55.803 0.043 0.000 0.855 44 Q CB -0.375 28.384 28.738 0.035 0.000 0.911 44 Q HN 0.724 nan 8.270 nan 0.000 0.438 45 Y N 0.701 120.908 120.300 -0.154 0.000 2.133 45 Y HA -0.225 4.334 4.550 0.015 0.000 0.287 45 Y C 1.714 177.502 175.900 -0.185 0.000 1.134 45 Y CA 1.909 59.865 58.100 -0.240 0.000 1.133 45 Y CB -0.645 37.553 38.460 -0.437 0.000 0.987 45 Y HN 0.059 nan 8.280 nan 0.000 0.502 46 F N 0.428 120.344 119.950 -0.057 0.000 2.095 46 F HA -0.174 4.358 4.527 0.008 0.000 0.298 46 F C 2.708 178.411 175.800 -0.163 0.000 1.104 46 F CA 1.298 59.202 58.000 -0.159 0.000 1.232 46 F CB -1.524 37.459 39.000 -0.027 0.000 0.987 46 F HN 0.171 nan 8.300 nan 0.000 0.475 47 A N 0.303 123.175 122.820 0.087 0.000 1.927 47 A HA -0.291 4.038 4.320 0.015 0.000 0.220 47 A C 2.436 179.995 177.584 -0.042 0.000 1.185 47 A CA 2.724 54.777 52.037 0.025 0.000 0.639 47 A CB -1.381 17.639 19.000 0.032 0.000 0.820 47 A HN 0.459 nan 8.150 nan 0.000 0.451 48 S N 0.016 115.652 115.700 -0.106 0.000 2.368 48 S HA -0.088 4.391 4.470 0.015 0.000 0.225 48 S C 1.729 176.236 174.600 -0.156 0.000 1.030 48 S CA 1.528 59.648 58.200 -0.133 0.000 0.999 48 S CB -0.735 62.368 63.200 -0.162 0.000 0.844 48 S HN 0.469 nan 8.310 nan 0.000 0.459 49 L N 1.166 122.251 121.223 -0.230 0.000 2.551 49 L HA 0.202 4.551 4.340 0.015 0.000 0.228 49 L C 1.889 178.716 176.870 -0.072 0.000 1.153 49 L CA 0.470 55.210 54.840 -0.167 0.000 0.851 49 L CB -1.135 40.808 42.059 -0.193 0.000 0.959 49 L HN 0.670 nan 8.230 nan 0.000 0.451 50 G N 1.009 109.780 108.800 -0.049 0.000 2.147 50 G HA2 -0.236 3.733 3.960 0.015 0.000 0.244 50 G HA3 -0.236 3.733 3.960 0.015 0.000 0.244 50 G C 0.104 175.002 174.900 -0.004 0.000 1.005 50 G CA 0.289 45.377 45.100 -0.020 0.000 0.713 50 G HN 0.318 nan 8.290 nan 0.000 0.515 51 V N -3.047 116.873 119.914 0.010 0.000 2.769 51 V HA 0.924 5.053 4.120 0.015 0.000 0.312 51 V C -2.262 173.832 176.094 0.001 0.000 1.061 51 V CA -2.857 59.447 62.300 0.007 0.000 0.931 51 V CB 2.132 33.962 31.823 0.010 0.000 1.010 51 V HN 0.022 nan 8.190 nan 0.000 0.433 52 P HA 0.260 nan 4.420 nan 0.000 0.265 52 P C -0.204 177.002 177.300 -0.158 0.000 1.193 52 P CA 0.413 63.482 63.100 -0.052 0.000 0.765 52 P CB 0.434 32.106 31.700 -0.047 0.000 0.823 53 A N 5.710 128.480 122.820 -0.084 0.000 2.444 53 A HA 0.359 4.688 4.320 0.015 0.000 0.273 53 A C -1.715 175.746 177.584 -0.204 0.000 1.136 53 A CA -0.900 51.041 52.037 -0.160 0.000 0.799 53 A CB -0.970 18.106 19.000 0.127 0.000 1.081 53 A HN 0.400 nan 8.150 nan 0.000 0.509 54 P HA 0.188 nan 4.420 nan 0.000 0.274 54 P C -0.403 176.898 177.300 0.001 0.000 1.246 54 P CA -0.482 62.551 63.100 -0.111 0.000 0.795 54 P CB 0.462 32.143 31.700 -0.031 0.000 1.006 55 Q N 0.308 120.156 119.800 0.081 0.000 2.364 55 Q HA 0.353 4.702 4.340 0.015 0.000 0.267 55 Q C -1.359 174.733 176.000 0.154 0.000 0.999 55 Q CA -0.145 55.716 55.803 0.097 0.000 0.886 55 Q CB 0.386 29.173 28.738 0.082 0.000 1.243 55 Q HN 0.174 nan 8.270 nan 0.000 0.415 56 V N 5.192 125.180 119.914 0.124 0.000 2.569 56 V HA 0.462 4.591 4.120 0.015 0.000 0.301 56 V C -0.670 175.521 176.094 0.161 0.000 1.044 56 V CA -0.734 61.641 62.300 0.124 0.000 0.874 56 V CB 1.575 33.376 31.823 -0.036 0.000 1.002 56 V HN 0.749 nan 8.190 nan 0.000 0.424 57 V N 1.875 121.883 119.914 0.157 0.000 2.604 57 V HA 0.825 4.954 4.120 0.015 0.000 0.305 57 V C -0.072 176.120 176.094 0.164 0.000 1.043 57 V CA -0.224 62.164 62.300 0.146 0.000 0.888 57 V CB 1.985 33.849 31.823 0.069 0.000 0.995 57 V HN 0.682 nan 8.190 nan 0.000 0.429 58 S N 2.927 118.752 115.700 0.208 0.000 2.617 58 S HA 0.828 5.307 4.470 0.015 0.000 0.283 58 S C -0.441 174.196 174.600 0.061 0.000 1.189 58 S CA -0.534 57.813 58.200 0.244 0.000 1.036 58 S CB 1.667 65.032 63.200 0.275 0.000 1.014 58 S HN 0.868 nan 8.310 nan 0.000 0.522 59 V N 2.029 121.966 119.914 0.038 0.000 2.577 59 V HA 0.441 4.570 4.120 0.015 0.000 0.303 59 V C -0.100 176.057 176.094 0.105 0.000 1.042 59 V CA -0.740 61.526 62.300 -0.056 0.000 0.872 59 V CB 1.990 33.564 31.823 -0.415 0.000 0.998 59 V HN 0.848 nan 8.190 nan 0.000 0.423 60 S N 4.357 120.109 115.700 0.086 0.000 2.513 60 S HA 0.678 5.157 4.470 0.015 0.000 0.276 60 S C -0.680 173.995 174.600 0.124 0.000 1.254 60 S CA -0.327 57.936 58.200 0.104 0.000 1.053 60 S CB 0.916 64.143 63.200 0.045 0.000 0.958 60 S HN 0.537 nan 8.310 nan 0.000 0.491 61 V N 4.830 124.830 119.914 0.143 0.000 2.588 61 V HA 0.406 4.535 4.120 0.015 0.000 0.304 61 V C -0.515 175.632 176.094 0.089 0.000 1.042 61 V CA -0.704 61.674 62.300 0.130 0.000 0.877 61 V CB 1.590 33.513 31.823 0.166 0.000 0.996 61 V HN 1.000 nan 8.190 nan 0.000 0.425 62 D N 3.753 124.194 120.400 0.069 0.000 2.837 62 D HA -0.172 4.477 4.640 0.015 0.000 0.230 62 D C 1.282 177.603 176.300 0.035 0.000 1.152 62 D CA 2.122 56.151 54.000 0.048 0.000 0.736 62 D CB -1.201 39.627 40.800 0.046 0.000 1.084 62 D HN 1.497 nan 8.370 nan 0.000 0.429 63 G N -2.011 106.809 108.800 0.034 0.000 2.199 63 G HA2 -0.097 3.872 3.960 0.015 0.000 0.254 63 G HA3 -0.097 3.872 3.960 0.015 0.000 0.254 63 G C 0.562 175.469 174.900 0.012 0.000 0.982 63 G CA 0.669 45.779 45.100 0.017 0.000 0.632 63 G HN 1.204 nan 8.290 nan 0.000 0.529 64 A N -0.339 122.499 122.820 0.031 0.000 2.257 64 A HA 0.980 5.309 4.320 0.015 0.000 0.289 64 A C 0.682 178.278 177.584 0.020 0.000 1.095 64 A CA 0.987 53.040 52.037 0.027 0.000 0.836 64 A CB 1.087 20.122 19.000 0.058 0.000 1.111 64 A HN 2.166 nan 8.150 nan 0.000 0.497 65 S N -0.570 115.093 115.700 -0.063 0.000 2.661 65 S HA 0.366 4.845 4.470 0.015 0.000 0.268 65 S C -0.974 173.198 174.600 -0.712 0.000 1.162 65 S CA -0.834 57.230 58.200 -0.227 0.000 0.817 65 S CB 0.679 63.771 63.200 -0.180 0.000 1.141 65 S HN 0.802 nan 8.310 nan 0.000 0.477 66 N N 1.914 120.000 118.700 -1.023 0.000 2.406 66 N HA 0.196 4.945 4.740 0.015 0.000 0.269 66 N C -1.051 174.047 175.510 -0.688 0.000 1.210 66 N CA 0.248 52.446 53.050 -1.420 0.000 0.966 66 N CB -0.323 37.522 38.487 -1.071 0.000 1.293 66 N HN 0.471 nan 8.380 nan 0.000 0.491 67 Q N 4.009 123.498 119.800 -0.518 0.000 2.558 67 Q HA 0.354 4.702 4.340 0.015 0.000 0.252 67 Q C -2.477 173.433 176.000 -0.151 0.000 1.015 67 Q CA -1.814 53.832 55.803 -0.261 0.000 0.720 67 Q CB 1.417 30.046 28.738 -0.181 0.000 1.215 67 Q HN 0.476 nan 8.270 nan 0.000 0.500 68 P HA -0.066 nan 4.420 nan 0.000 0.262 68 P C 0.939 178.225 177.300 -0.024 0.000 1.182 68 P CA 0.612 63.685 63.100 -0.044 0.000 0.761 68 P CB 0.622 32.292 31.700 -0.049 0.000 0.795 69 T N 0.291 114.851 114.554 0.010 0.000 3.086 69 T HA 0.235 4.594 4.350 0.015 0.000 0.250 69 T C 1.433 176.138 174.700 0.008 0.000 1.074 69 T CA 0.743 62.848 62.100 0.009 0.000 0.988 69 T CB -0.743 68.142 68.868 0.028 0.000 0.988 69 T HN 0.586 nan 8.240 nan 0.000 0.530 70 G N 1.036 109.842 108.800 0.009 0.000 2.225 70 G HA2 -0.227 3.742 3.960 0.015 0.000 0.254 70 G HA3 -0.227 3.742 3.960 0.015 0.000 0.254 70 G C -0.167 174.740 174.900 0.011 0.000 0.988 70 G CA 0.173 45.276 45.100 0.006 0.000 0.625 70 G HN 0.701 nan 8.290 nan 0.000 0.527 71 D N 0.863 121.274 120.400 0.018 0.000 2.317 71 D HA 0.540 5.189 4.640 0.015 0.000 0.234 71 D C -0.852 175.461 176.300 0.021 0.000 1.112 71 D CA -2.233 51.778 54.000 0.019 0.000 0.840 71 D CB 1.594 42.408 40.800 0.023 0.000 1.078 71 D HN 0.086 nan 8.370 nan 0.000 0.486 72 P HA -0.029 nan 4.420 nan 0.000 0.220 72 P C 1.005 178.307 177.300 0.004 0.000 1.148 72 P CA 0.613 63.715 63.100 0.004 0.000 0.803 72 P CB 0.435 32.132 31.700 -0.004 0.000 0.782 73 S N -1.287 114.419 115.700 0.010 0.000 2.527 73 S HA 0.143 4.622 4.470 0.015 0.000 0.222 73 S C 1.348 175.958 174.600 0.017 0.000 0.985 73 S CA 0.644 58.850 58.200 0.010 0.000 0.921 73 S CB -0.558 62.650 63.200 0.014 0.000 0.772 73 S HN 0.232 nan 8.310 nan 0.000 0.529 74 G N 1.846 110.665 108.800 0.032 0.000 2.630 74 G HA2 0.296 4.265 3.960 0.015 0.000 0.223 74 G HA3 0.296 4.265 3.960 0.015 0.000 0.223 74 G C -1.631 173.316 174.900 0.078 0.000 1.434 74 G CA -0.594 44.540 45.100 0.057 0.000 1.057 74 G HN 0.090 nan 8.290 nan 0.000 0.570 75 P HA -0.067 nan 4.420 nan 0.000 0.215 75 P C 0.813 178.243 177.300 0.217 0.000 1.153 75 P CA 1.278 64.539 63.100 0.268 0.000 0.853 75 P CB 0.065 31.969 31.700 0.340 0.000 0.788 76 D N 0.028 120.523 120.400 0.158 0.000 2.172 76 D HA -0.157 4.492 4.640 0.015 0.000 0.196 76 D C 2.304 178.656 176.300 0.086 0.000 0.999 76 D CA 1.830 55.909 54.000 0.132 0.000 0.856 76 D CB -1.173 39.675 40.800 0.081 0.000 0.934 76 D HN 0.221 nan 8.370 nan 0.000 0.453 77 G N 0.391 109.217 108.800 0.043 0.000 2.459 77 G HA2 -0.329 3.640 3.960 0.015 0.000 0.217 77 G HA3 -0.329 3.640 3.960 0.015 0.000 0.217 77 G C 1.645 176.529 174.900 -0.027 0.000 1.183 77 G CA 1.061 46.155 45.100 -0.009 0.000 0.776 77 G HN 0.266 nan 8.290 nan 0.000 0.552 78 E N 0.079 120.262 120.200 -0.027 0.000 2.110 78 E HA -0.073 4.286 4.350 0.015 0.000 0.193 78 E C 2.666 179.288 176.600 0.037 0.000 0.988 78 E CA 0.879 57.235 56.400 -0.074 0.000 0.804 78 E CB -0.334 29.218 29.700 -0.246 0.000 0.745 78 E HN 0.220 nan 8.360 nan 0.000 0.458 79 V N 0.854 120.856 119.914 0.147 0.000 2.261 79 V HA -0.255 3.874 4.120 0.015 0.000 0.246 79 V C 1.955 178.102 176.094 0.088 0.000 1.047 79 V CA 2.406 64.816 62.300 0.183 0.000 1.015 79 V CB -0.532 31.484 31.823 0.322 0.000 0.642 79 V HN 0.319 nan 8.190 nan 0.000 0.446 80 E N -0.208 120.019 120.200 0.045 0.000 2.299 80 E HA -0.085 4.274 4.350 0.015 0.000 0.193 80 E C 2.011 178.520 176.600 -0.152 0.000 0.998 80 E CA 0.500 56.868 56.400 -0.052 0.000 0.851 80 E CB -0.105 29.557 29.700 -0.063 0.000 0.795 80 E HN 0.441 nan 8.360 nan 0.000 0.492 81 L N 1.701 122.845 121.223 -0.130 0.000 2.017 81 L HA -0.197 4.152 4.340 0.015 0.000 0.208 81 L C 1.436 178.210 176.870 -0.161 0.000 1.073 81 L CA 1.896 56.629 54.840 -0.178 0.000 0.745 81 L CB -0.152 41.807 42.059 -0.166 0.000 0.894 81 L HN -0.047 nan 8.230 nan 0.000 0.432 82 D N -0.324 120.020 120.400 -0.094 0.000 2.117 82 D HA -0.155 4.494 4.640 0.015 0.000 0.198 82 D C 2.299 178.577 176.300 -0.036 0.000 0.982 82 D CA 1.906 55.876 54.000 -0.050 0.000 0.828 82 D CB -0.147 40.664 40.800 0.017 0.000 0.967 82 D HN 0.449 nan 8.370 nan 0.000 0.464 83 I N 0.736 121.263 120.570 -0.072 0.000 2.439 83 I HA -0.147 4.032 4.170 0.015 0.000 0.251 83 I C 2.201 178.272 176.117 -0.077 0.000 1.139 83 I CA 0.863 62.078 61.300 -0.142 0.000 1.438 83 I CB -0.068 37.806 38.000 -0.210 0.000 1.085 83 I HN -0.074 nan 8.210 nan 0.000 0.427 84 E N 0.280 120.410 120.200 -0.115 0.000 2.072 84 E HA -0.129 4.230 4.350 0.015 0.000 0.190 84 E C 2.345 179.024 176.600 0.132 0.000 0.982 84 E CA 1.038 57.386 56.400 -0.088 0.000 0.803 84 E CB 0.130 29.486 29.700 -0.574 0.000 0.755 84 E HN 0.236 nan 8.360 nan 0.000 0.453 85 V N 1.184 121.090 119.914 -0.013 0.000 2.270 85 V HA -0.227 3.902 4.120 0.015 0.000 0.245 85 V C 2.277 178.427 176.094 0.094 0.000 1.043 85 V CA 1.907 64.211 62.300 0.007 0.000 1.014 85 V CB -0.621 31.077 31.823 -0.209 0.000 0.645 85 V HN 0.307 nan 8.190 nan 0.000 0.447 86 A N 0.423 123.301 122.820 0.097 0.000 1.969 86 A HA -0.011 4.318 4.320 0.015 0.000 0.218 86 A C 2.351 180.084 177.584 0.248 0.000 1.169 86 A CA 1.695 53.869 52.037 0.229 0.000 0.635 86 A CB -1.051 18.160 19.000 0.351 0.000 0.810 86 A HN 0.535 nan 8.150 nan 0.000 0.445 87 G N -0.715 108.050 108.800 -0.059 0.000 2.448 87 G HA2 0.104 4.073 3.960 0.015 0.000 0.218 87 G HA3 0.104 4.073 3.960 0.015 0.000 0.218 87 G C 1.556 176.380 174.900 -0.126 0.000 1.135 87 G CA 1.088 45.941 45.100 -0.412 0.000 0.784 87 G HN 0.737 nan 8.290 nan 0.000 0.543 88 A N -0.273 122.691 122.820 0.240 0.000 2.067 88 A HA 0.327 4.656 4.320 0.015 0.000 0.217 88 A C 2.074 179.739 177.584 0.135 0.000 1.156 88 A CA 0.806 52.989 52.037 0.243 0.000 0.683 88 A CB -0.072 19.148 19.000 0.368 0.000 0.808 88 A HN 0.295 nan 8.150 nan 0.000 0.455 89 L N -1.951 119.373 121.223 0.167 0.000 2.515 89 L HA 0.377 4.726 4.340 0.015 0.000 0.223 89 L C 1.325 178.321 176.870 0.209 0.000 1.079 89 L CA 1.120 56.073 54.840 0.188 0.000 0.857 89 L CB 0.144 42.346 42.059 0.240 0.000 1.050 89 L HN 0.289 nan 8.230 nan 0.000 0.476 90 A N -0.098 122.856 122.820 0.223 0.000 3.248 90 A HA 0.506 4.835 4.320 0.015 0.000 0.315 90 A C -1.883 175.824 177.584 0.206 0.000 0.974 90 A CA -0.634 51.523 52.037 0.200 0.000 0.939 90 A CB -0.053 19.063 19.000 0.193 0.000 1.061 90 A HN 0.028 nan 8.150 nan 0.000 0.481 91 P HA -0.009 nan 4.420 nan 0.000 0.242 91 P C 1.249 178.567 177.300 0.031 0.000 1.197 91 P CA 1.259 64.355 63.100 -0.007 0.000 0.765 91 P CB 0.280 31.922 31.700 -0.097 0.000 0.936 92 G N -0.090 108.740 108.800 0.050 0.000 2.683 92 G HA2 0.232 4.201 3.960 0.015 0.000 0.213 92 G HA3 0.232 4.201 3.960 0.015 0.000 0.213 92 G C 0.782 175.696 174.900 0.022 0.000 1.142 92 G CA 0.341 45.457 45.100 0.027 0.000 0.793 92 G HN 0.438 nan 8.290 nan 0.000 0.534 93 A N -0.009 122.826 122.820 0.024 0.000 2.313 93 A HA 0.556 4.885 4.320 0.015 0.000 0.261 93 A C 0.349 177.887 177.584 -0.078 0.000 1.090 93 A CA -0.345 51.633 52.037 -0.099 0.000 0.807 93 A CB 0.468 19.290 19.000 -0.296 0.000 1.055 93 A HN 0.171 nan 8.150 nan 0.000 0.492 94 K N 0.604 120.902 120.400 -0.169 0.000 2.227 94 K HA 0.441 4.770 4.320 0.015 0.000 0.280 94 K C -1.677 174.766 176.600 -0.262 0.000 1.041 94 K CA -0.062 56.175 56.287 -0.084 0.000 0.905 94 K CB 0.270 32.743 32.500 -0.045 0.000 1.068 94 K HN 0.478 nan 8.250 nan 0.000 0.470 95 F N 1.786 121.736 119.950 0.000 0.000 2.421 95 F HA 0.436 4.965 4.527 0.002 0.000 0.337 95 F C 0.333 176.146 175.800 0.021 0.000 1.105 95 F CA -0.648 57.358 58.000 0.010 0.000 1.049 95 F CB 1.957 40.944 39.000 -0.021 0.000 1.139 95 F HN 0.473 nan 8.300 nan 0.000 0.479 96 A N 3.161 126.079 122.820 0.163 0.000 2.310 96 A HA 0.714 5.043 4.320 0.015 0.000 0.304 96 A C -1.386 176.270 177.584 0.120 0.000 1.231 96 A CA -0.613 51.476 52.037 0.086 0.000 0.799 96 A CB 0.662 19.738 19.000 0.126 0.000 1.162 96 A HN 0.515 nan 8.150 nan 0.000 0.486 97 V N 3.808 123.743 119.914 0.034 0.000 2.313 97 V HA 0.242 4.371 4.120 0.015 0.000 0.278 97 V C -1.131 174.924 176.094 -0.064 0.000 1.017 97 V CA -0.409 61.924 62.300 0.056 0.000 0.823 97 V CB -0.005 31.916 31.823 0.162 0.000 1.010 97 V HN 0.712 nan 8.190 nan 0.000 0.443 98 Y N 4.673 124.940 120.300 -0.055 0.000 2.404 98 Y HA 0.523 5.081 4.550 0.014 0.000 0.344 98 Y C 0.029 175.839 175.900 -0.150 0.000 0.995 98 Y CA -0.629 57.469 58.100 -0.003 0.000 1.201 98 Y CB 0.444 38.921 38.460 0.028 0.000 1.151 98 Y HN 0.485 nan 8.280 nan 0.000 0.517 99 F N 2.211 122.231 119.950 0.116 0.000 2.404 99 F HA 0.727 5.270 4.527 0.027 0.000 0.339 99 F C 0.344 176.154 175.800 0.015 0.000 1.105 99 F CA -0.564 57.456 58.000 0.034 0.000 1.087 99 F CB 1.299 40.301 39.000 0.004 0.000 1.143 99 F HN 0.515 nan 8.300 nan 0.000 0.491 100 A N 3.557 126.433 122.820 0.093 0.000 2.606 100 A HA 0.797 5.126 4.320 0.015 0.000 0.293 100 A C -3.026 174.527 177.584 -0.051 0.000 1.082 100 A CA -1.913 50.145 52.037 0.035 0.000 0.685 100 A CB 1.406 20.428 19.000 0.038 0.000 1.284 100 A HN 0.409 nan 8.150 nan 0.000 0.408 101 P HA 0.118 nan 4.420 nan 0.000 0.269 101 P C -0.382 176.847 177.300 -0.119 0.000 1.209 101 P CA -0.079 62.986 63.100 -0.060 0.000 0.776 101 P CB 0.402 32.090 31.700 -0.021 0.000 0.876 102 N N 1.792 120.406 118.700 -0.142 0.000 3.254 102 N HA 0.051 4.800 4.740 0.015 0.000 0.308 102 N C -0.754 174.705 175.510 -0.086 0.000 1.281 102 N CA 0.046 52.989 53.050 -0.179 0.000 1.212 102 N CB -0.877 37.526 38.487 -0.140 0.000 1.478 102 N HN 0.407 nan 8.380 nan 0.000 0.548 103 T N -3.153 111.365 114.554 -0.060 0.000 2.865 103 T HA 0.331 4.689 4.350 0.015 0.000 0.294 103 T C 0.676 175.359 174.700 -0.028 0.000 1.119 103 T CA -0.731 61.337 62.100 -0.053 0.000 1.007 103 T CB 1.090 69.936 68.868 -0.037 0.000 1.225 103 T HN -0.176 nan 8.240 nan 0.000 0.515 104 D N 0.890 121.210 120.400 -0.134 0.000 2.106 104 D HA -0.085 4.564 4.640 0.015 0.000 0.191 104 D C 2.289 178.647 176.300 0.097 0.000 0.997 104 D CA 2.231 56.130 54.000 -0.169 0.000 0.834 104 D CB -0.641 40.047 40.800 -0.187 0.000 0.956 104 D HN 0.760 nan 8.370 nan 0.000 0.448 105 A N 0.104 122.966 122.820 0.070 0.000 1.929 105 A HA 0.074 4.403 4.320 0.015 0.000 0.216 105 A C 2.329 179.980 177.584 0.111 0.000 1.176 105 A CA 1.883 53.974 52.037 0.091 0.000 0.628 105 A CB -0.859 18.172 19.000 0.051 0.000 0.816 105 A HN 0.312 nan 8.150 nan 0.000 0.444 106 G N -1.697 107.162 108.800 0.098 0.000 2.464 106 G HA2 -0.066 3.903 3.960 0.015 0.000 0.217 106 G HA3 -0.066 3.903 3.960 0.015 0.000 0.217 106 G C 1.360 176.369 174.900 0.181 0.000 1.138 106 G CA 0.840 46.000 45.100 0.099 0.000 0.793 106 G HN 0.354 nan 8.290 nan 0.000 0.539 107 F N 1.609 121.582 119.950 0.039 0.000 2.102 107 F HA -0.022 4.501 4.527 -0.007 0.000 0.298 107 F C 2.309 178.196 175.800 0.146 0.000 1.105 107 F CA 0.965 59.027 58.000 0.103 0.000 1.239 107 F CB -0.761 38.366 39.000 0.211 0.000 0.991 107 F HN 0.156 nan 8.300 nan 0.000 0.474 108 L N 0.491 121.904 121.223 0.315 0.000 2.083 108 L HA -0.179 4.170 4.340 0.015 0.000 0.209 108 L C 1.912 178.839 176.870 0.095 0.000 1.083 108 L CA 2.159 57.078 54.840 0.133 0.000 0.752 108 L CB -1.094 41.039 42.059 0.123 0.000 0.899 108 L HN -0.022 nan 8.230 nan 0.000 0.433 109 D N 0.057 120.529 120.400 0.120 0.000 2.149 109 D HA -0.076 4.573 4.640 0.015 0.000 0.201 109 D C 2.230 178.587 176.300 0.095 0.000 0.972 109 D CA 1.344 55.397 54.000 0.088 0.000 0.835 109 D CB -0.083 40.767 40.800 0.082 0.000 0.966 109 D HN 0.534 nan 8.370 nan 0.000 0.476 110 A N 0.888 123.785 122.820 0.127 0.000 1.877 110 A HA -0.147 4.182 4.320 0.015 0.000 0.216 110 A C 2.354 179.949 177.584 0.018 0.000 1.186 110 A CA 0.927 53.032 52.037 0.114 0.000 0.620 110 A CB -0.688 18.401 19.000 0.148 0.000 0.822 110 A HN 0.169 nan 8.150 nan 0.000 0.443 111 I N 0.058 120.671 120.570 0.072 0.000 2.202 111 I HA -0.217 3.962 4.170 0.015 0.000 0.242 111 I C 2.916 178.984 176.117 -0.081 0.000 1.091 111 I CA 1.803 63.097 61.300 -0.009 0.000 1.368 111 I CB -0.381 37.616 38.000 -0.004 0.000 1.058 111 I HN 0.571 nan 8.210 nan 0.000 0.410 112 T N -2.569 111.972 114.554 -0.022 0.000 2.833 112 T HA -0.173 4.186 4.350 0.015 0.000 0.269 112 T C 1.783 176.580 174.700 0.162 0.000 1.054 112 T CA 1.957 64.112 62.100 0.092 0.000 1.135 112 T CB -0.777 68.152 68.868 0.101 0.000 0.869 112 T HN 0.215 nan 8.240 nan 0.000 0.466 113 T N 1.923 116.502 114.554 0.041 0.000 2.770 113 T HA 0.207 4.566 4.350 0.015 0.000 0.263 113 T C 2.523 177.161 174.700 -0.103 0.000 1.039 113 T CA 1.172 63.305 62.100 0.054 0.000 1.142 113 T CB -0.878 68.067 68.868 0.128 0.000 0.868 113 T HN 0.595 nan 8.240 nan 0.000 0.435 114 A N 1.093 123.572 122.820 -0.569 0.000 1.883 114 A HA -0.088 4.241 4.320 0.015 0.000 0.217 114 A C 2.225 179.624 177.584 -0.308 0.000 1.186 114 A CA 1.503 52.994 52.037 -0.910 0.000 0.624 114 A CB -0.862 17.441 19.000 -1.162 0.000 0.822 114 A HN 0.423 nan 8.150 nan 0.000 0.444 115 I N -0.785 119.620 120.570 -0.276 0.000 2.179 115 I HA -0.230 3.949 4.170 0.015 0.000 0.242 115 I C 2.031 177.956 176.117 -0.321 0.000 1.088 115 I CA 1.765 62.881 61.300 -0.305 0.000 1.357 115 I CB -0.469 37.274 38.000 -0.429 0.000 1.051 115 I HN 0.460 nan 8.210 nan 0.000 0.409 116 H N -1.055 117.988 119.070 -0.045 0.000 2.551 116 H HA 0.050 4.617 4.556 0.018 0.000 0.266 116 H C 0.484 175.820 175.328 0.014 0.000 0.977 116 H CA -0.041 55.997 56.048 -0.016 0.000 1.163 116 H CB -0.339 29.412 29.762 -0.017 0.000 1.381 116 H HN 0.116 nan 8.280 nan 0.000 0.581 117 D N 2.720 123.187 120.400 0.112 0.000 2.455 117 D HA -0.066 4.583 4.640 0.015 0.000 0.265 117 D C -1.336 175.028 176.300 0.107 0.000 1.284 117 D CA -1.037 53.049 54.000 0.143 0.000 0.944 117 D CB 0.954 41.889 40.800 0.226 0.000 1.121 117 D HN 0.248 nan 8.370 nan 0.000 0.525 118 P HA -0.063 nan 4.420 nan 0.000 0.225 118 P C 1.129 178.465 177.300 0.061 0.000 1.156 118 P CA 0.554 63.695 63.100 0.069 0.000 0.787 118 P CB 0.409 32.145 31.700 0.060 0.000 0.802 119 T N 0.843 115.440 114.554 0.072 0.000 2.684 119 T HA 0.045 4.404 4.350 0.015 0.000 0.253 119 T C 1.909 176.646 174.700 0.061 0.000 1.057 119 T CA 0.981 63.117 62.100 0.060 0.000 1.162 119 T CB -0.769 68.134 68.868 0.059 0.000 0.868 119 T HN 0.034 nan 8.240 nan 0.000 0.409 120 L N 0.489 121.764 121.223 0.086 0.000 2.341 120 L HA 0.149 4.498 4.340 0.015 0.000 0.214 120 L C 0.386 177.300 176.870 0.074 0.000 1.115 120 L CA 0.319 55.209 54.840 0.084 0.000 0.820 120 L CB -0.596 41.535 42.059 0.120 0.000 0.944 120 L HN 0.336 nan 8.230 nan 0.000 0.452 121 K N 0.291 120.737 120.400 0.076 0.000 4.075 121 K HA -0.165 4.164 4.320 0.015 0.000 0.278 121 K C -2.237 174.378 176.600 0.026 0.000 0.862 121 K CA -0.244 56.069 56.287 0.043 0.000 0.762 121 K CB -1.595 30.921 32.500 0.027 0.000 1.660 121 K HN 0.281 nan 8.250 nan 0.000 0.437 122 P HA -0.014 nan 4.420 nan 0.000 0.271 122 P C 0.421 177.710 177.300 -0.018 0.000 1.218 122 P CA -0.148 62.956 63.100 0.007 0.000 0.780 122 P CB 1.430 33.149 31.700 0.031 0.000 0.901 123 S N 0.587 116.270 115.700 -0.029 0.000 2.535 123 S HA 0.212 4.691 4.470 0.015 0.000 0.214 123 S C 0.528 175.114 174.600 -0.024 0.000 0.980 123 S CA -0.095 58.089 58.200 -0.028 0.000 0.907 123 S CB -0.053 63.128 63.200 -0.031 0.000 0.790 123 S HN 0.286 nan 8.310 nan 0.000 0.510 124 V N 1.302 121.201 119.914 -0.025 0.000 2.841 124 V HA 0.569 4.698 4.120 0.015 0.000 0.310 124 V C -1.139 174.958 176.094 0.005 0.000 1.090 124 V CA -0.765 61.529 62.300 -0.009 0.000 0.930 124 V CB 2.128 33.944 31.823 -0.012 0.000 1.014 124 V HN 0.140 nan 8.190 nan 0.000 0.425 125 V N 2.614 122.541 119.914 0.023 0.000 2.409 125 V HA 0.461 4.590 4.120 0.015 0.000 0.290 125 V C 0.004 176.140 176.094 0.070 0.000 1.017 125 V CA -0.305 62.021 62.300 0.043 0.000 0.841 125 V CB 1.812 33.654 31.823 0.032 0.000 1.003 125 V HN 0.867 nan 8.190 nan 0.000 0.426 126 S N 5.919 121.677 115.700 0.096 0.000 2.457 126 S HA 0.754 5.233 4.470 0.015 0.000 0.289 126 S C -0.594 174.093 174.600 0.145 0.000 1.163 126 S CA -0.379 57.886 58.200 0.109 0.000 1.078 126 S CB 0.343 63.612 63.200 0.115 0.000 0.987 126 S HN 0.559 nan 8.310 nan 0.000 0.482 127 I N 3.941 124.603 120.570 0.153 0.000 2.447 127 I HA 0.304 4.483 4.170 0.015 0.000 0.287 127 I C 0.065 176.306 176.117 0.208 0.000 1.023 127 I CA -0.359 61.087 61.300 0.243 0.000 1.083 127 I CB 2.261 40.439 38.000 0.297 0.000 1.245 127 I HN 0.524 nan 8.210 nan 0.000 0.434 128 S N 4.455 120.292 115.700 0.229 0.000 2.711 128 S HA 0.283 4.762 4.470 0.015 0.000 0.247 128 S C -0.934 173.593 174.600 -0.121 0.000 1.079 128 S CA -0.502 57.719 58.200 0.035 0.000 1.050 128 S CB 0.018 63.164 63.200 -0.090 0.000 0.885 128 S HN 0.479 nan 8.310 nan 0.000 0.498 129 W N 0.286 121.642 121.300 0.094 0.000 2.882 129 W HA 0.783 5.450 4.660 0.012 0.000 0.345 129 W C 0.405 177.147 176.519 0.373 0.000 1.125 129 W CA -0.368 57.017 57.345 0.067 0.000 1.167 129 W CB 1.297 30.568 29.460 -0.315 0.000 1.431 129 W HN 0.194 nan 8.180 nan 0.000 0.543 130 G N -0.458 108.742 108.800 0.667 0.000 2.313 130 G HA2 0.531 4.500 3.960 0.015 0.000 0.296 130 G HA3 0.531 4.500 3.960 0.015 0.000 0.296 130 G C -1.344 173.928 174.900 0.621 0.000 1.356 130 G CA -0.041 45.548 45.100 0.815 0.000 0.833 130 G HN 1.006 nan 8.290 nan 0.000 0.552 131 G N -1.063 108.176 108.800 0.731 0.000 2.677 131 G HA2 0.758 4.727 3.960 0.015 0.000 0.291 131 G HA3 0.758 4.727 3.960 0.015 0.000 0.291 131 G C -3.321 171.924 174.900 0.576 0.000 1.435 131 G CA -1.165 44.239 45.100 0.506 0.000 0.826 131 G HN 0.517 nan 8.290 nan 0.000 0.491 132 P HA -0.003 nan 4.420 nan 0.000 0.261 132 P C 1.003 178.567 177.300 0.440 0.000 1.165 132 P CA 0.442 63.735 63.100 0.321 0.000 0.759 132 P CB 0.562 32.343 31.700 0.136 0.000 0.772 133 E N 3.230 123.662 120.200 0.386 0.000 2.160 133 E HA -0.251 4.108 4.350 0.015 0.000 0.195 133 E C 0.657 177.396 176.600 0.230 0.000 0.991 133 E CA 1.373 57.960 56.400 0.311 0.000 0.810 133 E CB -0.539 29.310 29.700 0.249 0.000 0.742 133 E HN 0.493 nan 8.360 nan 0.000 0.466 134 D N 1.433 121.946 120.400 0.189 0.000 2.349 134 D HA -0.075 4.574 4.640 0.015 0.000 0.224 134 D C 1.417 177.787 176.300 0.117 0.000 1.029 134 D CA 0.877 54.946 54.000 0.114 0.000 0.879 134 D CB 0.241 41.091 40.800 0.082 0.000 0.906 134 D HN 0.307 nan 8.370 nan 0.000 0.528 135 S N -1.429 114.386 115.700 0.191 0.000 2.540 135 S HA 0.094 4.573 4.470 0.015 0.000 0.218 135 S C 0.115 174.764 174.600 0.082 0.000 0.977 135 S CA -0.924 57.341 58.200 0.109 0.000 0.918 135 S CB -0.334 62.908 63.200 0.071 0.000 0.806 135 S HN 0.129 nan 8.310 nan 0.000 0.496 136 W N 3.339 124.653 121.300 0.023 0.000 2.303 136 W HA 0.500 5.167 4.660 0.010 0.000 0.334 136 W C 1.046 177.548 176.519 -0.028 0.000 1.197 136 W CA -0.327 57.023 57.345 0.008 0.000 1.262 136 W CB 0.645 30.071 29.460 -0.057 0.000 1.153 136 W HN 0.136 nan 8.180 nan 0.000 0.596 137 T N -1.467 113.201 114.554 0.190 0.000 2.860 137 T HA 0.118 4.477 4.350 0.015 0.000 0.299 137 T C 1.008 175.766 174.700 0.096 0.000 1.045 137 T CA -0.362 61.801 62.100 0.105 0.000 1.071 137 T CB 1.143 70.053 68.868 0.070 0.000 0.985 137 T HN 0.354 nan 8.240 nan 0.000 0.537 138 S N 1.138 116.861 115.700 0.038 0.000 2.368 138 S HA -0.000 4.478 4.470 0.015 0.000 0.224 138 S C 2.456 177.062 174.600 0.011 0.000 1.029 138 S CA 0.913 59.114 58.200 0.002 0.000 0.988 138 S CB -0.865 62.327 63.200 -0.013 0.000 0.838 138 S HN 0.910 nan 8.310 nan 0.000 0.462 139 A N 1.151 123.988 122.820 0.029 0.000 2.014 139 A HA 0.267 4.596 4.320 0.015 0.000 0.218 139 A C 2.229 179.847 177.584 0.057 0.000 1.163 139 A CA 1.403 53.458 52.037 0.030 0.000 0.652 139 A CB -0.717 18.299 19.000 0.026 0.000 0.808 139 A HN 0.486 nan 8.150 nan 0.000 0.449 140 A N 0.221 123.108 122.820 0.112 0.000 1.897 140 A HA 0.032 4.360 4.320 0.015 0.000 0.215 140 A C 1.970 179.638 177.584 0.141 0.000 1.181 140 A CA 1.275 53.435 52.037 0.206 0.000 0.620 140 A CB -0.434 18.801 19.000 0.393 0.000 0.821 140 A HN 0.361 nan 8.150 nan 0.000 0.443 141 I N 0.380 120.971 120.570 0.035 0.000 2.068 141 I HA -0.336 3.843 4.170 0.015 0.000 0.238 141 I C 2.976 179.071 176.117 -0.037 0.000 1.046 141 I CA 1.881 63.065 61.300 -0.193 0.000 1.306 141 I CB -1.660 36.194 38.000 -0.243 0.000 1.023 141 I HN 0.374 nan 8.210 nan 0.000 0.399 142 A N 0.597 123.414 122.820 -0.004 0.000 1.902 142 A HA -0.126 4.203 4.320 0.015 0.000 0.217 142 A C 2.548 180.130 177.584 -0.003 0.000 1.181 142 A CA 2.251 54.299 52.037 0.019 0.000 0.623 142 A CB -0.863 18.141 19.000 0.007 0.000 0.818 142 A HN 0.478 nan 8.150 nan 0.000 0.443 143 A N -0.703 122.112 122.820 -0.008 0.000 1.902 143 A HA -0.114 4.215 4.320 0.015 0.000 0.217 143 A C 2.228 179.742 177.584 -0.117 0.000 1.181 143 A CA 1.858 53.872 52.037 -0.039 0.000 0.623 143 A CB -0.494 18.500 19.000 -0.009 0.000 0.818 143 A HN 0.469 nan 8.150 nan 0.000 0.443 144 M N -0.355 119.176 119.600 -0.116 0.000 2.117 144 M HA -0.138 4.351 4.480 0.015 0.000 0.262 144 M C 1.933 177.943 176.300 -0.483 0.000 1.065 144 M CA 1.279 56.361 55.300 -0.364 0.000 1.114 144 M CB -1.339 31.181 32.600 -0.134 0.000 1.361 144 M HN 0.542 nan 8.290 nan 0.000 0.408 145 N N 0.197 118.875 118.700 -0.037 0.000 2.244 145 N HA -0.173 4.576 4.740 0.015 0.000 0.183 145 N C 1.801 177.242 175.510 -0.117 0.000 1.016 145 N CA 0.877 53.969 53.050 0.070 0.000 0.866 145 N CB 0.082 38.688 38.487 0.197 0.000 0.980 145 N HN 0.208 nan 8.380 nan 0.000 0.430 146 R N 1.250 121.669 120.500 -0.135 0.000 2.092 146 R HA 0.007 4.356 4.340 0.015 0.000 0.231 146 R C 1.972 178.167 176.300 -0.176 0.000 1.119 146 R CA 1.522 57.537 56.100 -0.141 0.000 0.970 146 R CB -0.444 29.802 30.300 -0.089 0.000 0.864 146 R HN 0.111 nan 8.270 nan 0.000 0.440 147 A N -0.044 122.622 122.820 -0.257 0.000 1.873 147 A HA -0.067 4.262 4.320 0.015 0.000 0.215 147 A C 1.871 179.291 177.584 -0.273 0.000 1.186 147 A CA 1.311 53.180 52.037 -0.280 0.000 0.616 147 A CB -0.725 18.024 19.000 -0.418 0.000 0.823 147 A HN 0.371 nan 8.150 nan 0.000 0.442 148 F N -0.151 119.702 119.950 -0.163 0.000 2.171 148 F HA -0.069 4.481 4.527 0.039 0.000 0.300 148 F C 2.074 177.679 175.800 -0.325 0.000 1.090 148 F CA 0.484 58.362 58.000 -0.204 0.000 1.293 148 F CB -0.969 37.936 39.000 -0.159 0.000 1.013 148 F HN 0.123 nan 8.300 nan 0.000 0.486 149 L N -0.242 120.811 121.223 -0.284 0.000 2.017 149 L HA -0.253 4.096 4.340 0.015 0.000 0.208 149 L C 2.189 178.915 176.870 -0.241 0.000 1.073 149 L CA 1.503 56.063 54.840 -0.466 0.000 0.745 149 L CB -0.480 41.307 42.059 -0.455 0.000 0.894 149 L HN 0.027 nan 8.230 nan 0.000 0.432 150 D N -0.199 120.107 120.400 -0.158 0.000 2.104 150 D HA -0.190 4.459 4.640 0.015 0.000 0.194 150 D C 2.154 178.381 176.300 -0.122 0.000 0.994 150 D CA 1.467 55.407 54.000 -0.100 0.000 0.830 150 D CB -0.122 40.657 40.800 -0.035 0.000 0.959 150 D HN 0.396 nan 8.370 nan 0.000 0.452 151 A N 1.145 123.889 122.820 -0.126 0.000 1.865 151 A HA -0.142 4.187 4.320 0.015 0.000 0.217 151 A C 2.357 179.909 177.584 -0.054 0.000 1.191 151 A CA 2.764 54.748 52.037 -0.087 0.000 0.623 151 A CB -1.025 17.968 19.000 -0.011 0.000 0.826 151 A HN 0.246 nan 8.150 nan 0.000 0.444 152 A N -0.181 122.596 122.820 -0.071 0.000 1.892 152 A HA 0.026 4.355 4.320 0.015 0.000 0.218 152 A C 2.526 180.103 177.584 -0.011 0.000 1.188 152 A CA 2.653 54.667 52.037 -0.039 0.000 0.631 152 A CB -1.168 17.739 19.000 -0.154 0.000 0.822 152 A HN 1.260 nan 8.150 nan 0.000 0.447 153 A N -0.823 121.971 122.820 -0.043 0.000 2.019 153 A HA 0.053 4.381 4.320 0.015 0.000 0.219 153 A C 1.935 179.512 177.584 -0.012 0.000 1.164 153 A CA 1.406 53.431 52.037 -0.020 0.000 0.644 153 A CB -0.457 18.526 19.000 -0.028 0.000 0.805 153 A HN 0.489 nan 8.150 nan 0.000 0.449 154 L N -1.287 119.920 121.223 -0.027 0.000 2.592 154 L HA 0.223 4.572 4.340 0.015 0.000 0.227 154 L C 1.504 178.365 176.870 -0.015 0.000 1.127 154 L CA 0.437 55.263 54.840 -0.024 0.000 0.884 154 L CB -0.154 41.875 42.059 -0.051 0.000 1.065 154 L HN 0.553 nan 8.230 nan 0.000 0.457 155 G N 0.665 109.465 108.800 -0.001 0.000 2.160 155 G HA2 -0.234 3.735 3.960 0.015 0.000 0.244 155 G HA3 -0.234 3.735 3.960 0.015 0.000 0.244 155 G C 0.021 174.923 174.900 0.003 0.000 1.022 155 G CA 0.037 45.142 45.100 0.008 0.000 0.741 155 G HN 0.121 nan 8.290 nan 0.000 0.508 156 V N 1.234 121.147 119.914 -0.001 0.000 2.383 156 V HA 0.508 4.636 4.120 0.015 0.000 0.275 156 V C 0.849 176.956 176.094 0.021 0.000 1.036 156 V CA -0.108 62.189 62.300 -0.005 0.000 0.889 156 V CB 1.546 33.350 31.823 -0.031 0.000 0.985 156 V HN 0.315 nan 8.190 nan 0.000 0.459 157 T N 5.165 119.731 114.554 0.020 0.000 2.761 157 T HA 0.368 4.727 4.350 0.015 0.000 0.296 157 T C -0.046 174.669 174.700 0.025 0.000 0.934 157 T CA -0.155 61.965 62.100 0.033 0.000 1.091 157 T CB 0.848 69.725 68.868 0.015 0.000 0.896 157 T HN 0.396 nan 8.240 nan 0.000 0.515 158 V N 5.723 125.648 119.914 0.019 0.000 2.370 158 V HA 0.422 4.551 4.120 0.015 0.000 0.283 158 V C -0.246 175.819 176.094 -0.048 0.000 1.023 158 V CA -0.867 61.420 62.300 -0.020 0.000 0.857 158 V CB 0.904 32.683 31.823 -0.073 0.000 0.985 158 V HN 0.654 nan 8.190 nan 0.000 0.443 159 L N 4.481 125.700 121.223 -0.007 0.000 2.317 159 L HA 0.898 5.247 4.340 0.015 0.000 0.281 159 L C 0.227 177.101 176.870 0.006 0.000 1.024 159 L CA -0.137 54.714 54.840 0.017 0.000 0.810 159 L CB 1.792 43.898 42.059 0.079 0.000 1.240 159 L HN 0.767 nan 8.230 nan 0.000 0.427 160 A N 2.172 124.987 122.820 -0.009 0.000 2.393 160 A HA 0.882 5.211 4.320 0.015 0.000 0.306 160 A C -0.405 177.204 177.584 0.041 0.000 1.050 160 A CA -0.589 51.456 52.037 0.012 0.000 0.724 160 A CB 1.381 20.341 19.000 -0.067 0.000 1.248 160 A HN 0.780 nan 8.150 nan 0.000 0.424 161 A N 1.101 123.959 122.820 0.063 0.000 2.520 161 A HA 0.483 4.812 4.320 0.015 0.000 0.245 161 A C 1.308 178.948 177.584 0.093 0.000 1.072 161 A CA 0.425 52.500 52.037 0.063 0.000 0.761 161 A CB -0.026 19.000 19.000 0.042 0.000 1.004 161 A HN 2.101 nan 8.150 nan 0.000 0.499 162 A N 2.298 125.180 122.820 0.104 0.000 2.119 162 A HA 0.485 4.814 4.320 0.015 0.000 0.216 162 A C 1.321 178.994 177.584 0.149 0.000 1.152 162 A CA 1.308 53.418 52.037 0.122 0.000 0.708 162 A CB -0.680 18.390 19.000 0.118 0.000 0.805 162 A HN 2.740 nan 8.150 nan 0.000 0.460 163 G N -1.628 107.267 108.800 0.157 0.000 2.375 163 G HA2 0.091 4.060 3.960 0.015 0.000 0.663 163 G HA3 0.091 4.060 3.960 0.015 0.000 0.663 163 G C -0.601 174.420 174.900 0.202 0.000 1.391 163 G CA -0.229 44.971 45.100 0.166 0.000 0.949 163 G HN 0.070 nan 8.290 nan 0.000 0.646 164 N N -0.555 118.254 118.700 0.182 0.000 2.177 164 N HA 0.227 4.976 4.740 0.015 0.000 0.218 164 N C 0.896 176.413 175.510 0.012 0.000 1.182 164 N CA 0.485 53.678 53.050 0.238 0.000 0.882 164 N CB 1.150 39.825 38.487 0.313 0.000 1.052 164 N HN 0.357 nan 8.380 nan 0.000 0.519 165 S N 0.124 115.830 115.700 0.012 0.000 2.661 165 S HA 0.491 4.970 4.470 0.015 0.000 0.245 165 S C 0.803 175.389 174.600 -0.023 0.000 1.117 165 S CA -0.162 58.025 58.200 -0.022 0.000 1.091 165 S CB 0.635 63.859 63.200 0.040 0.000 0.887 165 S HN 0.545 nan 8.310 nan 0.000 0.491 166 G N 2.413 111.169 108.800 -0.074 0.000 2.698 166 G HA2 -0.293 3.676 3.960 0.015 0.000 0.233 166 G HA3 -0.293 3.676 3.960 0.015 0.000 0.233 166 G C 0.772 175.728 174.900 0.094 0.000 1.352 166 G CA -0.083 44.999 45.100 -0.030 0.000 0.879 166 G HN 0.861 nan 8.290 nan 0.000 0.567 167 S N -1.513 114.278 115.700 0.151 0.000 2.515 167 S HA 0.042 4.521 4.470 0.015 0.000 0.231 167 S C 2.002 176.804 174.600 0.337 0.000 0.987 167 S CA 2.010 60.378 58.200 0.280 0.000 0.936 167 S CB -0.295 63.072 63.200 0.277 0.000 0.766 167 S HN 1.743 nan 8.310 nan 0.000 0.528 168 T N -1.517 113.180 114.554 0.239 0.000 3.037 168 T HA 0.180 4.539 4.350 0.015 0.000 0.251 168 T C 0.457 175.315 174.700 0.263 0.000 1.079 168 T CA 0.400 62.630 62.100 0.217 0.000 1.067 168 T CB -0.508 68.420 68.868 0.100 0.000 0.948 168 T HN 0.346 nan 8.240 nan 0.000 0.496 169 D N 1.020 121.537 120.400 0.196 0.000 2.907 169 D HA -0.120 4.529 4.640 0.015 0.000 0.226 169 D C 1.205 177.586 176.300 0.134 0.000 1.141 169 D CA 1.486 55.592 54.000 0.177 0.000 0.779 169 D CB -1.548 39.393 40.800 0.236 0.000 1.095 169 D HN 0.803 nan 8.370 nan 0.000 0.430 170 G N -1.173 107.687 108.800 0.099 0.000 2.199 170 G HA2 -0.312 3.657 3.960 0.015 0.000 0.254 170 G HA3 -0.312 3.657 3.960 0.015 0.000 0.254 170 G C 0.081 175.014 174.900 0.055 0.000 0.982 170 G CA 0.364 45.506 45.100 0.069 0.000 0.632 170 G HN 0.511 nan 8.290 nan 0.000 0.529 171 E N 0.256 120.498 120.200 0.069 0.000 2.354 171 E HA 0.375 4.734 4.350 0.015 0.000 0.269 171 E C 0.886 177.518 176.600 0.054 0.000 1.036 171 E CA 0.315 56.730 56.400 0.026 0.000 0.876 171 E CB 0.647 30.300 29.700 -0.078 0.000 1.009 171 E HN 0.677 nan 8.360 nan 0.000 0.416 172 Q N 0.178 119.994 119.800 0.026 0.000 2.157 172 Q HA 0.061 4.410 4.340 0.015 0.000 0.229 172 Q C 0.035 176.044 176.000 0.015 0.000 0.827 172 Q CA -0.153 55.660 55.803 0.017 0.000 1.055 172 Q CB 0.194 28.936 28.738 0.008 0.000 1.157 172 Q HN 0.352 nan 8.270 nan 0.000 0.482 173 D N -0.160 120.265 120.400 0.041 0.000 2.339 173 D HA 0.135 4.784 4.640 0.015 0.000 0.217 173 D C 1.253 177.565 176.300 0.020 0.000 1.050 173 D CA 0.532 54.556 54.000 0.041 0.000 0.856 173 D CB 0.089 40.929 40.800 0.067 0.000 0.922 173 D HN 0.320 nan 8.370 nan 0.000 0.518 174 G N -0.100 108.689 108.800 -0.018 0.000 2.175 174 G HA2 -0.208 3.761 3.960 0.015 0.000 0.244 174 G HA3 -0.208 3.761 3.960 0.015 0.000 0.244 174 G C -0.006 174.753 174.900 -0.235 0.000 0.982 174 G CA 0.313 45.347 45.100 -0.111 0.000 0.641 174 G HN 0.339 nan 8.290 nan 0.000 0.527 175 L N -0.431 120.682 121.223 -0.184 0.000 2.365 175 L HA 0.639 4.988 4.340 0.015 0.000 0.267 175 L C 0.419 176.858 176.870 -0.719 0.000 1.033 175 L CA -1.072 53.529 54.840 -0.397 0.000 0.802 175 L CB 0.820 42.730 42.059 -0.249 0.000 1.267 175 L HN 0.066 nan 8.230 nan 0.000 0.457 176 Y N -0.047 120.000 120.300 -0.421 0.000 2.310 176 Y HA 0.423 4.980 4.550 0.013 0.000 0.326 176 Y C 0.301 175.882 175.900 -0.533 0.000 1.151 176 Y CA -0.295 57.619 58.100 -0.310 0.000 1.195 176 Y CB 0.801 39.199 38.460 -0.103 0.000 1.210 176 Y HN 0.320 nan 8.280 nan 0.000 0.483 177 H N 1.095 120.336 119.070 0.284 0.000 2.930 177 H HA 0.591 5.154 4.556 0.012 0.000 0.371 177 H C -1.083 174.383 175.328 0.230 0.000 1.169 177 H CA -0.988 55.193 56.048 0.220 0.000 1.157 177 H CB 1.827 31.688 29.762 0.166 0.000 1.789 177 H HN 0.498 nan 8.280 nan 0.000 0.547 178 V N -0.711 119.406 119.914 0.338 0.000 2.667 178 V HA 0.404 4.533 4.120 0.015 0.000 0.308 178 V C 0.061 176.336 176.094 0.302 0.000 1.048 178 V CA -0.948 61.520 62.300 0.279 0.000 0.928 178 V CB 2.029 33.994 31.823 0.235 0.000 1.004 178 V HN 0.639 nan 8.190 nan 0.000 0.444 179 D N 1.447 122.014 120.400 0.278 0.000 2.304 179 D HA 0.475 5.124 4.640 0.015 0.000 0.247 179 D C -1.159 175.339 176.300 0.331 0.000 1.089 179 D CA 0.055 54.243 54.000 0.313 0.000 0.910 179 D CB 1.168 42.127 40.800 0.265 0.000 1.199 179 D HN 0.601 nan 8.370 nan 0.000 0.426 180 F N 3.549 123.625 119.950 0.209 0.000 2.495 180 F HA 0.427 4.979 4.527 0.042 0.000 0.327 180 F C -1.768 174.089 175.800 0.095 0.000 1.103 180 F CA -2.350 55.648 58.000 -0.005 0.000 0.949 180 F CB 2.277 41.054 39.000 -0.371 0.000 1.142 180 F HN 0.262 nan 8.300 nan 0.000 0.457 181 P HA 0.075 nan 4.420 nan 0.000 0.253 181 P C 0.651 177.513 177.300 -0.730 0.000 1.260 181 P CA 0.646 62.891 63.100 -1.425 0.000 0.800 181 P CB 0.088 31.209 31.700 -0.966 0.000 1.162 182 A N 1.024 123.693 122.820 -0.251 0.000 2.019 182 A HA -0.030 4.299 4.320 0.015 0.000 0.219 182 A C 2.299 179.831 177.584 -0.087 0.000 1.164 182 A CA 1.719 53.681 52.037 -0.125 0.000 0.644 182 A CB -1.226 17.789 19.000 0.025 0.000 0.805 182 A HN 0.259 nan 8.150 nan 0.000 0.449 183 A N -0.538 122.288 122.820 0.010 0.000 2.119 183 A HA 0.196 4.525 4.320 0.015 0.000 0.217 183 A C 1.582 179.127 177.584 -0.065 0.000 1.153 183 A CA 0.888 53.013 52.037 0.148 0.000 0.692 183 A CB -0.657 18.602 19.000 0.431 0.000 0.799 183 A HN 0.556 nan 8.150 nan 0.000 0.458 184 S N 0.658 116.189 115.700 -0.282 0.000 2.552 184 S HA 0.151 4.630 4.470 0.015 0.000 0.289 184 S C -0.863 173.542 174.600 -0.326 0.000 1.304 184 S CA -0.593 57.288 58.200 -0.532 0.000 1.063 184 S CB 0.751 63.742 63.200 -0.349 0.000 0.848 184 S HN 0.306 nan 8.310 nan 0.000 0.499 185 P HA -0.056 nan 4.420 nan 0.000 0.223 185 P C 0.341 177.653 177.300 0.020 0.000 1.151 185 P CA 1.098 64.175 63.100 -0.038 0.000 0.787 185 P CB -0.095 31.530 31.700 -0.124 0.000 0.788 186 Y N -0.725 119.543 120.300 -0.055 0.000 2.471 186 Y HA 0.151 4.708 4.550 0.010 0.000 0.286 186 Y C 1.194 176.966 175.900 -0.213 0.000 1.188 186 Y CA -0.022 57.959 58.100 -0.199 0.000 1.286 186 Y CB 0.193 38.479 38.460 -0.290 0.000 1.072 186 Y HN -0.256 nan 8.280 nan 0.000 0.517 187 V N 1.210 121.030 119.914 -0.157 0.000 2.715 187 V HA 0.232 4.361 4.120 0.015 0.000 0.310 187 V C -0.633 175.419 176.094 -0.071 0.000 1.054 187 V CA -1.199 60.941 62.300 -0.266 0.000 0.928 187 V CB 2.136 33.607 31.823 -0.586 0.000 1.007 187 V HN -0.142 nan 8.190 nan 0.000 0.437 188 L N 5.243 126.439 121.223 -0.044 0.000 2.312 188 L HA 0.572 4.921 4.340 0.015 0.000 0.287 188 L C 0.439 177.331 176.870 0.036 0.000 1.091 188 L CA -0.310 54.540 54.840 0.016 0.000 0.846 188 L CB -0.047 42.023 42.059 0.017 0.000 1.219 188 L HN 0.754 nan 8.230 nan 0.000 0.439 189 A N 5.313 128.173 122.820 0.066 0.000 2.362 189 A HA 0.432 4.761 4.320 0.015 0.000 0.276 189 A C -0.105 177.547 177.584 0.114 0.000 1.153 189 A CA -0.324 51.757 52.037 0.074 0.000 0.813 189 A CB -0.060 18.994 19.000 0.090 0.000 1.081 189 A HN 0.813 nan 8.150 nan 0.000 0.507 190 C N 3.287 122.651 119.300 0.107 0.000 2.251 190 C HA 0.670 5.139 4.460 0.015 0.000 0.323 190 C C 1.221 176.272 174.990 0.101 0.000 1.241 190 C CA -0.408 58.686 59.018 0.127 0.000 1.601 190 C CB 0.155 27.948 27.740 0.089 0.000 2.251 190 C HN 1.048 nan 8.230 nan 0.000 0.488 191 G N 2.021 110.887 108.800 0.110 0.000 2.522 191 G HA2 0.684 4.653 3.960 0.015 0.000 0.304 191 G HA3 0.684 4.653 3.960 0.015 0.000 0.304 191 G C -0.221 174.757 174.900 0.131 0.000 1.210 191 G CA -0.318 44.847 45.100 0.109 0.000 0.960 191 G HN 1.014 nan 8.290 nan 0.000 0.497 192 G N -1.062 107.854 108.800 0.194 0.000 2.591 192 G HA2 0.660 4.629 3.960 0.015 0.000 0.306 192 G HA3 0.660 4.629 3.960 0.015 0.000 0.306 192 G C -0.356 174.703 174.900 0.264 0.000 1.334 192 G CA 0.062 45.302 45.100 0.233 0.000 0.981 192 G HN 0.964 nan 8.290 nan 0.000 0.491 193 T N -1.588 113.082 114.554 0.194 0.000 2.888 193 T HA 0.682 5.041 4.350 0.015 0.000 0.288 193 T C -0.266 174.530 174.700 0.160 0.000 1.063 193 T CA -0.973 61.245 62.100 0.198 0.000 1.010 193 T CB 2.163 71.131 68.868 0.167 0.000 1.214 193 T HN 0.638 nan 8.240 nan 0.000 0.533 194 R N 0.881 121.480 120.500 0.164 0.000 2.207 194 R HA 0.586 4.935 4.340 0.015 0.000 0.334 194 R C -1.347 175.003 176.300 0.083 0.000 1.013 194 R CA -0.822 55.346 56.100 0.114 0.000 0.858 194 R CB 0.423 30.808 30.300 0.143 0.000 1.094 194 R HN 0.603 nan 8.270 nan 0.000 0.457 195 L N 5.626 126.873 121.223 0.040 0.000 2.296 195 L HA 0.378 4.727 4.340 0.015 0.000 0.286 195 L C -1.305 175.602 176.870 0.063 0.000 1.023 195 L CA -0.468 54.373 54.840 0.001 0.000 0.812 195 L CB 1.960 43.925 42.059 -0.157 0.000 1.223 195 L HN 0.428 nan 8.230 nan 0.000 0.421 196 V N 5.647 125.594 119.914 0.054 0.000 2.293 196 V HA 0.859 4.988 4.120 0.015 0.000 0.275 196 V C 0.184 176.306 176.094 0.048 0.000 1.021 196 V CA -0.103 62.249 62.300 0.087 0.000 0.815 196 V CB 0.466 32.323 31.823 0.056 0.000 1.025 196 V HN 0.954 nan 8.190 nan 0.000 0.448 197 A N 3.992 126.871 122.820 0.099 0.000 2.498 197 A HA 1.029 5.358 4.320 0.015 0.000 0.298 197 A C -0.312 177.316 177.584 0.072 0.000 1.075 197 A CA -0.288 51.756 52.037 0.011 0.000 0.714 197 A CB 2.283 21.189 19.000 -0.156 0.000 1.299 197 A HN 1.256 nan 8.150 nan 0.000 0.407 198 S N -0.331 115.379 115.700 0.017 0.000 2.556 198 S HA 0.554 5.033 4.470 0.015 0.000 0.280 198 S C 0.403 175.001 174.600 -0.003 0.000 1.141 198 S CA 0.476 58.686 58.200 0.017 0.000 0.883 198 S CB 0.791 63.998 63.200 0.012 0.000 1.103 198 S HN 2.773 nan 8.310 nan 0.000 0.453 199 G N 1.299 110.096 108.800 -0.005 0.000 2.187 199 G HA2 0.166 4.135 3.960 0.015 0.000 0.261 199 G HA3 0.166 4.135 3.960 0.015 0.000 0.261 199 G C 1.567 176.458 174.900 -0.015 0.000 1.000 199 G CA 1.086 46.181 45.100 -0.009 0.000 0.718 199 G HN 2.649 nan 8.290 nan 0.000 0.519 200 G N -1.353 107.430 108.800 -0.028 0.000 2.159 200 G HA2 -0.261 3.708 3.960 0.015 0.000 0.256 200 G HA3 -0.261 3.708 3.960 0.015 0.000 0.256 200 G C 0.329 175.207 174.900 -0.038 0.000 0.977 200 G CA 1.291 46.367 45.100 -0.041 0.000 0.652 200 G HN 1.345 nan 8.290 nan 0.000 0.531 201 R N 0.078 120.560 120.500 -0.031 0.000 2.460 201 R HA 0.650 4.999 4.340 0.015 0.000 0.303 201 R C 0.133 176.404 176.300 -0.048 0.000 0.968 201 R CA -1.075 55.010 56.100 -0.025 0.000 0.889 201 R CB 0.516 30.813 30.300 -0.004 0.000 1.123 201 R HN 0.162 nan 8.270 nan 0.000 0.455 202 I N 4.755 125.284 120.570 -0.069 0.000 2.406 202 I HA 0.001 4.180 4.170 0.015 0.000 0.293 202 I C 1.249 177.342 176.117 -0.040 0.000 1.101 202 I CA 0.113 61.348 61.300 -0.109 0.000 1.334 202 I CB 1.420 39.254 38.000 -0.275 0.000 1.421 202 I HN 0.836 nan 8.210 nan 0.000 0.513 203 A N 6.359 129.170 122.820 -0.015 0.000 1.854 203 A HA -0.014 4.315 4.320 0.015 0.000 0.214 203 A C 0.704 178.311 177.584 0.039 0.000 1.192 203 A CA 1.114 53.162 52.037 0.018 0.000 0.611 203 A CB 0.024 19.036 19.000 0.020 0.000 0.832 203 A HN 0.759 nan 8.150 nan 0.000 0.442 204 Q N -1.985 117.838 119.800 0.037 0.000 2.416 204 Q HA 0.680 5.029 4.340 0.015 0.000 0.281 204 Q C -1.292 174.750 176.000 0.070 0.000 1.067 204 Q CA -0.496 55.348 55.803 0.069 0.000 0.809 204 Q CB 2.197 30.975 28.738 0.066 0.000 1.418 204 Q HN 0.379 nan 8.270 nan 0.000 0.411 205 E N 1.079 121.354 120.200 0.125 0.000 2.313 205 E HA 0.404 4.763 4.350 0.015 0.000 0.280 205 E C -1.538 175.156 176.600 0.156 0.000 0.898 205 E CA -0.266 56.218 56.400 0.141 0.000 0.803 205 E CB 1.384 31.176 29.700 0.154 0.000 1.286 205 E HN 0.738 nan 8.360 nan 0.000 0.401 206 T N -0.939 113.692 114.554 0.128 0.000 2.864 206 T HA 0.493 4.852 4.350 0.015 0.000 0.289 206 T C -0.044 174.732 174.700 0.127 0.000 1.082 206 T CA -0.791 61.376 62.100 0.112 0.000 1.009 206 T CB 1.081 70.005 68.868 0.093 0.000 1.234 206 T HN 0.130 nan 8.240 nan 0.000 0.526 207 V N 1.488 121.465 119.914 0.105 0.000 2.617 207 V HA 0.052 4.181 4.120 0.015 0.000 0.304 207 V C 0.215 176.428 176.094 0.199 0.000 1.040 207 V CA -0.350 62.024 62.300 0.122 0.000 1.149 207 V CB -0.409 31.451 31.823 0.063 0.000 0.914 207 V HN 0.839 nan 8.190 nan 0.000 0.487 208 W N 7.455 128.778 121.300 0.039 0.000 2.565 208 W HA 0.291 4.953 4.660 0.003 0.000 0.325 208 W C 0.128 176.670 176.519 0.039 0.000 1.408 208 W CA -0.444 56.925 57.345 0.041 0.000 1.350 208 W CB -0.253 29.235 29.460 0.047 0.000 1.426 208 W HN 0.662 nan 8.180 nan 0.000 0.538 209 N N 5.100 123.755 118.700 -0.075 0.000 2.571 209 N HA 0.112 4.861 4.740 0.015 0.000 0.286 209 N C -1.155 174.275 175.510 -0.133 0.000 1.138 209 N CA -0.253 52.637 53.050 -0.268 0.000 0.859 209 N CB 1.014 39.428 38.487 -0.122 0.000 1.414 209 N HN 0.324 nan 8.380 nan 0.000 0.529 210 D N 2.120 122.397 120.400 -0.204 0.000 2.559 210 D HA 0.321 4.970 4.640 0.015 0.000 0.234 210 D C 0.897 177.173 176.300 -0.041 0.000 1.226 210 D CA 0.339 54.332 54.000 -0.011 0.000 0.830 210 D CB 0.163 41.048 40.800 0.143 0.000 1.028 210 D HN 0.886 nan 8.370 nan 0.000 0.492 211 G N 1.836 110.584 108.800 -0.087 0.000 2.855 211 G HA2 -0.237 3.732 3.960 0.015 0.000 0.352 211 G HA3 -0.237 3.732 3.960 0.015 0.000 0.352 211 G C -1.933 172.929 174.900 -0.064 0.000 1.415 211 G CA -0.844 44.220 45.100 -0.060 0.000 0.871 211 G HN -0.008 nan 8.290 nan 0.000 0.543 212 P HA -0.003 nan 4.420 nan 0.000 0.220 212 P C 1.096 178.386 177.300 -0.017 0.000 1.144 212 P CA 1.706 64.787 63.100 -0.030 0.000 0.800 212 P CB 0.126 31.817 31.700 -0.015 0.000 0.772 213 D N -1.976 118.420 120.400 -0.006 0.000 2.327 213 D HA 0.068 4.717 4.640 0.015 0.000 0.205 213 D C 1.853 178.173 176.300 0.033 0.000 0.989 213 D CA 0.784 54.793 54.000 0.014 0.000 0.873 213 D CB 0.109 40.920 40.800 0.018 0.000 0.955 213 D HN 0.181 nan 8.370 nan 0.000 0.515 214 G N -0.150 108.669 108.800 0.032 0.000 3.044 214 G HA2 0.400 4.369 3.960 0.015 0.000 0.223 214 G HA3 0.400 4.369 3.960 0.015 0.000 0.223 214 G C 0.803 175.787 174.900 0.141 0.000 1.123 214 G CA 0.415 45.577 45.100 0.102 0.000 0.765 214 G HN 0.445 nan 8.290 nan 0.000 0.546 215 G N -1.048 107.725 108.800 -0.044 0.000 2.795 215 G HA2 0.441 4.410 3.960 0.015 0.000 0.664 215 G HA3 0.441 4.410 3.960 0.015 0.000 0.664 215 G C -0.294 174.045 174.900 -0.935 0.000 1.381 215 G CA -0.339 44.604 45.100 -0.263 0.000 0.853 215 G HN 1.602 nan 8.290 nan 0.000 0.545 216 A N -0.950 121.087 122.820 -1.304 0.000 2.612 216 A HA 0.957 5.286 4.320 0.015 0.000 0.293 216 A C 0.126 177.125 177.584 -0.975 0.000 1.075 216 A CA 0.821 51.969 52.037 -1.481 0.000 0.680 216 A CB 1.337 19.962 19.000 -0.625 0.000 1.279 216 A HN 2.404 nan 8.150 nan 0.000 0.411 217 T N 0.656 114.993 114.554 -0.362 0.000 2.916 217 T HA 0.460 4.819 4.350 0.015 0.000 0.303 217 T C 0.942 175.672 174.700 0.050 0.000 1.025 217 T CA 0.803 62.990 62.100 0.145 0.000 1.142 217 T CB -0.073 68.959 68.868 0.273 0.000 0.947 217 T HN 1.505 nan 8.240 nan 0.000 0.544 218 G N 1.880 110.748 108.800 0.113 0.000 2.651 218 G HA2 0.581 4.550 3.960 0.015 0.000 0.260 218 G HA3 0.581 4.550 3.960 0.015 0.000 0.260 218 G C 0.246 175.206 174.900 0.100 0.000 1.216 218 G CA -0.108 45.060 45.100 0.113 0.000 0.913 218 G HN 1.279 nan 8.290 nan 0.000 0.535 219 G N -2.395 106.469 108.800 0.107 0.000 2.352 219 G HA2 0.685 4.654 3.960 0.015 0.000 0.305 219 G HA3 0.685 4.654 3.960 0.015 0.000 0.305 219 G C -0.234 174.666 174.900 0.001 0.000 1.537 219 G CA 0.463 45.586 45.100 0.038 0.000 0.959 219 G HN 2.307 nan 8.290 nan 0.000 0.668 220 G N -1.932 106.748 108.800 -0.199 0.000 2.347 220 G HA2 0.541 4.510 3.960 0.015 0.000 0.224 220 G HA3 0.541 4.510 3.960 0.015 0.000 0.224 220 G C -1.554 173.190 174.900 -0.260 0.000 1.318 220 G CA 0.571 45.334 45.100 -0.563 0.000 1.016 220 G HN 1.824 nan 8.290 nan 0.000 0.469 221 V N 0.635 120.481 119.914 -0.114 0.000 2.638 221 V HA 0.693 4.822 4.120 0.015 0.000 0.306 221 V C 0.584 176.729 176.094 0.086 0.000 1.052 221 V CA -0.125 62.177 62.300 0.004 0.000 0.885 221 V CB 1.386 33.206 31.823 -0.005 0.000 0.999 221 V HN 1.208 nan 8.190 nan 0.000 0.424 222 S N 3.540 119.301 115.700 0.102 0.000 2.564 222 S HA 0.330 4.809 4.470 0.015 0.000 0.278 222 S C 0.843 175.497 174.600 0.090 0.000 1.333 222 S CA -0.196 58.093 58.200 0.149 0.000 1.048 222 S CB 0.522 63.875 63.200 0.254 0.000 0.900 222 S HN 0.709 nan 8.310 nan 0.000 0.505 223 R N 3.266 123.812 120.500 0.078 0.000 2.397 223 R HA 0.405 4.754 4.340 0.015 0.000 0.241 223 R C 1.052 177.328 176.300 -0.040 0.000 0.914 223 R CA 0.185 56.304 56.100 0.031 0.000 1.071 223 R CB 0.130 30.463 30.300 0.055 0.000 1.116 223 R HN 0.636 nan 8.270 nan 0.000 0.524 224 I N -0.800 119.711 120.570 -0.098 0.000 3.300 224 I HA 0.134 4.313 4.170 0.015 0.000 0.279 224 I C -0.081 175.763 176.117 -0.454 0.000 1.172 224 I CA 0.399 61.493 61.300 -0.342 0.000 1.431 224 I CB 0.361 38.024 38.000 -0.561 0.000 1.240 224 I HN -0.087 nan 8.210 nan 0.000 0.453 225 F N 2.939 122.892 119.950 0.005 0.000 2.421 225 F HA 0.410 4.950 4.527 0.022 0.000 0.337 225 F C -2.180 173.588 175.800 -0.054 0.000 1.105 225 F CA -2.911 55.083 58.000 -0.010 0.000 1.049 225 F CB 0.255 39.267 39.000 0.020 0.000 1.139 225 F HN -0.209 nan 8.300 nan 0.000 0.479 226 P HA 0.084 nan 4.420 nan 0.000 0.274 226 P C -0.598 176.635 177.300 -0.112 0.000 1.237 226 P CA -0.480 62.606 63.100 -0.023 0.000 0.793 226 P CB 1.002 32.683 31.700 -0.032 0.000 0.977 227 L N 3.882 124.993 121.223 -0.187 0.000 2.615 227 L HA 0.155 4.504 4.340 0.015 0.000 0.271 227 L C -2.199 174.412 176.870 -0.432 0.000 1.183 227 L CA -1.121 53.521 54.840 -0.329 0.000 0.933 227 L CB -1.143 40.733 42.059 -0.304 0.000 1.199 227 L HN 0.261 nan 8.230 nan 0.000 0.487 228 P HA 0.144 nan 4.420 nan 0.000 0.272 228 P C 0.255 177.052 177.300 -0.839 0.000 1.223 228 P CA 0.029 62.589 63.100 -0.900 0.000 0.784 228 P CB 0.744 31.373 31.700 -1.785 0.000 0.923 229 A N 3.024 125.521 122.820 -0.538 0.000 1.958 229 A HA -0.174 4.155 4.320 0.015 0.000 0.221 229 A C 1.574 179.014 177.584 -0.239 0.000 1.178 229 A CA 1.685 53.558 52.037 -0.273 0.000 0.642 229 A CB -1.467 17.502 19.000 -0.050 0.000 0.816 229 A HN 0.816 nan 8.150 nan 0.000 0.453 230 W N -1.471 119.715 121.300 -0.189 0.000 3.180 230 W HA 0.191 4.856 4.660 0.008 0.000 0.254 230 W C 0.914 177.221 176.519 -0.354 0.000 1.318 230 W CA 0.502 57.726 57.345 -0.201 0.000 1.608 230 W CB -0.601 28.722 29.460 -0.229 0.000 1.124 230 W HN 0.416 nan 8.180 nan 0.000 0.694 231 Q N 0.796 120.206 119.800 -0.650 0.000 2.219 231 Q HA 0.025 4.374 4.340 0.015 0.000 0.209 231 Q C 1.199 176.906 176.000 -0.488 0.000 0.854 231 Q CA 0.028 55.402 55.803 -0.715 0.000 0.960 231 Q CB 0.289 28.413 28.738 -1.024 0.000 1.116 231 Q HN 0.376 nan 8.270 nan 0.000 0.500 232 E N -0.187 119.761 120.200 -0.419 0.000 2.347 232 E HA -0.112 4.247 4.350 0.015 0.000 0.196 232 E C 0.564 176.777 176.600 -0.645 0.000 1.008 232 E CA 0.678 56.754 56.400 -0.541 0.000 0.852 232 E CB 0.301 29.633 29.700 -0.614 0.000 0.783 232 E HN 0.416 nan 8.360 nan 0.000 0.505 233 H N -1.842 117.163 119.070 -0.109 0.000 2.581 233 H HA 0.374 4.939 4.556 0.014 0.000 0.275 233 H C 0.461 175.777 175.328 -0.020 0.000 1.126 233 H CA 0.209 56.231 56.048 -0.044 0.000 1.097 233 H CB 1.032 30.792 29.762 -0.003 0.000 1.626 233 H HN 0.054 nan 8.280 nan 0.000 0.565 234 A N 1.022 123.825 122.820 -0.029 0.000 2.465 234 A HA 0.068 4.397 4.320 0.015 0.000 0.255 234 A C 0.540 178.104 177.584 -0.034 0.000 1.274 234 A CA -0.487 51.545 52.037 -0.008 0.000 0.920 234 A CB -0.060 18.860 19.000 -0.132 0.000 1.033 234 A HN 0.366 nan 8.150 nan 0.000 0.516 235 N N -0.041 118.623 118.700 -0.060 0.000 2.714 235 N HA -0.134 4.615 4.740 0.015 0.000 0.252 235 N C -0.191 175.313 175.510 -0.010 0.000 1.014 235 N CA 0.883 53.922 53.050 -0.019 0.000 0.735 235 N CB -1.582 36.940 38.487 0.059 0.000 0.924 235 N HN 0.271 nan 8.380 nan 0.000 0.540 236 V N 1.582 121.372 119.914 -0.207 0.000 2.529 236 V HA 0.111 4.240 4.120 0.015 0.000 0.292 236 V C -0.725 175.331 176.094 -0.063 0.000 1.028 236 V CA -0.555 61.608 62.300 -0.229 0.000 1.074 236 V CB 0.514 32.018 31.823 -0.530 0.000 0.958 236 V HN 0.241 nan 8.190 nan 0.000 0.481 237 P HA 0.410 nan 4.420 nan 0.000 0.279 237 P C -2.726 174.587 177.300 0.021 0.000 1.282 237 P CA -1.735 61.393 63.100 0.046 0.000 0.788 237 P CB -0.035 31.734 31.700 0.115 0.000 1.139 238 P HA 0.032 nan 4.420 nan 0.000 0.272 238 P C 0.202 177.555 177.300 0.090 0.000 1.240 238 P CA -0.078 63.042 63.100 0.034 0.000 0.791 238 P CB 0.132 31.849 31.700 0.028 0.000 0.978 239 S N 0.282 116.039 115.700 0.094 0.000 2.563 239 S HA 0.168 4.647 4.470 0.015 0.000 0.284 239 S C 1.569 176.267 174.600 0.163 0.000 1.331 239 S CA 0.095 58.398 58.200 0.171 0.000 1.047 239 S CB -0.216 63.070 63.200 0.143 0.000 0.859 239 S HN 0.477 nan 8.310 nan 0.000 0.514 240 A N 4.754 127.686 122.820 0.187 0.000 2.121 240 A HA 0.027 4.356 4.320 0.015 0.000 0.218 240 A C 0.970 178.619 177.584 0.107 0.000 1.154 240 A CA 0.473 52.527 52.037 0.027 0.000 0.679 240 A CB -0.580 18.190 19.000 -0.383 0.000 0.795 240 A HN 0.842 nan 8.150 nan 0.000 0.458 241 N N 1.065 119.859 118.700 0.157 0.000 2.441 241 N HA 0.203 4.952 4.740 0.015 0.000 0.251 241 N C -2.795 172.756 175.510 0.069 0.000 1.242 241 N CA -1.015 52.105 53.050 0.115 0.000 0.898 241 N CB -0.102 38.431 38.487 0.077 0.000 1.100 241 N HN 0.080 nan 8.380 nan 0.000 0.443 242 P HA 0.069 nan 4.420 nan 0.000 0.265 242 P C 0.894 178.212 177.300 0.029 0.000 1.193 242 P CA 0.503 63.623 63.100 0.033 0.000 0.765 242 P CB 0.364 32.078 31.700 0.023 0.000 0.823 243 G N 1.725 110.539 108.800 0.024 0.000 2.205 243 G HA2 -0.225 3.744 3.960 0.015 0.000 0.261 243 G HA3 -0.225 3.744 3.960 0.015 0.000 0.261 243 G C 0.463 175.374 174.900 0.019 0.000 0.980 243 G CA 0.035 45.146 45.100 0.018 0.000 0.632 243 G HN 0.869 nan 8.290 nan 0.000 0.533 244 A N 0.449 123.287 122.820 0.030 0.000 2.477 244 A HA 0.709 5.038 4.320 0.015 0.000 0.246 244 A C 1.005 178.602 177.584 0.022 0.000 1.078 244 A CA 1.164 53.221 52.037 0.033 0.000 0.770 244 A CB 0.377 19.411 19.000 0.058 0.000 1.011 244 A HN 1.030 nan 8.150 nan 0.000 0.494 245 S N 0.757 116.464 115.700 0.011 0.000 2.607 245 S HA 0.393 4.872 4.470 0.015 0.000 0.272 245 S C 0.707 175.299 174.600 -0.012 0.000 1.166 245 S CA -0.517 57.680 58.200 -0.006 0.000 1.021 245 S CB 0.445 63.636 63.200 -0.016 0.000 1.113 245 S HN 0.741 nan 8.310 nan 0.000 0.531 246 S N 0.150 115.829 115.700 -0.035 0.000 2.528 246 S HA 0.611 5.090 4.470 0.015 0.000 0.277 246 S C 0.249 174.812 174.600 -0.062 0.000 1.297 246 S CA -0.359 57.805 58.200 -0.061 0.000 1.052 246 S CB 0.266 63.412 63.200 -0.090 0.000 0.917 246 S HN 0.786 nan 8.310 nan 0.000 0.492 247 G N 2.345 111.103 108.800 -0.070 0.000 2.766 247 G HA2 0.447 4.416 3.960 0.015 0.000 0.288 247 G HA3 0.447 4.416 3.960 0.015 0.000 0.288 247 G C -1.096 173.739 174.900 -0.108 0.000 1.408 247 G CA -0.846 44.222 45.100 -0.054 0.000 0.852 247 G HN 0.568 nan 8.290 nan 0.000 0.487 248 R N 0.363 120.819 120.500 -0.072 0.000 2.473 248 R HA 0.169 4.518 4.340 0.015 0.000 0.315 248 R C 0.579 176.823 176.300 -0.093 0.000 0.972 248 R CA 0.265 56.279 56.100 -0.144 0.000 1.047 248 R CB -0.166 30.110 30.300 -0.040 0.000 0.932 248 R HN 0.612 nan 8.270 nan 0.000 0.411 249 G N 2.930 111.610 108.800 -0.200 0.000 2.403 249 G HA2 0.374 4.343 3.960 0.015 0.000 0.259 249 G HA3 0.374 4.343 3.960 0.015 0.000 0.259 249 G C -0.723 174.379 174.900 0.337 0.000 1.244 249 G CA -0.505 44.600 45.100 0.009 0.000 0.849 249 G HN 0.432 nan 8.290 nan 0.000 0.532 250 V N 5.621 125.765 119.914 0.384 0.000 2.540 250 V HA 0.519 4.648 4.120 0.015 0.000 0.302 250 V C -1.827 174.363 176.094 0.160 0.000 1.035 250 V CA -1.224 61.241 62.300 0.274 0.000 0.873 250 V CB 2.266 34.182 31.823 0.156 0.000 0.992 250 V HN 0.732 nan 8.190 nan 0.000 0.428 251 P HA 0.500 nan 4.420 nan 0.000 0.338 251 P C -0.435 177.067 177.300 0.336 0.000 1.273 251 P CA -0.255 62.956 63.100 0.185 0.000 0.778 251 P CB 2.044 33.796 31.700 0.086 0.000 1.452 252 D N -1.431 119.131 120.400 0.270 0.000 2.394 252 D HA 0.249 4.898 4.640 0.015 0.000 0.226 252 D C 0.706 177.017 176.300 0.018 0.000 0.990 252 D CA 0.885 55.073 54.000 0.314 0.000 0.902 252 D CB 0.543 41.514 40.800 0.285 0.000 1.038 252 D HN 0.192 nan 8.370 nan 0.000 0.499 253 L N -0.439 120.790 121.223 0.010 0.000 2.322 253 L HA 0.732 5.081 4.340 0.015 0.000 0.252 253 L C -1.079 175.851 176.870 0.101 0.000 1.055 253 L CA -0.945 53.874 54.840 -0.036 0.000 0.849 253 L CB 2.398 44.428 42.059 -0.049 0.000 1.446 253 L HN -0.130 nan 8.230 nan 0.000 0.416 254 A N -0.376 122.538 122.820 0.157 0.000 2.609 254 A HA 0.939 5.268 4.320 0.015 0.000 0.291 254 A C -0.973 176.777 177.584 0.277 0.000 1.096 254 A CA 0.022 52.182 52.037 0.206 0.000 0.684 254 A CB 1.933 20.986 19.000 0.088 0.000 1.282 254 A HN 0.803 nan 8.150 nan 0.000 0.412 255 G N -0.320 108.585 108.800 0.176 0.000 2.682 255 G HA2 0.479 4.448 3.960 0.015 0.000 0.290 255 G HA3 0.479 4.448 3.960 0.015 0.000 0.290 255 G C -1.025 173.981 174.900 0.177 0.000 1.425 255 G CA -0.708 44.512 45.100 0.200 0.000 0.807 255 G HN 0.990 nan 8.290 nan 0.000 0.482 256 N N -0.221 118.636 118.700 0.261 0.000 2.365 256 N HA 0.346 5.095 4.740 0.015 0.000 0.265 256 N C 0.767 176.294 175.510 0.027 0.000 1.288 256 N CA 1.075 54.161 53.050 0.060 0.000 0.869 256 N CB 1.121 39.520 38.487 -0.146 0.000 1.071 256 N HN 0.772 nan 8.380 nan 0.000 0.480 257 A N 2.867 125.603 122.820 -0.141 0.000 2.425 257 A HA 0.099 4.428 4.320 0.015 0.000 0.201 257 A C 0.161 177.187 177.584 -0.931 0.000 1.431 257 A CA -0.312 51.487 52.037 -0.397 0.000 1.066 257 A CB 0.003 18.780 19.000 -0.372 0.000 1.318 257 A HN 0.645 nan 8.150 nan 0.000 0.534 258 D N 1.317 121.271 120.400 -0.743 0.000 2.346 258 D HA 0.230 4.879 4.640 0.015 0.000 0.260 258 D C -1.743 174.347 176.300 -0.349 0.000 1.252 258 D CA -1.639 51.920 54.000 -0.735 0.000 0.895 258 D CB 1.317 42.032 40.800 -0.143 0.000 1.097 258 D HN 0.020 nan 8.370 nan 0.000 0.489 259 P HA -0.131 nan 4.420 nan 0.000 0.218 259 P C 0.923 178.198 177.300 -0.041 0.000 1.146 259 P CA 1.142 64.184 63.100 -0.097 0.000 0.813 259 P CB 0.198 31.896 31.700 -0.004 0.000 0.778 260 A N -0.636 122.184 122.820 -0.001 0.000 2.076 260 A HA -0.115 4.214 4.320 0.015 0.000 0.220 260 A C 1.532 179.096 177.584 -0.032 0.000 1.160 260 A CA 2.088 54.130 52.037 0.010 0.000 0.653 260 A CB -1.363 17.671 19.000 0.056 0.000 0.801 260 A HN 0.343 nan 8.150 nan 0.000 0.455 261 T N -3.628 110.897 114.554 -0.049 0.000 3.697 261 T HA 0.539 4.898 4.350 0.015 0.000 0.260 261 T C 0.447 175.104 174.700 -0.072 0.000 0.998 261 T CA 0.184 62.255 62.100 -0.047 0.000 1.128 261 T CB 0.113 69.015 68.868 0.058 0.000 1.082 261 T HN 0.431 nan 8.240 nan 0.000 0.541 262 G N 0.489 109.216 108.800 -0.121 0.000 2.510 262 G HA2 0.553 4.521 3.960 0.015 0.000 0.280 262 G HA3 0.553 4.521 3.960 0.015 0.000 0.280 262 G C -1.161 173.609 174.900 -0.217 0.000 1.386 262 G CA -0.998 44.005 45.100 -0.162 0.000 1.047 262 G HN 0.468 nan 8.290 nan 0.000 0.527 263 Y N 0.260 120.546 120.300 -0.024 0.000 2.326 263 Y HA 0.298 4.865 4.550 0.028 0.000 0.337 263 Y C 0.629 176.525 175.900 -0.007 0.000 1.023 263 Y CA -0.271 57.826 58.100 -0.006 0.000 1.143 263 Y CB 1.225 39.659 38.460 -0.044 0.000 1.183 263 Y HN 0.389 nan 8.280 nan 0.000 0.485 264 E N 3.670 123.959 120.200 0.147 0.000 2.104 264 E HA 0.311 4.670 4.350 0.015 0.000 0.278 264 E C -0.645 176.063 176.600 0.181 0.000 1.127 264 E CA -0.374 56.099 56.400 0.121 0.000 0.897 264 E CB 0.418 30.175 29.700 0.095 0.000 1.043 264 E HN 0.453 nan 8.360 nan 0.000 0.410 265 V N -0.050 119.896 119.914 0.052 0.000 3.126 265 V HA 0.614 4.743 4.120 0.015 0.000 0.314 265 V C -0.370 175.617 176.094 -0.178 0.000 1.138 265 V CA -1.075 61.119 62.300 -0.177 0.000 1.034 265 V CB 2.077 33.753 31.823 -0.245 0.000 1.075 265 V HN 0.230 nan 8.190 nan 0.000 0.442 266 V N 3.440 123.107 119.914 -0.412 0.000 2.349 266 V HA 0.495 4.624 4.120 0.015 0.000 0.284 266 V C -0.641 175.329 176.094 -0.207 0.000 1.014 266 V CA -0.230 61.956 62.300 -0.191 0.000 0.826 266 V CB 1.095 32.881 31.823 -0.061 0.000 1.009 266 V HN 0.674 nan 8.190 nan 0.000 0.431 267 I N 3.610 124.107 120.570 -0.121 0.000 2.362 267 I HA 0.444 4.623 4.170 0.015 0.000 0.289 267 I C 0.177 176.268 176.117 -0.044 0.000 0.994 267 I CA -0.432 60.816 61.300 -0.087 0.000 1.158 267 I CB 1.247 39.204 38.000 -0.071 0.000 1.315 267 I HN 0.569 nan 8.210 nan 0.000 0.451 268 D N 5.513 125.896 120.400 -0.027 0.000 2.697 268 D HA -0.179 4.470 4.640 0.015 0.000 0.235 268 D C 1.376 177.670 176.300 -0.011 0.000 1.167 268 D CA 1.621 55.615 54.000 -0.009 0.000 0.656 268 D CB -0.912 39.887 40.800 -0.002 0.000 1.025 268 D HN 1.134 nan 8.370 nan 0.000 0.419 269 G N -0.047 108.744 108.800 -0.015 0.000 2.189 269 G HA2 -0.358 3.611 3.960 0.015 0.000 0.267 269 G HA3 -0.358 3.611 3.960 0.015 0.000 0.267 269 G C 0.143 175.038 174.900 -0.010 0.000 0.975 269 G CA 0.909 46.004 45.100 -0.009 0.000 0.644 269 G HN 0.766 nan 8.290 nan 0.000 0.537 270 E N 0.067 120.257 120.200 -0.017 0.000 2.166 270 E HA 0.732 5.091 4.350 0.015 0.000 0.275 270 E C 0.160 176.750 176.600 -0.017 0.000 0.941 270 E CA -0.516 55.877 56.400 -0.013 0.000 0.784 270 E CB 1.725 31.419 29.700 -0.012 0.000 1.115 270 E HN 0.838 nan 8.360 nan 0.000 0.399 271 A N 3.321 126.138 122.820 -0.004 0.000 2.454 271 A HA 0.418 4.747 4.320 0.015 0.000 0.260 271 A C 0.036 177.618 177.584 -0.005 0.000 1.106 271 A CA 0.172 52.211 52.037 0.003 0.000 0.780 271 A CB 0.750 19.760 19.000 0.015 0.000 1.044 271 A HN 0.678 nan 8.150 nan 0.000 0.498 272 T N 0.937 115.485 114.554 -0.009 0.000 2.762 272 T HA 0.507 4.866 4.350 0.015 0.000 0.301 272 T C -1.549 173.147 174.700 -0.006 0.000 1.299 272 T CA -0.341 61.752 62.100 -0.012 0.000 1.005 272 T CB 1.192 70.049 68.868 -0.019 0.000 1.377 272 T HN 0.714 nan 8.240 nan 0.000 0.504 273 V N 3.912 123.822 119.914 -0.007 0.000 2.378 273 V HA 0.582 4.711 4.120 0.015 0.000 0.288 273 V C -0.520 175.577 176.094 0.005 0.000 1.016 273 V CA -0.749 61.551 62.300 0.001 0.000 0.840 273 V CB 1.104 32.915 31.823 -0.020 0.000 0.994 273 V HN 0.645 nan 8.190 nan 0.000 0.431 274 I N 3.153 123.741 120.570 0.030 0.000 2.797 274 I HA 0.854 5.033 4.170 0.015 0.000 0.307 274 I C 0.749 176.896 176.117 0.050 0.000 1.033 274 I CA -0.212 61.097 61.300 0.015 0.000 1.071 274 I CB 1.864 39.851 38.000 -0.022 0.000 1.255 274 I HN 0.681 nan 8.210 nan 0.000 0.445 275 G N 0.778 109.556 108.800 -0.037 0.000 3.259 275 G HA2 0.727 4.696 3.960 0.015 0.000 0.178 275 G HA3 0.727 4.696 3.960 0.015 0.000 0.178 275 G C -0.289 174.472 174.900 -0.231 0.000 1.129 275 G CA -0.395 44.627 45.100 -0.130 0.000 0.816 275 G HN 1.163 nan 8.290 nan 0.000 0.634 276 G N -2.192 106.292 108.800 -0.526 0.000 2.690 276 G HA2 0.241 4.210 3.960 0.015 0.000 0.686 276 G HA3 0.241 4.210 3.960 0.015 0.000 0.686 276 G C 0.865 175.611 174.900 -0.257 0.000 1.277 276 G CA 0.579 45.447 45.100 -0.387 0.000 0.799 276 G HN 1.795 nan 8.290 nan 0.000 0.613 277 T N -1.519 113.026 114.554 -0.015 0.000 3.007 277 T HA -0.031 4.328 4.350 0.015 0.000 0.270 277 T C 2.509 177.172 174.700 -0.061 0.000 1.107 277 T CA 2.091 64.195 62.100 0.008 0.000 1.118 277 T CB -0.320 68.625 68.868 0.128 0.000 0.889 277 T HN 1.294 nan 8.240 nan 0.000 0.506 278 S N 2.382 118.034 115.700 -0.079 0.000 2.413 278 S HA -0.145 4.334 4.470 0.015 0.000 0.237 278 S C 2.442 176.936 174.600 -0.177 0.000 1.044 278 S CA 1.242 59.363 58.200 -0.131 0.000 1.024 278 S CB -0.741 62.359 63.200 -0.168 0.000 0.829 278 S HN 0.841 nan 8.310 nan 0.000 0.475 279 A N 0.621 123.294 122.820 -0.245 0.000 2.021 279 A HA 0.203 4.532 4.320 0.015 0.000 0.216 279 A C 2.222 179.585 177.584 -0.367 0.000 1.163 279 A CA 0.677 52.472 52.037 -0.403 0.000 0.676 279 A CB -0.372 18.205 19.000 -0.705 0.000 0.818 279 A HN 0.369 nan 8.150 nan 0.000 0.453 280 V N -0.199 119.543 119.914 -0.286 0.000 2.488 280 V HA -0.130 3.999 4.120 0.015 0.000 0.246 280 V C 2.945 178.798 176.094 -0.403 0.000 1.046 280 V CA 1.555 63.608 62.300 -0.411 0.000 1.053 280 V CB -1.135 30.483 31.823 -0.341 0.000 0.679 280 V HN 0.544 nan 8.190 nan 0.000 0.458 281 A N 0.927 123.645 122.820 -0.170 0.000 1.858 281 A HA -0.082 4.247 4.320 0.015 0.000 0.216 281 A C 0.578 178.163 177.584 0.001 0.000 1.190 281 A CA 1.909 53.923 52.037 -0.038 0.000 0.617 281 A CB -1.886 17.124 19.000 0.017 0.000 0.827 281 A HN 0.526 nan 8.150 nan 0.000 0.443 282 P HA -0.161 nan 4.420 nan 0.000 0.215 282 P C 1.713 179.059 177.300 0.077 0.000 1.153 282 P CA 1.058 64.182 63.100 0.039 0.000 0.853 282 P CB -0.137 31.551 31.700 -0.019 0.000 0.788 283 L N -1.342 119.872 121.223 -0.015 0.000 1.970 283 L HA -0.171 4.178 4.340 0.015 0.000 0.212 283 L C 2.117 179.231 176.870 0.407 0.000 1.071 283 L CA 2.183 57.088 54.840 0.108 0.000 0.751 283 L CB -1.390 40.616 42.059 -0.088 0.000 0.889 283 L HN -0.162 nan 8.230 nan 0.000 0.432 284 F N 0.117 120.189 119.950 0.204 0.000 2.407 284 F HA 0.076 4.626 4.527 0.039 0.000 0.299 284 F C 2.540 178.380 175.800 0.066 0.000 1.097 284 F CA 0.395 58.471 58.000 0.126 0.000 1.422 284 F CB -1.810 37.232 39.000 0.070 0.000 1.067 284 F HN 0.244 nan 8.300 nan 0.000 0.539 285 A N 0.224 123.194 122.820 0.251 0.000 1.933 285 A HA -0.029 4.300 4.320 0.015 0.000 0.218 285 A C 2.509 180.180 177.584 0.145 0.000 1.175 285 A CA 1.723 53.854 52.037 0.156 0.000 0.628 285 A CB -1.079 18.001 19.000 0.133 0.000 0.814 285 A HN 0.263 nan 8.150 nan 0.000 0.444 286 A N -0.437 122.516 122.820 0.221 0.000 1.898 286 A HA 0.004 4.333 4.320 0.015 0.000 0.216 286 A C 2.113 179.780 177.584 0.138 0.000 1.181 286 A CA 1.634 53.806 52.037 0.225 0.000 0.620 286 A CB -0.605 18.600 19.000 0.340 0.000 0.819 286 A HN 0.745 nan 8.150 nan 0.000 0.442 287 L N 0.013 121.275 121.223 0.066 0.000 2.042 287 L HA -0.123 4.226 4.340 0.015 0.000 0.210 287 L C 2.315 179.068 176.870 -0.195 0.000 1.076 287 L CA 2.013 56.649 54.840 -0.340 0.000 0.749 287 L CB -0.567 41.079 42.059 -0.689 0.000 0.893 287 L HN 0.136 nan 8.230 nan 0.000 0.432 288 V N 0.101 119.963 119.914 -0.088 0.000 2.343 288 V HA -0.268 3.861 4.120 0.015 0.000 0.247 288 V C 2.809 178.867 176.094 -0.060 0.000 1.051 288 V CA 1.570 63.825 62.300 -0.077 0.000 1.036 288 V CB -1.265 30.537 31.823 -0.034 0.000 0.654 288 V HN 0.633 nan 8.190 nan 0.000 0.451 289 A N -0.171 122.629 122.820 -0.033 0.000 1.933 289 A HA -0.209 4.120 4.320 0.015 0.000 0.218 289 A C 2.379 179.943 177.584 -0.033 0.000 1.175 289 A CA 1.633 53.649 52.037 -0.034 0.000 0.628 289 A CB -0.463 18.518 19.000 -0.032 0.000 0.814 289 A HN 0.496 nan 8.150 nan 0.000 0.444 290 R N -0.640 119.842 120.500 -0.030 0.000 2.081 290 R HA -0.040 4.309 4.340 0.015 0.000 0.235 290 R C 1.992 178.261 176.300 -0.051 0.000 1.131 290 R CA 1.542 57.625 56.100 -0.028 0.000 0.960 290 R CB -0.480 29.806 30.300 -0.022 0.000 0.856 290 R HN 0.570 nan 8.270 nan 0.000 0.436 291 I N 1.242 121.763 120.570 -0.081 0.000 2.226 291 I HA -0.280 3.899 4.170 0.015 0.000 0.245 291 I C 1.743 177.823 176.117 -0.061 0.000 1.100 291 I CA 1.094 62.344 61.300 -0.084 0.000 1.374 291 I CB -0.343 37.590 38.000 -0.112 0.000 1.057 291 I HN 0.152 nan 8.210 nan 0.000 0.413 292 N N 0.625 119.292 118.700 -0.055 0.000 2.104 292 N HA -0.261 4.488 4.740 0.015 0.000 0.190 292 N C 1.767 177.256 175.510 -0.036 0.000 1.024 292 N CA 1.238 54.262 53.050 -0.044 0.000 0.853 292 N CB -0.447 38.016 38.487 -0.040 0.000 1.008 292 N HN 0.450 nan 8.380 nan 0.000 0.424 293 Q N 0.543 120.323 119.800 -0.033 0.000 2.124 293 Q HA -0.175 4.174 4.340 0.015 0.000 0.202 293 Q C 1.714 177.700 176.000 -0.024 0.000 0.977 293 Q CA 1.504 57.292 55.803 -0.025 0.000 0.850 293 Q CB 0.052 28.778 28.738 -0.019 0.000 0.901 293 Q HN 0.007 nan 8.270 nan 0.000 0.429 294 K N 0.657 121.039 120.400 -0.029 0.000 2.057 294 K HA -0.052 4.277 4.320 0.015 0.000 0.206 294 K C 1.847 178.429 176.600 -0.029 0.000 1.050 294 K CA 1.278 57.548 56.287 -0.028 0.000 0.935 294 K CB -0.306 32.173 32.500 -0.035 0.000 0.715 294 K HN 0.321 nan 8.250 nan 0.000 0.439 295 L N -0.972 120.231 121.223 -0.034 0.000 2.478 295 L HA 0.143 4.492 4.340 0.015 0.000 0.223 295 L C 1.293 178.147 176.870 -0.026 0.000 1.140 295 L CA 0.632 55.452 54.840 -0.033 0.000 0.842 295 L CB -0.483 41.552 42.059 -0.039 0.000 0.953 295 L HN 0.542 nan 8.230 nan 0.000 0.452 296 G N 0.799 109.584 108.800 -0.024 0.000 2.168 296 G HA2 -0.307 3.662 3.960 0.015 0.000 0.263 296 G HA3 -0.307 3.662 3.960 0.015 0.000 0.263 296 G C 0.217 175.105 174.900 -0.019 0.000 0.977 296 G CA 0.500 45.589 45.100 -0.019 0.000 0.659 296 G HN 0.396 nan 8.290 nan 0.000 0.533 297 K N -0.505 119.881 120.400 -0.022 0.000 2.532 297 K HA 0.680 5.009 4.320 0.015 0.000 0.265 297 K C -0.214 176.372 176.600 -0.025 0.000 0.948 297 K CA -0.280 55.994 56.287 -0.021 0.000 0.842 297 K CB 1.752 34.240 32.500 -0.020 0.000 1.392 297 K HN 0.652 nan 8.250 nan 0.000 0.436 298 A N 2.173 124.981 122.820 -0.021 0.000 2.409 298 A HA 0.204 4.533 4.320 0.015 0.000 0.267 298 A C 1.127 178.698 177.584 -0.022 0.000 1.127 298 A CA -0.292 51.732 52.037 -0.023 0.000 0.795 298 A CB 0.134 19.123 19.000 -0.018 0.000 1.061 298 A HN 0.620 nan 8.150 nan 0.000 0.502 299 V N 2.222 122.118 119.914 -0.031 0.000 2.667 299 V HA 0.317 4.446 4.120 0.015 0.000 0.252 299 V C 1.614 177.696 176.094 -0.020 0.000 1.065 299 V CA 1.314 63.592 62.300 -0.036 0.000 1.083 299 V CB -2.112 29.678 31.823 -0.056 0.000 0.692 299 V HN 2.326 nan 8.190 nan 0.000 0.468 300 G N 0.026 108.824 108.800 -0.004 0.000 2.556 300 G HA2 -0.393 3.576 3.960 0.015 0.000 0.283 300 G HA3 -0.393 3.576 3.960 0.015 0.000 0.283 300 G C -0.194 174.748 174.900 0.070 0.000 1.177 300 G CA 0.603 45.723 45.100 0.033 0.000 0.978 300 G HN 1.119 nan 8.290 nan 0.000 0.554 301 Y N 1.866 122.135 120.300 -0.052 0.000 2.537 301 Y HA 0.564 5.117 4.550 0.005 0.000 0.339 301 Y C 1.425 177.246 175.900 -0.131 0.000 1.066 301 Y CA -0.032 58.022 58.100 -0.077 0.000 1.357 301 Y CB 0.326 38.765 38.460 -0.036 0.000 1.175 301 Y HN 0.432 nan 8.280 nan 0.000 0.525 302 L N 4.535 125.525 121.223 -0.388 0.000 2.556 302 L HA 0.019 4.368 4.340 0.015 0.000 0.226 302 L C 1.524 178.017 176.870 -0.630 0.000 1.089 302 L CA 0.053 54.648 54.840 -0.408 0.000 0.864 302 L CB -0.043 41.886 42.059 -0.215 0.000 1.067 302 L HN 0.530 nan 8.230 nan 0.000 0.477 303 N N 0.826 118.903 118.700 -1.039 0.000 2.036 303 N HA -0.171 4.578 4.740 0.015 0.000 0.195 303 N C -0.936 173.934 175.510 -1.066 0.000 1.037 303 N CA 1.683 54.091 53.050 -1.070 0.000 0.855 303 N CB -1.473 36.069 38.487 -1.574 0.000 1.033 303 N HN 0.158 nan 8.380 nan 0.000 0.423 304 P HA -0.061 nan 4.420 nan 0.000 0.215 304 P C 1.254 178.385 177.300 -0.282 0.000 1.157 304 P CA 1.635 64.300 63.100 -0.724 0.000 0.868 304 P CB -0.145 31.201 31.700 -0.590 0.000 0.788 305 T N -0.144 114.242 114.554 -0.280 0.000 2.746 305 T HA -0.115 4.244 4.350 0.015 0.000 0.267 305 T C 1.750 176.420 174.700 -0.051 0.000 1.039 305 T CA 1.150 63.169 62.100 -0.134 0.000 1.142 305 T CB -1.008 67.773 68.868 -0.145 0.000 0.866 305 T HN 0.058 nan 8.240 nan 0.000 0.444 306 L N -0.570 120.616 121.223 -0.062 0.000 2.083 306 L HA -0.086 4.263 4.340 0.015 0.000 0.209 306 L C 2.003 178.889 176.870 0.028 0.000 1.083 306 L CA 1.359 56.216 54.840 0.029 0.000 0.752 306 L CB -0.569 41.452 42.059 -0.063 0.000 0.899 306 L HN 0.284 nan 8.230 nan 0.000 0.433 307 Y N 0.129 120.416 120.300 -0.022 0.000 2.529 307 Y HA -0.099 4.455 4.550 0.007 0.000 0.290 307 Y C 2.149 178.079 175.900 0.050 0.000 1.177 307 Y CA 0.323 58.445 58.100 0.037 0.000 1.305 307 Y CB -0.193 38.331 38.460 0.106 0.000 1.047 307 Y HN 0.387 nan 8.280 nan 0.000 0.522 308 Q N -1.344 118.542 119.800 0.144 0.000 2.214 308 Q HA 0.233 4.582 4.340 0.015 0.000 0.229 308 Q C -0.109 175.921 176.000 0.050 0.000 0.835 308 Q CA 0.173 56.021 55.803 0.076 0.000 0.953 308 Q CB -0.061 28.701 28.738 0.041 0.000 1.131 308 Q HN 0.261 nan 8.270 nan 0.000 0.501 309 L N 2.286 123.553 121.223 0.073 0.000 2.464 309 L HA 0.361 4.710 4.340 0.015 0.000 0.264 309 L C -1.864 175.044 176.870 0.063 0.000 1.199 309 L CA -2.235 52.633 54.840 0.047 0.000 0.818 309 L CB -0.014 42.067 42.059 0.037 0.000 1.102 309 L HN 0.051 nan 8.230 nan 0.000 0.473 310 P HA 0.015 nan 4.420 nan 0.000 0.268 310 P C 0.051 177.376 177.300 0.041 0.000 1.205 310 P CA -0.089 63.014 63.100 0.005 0.000 0.771 310 P CB 0.799 32.476 31.700 -0.038 0.000 0.858 311 A N 3.367 126.236 122.820 0.081 0.000 1.986 311 A HA -0.221 4.108 4.320 0.015 0.000 0.220 311 A C 1.439 179.079 177.584 0.093 0.000 1.171 311 A CA 2.022 54.148 52.037 0.149 0.000 0.640 311 A CB -1.173 17.880 19.000 0.089 0.000 0.811 311 A HN 0.654 nan 8.150 nan 0.000 0.451 312 D N -0.465 119.931 120.400 -0.007 0.000 2.363 312 D HA 0.016 4.665 4.640 0.015 0.000 0.226 312 D C 1.184 177.397 176.300 -0.145 0.000 1.020 312 D CA 0.698 54.672 54.000 -0.044 0.000 0.892 312 D CB -0.692 40.086 40.800 -0.037 0.000 0.900 312 D HN 0.220 nan 8.370 nan 0.000 0.531 313 V N -0.598 119.129 119.914 -0.312 0.000 2.759 313 V HA -0.035 4.093 4.120 0.015 0.000 0.256 313 V C 0.386 175.997 176.094 -0.804 0.000 1.080 313 V CA 0.962 62.863 62.300 -0.664 0.000 1.101 313 V CB -0.822 30.384 31.823 -1.030 0.000 0.698 313 V HN 0.089 nan 8.190 nan 0.000 0.477 314 F N -1.620 118.289 119.950 -0.068 0.000 2.546 314 F HA 0.480 5.014 4.527 0.011 0.000 0.320 314 F C 0.288 176.080 175.800 -0.015 0.000 1.076 314 F CA -0.999 56.961 58.000 -0.067 0.000 0.928 314 F CB 0.883 39.819 39.000 -0.106 0.000 1.189 314 F HN -0.137 nan 8.300 nan 0.000 0.465 315 H N 2.676 121.814 119.070 0.114 0.000 2.846 315 H HA 0.073 4.637 4.556 0.012 0.000 0.278 315 H C -0.923 174.444 175.328 0.064 0.000 1.117 315 H CA -0.414 55.680 56.048 0.077 0.000 1.406 315 H CB 0.523 30.331 29.762 0.077 0.000 1.445 315 H HN 0.576 nan 8.280 nan 0.000 0.469 316 D N 5.116 125.343 120.400 -0.288 0.000 2.401 316 D HA 0.039 4.688 4.640 0.015 0.000 0.254 316 D C -0.162 176.014 176.300 -0.206 0.000 1.192 316 D CA -0.217 53.667 54.000 -0.193 0.000 0.885 316 D CB 0.311 41.020 40.800 -0.151 0.000 1.147 316 D HN 0.428 nan 8.370 nan 0.000 0.478 317 I N 2.876 123.413 120.570 -0.055 0.000 2.395 317 I HA 0.126 4.305 4.170 0.015 0.000 0.289 317 I C 1.608 177.706 176.117 -0.032 0.000 1.023 317 I CA 0.171 61.473 61.300 0.004 0.000 1.350 317 I CB 1.565 39.591 38.000 0.043 0.000 1.409 317 I HN 0.456 nan 8.210 nan 0.000 0.507 318 T N 0.690 115.236 114.554 -0.013 0.000 3.043 318 T HA 0.258 4.616 4.350 0.015 0.000 0.272 318 T C 0.248 174.947 174.700 -0.001 0.000 0.990 318 T CA -0.358 61.732 62.100 -0.017 0.000 0.897 318 T CB -0.010 68.847 68.868 -0.018 0.000 1.111 318 T HN 0.566 nan 8.240 nan 0.000 0.529 319 E N 0.475 120.684 120.200 0.015 0.000 2.256 319 E HA 0.551 4.910 4.350 0.015 0.000 0.268 319 E C -0.148 176.469 176.600 0.028 0.000 0.877 319 E CA -0.444 55.969 56.400 0.022 0.000 0.757 319 E CB 1.381 31.100 29.700 0.032 0.000 1.183 319 E HN 0.493 nan 8.360 nan 0.000 0.418 320 G N 2.892 111.704 108.800 0.020 0.000 2.408 320 G HA2 -0.034 3.935 3.960 0.015 0.000 0.682 320 G HA3 -0.034 3.935 3.960 0.015 0.000 0.682 320 G C -1.340 173.565 174.900 0.009 0.000 1.303 320 G CA -0.413 44.699 45.100 0.021 0.000 0.966 320 G HN 0.959 nan 8.290 nan 0.000 0.560 321 N N -1.565 117.137 118.700 0.004 0.000 2.610 321 N HA 0.628 5.377 4.740 0.015 0.000 0.264 321 N C -0.128 175.376 175.510 -0.011 0.000 1.348 321 N CA -0.316 52.732 53.050 -0.003 0.000 0.819 321 N CB 1.421 39.900 38.487 -0.015 0.000 1.521 321 N HN 0.812 nan 8.380 nan 0.000 0.497 322 N N -0.596 118.102 118.700 -0.002 0.000 2.467 322 N HA 0.106 4.855 4.740 0.015 0.000 0.278 322 N C -1.270 174.231 175.510 -0.015 0.000 1.306 322 N CA -0.249 52.787 53.050 -0.024 0.000 0.905 322 N CB 0.047 38.538 38.487 0.006 0.000 1.236 322 N HN 0.620 nan 8.380 nan 0.000 0.509 323 D N 1.310 121.699 120.400 -0.019 0.000 2.347 323 D HA 0.166 4.815 4.640 0.015 0.000 0.235 323 D C 1.083 177.378 176.300 -0.008 0.000 1.149 323 D CA -0.506 53.500 54.000 0.010 0.000 0.850 323 D CB 0.953 41.753 40.800 0.000 0.000 1.061 323 D HN 0.461 nan 8.370 nan 0.000 0.487 324 I N 0.762 121.330 120.570 -0.004 0.000 4.154 324 I HA 0.381 4.560 4.170 0.015 0.000 0.334 324 I C 1.230 177.342 176.117 -0.007 0.000 1.371 324 I CA -0.416 60.868 61.300 -0.028 0.000 1.110 324 I CB 0.792 38.752 38.000 -0.067 0.000 1.085 324 I HN 0.209 nan 8.210 nan 0.000 0.398 325 A N 1.765 124.595 122.820 0.016 0.000 1.997 325 A HA 0.263 4.592 4.320 0.015 0.000 0.212 325 A C 0.707 178.290 177.584 -0.003 0.000 1.178 325 A CA 1.204 53.240 52.037 -0.001 0.000 0.698 325 A CB -0.395 18.590 19.000 -0.025 0.000 0.842 325 A HN 0.723 nan 8.150 nan 0.000 0.458 326 N N -2.982 115.729 118.700 0.018 0.000 3.364 326 N HA 0.313 5.062 4.740 0.015 0.000 0.294 326 N C -0.503 175.017 175.510 0.016 0.000 1.562 326 N CA -0.831 52.227 53.050 0.014 0.000 0.862 326 N CB 0.328 38.825 38.487 0.016 0.000 1.691 326 N HN -0.071 nan 8.380 nan 0.000 0.572 327 R N -0.674 119.832 120.500 0.010 0.000 2.391 327 R HA 0.344 4.693 4.340 0.015 0.000 0.249 327 R C 0.466 176.766 176.300 0.001 0.000 0.957 327 R CA 0.331 56.433 56.100 0.003 0.000 1.093 327 R CB -0.094 30.206 30.300 0.001 0.000 1.156 327 R HN 0.649 nan 8.270 nan 0.000 0.526 328 A N 0.688 123.514 122.820 0.009 0.000 2.167 328 A HA -0.097 4.232 4.320 0.015 0.000 0.214 328 A C 0.741 178.296 177.584 -0.048 0.000 1.151 328 A CA 0.261 52.294 52.037 -0.006 0.000 0.735 328 A CB 0.057 19.075 19.000 0.029 0.000 0.802 328 A HN 0.447 nan 8.150 nan 0.000 0.467 329 Q N -1.850 117.922 119.800 -0.046 0.000 2.475 329 Q HA -0.177 4.172 4.340 0.015 0.000 0.280 329 Q C -0.935 174.980 176.000 -0.142 0.000 1.234 329 Q CA 0.700 56.464 55.803 -0.066 0.000 0.873 329 Q CB -1.638 27.074 28.738 -0.044 0.000 1.256 329 Q HN 0.713 nan 8.270 nan 0.000 0.475 330 I N 1.185 121.601 120.570 -0.255 0.000 2.330 330 I HA 0.302 4.481 4.170 0.015 0.000 0.289 330 I C -0.039 175.730 176.117 -0.581 0.000 1.001 330 I CA -0.516 60.412 61.300 -0.620 0.000 1.193 330 I CB 0.541 37.890 38.000 -1.085 0.000 1.345 330 I HN 0.012 nan 8.210 nan 0.000 0.461 331 Y N 4.225 124.408 120.300 -0.195 0.000 2.488 331 Y HA 0.503 5.064 4.550 0.018 0.000 0.325 331 Y C 0.325 176.162 175.900 -0.106 0.000 1.204 331 Y CA -0.557 57.448 58.100 -0.158 0.000 1.229 331 Y CB 0.976 39.356 38.460 -0.133 0.000 1.274 331 Y HN 0.447 nan 8.280 nan 0.000 0.493 332 Q N 0.796 120.642 119.800 0.076 0.000 2.266 332 Q HA 0.707 5.056 4.340 0.015 0.000 0.261 332 Q C -0.861 175.141 176.000 0.002 0.000 0.985 332 Q CA -0.915 54.900 55.803 0.021 0.000 0.873 332 Q CB 1.677 30.419 28.738 0.008 0.000 1.306 332 Q HN 0.822 nan 8.270 nan 0.000 0.447 333 A N 1.218 124.028 122.820 -0.016 0.000 2.304 333 A HA 0.820 5.149 4.320 0.015 0.000 0.271 333 A C 0.084 177.651 177.584 -0.028 0.000 1.091 333 A CA 0.531 52.541 52.037 -0.045 0.000 0.812 333 A CB 0.652 19.631 19.000 -0.035 0.000 1.056 333 A HN 0.796 nan 8.150 nan 0.000 0.489 334 G N -0.729 108.047 108.800 -0.039 0.000 2.619 334 G HA2 0.602 4.571 3.960 0.015 0.000 0.305 334 G HA3 0.602 4.571 3.960 0.015 0.000 0.305 334 G C -3.451 171.440 174.900 -0.015 0.000 1.330 334 G CA -0.912 44.181 45.100 -0.013 0.000 0.789 334 G HN 0.495 nan 8.290 nan 0.000 0.487 335 P HA 0.427 nan 4.420 nan 0.000 0.267 335 P C 0.858 178.172 177.300 0.024 0.000 1.205 335 P CA 1.661 64.764 63.100 0.004 0.000 0.765 335 P CB 0.960 32.669 31.700 0.014 0.000 0.828 336 G N 2.298 111.107 108.800 0.014 0.000 2.553 336 G HA2 -0.242 3.727 3.960 0.015 0.000 0.242 336 G HA3 -0.242 3.727 3.960 0.015 0.000 0.242 336 G C -0.875 174.057 174.900 0.053 0.000 1.277 336 G CA -0.389 44.739 45.100 0.047 0.000 0.910 336 G HN 0.614 nan 8.290 nan 0.000 0.576 337 W N 2.657 123.923 121.300 -0.057 0.000 2.231 337 W HA 0.441 5.106 4.660 0.008 0.000 0.341 337 W C 0.596 177.099 176.519 -0.026 0.000 1.298 337 W CA 1.250 58.562 57.345 -0.054 0.000 1.266 337 W CB 0.290 29.759 29.460 0.015 0.000 1.172 337 W HN 0.965 nan 8.180 nan 0.000 0.568 338 D N 3.583 123.463 120.400 -0.867 0.000 2.583 338 D HA 0.352 5.001 4.640 0.015 0.000 0.248 338 D C -2.648 172.742 176.300 -1.516 0.000 1.209 338 D CA -1.849 51.675 54.000 -0.793 0.000 0.848 338 D CB 1.691 42.295 40.800 -0.327 0.000 1.431 338 D HN 0.038 nan 8.370 nan 0.000 0.436 339 P HA 0.236 nan 4.420 nan 0.000 0.255 339 P C -0.002 177.063 177.300 -0.392 0.000 1.427 339 P CA 0.053 62.742 63.100 -0.685 0.000 0.863 339 P CB -0.070 31.281 31.700 -0.582 0.000 1.444 340 C N -2.123 116.960 119.300 -0.363 0.000 2.478 340 C HA 0.119 4.588 4.460 0.015 0.000 0.397 340 C C 1.884 176.782 174.990 -0.154 0.000 1.360 340 C CA 1.174 60.094 59.018 -0.164 0.000 2.191 340 C CB -0.575 27.114 27.740 -0.084 0.000 2.654 340 C HN 0.287 nan 8.230 nan 0.000 0.548 341 T N -2.646 111.752 114.554 -0.259 0.000 3.087 341 T HA 0.477 4.836 4.350 0.015 0.000 0.283 341 T C 1.101 175.612 174.700 -0.315 0.000 0.956 341 T CA 1.035 63.022 62.100 -0.189 0.000 0.894 341 T CB 0.254 69.053 68.868 -0.115 0.000 1.160 341 T HN 0.833 nan 8.240 nan 0.000 0.532 342 G N 2.805 111.215 108.800 -0.650 0.000 2.611 342 G HA2 -0.325 3.644 3.960 0.015 0.000 0.301 342 G HA3 -0.325 3.644 3.960 0.015 0.000 0.301 342 G C 0.641 175.192 174.900 -0.582 0.000 1.233 342 G CA 0.335 44.927 45.100 -0.847 0.000 0.993 342 G HN 0.510 nan 8.290 nan 0.000 0.553 343 L N 2.490 123.494 121.223 -0.364 0.000 2.465 343 L HA 0.397 4.746 4.340 0.015 0.000 0.224 343 L C 1.846 178.488 176.870 -0.380 0.000 1.145 343 L CA 1.198 55.742 54.840 -0.493 0.000 0.834 343 L CB -1.067 40.331 42.059 -1.102 0.000 0.944 343 L HN 1.916 nan 8.230 nan 0.000 0.451 344 G N -0.579 108.069 108.800 -0.255 0.000 2.466 344 G HA2 -0.181 3.788 3.960 0.015 0.000 0.316 344 G HA3 -0.181 3.788 3.960 0.015 0.000 0.316 344 G C -0.427 174.452 174.900 -0.035 0.000 1.270 344 G CA -0.329 44.717 45.100 -0.089 0.000 0.982 344 G HN 0.225 nan 8.290 nan 0.000 0.506 345 S N 1.517 117.235 115.700 0.030 0.000 2.523 345 S HA 0.696 5.175 4.470 0.015 0.000 0.275 345 S C -1.996 172.552 174.600 -0.086 0.000 1.281 345 S CA -0.482 57.640 58.200 -0.130 0.000 1.050 345 S CB 1.885 64.879 63.200 -0.342 0.000 0.937 345 S HN 0.730 nan 8.310 nan 0.000 0.492 346 P HA 0.351 nan 4.420 nan 0.000 0.279 346 P C -0.842 176.371 177.300 -0.145 0.000 1.239 346 P CA -0.552 62.472 63.100 -0.126 0.000 0.789 346 P CB 0.522 32.007 31.700 -0.359 0.000 0.933 347 I N 2.389 122.874 120.570 -0.143 0.000 2.307 347 I HA 0.195 4.374 4.170 0.015 0.000 0.287 347 I C 1.913 177.965 176.117 -0.108 0.000 1.054 347 I CA -0.217 61.048 61.300 -0.058 0.000 1.218 347 I CB 0.680 38.651 38.000 -0.049 0.000 1.398 347 I HN 0.444 nan 8.210 nan 0.000 0.475 348 G N 5.058 113.837 108.800 -0.034 0.000 2.529 348 G HA2 -0.260 3.709 3.960 0.015 0.000 0.219 348 G HA3 -0.260 3.709 3.960 0.015 0.000 0.219 348 G C 1.492 176.326 174.900 -0.110 0.000 1.177 348 G CA 1.623 46.657 45.100 -0.110 0.000 0.773 348 G HN 0.572 nan 8.290 nan 0.000 0.573 349 V N -1.196 118.689 119.914 -0.048 0.000 2.667 349 V HA 0.019 4.148 4.120 0.015 0.000 0.252 349 V C 2.588 178.629 176.094 -0.088 0.000 1.065 349 V CA 1.903 64.171 62.300 -0.053 0.000 1.083 349 V CB -0.595 31.217 31.823 -0.019 0.000 0.692 349 V HN 0.340 nan 8.190 nan 0.000 0.468 350 R N -0.152 120.279 120.500 -0.115 0.000 2.119 350 R HA 0.149 4.498 4.340 0.015 0.000 0.222 350 R C 2.211 178.386 176.300 -0.207 0.000 1.088 350 R CA 1.184 57.192 56.100 -0.153 0.000 0.984 350 R CB -0.480 29.716 30.300 -0.173 0.000 0.884 350 R HN 0.453 nan 8.270 nan 0.000 0.447 351 L N 1.222 122.297 121.223 -0.246 0.000 2.017 351 L HA -0.116 4.233 4.340 0.015 0.000 0.208 351 L C 2.031 178.790 176.870 -0.184 0.000 1.073 351 L CA 1.500 56.182 54.840 -0.263 0.000 0.745 351 L CB -0.700 41.190 42.059 -0.283 0.000 0.894 351 L HN 0.110 nan 8.230 nan 0.000 0.432 352 L N -0.181 120.947 121.223 -0.159 0.000 2.013 352 L HA -0.279 4.070 4.340 0.015 0.000 0.212 352 L C 2.629 179.439 176.870 -0.101 0.000 1.073 352 L CA 2.418 57.186 54.840 -0.121 0.000 0.753 352 L CB -1.007 40.990 42.059 -0.103 0.000 0.890 352 L HN 0.629 nan 8.230 nan 0.000 0.432 353 Q N -0.738 119.003 119.800 -0.098 0.000 2.061 353 Q HA -0.247 4.102 4.340 0.015 0.000 0.204 353 Q C 2.080 178.029 176.000 -0.086 0.000 0.984 353 Q CA 2.173 57.927 55.803 -0.082 0.000 0.846 353 Q CB -0.340 28.351 28.738 -0.079 0.000 0.902 353 Q HN 0.645 nan 8.270 nan 0.000 0.421 354 A N 0.187 122.942 122.820 -0.110 0.000 2.070 354 A HA -0.098 4.231 4.320 0.015 0.000 0.220 354 A C 1.802 179.332 177.584 -0.090 0.000 1.159 354 A CA 1.058 53.032 52.037 -0.106 0.000 0.656 354 A CB -0.301 18.614 19.000 -0.141 0.000 0.800 354 A HN 0.473 nan 8.150 nan 0.000 0.453 355 L N -0.768 120.400 121.223 -0.092 0.000 2.585 355 L HA 0.242 4.591 4.340 0.015 0.000 0.226 355 L C 0.547 177.379 176.870 -0.064 0.000 1.113 355 L CA -0.418 54.374 54.840 -0.079 0.000 0.876 355 L CB -0.092 41.914 42.059 -0.088 0.000 1.072 355 L HN 0.257 nan 8.230 nan 0.000 0.468 356 L N 1.566 122.753 121.223 -0.061 0.000 2.483 356 L HA 0.042 4.390 4.340 0.015 0.000 0.277 356 L C -1.524 175.322 176.870 -0.042 0.000 1.248 356 L CA -1.232 53.579 54.840 -0.049 0.000 0.825 356 L CB -0.036 41.996 42.059 -0.046 0.000 1.096 356 L HN -0.036 nan 8.230 nan 0.000 0.512 357 P HA 0.315 nan 4.420 nan 0.000 0.276 357 P C -0.691 176.593 177.300 -0.027 0.000 1.264 357 P CA 0.195 63.277 63.100 -0.029 0.000 0.769 357 P CB 0.997 32.683 31.700 -0.025 0.000 0.840 358 S N 0.000 115.684 115.700 -0.027 0.000 2.498 358 S HA 0.000 4.479 4.470 0.015 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